#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 6.36 -0.27 1.61 1.04 -1.26 -4.80 113.70 116.38 1wwx s SER 2 Ca 0.00 -3.24 0.21 0.00 0.48 0.00 0.00 55.95 53.41 1wwx s SER 2 Cb 0.00 -2.05 0.50 0.00 0.10 0.00 0.00 66.02 64.57 1wwx s SER 2 CO 0.00 -0.35 1.08 -1.54 0.98 0.00 0.00 173.24 173.41 1wwx n SER 3 N 3.10 1.74 -0.17 7.02 3.41 -1.26 -5.13 113.62 122.33 1wwx n SER 3 Ca 0.17 -2.25 0.02 0.00 -0.26 0.00 0.00 58.87 56.56 1wwx n SER 3 Cb 0.40 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.51 -1.48 0.24 5.00 0.00 -1.26 -4.43 105.19 102.75 1wwx n GLY 4 Ca 0.09 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 1wwx n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wwx h SER 5 N -0.16 0.62 -3.20 1.61 4.64 -2.00 -3.45 113.55 111.60 1wwx h SER 5 Ca 0.00 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1wwx h SER 5 Cb 0.16 -0.17 -0.25 0.00 -0.31 0.00 0.00 62.40 61.82 1wwx h SER 5 CO 0.00 0.90 0.35 -0.44 -0.87 0.00 0.00 176.83 176.77 1wwx s SER 6 N -6.82 -0.56 0.00 4.97 0.01 -1.26 -5.17 113.70 104.87 1wwx s SER 6 Ca -0.08 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1wwx s SER 6 Cb 0.13 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1wwx s SER 6 CO 0.82 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.91 1wwx n GLY 7 N 2.75 4.57 3.24 3.44 0.00 -1.26 -5.16 105.19 112.77 1wwx n GLY 7 Ca -0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 0.70 -0.06 1.61 0.01 -1.26 -4.96 113.70 109.74 1wwx s SER 8 Ca 0.00 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1wwx s SER 8 Cb 0.00 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 1wwx s SER 8 CO 0.00 -0.75 -0.05 -1.20 0.41 0.00 0.00 173.24 171.65 1wwx n SER 9 N -0.32 3.27 -4.69 2.44 7.64 -1.26 -4.88 113.62 115.83 1wwx n SER 9 Ca -0.01 -0.02 -0.39 0.00 1.01 0.00 0.00 58.87 59.46 1wwx n SER 9 Cb 0.65 -0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 1wwx n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wwx s HIS 10 N -2.12 3.45 0.09 1.43 3.76 -1.26 -4.99 115.29 115.66 1wwx s HIS 10 Ca -0.08 0.90 -0.31 0.00 -0.15 0.00 0.00 55.06 55.42 1wwx s HIS 10 Cb 0.02 -2.66 -0.14 0.00 1.11 0.00 0.00 32.58 30.91 1wwx s HIS 10 CO 0.13 0.01 1.62 1.25 -0.85 0.00 0.00 174.74 176.90 1wwx h LEU 11 N 7.37 -0.90 -1.49 0.89 5.85 -1.99 -1.79 115.31 123.25 1wwx h LEU 11 Ca -0.37 0.08 0.49 0.00 0.84 0.00 0.00 57.88 58.92 1wwx h LEU 11 Cb 1.17 0.30 -0.13 0.00 0.37 0.00 0.00 40.66 42.37 1wwx h LEU 11 CO 0.75 -0.48 0.97 4.11 -0.34 0.00 0.00 178.44 183.45 1wwx h TRP 12 N -0.72 0.43 -0.03 1.25 5.08 -1.96 1.64 115.95 121.64 1wwx h TRP 12 Ca -0.03 0.02 -0.25 0.00 1.08 0.00 0.00 58.89 59.71 1wwx h TRP 12 Cb 0.64 -0.10 0.01 0.00 -3.00 0.00 0.00 29.16 26.72 1wwx h TRP 12 CO -0.18 -0.24 -0.97 0.93 -1.28 0.00 0.00 178.44 176.69 1wwx h GLU 13 N 0.01 0.65 0.23 0.12 5.08 -1.75 -2.11 114.58 116.81 1wwx h GLU 13 Ca 0.89 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1wwx h GLU 13 Cb 2.98 0.18 0.00 0.00 0.50 0.00 0.00 28.75 32.41 1wwx h GLU 13 CO -0.40 1.26 -0.11 0.35 -1.00 0.00 0.00 179.01 179.11 1wwx h PHE 14 N 0.38 -0.28 -0.48 4.33 3.04 0.28 0.15 116.94 124.35 1wwx h PHE 14 Ca -0.10 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.80 1wwx h PHE 14 Cb 1.62 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 40.20 1wwx h PHE 14 CO 0.09 -0.02 0.12 -0.24 -2.02 0.00 0.00 178.31 176.24 1wwx h VAL 15 N -0.52 1.21 -0.09 1.41 3.04 -1.22 -2.77 116.25 117.31 1wwx h VAL 15 Ca -0.03 -0.74 -0.03 0.00 -1.01 0.00 0.00 66.70 64.89 1wwx h VAL 15 Cb 0.39 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1wwx h VAL 15 CO 0.05 0.27 -0.07 -0.09 -1.01 0.00 0.00 177.57 176.73 1wwx h ARG 16 N 0.71 0.21 -0.80 4.17 2.43 -1.27 -3.04 114.38 116.79 1wwx h ARG 16 Ca 0.16 -0.10 0.18 0.00 -0.81 0.00 0.00 59.98 59.41 1wwx h ARG 16 Cb 0.26 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1wwx h ARG 16 CO -0.00 0.60 0.54 0.22 -1.51 0.00 0.00 179.97 179.82 1wwx h ASP 17 N -0.19 0.31 -0.29 -3.80 1.82 -0.55 -0.74 116.42 112.99 1wwx h ASP 17 Ca 0.02 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1wwx h ASP 17 Cb 0.56 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1wwx h ASP 17 CO 0.02 0.14 0.10 -0.07 -1.61 0.00 0.00 179.24 177.83 1wwx h LEU 18 N 0.32 0.40 -1.90 2.28 3.38 -1.38 0.35 115.31 118.77 1wwx h LEU 18 Ca 0.40 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1wwx h LEU 18 Cb 1.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1wwx h LEU 18 CO -0.12 0.48 0.08 -0.07 0.09 0.00 0.00 178.44 178.90 1wwx h LEU 19 N 0.31 0.11 0.00 1.67 3.38 -1.11 -0.74 115.31 118.93 1wwx h LEU 19 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wwx h LEU 19 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wwx h LEU 19 CO -0.01 0.08 -0.87 0.18 0.09 0.00 0.00 178.44 177.92 1wwx n LEU 20 N -4.52 0.68 -4.02 1.67 4.77 -0.97 -4.54 117.00 110.07 1wwx n LEU 20 Ca -0.01 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 1wwx n LEU 20 Cb 0.11 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1wwx n LEU 20 CO 0.34 -0.04 0.16 -0.44 -1.33 0.00 0.00 177.39 176.08 1wwx s SER 21 N -4.33 5.44 0.00 -1.43 0.01 0.12 -4.89 113.70 108.62 1wwx s SER 21 Ca 0.04 -3.70 0.15 0.00 1.31 0.00 0.00 55.95 53.75 1wwx s SER 21 Cb 0.13 -1.79 0.86 0.00 0.21 0.00 0.00 66.02 65.43 1wwx s SER 21 CO 0.77 -0.16 1.37 -0.81 0.41 0.00 0.00 173.24 174.82 1wwx n PRO 22 N 2.29 0.38 0.05 12.44 -0.04 -1.24 -2.00 135.00 146.87 1wwx n PRO 22 Ca 0.19 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1wwx n PRO 22 Cb 0.36 -1.50 -0.07 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 -3.39 114.58 114.91 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 0.06 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1wwx h GLU 23 CO 0.00 0.32 -2.39 0.39 -1.00 0.00 0.00 179.01 176.33 1wwx n GLU 24 N -2.94 0.60 -2.37 2.33 -0.58 -0.95 -4.95 120.64 111.77 1wwx n GLU 24 Ca -0.08 0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 1wwx n GLU 24 Cb 0.82 -1.47 -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 -6.51 7.06 -0.61 1.62 2.47 -0.85 -5.00 114.94 113.12 1wwx s ASN 25 Ca -0.33 2.15 0.01 0.00 0.42 0.00 0.00 52.86 55.11 1wwx s ASN 25 Cb 0.09 -2.59 0.15 0.00 -1.45 0.00 0.00 41.25 37.45 1wwx s ASN 25 CO 0.54 -0.44 0.40 0.00 -3.72 0.00 0.00 177.10 173.88 1wwx n GLY 27 N 3.04 -0.38 0.09 0.00 0.00 -1.26 -4.83 105.19 101.85 1wwx n GLY 27 Ca 0.09 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.36 1.48 -4.14 -0.61 5.41 -1.26 -4.36 119.36 111.53 1wwx n ILE 28 Ca -0.00 -0.82 -0.11 0.00 1.00 0.00 0.00 62.75 62.81 1wwx n ILE 28 Cb 0.53 -0.74 -0.09 0.00 -0.71 0.00 0.00 39.64 38.63 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 -5.78 1.23 0.02 1.39 1.43 -1.26 -1.54 118.68 114.17 1wwx s LEU 29 Ca -0.07 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1wwx s LEU 29 Cb 0.07 0.57 -0.02 0.00 0.03 0.00 0.00 46.19 46.85 1wwx s LEU 29 CO 0.83 -0.84 -0.03 -1.83 0.23 0.00 0.00 176.35 174.71 1wwx s GLU 30 N -4.09 0.25 -0.63 1.70 -1.05 -0.90 -4.85 118.70 109.13 1wwx s GLU 30 Ca 0.31 -0.47 -0.23 0.00 -0.15 0.00 0.00 54.97 54.43 1wwx s GLU 30 Cb 0.06 0.06 0.06 0.00 -0.44 0.00 0.00 34.13 33.87 1wwx s GLU 30 CO 0.08 -0.03 0.98 -1.58 0.95 0.00 0.00 175.26 175.65 1wwx s TRP 31 N -1.10 2.68 0.10 4.83 0.23 -1.26 -2.06 118.94 122.36 1wwx s TRP 31 Ca -0.12 -0.31 0.08 0.00 -2.03 0.00 0.00 56.10 53.72 1wwx s TRP 31 Cb -0.08 -4.23 -0.20 0.00 0.03 0.00 0.00 33.47 28.99 1wwx s TRP 31 CO -0.01 -1.57 1.25 0.93 0.96 0.00 0.00 176.95 178.51 1wwx h GLU 32 N 9.51 0.00 -0.90 4.98 4.39 -1.44 -3.44 114.58 127.68 1wwx h GLU 32 Ca -0.28 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.50 1wwx h GLU 32 Cb 1.07 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.51 1wwx h GLU 32 CO 1.15 0.96 -0.28 -0.51 -1.16 0.00 0.00 179.01 179.17 1wwx s ASP 33 N -6.67 -1.38 0.16 1.42 1.01 -0.39 -4.92 116.67 105.90 1wwx s ASP 33 Ca 0.01 0.43 -0.12 0.00 0.71 0.00 0.00 52.55 53.58 1wwx s ASP 33 Cb 0.10 1.98 0.03 0.00 1.01 0.00 0.00 42.92 46.04 1wwx s ASP 33 CO 0.82 -0.25 1.62 0.03 0.21 0.00 0.00 175.17 177.60 1wwx h ARG 34 N 7.94 0.92 0.42 8.23 2.47 -1.86 1.27 114.38 133.78 1wwx h ARG 34 Ca -0.10 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 1wwx h ARG 34 Cb 1.18 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1wwx h ARG 34 CO 0.15 0.93 -0.20 0.93 0.56 0.00 0.00 179.97 182.34 1wwx h GLU 35 N 0.80 -0.55 0.00 0.04 4.39 -1.96 -3.03 114.58 114.27 1wwx h GLU 35 Ca 0.15 0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 1wwx h GLU 35 Cb 0.50 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1wwx h GLU 35 CO 0.02 -0.31 -0.49 1.96 -1.16 0.00 0.00 179.01 179.04 1wwx h GLN 36 N -0.67 0.00 0.00 2.33 4.20 -1.97 -3.48 115.11 115.52 1wwx h GLN 36 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1wwx h GLN 36 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1wwx h GLN 36 CO 0.09 0.49 0.00 0.41 -0.67 0.00 0.00 178.83 179.16 1wwx n GLY 37 N 0.62 0.72 3.78 3.46 0.00 0.42 -4.73 105.19 109.46 1wwx n GLY 37 Ca 0.00 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 4.64 0.05 -0.61 1.01 0.11 -3.08 121.20 121.33 1wwx s ILE 38 Ca 0.00 1.45 -0.04 0.00 0.00 0.00 0.00 60.65 62.06 1wwx s ILE 38 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1wwx s ILE 38 CO 0.00 0.49 0.04 0.72 0.00 0.00 0.00 174.94 176.20 1wwx s PHE 39 N -0.80 0.35 0.02 3.97 -0.71 -0.01 -1.06 117.98 119.76 1wwx s PHE 39 Ca 0.33 -0.81 0.08 0.00 -1.04 0.00 0.00 56.93 55.50 1wwx s PHE 39 Cb -0.21 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.33 1wwx s PHE 39 CO 0.22 -0.40 -0.25 0.50 -1.34 0.00 0.00 175.22 173.95 1wwx s ARG 40 N -3.46 1.94 -1.06 1.99 3.52 -0.88 -1.04 118.95 119.96 1wwx s ARG 40 Ca 0.02 -1.03 -0.18 0.00 -0.13 0.00 0.00 55.73 54.42 1wwx s ARG 40 Cb 0.04 -2.03 0.13 0.00 -1.56 0.00 0.00 34.95 31.53 1wwx s ARG 40 CO -0.08 0.53 1.32 0.08 -0.81 0.00 0.00 175.30 176.34 1wwx s VAL 41 N -0.76 4.67 0.13 7.11 1.01 0.01 -2.11 120.40 130.46 1wwx s VAL 41 Ca 0.12 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.04 1wwx s VAL 41 Cb -0.10 -4.90 -0.01 0.00 0.00 0.00 0.00 36.38 31.37 1wwx s VAL 41 CO 0.01 -1.65 1.69 0.58 0.00 0.00 0.00 175.10 175.74 1wwx h VAL 42 N 5.55 0.73 -3.44 2.92 2.07 -1.59 -3.30 116.25 119.19 1wwx h VAL 42 Ca 0.24 0.00 -0.70 0.00 0.82 0.00 0.00 66.70 67.06 1wwx h VAL 42 Cb 0.96 0.73 -0.35 0.00 -1.52 0.00 0.00 31.29 31.10 1wwx h VAL 42 CO 1.22 0.00 -0.24 -0.54 0.02 0.00 0.00 177.57 178.03 1wwx s LYS 43 N -6.19 2.90 0.38 1.57 1.02 -0.66 -4.89 119.74 113.87 1wwx s LYS 43 Ca -0.14 -2.91 0.27 0.00 0.02 0.00 0.00 55.97 53.22 1wwx s LYS 43 Cb 0.11 -3.83 1.32 0.00 -0.52 0.00 0.00 37.83 34.90 1wwx s LYS 43 CO 0.69 -1.22 1.82 0.66 -0.92 0.00 0.00 175.35 176.37 1wwx h SER 44 N 6.51 0.00 0.00 2.83 4.64 -1.85 -0.80 113.55 124.88 1wwx h SER 44 Ca 0.07 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1wwx h SER 44 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1wwx h SER 44 CO 0.77 0.00 -0.47 -0.33 -0.87 0.00 0.00 176.83 175.93 1wwx h GLU 45 N 0.00 0.00 -0.03 4.77 4.39 -1.93 -3.28 114.58 118.49 1wwx h GLU 45 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1wwx h GLU 45 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1wwx h GLU 45 CO 0.00 0.66 -0.25 0.00 -1.16 0.00 0.00 179.01 178.26 1wwx h ALA 46 N -0.49 1.53 -0.07 3.43 0.00 -1.93 -2.30 119.26 119.43 1wwx h ALA 46 Ca -0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1wwx h ALA 46 Cb 0.83 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wwx h ALA 46 CO -0.07 0.35 0.04 1.25 0.00 0.00 0.00 179.25 180.82 1wwx h LEU 47 N 0.05 0.08 0.07 0.00 5.85 -1.30 -1.02 115.31 119.04 1wwx h LEU 47 Ca 0.01 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1wwx h LEU 47 Cb 0.47 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1wwx h LEU 47 CO 0.03 0.09 -0.03 0.00 -0.34 0.00 0.00 178.44 178.19 1wwx h ALA 48 N 0.99 -0.09 -0.48 1.25 0.00 -1.58 -1.93 119.26 117.42 1wwx h ALA 48 Ca 0.02 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1wwx h ALA 48 Cb 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1wwx h ALA 48 CO -0.00 -0.38 -0.15 0.87 0.00 0.00 0.00 179.25 179.59 1wwx h LYS 49 N -0.44 -0.04 -0.08 0.00 1.57 -1.38 0.66 116.57 116.87 1wwx h LYS 49 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wwx h LYS 49 Cb 0.38 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1wwx h LYS 49 CO 0.01 -0.03 0.05 0.52 -0.57 0.00 0.00 179.45 179.44 1wwx h MET 50 N -0.04 0.11 -0.51 3.15 2.86 -1.19 -2.84 114.93 116.47 1wwx h MET 50 Ca 0.23 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.95 1wwx h MET 50 Cb 0.39 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 1wwx h MET 50 CO -0.52 0.10 0.10 2.35 1.06 0.00 0.00 176.91 180.01 1wwx h TRP 51 N 0.08 0.17 -0.62 -0.22 -0.00 -0.48 -1.94 115.95 112.94 1wwx h TRP 51 Ca 0.03 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 59.06 1wwx h TRP 51 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 29.16 29.10 1wwx h TRP 51 CO -0.06 -0.01 0.16 0.78 -0.00 0.00 0.00 178.44 179.31 1wwx h GLY 52 N 0.24 0.82 0.74 2.65 0.00 -0.68 0.89 103.07 107.73 1wwx h GLY 52 Ca 0.25 -0.06 0.18 0.00 0.00 0.00 0.00 47.33 47.71 1wwx h GLY 52 CO -0.33 -0.10 0.46 1.46 0.00 0.00 0.00 176.54 178.03 1wwx h GLN 53 N 0.30 0.06 -0.09 4.80 1.08 -1.15 1.28 115.11 121.39 1wwx h GLN 53 Ca 0.32 -0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.28 1wwx h GLN 53 Cb 0.47 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1wwx h GLN 53 CO -0.39 0.04 -0.89 0.00 -0.95 0.00 0.00 178.83 176.64 1wwx h ARG 54 N 0.06 0.76 -0.31 1.46 2.47 -0.74 -3.17 114.38 114.91 1wwx h ARG 54 Ca 0.31 -0.70 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1wwx h ARG 54 Cb 1.15 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1wwx h ARG 54 CO -0.02 1.29 0.00 1.63 0.56 0.00 0.00 179.97 183.43 1wwx n LYS 55 N -3.90 2.18 -2.37 0.04 5.02 -0.03 -4.87 118.16 114.23 1wwx n LYS 55 Ca -0.09 -1.79 -0.21 0.00 -2.02 0.00 0.00 58.31 54.20 1wwx n LYS 55 Cb 0.81 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 1wwx n LYS 55 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wwx n LYS 56 N 1.00 -1.67 -3.22 1.97 5.02 0.42 -4.92 118.16 116.76 1wwx n LYS 56 Ca 0.18 1.02 -0.45 0.00 -2.02 0.00 0.00 58.31 57.04 1wwx n LYS 56 Cb 0.49 -5.68 -0.01 0.00 -0.02 0.00 0.00 35.03 29.81 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 -2.08 6.97 0.61 4.39 3.84 0.18 -4.86 114.94 124.01 1wwx s ASN 57 Ca 0.00 -2.94 0.29 0.00 0.21 0.00 0.00 52.86 50.42 1wwx s ASN 57 Cb 0.00 -2.26 1.55 0.00 -0.55 0.00 0.00 41.25 39.99 1wwx s ASN 57 CO 0.00 -0.58 1.86 -0.78 -2.79 0.00 0.00 177.10 174.82 1wwx h ASP 58 N 7.49 0.00 -0.86 -4.21 1.82 -1.91 0.29 116.42 119.04 1wwx h ASP 58 Ca 0.17 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 56.33 1wwx h ASP 58 Cb 0.96 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 40.70 1wwx h ASP 58 CO 0.96 0.00 0.49 0.54 -1.61 0.00 0.00 179.24 179.62 1wwx n ARG 59 N -2.77 2.29 -2.69 0.28 5.12 -1.26 -4.98 116.66 112.65 1wwx n ARG 59 Ca -0.02 -3.15 -0.42 0.00 -1.93 0.00 0.00 57.85 52.34 1wwx n ARG 59 Cb 0.34 -2.13 -0.04 0.00 -1.16 0.00 0.00 32.46 29.48 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 -3.40 4.60 -0.16 5.56 1.75 0.10 -4.98 119.30 122.77 1wwx s MET 60 Ca 0.56 1.47 -0.14 0.00 -1.25 0.00 0.00 55.69 56.32 1wwx s MET 60 Cb 0.47 -3.42 0.04 0.00 2.84 0.00 0.00 34.83 34.77 1wwx s MET 60 CO 0.06 0.04 0.43 -0.08 -0.65 0.00 0.00 175.02 174.82 1wwx s THR 61 N 0.60 -0.00 0.42 10.11 -1.32 -1.26 -4.44 115.64 119.74 1wwx s THR 61 Ca 0.50 0.01 0.31 0.00 -1.21 0.00 0.00 61.69 61.31 1wwx s THR 61 Cb -0.23 -0.61 0.49 0.00 -1.51 0.00 0.00 72.50 70.64 1wwx s THR 61 CO 0.29 0.01 1.49 0.00 -2.21 0.00 0.00 174.62 174.19 1wwx n TYR 62 N 3.05 0.65 -0.19 9.09 9.36 -1.26 0.15 117.16 138.01 1wwx n TYR 62 Ca -0.15 0.65 -0.03 0.00 3.32 0.00 0.00 57.90 61.70 1wwx n TYR 62 Cb 0.57 -1.09 0.07 0.00 -0.63 0.00 0.00 39.34 38.26 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 0.54 0.19 2.98 4.81 -1.95 0.73 114.58 121.88 1wwx h GLU 63 Ca 0.84 -0.03 -0.35 0.00 -0.13 0.00 0.00 59.36 59.69 1wwx h GLU 63 Cb 2.73 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 32.00 1wwx h GLU 63 CO -0.43 0.36 -1.73 0.87 -0.73 0.00 0.00 179.01 177.35 1wwx h LYS 64 N 0.56 0.41 -0.58 1.92 1.57 0.11 -3.36 116.57 117.19 1wwx h LYS 64 Ca 0.25 -0.70 0.07 0.00 -1.87 0.00 0.00 60.65 58.41 1wwx h LYS 64 Cb 0.16 0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1wwx h LYS 64 CO -0.17 1.33 0.26 1.25 -0.57 0.00 0.00 179.45 181.55 1wwx h LEU 65 N 0.11 0.33 -1.75 2.94 6.46 -0.53 -0.66 115.31 122.21 1wwx h LEU 65 Ca -0.34 0.05 0.25 0.00 -0.12 0.00 0.00 57.88 57.72 1wwx h LEU 65 Cb 2.11 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.99 1wwx h LEU 65 CO 0.19 0.21 0.65 0.77 -0.62 0.00 0.00 178.44 179.63 1wwx h SER 66 N 0.48 0.19 -0.96 1.25 4.64 -1.00 -0.22 113.55 117.94 1wwx h SER 66 Ca 0.28 0.03 0.27 0.00 -0.47 0.00 0.00 61.79 61.89 1wwx h SER 66 Cb 0.27 -0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 62.21 1wwx h SER 66 CO -0.24 0.06 0.49 0.08 -0.87 0.00 0.00 176.83 176.35 1wwx h ARG 67 N 0.18 0.37 -0.01 4.77 0.11 -1.27 0.59 114.38 119.12 1wwx h ARG 67 Ca 0.47 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 60.35 1wwx h ARG 67 Cb 1.55 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.53 1wwx h ARG 67 CO -0.10 0.25 -0.80 0.00 0.10 0.00 0.00 179.97 179.42 1wwx h ALA 68 N 1.78 0.63 -0.22 0.08 0.00 -1.18 -2.05 119.26 118.31 1wwx h ALA 68 Ca 0.65 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1wwx h ALA 68 Cb 1.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1wwx h ALA 68 CO -0.57 0.88 -0.15 -0.07 0.00 0.00 0.00 179.25 179.34 1wwx h LEU 69 N 0.10 0.36 0.00 0.00 3.38 0.10 -0.72 115.31 118.53 1wwx h LEU 69 Ca -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1wwx h LEU 69 Cb 1.39 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1wwx h LEU 69 CO 0.12 0.54 -0.86 0.03 0.09 0.00 0.00 178.44 178.36 1wwx h ARG 70 N 0.35 0.00 0.00 1.13 2.47 -1.08 -3.31 114.38 113.94 1wwx h ARG 70 Ca 0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1wwx h ARG 70 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1wwx h ARG 70 CO 0.03 0.06 -0.49 -0.92 0.56 0.00 0.00 179.97 179.21 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 5.03 -0.95 -3.27 116.97 120.82 1wwx h TYR 71 Ca -0.02 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.19 1wwx h TYR 71 Cb 1.09 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.36 1wwx h TYR 71 CO 0.00 0.14 -0.46 1.88 -1.32 0.00 0.00 178.16 178.41 1wwx h TYR 72 N 0.00 0.00 -0.17 -3.82 0.05 -1.23 -2.89 116.97 108.91 1wwx h TYR 72 Ca -0.02 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.81 1wwx h TYR 72 Cb 1.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 1wwx h TYR 72 CO 0.00 0.46 0.14 1.88 -1.05 0.00 0.00 178.16 179.59 1wwx h TYR 73 N 0.00 0.00 -0.33 4.88 0.05 -1.71 0.57 116.97 120.43 1wwx h TYR 73 Ca -0.00 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1wwx h TYR 73 Cb 0.88 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1wwx h TYR 73 CO 0.00 0.00 -0.32 0.87 -1.05 0.00 0.00 178.16 177.66 1wwx h LYS 74 N 0.00 0.71 0.00 4.88 1.57 -1.71 -3.13 116.57 118.88 1wwx h LYS 74 Ca 0.08 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1wwx h LYS 74 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1wwx h LYS 74 CO -0.00 0.94 -1.33 0.25 -0.57 0.00 0.00 179.45 178.73 1wwx n THR 75 N -4.07 0.97 0.00 -0.16 -2.24 -0.31 -4.98 114.28 103.49 1wwx n THR 75 Ca -0.01 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1wwx n THR 75 Cb 0.49 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 1.33 2.75 0.31 3.38 0.00 0.18 -4.81 105.19 108.33 1wwx n GLY 76 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.12 1wwx n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwx n ILE 77 N -0.92 -0.38 -4.09 -0.61 2.08 -1.05 -3.52 119.36 110.86 1wwx n ILE 77 Ca 0.00 1.97 -0.23 0.00 0.56 0.00 0.00 62.75 65.05 1wwx n ILE 77 Cb 0.00 -2.95 -0.06 0.00 -0.75 0.00 0.00 39.64 35.88 1wwx n ILE 77 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wwx s LEU 78 N -10.55 3.23 -0.16 1.39 1.43 -1.24 -0.01 118.68 112.78 1wwx s LEU 78 Ca -0.11 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1wwx s LEU 78 Cb 0.28 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1wwx s LEU 78 CO 0.71 -0.34 -0.21 -1.61 0.23 0.00 0.00 176.35 175.13 1wwx s GLU 79 N -3.86 3.02 0.00 1.70 0.41 0.16 -4.27 118.70 115.86 1wwx s GLU 79 Ca 0.38 -0.84 -0.35 0.00 -0.41 0.00 0.00 54.97 53.76 1wwx s GLU 79 Cb -0.02 -2.50 -0.14 0.00 -1.78 0.00 0.00 34.13 29.70 1wwx s GLU 79 CO 0.23 -0.09 1.68 -2.13 -0.49 0.00 0.00 175.26 174.46 1wwx n ARG 80 N 4.28 1.91 -5.06 1.61 3.00 -1.26 -4.08 116.66 117.07 1wwx n ARG 80 Ca -0.20 0.69 -0.28 0.00 -0.00 0.00 0.00 57.85 58.06 1wwx n ARG 80 Cb 0.51 -2.46 -0.16 0.00 0.00 0.00 0.00 32.46 30.35 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 2.38 1.71 -0.44 5.15 1.01 -1.26 -5.01 120.40 123.93 1wwx s VAL 81 Ca 0.87 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1wwx s VAL 81 Cb -0.77 -1.43 0.64 0.00 0.00 0.00 0.00 36.38 34.82 1wwx s VAL 81 CO 0.48 0.48 1.87 0.47 0.00 0.00 0.00 175.10 178.40 1wwx n ASP 82 N 2.72 3.84 -4.84 3.32 9.92 -1.26 -4.96 116.55 125.28 1wwx n ASP 82 Ca -0.16 -3.64 -0.26 0.00 -0.53 0.00 0.00 54.79 50.19 1wwx n ASP 82 Cb 0.52 -0.82 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 1wwx n ASP 82 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wwx s ARG 83 N -3.33 2.26 -0.22 -1.24 0.52 -1.26 -5.10 118.95 110.59 1wwx s ARG 83 Ca 0.56 -2.00 -0.25 0.00 -0.52 0.00 0.00 55.73 53.52 1wwx s ARG 83 Cb 0.47 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.93 1wwx s ARG 83 CO 0.09 -0.43 0.84 0.50 0.02 0.00 0.00 175.30 176.32 1wwx s ARG 84 N -4.12 4.23 -1.81 3.54 6.06 -1.26 -4.04 118.95 121.55 1wwx s ARG 84 Ca 0.32 1.00 -0.21 0.00 -2.50 0.00 0.00 55.73 54.34 1wwx s ARG 84 Cb -0.00 -3.62 0.20 0.00 0.06 0.00 0.00 34.95 31.59 1wwx s ARG 84 CO 0.19 -0.46 0.61 1.28 -2.50 0.00 0.00 175.30 174.43 1wwx n LEU 85 N 5.75 -1.09 -4.03 -0.88 4.32 -1.26 -4.85 117.00 114.95 1wwx n LEU 85 Ca 0.06 -1.18 -0.31 0.00 -0.02 0.00 0.00 56.01 54.55 1wwx n LEU 85 Cb 0.48 -1.74 -0.15 0.00 -1.62 0.00 0.00 43.42 40.39 1wwx n LEU 85 CO 0.48 0.18 -0.45 -0.69 -1.22 0.00 0.00 177.39 175.69 1wwx s VAL 86 N -3.34 1.95 0.39 4.08 1.01 -1.26 -0.81 120.40 122.41 1wwx s VAL 86 Ca 0.75 -1.46 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1wwx s VAL 86 Cb -0.43 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1wwx s VAL 86 CO 1.00 -0.03 0.13 -0.31 0.00 0.00 0.00 175.10 175.89 1wwx s TYR 87 N 1.21 2.60 -0.15 5.22 1.51 -0.20 -4.59 117.35 122.95 1wwx s TYR 87 Ca -0.07 -0.53 -0.12 0.00 -1.01 0.00 0.00 57.07 55.34 1wwx s TYR 87 Cb -0.19 -1.80 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1wwx s TYR 87 CO -0.06 0.28 0.38 0.21 -1.11 0.00 0.00 175.55 175.26 1wwx s LYS 88 N -3.84 0.41 -0.05 -0.62 2.20 -1.26 -0.83 119.74 115.75 1wwx s LYS 88 Ca 0.39 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 56.30 1wwx s LYS 88 Cb 0.02 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1wwx s LYS 88 CO 0.22 -0.09 1.25 -0.06 -0.36 0.00 0.00 175.35 176.30 1wwx s PHE 89 N 0.61 3.10 0.00 4.03 0.08 -1.18 0.35 117.98 124.97 1wwx s PHE 89 Ca -0.03 1.12 0.00 0.00 0.12 0.00 0.00 56.93 58.14 1wwx s PHE 89 Cb -0.05 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 1wwx s PHE 89 CO -0.04 -1.57 0.00 0.41 -0.10 0.00 0.00 175.22 173.92 1wwx n GLY 90 N 3.44 -1.44 0.11 4.36 0.00 0.98 -4.76 105.19 107.88 1wwx n GLY 90 Ca 0.12 -1.37 0.06 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.34 1.61 2.10 -1.82 -3.34 116.57 114.78 1wwx h LYS 91 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1wwx h LYS 91 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1wwx h LYS 91 CO 0.00 0.14 -0.05 -0.91 -2.00 0.00 0.00 179.45 176.63 1wwx h ASN 92 N 0.00 0.53 -4.29 7.07 -0.26 -1.83 -3.44 115.58 113.36 1wwx h ASN 92 Ca -0.07 -0.12 -0.50 0.00 -0.56 0.00 0.00 56.30 55.06 1wwx h ASN 92 Cb 1.25 -0.14 0.11 0.00 -1.06 0.00 0.00 38.32 38.49 1wwx h ASN 92 CO 0.02 0.63 0.34 0.00 -1.06 0.00 0.00 177.43 177.36 1wwx s ALA 93 N -4.88 2.37 0.34 -0.83 0.00 -1.25 -4.86 121.76 112.65 1wwx s ALA 93 Ca -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 1wwx s ALA 93 Cb 0.15 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 1wwx s ALA 93 CO 0.78 -1.58 0.44 -3.38 0.00 0.00 0.00 175.76 172.02 1wwx s HIS 94 N -3.06 1.21 0.00 0.00 -3.43 -1.26 -4.91 115.29 103.83 1wwx s HIS 94 Ca 0.60 -1.37 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 1wwx s HIS 94 Cb -0.15 -0.21 0.00 0.00 -1.43 0.00 0.00 32.58 30.80 1wwx s HIS 94 CO 0.55 -1.09 0.00 0.41 -2.00 0.00 0.00 174.74 172.61 1wwx n GLY 95 N -0.58 2.63 0.13 -1.38 0.00 -1.26 -4.74 105.19 99.99 1wwx n GLY 95 Ca 0.02 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 0.48 -2.76 1.61 5.08 -1.98 -3.48 115.95 114.90 1wwx h TRP 96 Ca 0.00 -0.35 -0.55 0.00 1.08 0.00 0.00 58.89 59.07 1wwx h TRP 96 Cb 0.00 -0.02 0.21 0.00 -3.00 0.00 0.00 29.16 26.36 1wwx h TRP 96 CO 0.00 1.68 -1.03 1.04 -1.28 0.00 0.00 178.44 178.85 1wwx n GLN 97 N -3.72 -0.04 -3.66 0.12 6.02 -1.26 -5.01 117.38 109.84 1wwx n GLN 97 Ca -0.29 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.54 1wwx n GLN 97 Cb 0.98 -1.48 -0.16 0.00 1.02 0.00 0.00 30.24 30.60 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 -2.66 0.00 0.35 -1.09 -6.30 -1.26 -5.14 118.70 102.61 1wwx s GLU 98 Ca 0.53 0.47 0.08 0.00 -2.50 0.00 0.00 54.97 53.54 1wwx s GLU 98 Cb -0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 34.13 33.40 1wwx s GLU 98 CO 0.71 -0.34 0.26 0.16 0.02 0.00 0.00 175.26 176.07 1wwx s ASP 99 N 2.25 5.08 1.10 -1.70 -4.77 -1.26 -5.11 116.67 112.26 1wwx s ASP 99 Ca 0.04 -0.62 -0.19 0.00 -3.30 0.00 0.00 52.55 48.49 1wwx s ASP 99 Cb -0.12 -0.84 0.10 0.00 -1.09 0.00 0.00 42.92 40.97 1wwx s ASP 99 CO -0.05 -0.39 -0.05 0.29 0.70 0.00 0.00 175.17 175.68 1wwx n LYS 100 N -1.34 -1.72 -2.94 2.11 4.01 -1.26 -4.92 118.16 112.11 1wwx n LYS 100 Ca -0.01 -0.49 -0.40 0.00 -0.51 0.00 0.00 58.31 56.89 1wwx n LYS 100 Cb 0.61 -1.60 -0.05 0.00 -0.51 0.00 0.00 35.03 33.48 1wwx n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1wwx s LEU 101 N -0.38 4.48 0.58 -0.35 1.43 -1.26 -4.86 118.68 118.32 1wwx s LEU 101 Ca 0.50 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1wwx s LEU 101 Cb -0.08 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1wwx s LEU 101 CO 0.59 0.03 0.00 -0.24 0.23 0.00 0.00 176.35 176.96 1wwx n SER 102 N 2.63 -8.14 0.00 2.29 2.88 -1.26 -5.06 113.62 106.95 1wwx n SER 102 Ca -0.02 1.76 0.00 0.00 -1.33 0.00 0.00 58.87 59.28 1wwx n SER 102 Cb 0.50 -5.04 0.00 0.00 -0.75 0.00 0.00 64.21 58.92 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 -2.91 0.96 3.66 0.46 0.00 -1.26 -5.07 105.19 101.03 1wwx n GLY 103 Ca -0.02 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.95 4.21 0.16 1.61 0.04 -1.26 -4.99 135.00 132.82 1wwx s PRO 104 Ca 0.00 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.87 1wwx s PRO 104 Cb 0.00 -3.87 0.04 0.00 0.04 0.00 0.00 34.50 30.71 1wwx s PRO 104 CO 0.00 -0.77 0.50 -1.54 0.04 0.00 0.00 177.00 175.23 1wwx s SER 105 N 2.76 -0.33 -1.61 6.66 1.04 -1.26 -4.94 113.70 116.02 1wwx s SER 105 Ca 0.67 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 1wwx s SER 105 Cb -0.30 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.43 1wwx s SER 105 CO 0.25 -0.96 0.27 -0.24 0.98 0.00 0.00 173.24 173.54 1wwx n SER 106 N -0.31 -0.23 0.00 7.02 2.88 -1.26 -5.29 113.62 116.44 1wwx n SER 106 Ca -0.14 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 1wwx n SER 106 Cb 0.64 -1.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 1wwx n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42