#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyl h SER 2 N 0.00 -0.75 -4.27 1.61 0.87 -2.06 -3.35 113.55 105.59 1wyl h SER 2 Ca 0.00 0.08 -0.66 0.00 -1.23 0.00 0.00 61.79 59.99 1wyl h SER 2 Cb 0.00 0.28 -0.39 0.00 -0.44 0.00 0.00 62.40 61.85 1wyl h SER 2 CO 0.00 -0.36 -0.55 -0.55 -0.53 0.00 0.00 176.83 174.84 1wyl s SER 3 N -4.80 4.62 0.00 6.23 0.15 -1.26 -4.88 113.70 113.76 1wyl s SER 3 Ca -0.16 -2.92 0.00 0.00 0.70 0.00 0.00 55.95 53.57 1wyl s SER 3 Cb 0.08 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1wyl s SER 3 CO 0.65 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1wyl n GLY 4 N 3.28 -1.74 3.73 9.45 0.00 -1.26 -5.04 105.19 113.61 1wyl n GLY 4 Ca 0.06 0.65 -0.23 0.00 0.00 0.00 0.00 46.02 46.49 1wyl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wyl n SER 5 N -0.26 -2.33 -3.96 1.61 7.64 -1.26 -4.98 113.62 110.08 1wyl n SER 5 Ca 0.00 -0.78 -0.30 0.00 1.01 0.00 0.00 58.87 58.80 1wyl n SER 5 Cb 0.00 -4.14 -0.16 0.00 -1.01 0.00 0.00 64.21 58.90 1wyl n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wyl s SER 6 N -4.06 3.15 0.00 6.43 0.15 -1.26 -4.90 113.70 113.20 1wyl s SER 6 Ca 0.19 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1wyl s SER 6 Cb -0.09 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1wyl s SER 6 CO 0.81 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.70 1wyl n GLY 7 N 4.76 -0.70 3.81 9.45 0.00 -1.26 -5.13 105.19 116.12 1wyl n GLY 7 Ca -0.14 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1wyl n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wyl s THR 8 N -2.00 4.53 -0.44 2.61 2.01 -1.26 -4.96 115.64 116.13 1wyl s THR 8 Ca 0.00 1.34 0.03 0.00 0.31 0.00 0.00 61.69 63.37 1wyl s THR 8 Cb 0.00 -3.87 0.27 0.00 0.01 0.00 0.00 72.50 68.91 1wyl s THR 8 CO 0.00 0.20 1.14 0.00 -0.69 0.00 0.00 174.62 175.27 1wyl n GLN 9 N 0.69 1.93 0.27 4.92 0.00 -1.26 -4.37 117.38 119.57 1wyl n GLN 9 Ca -0.02 -1.11 -0.11 0.00 0.00 0.00 0.00 57.00 55.76 1wyl n GLN 9 Cb 0.51 -1.60 -0.05 0.00 0.00 0.00 0.00 30.24 29.10 1wyl n GLN 9 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1wyl h GLU 10 N 0.90 -0.69 -0.85 2.61 4.57 -2.00 -2.46 114.58 116.65 1wyl h GLU 10 Ca 0.12 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.50 1wyl h GLU 10 Cb 1.36 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 30.01 1wyl h GLU 10 CO 0.29 -0.46 0.43 0.93 -1.18 0.00 0.00 179.01 179.01 1wyl h GLU 11 N -0.98 0.57 -0.14 1.92 4.39 -2.01 -1.42 114.58 116.91 1wyl h GLU 11 Ca -0.07 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.63 1wyl h GLU 11 Cb 0.55 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 1wyl h GLU 11 CO 0.12 0.37 -0.12 1.25 -1.16 0.00 0.00 179.01 179.48 1wyl h LEU 12 N 0.58 -0.37 0.10 1.33 5.85 -1.84 0.11 115.31 121.08 1wyl h LEU 12 Ca 0.48 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.27 1wyl h LEU 12 Cb 0.72 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1wyl h LEU 12 CO -0.39 -0.15 -0.14 0.25 -0.34 0.00 0.00 178.44 177.67 1wyl h LEU 13 N -0.13 -0.39 -0.62 2.25 5.85 -0.77 0.14 115.31 121.65 1wyl h LEU 13 Ca 0.09 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1wyl h LEU 13 Cb 0.26 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.31 1wyl h LEU 13 CO -0.22 -0.17 -0.15 0.03 -0.34 0.00 0.00 178.44 177.60 1wyl h ARG 14 N -0.24 0.00 -0.65 1.25 3.08 -1.42 0.81 114.38 117.21 1wyl h ARG 14 Ca -0.01 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1wyl h ARG 14 Cb 0.22 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 1wyl h ARG 14 CO -0.04 0.00 0.27 2.35 -1.07 0.00 0.00 179.97 181.49 1wyl h TRP 15 N 0.00 0.48 -0.74 3.04 7.01 -0.56 -0.99 115.95 124.19 1wyl h TRP 15 Ca 0.30 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.30 1wyl h TRP 15 Cb 0.46 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1wyl h TRP 15 CO -0.50 0.14 0.33 0.00 -2.79 0.00 0.00 178.44 175.62 1wyl h GLN 17 N 1.05 -0.38 -0.40 0.00 4.20 0.21 0.28 115.11 120.08 1wyl h GLN 17 Ca 0.25 0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.04 1wyl h GLN 17 Cb 0.14 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1wyl h GLN 17 CO -0.03 -0.26 0.14 0.93 -0.67 0.00 0.00 178.83 178.95 1wyl h GLU 18 N -0.40 0.30 0.00 1.46 4.39 -1.30 0.39 114.58 119.42 1wyl h GLU 18 Ca 0.03 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1wyl h GLU 18 Cb 0.43 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1wyl h GLU 18 CO -0.13 0.20 -0.19 1.96 -1.16 0.00 0.00 179.01 179.69 1wyl h GLN 19 N 0.30 0.00 -0.44 2.33 1.08 -1.11 -2.42 115.11 114.85 1wyl h GLN 19 Ca 0.18 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.17 1wyl h GLN 19 Cb 0.16 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.47 1wyl h GLN 19 CO -0.18 0.19 0.04 0.25 -0.95 0.00 0.00 178.83 178.18 1wyl n THR 20 N -3.90 2.63 -0.06 -0.54 -2.24 0.97 -4.42 114.28 106.72 1wyl n THR 20 Ca -0.02 -2.50 -0.11 0.00 -2.27 0.00 0.00 64.05 59.15 1wyl n THR 20 Cb 0.28 -0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 68.03 1wyl n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyl n ALA 21 N -1.03 1.43 -0.80 6.98 0.00 0.12 -4.30 120.51 122.92 1wyl n ALA 21 Ca 0.36 -0.99 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1wyl n ALA 21 Cb 1.12 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 20.06 1wyl n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyl n GLY 22 N 1.72 3.58 2.76 0.00 0.00 -1.26 -4.80 105.19 107.19 1wyl n GLY 22 Ca -0.26 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 1wyl n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wyl s TYR 23 N -1.17 0.07 0.11 1.61 6.14 -1.26 -5.09 117.35 117.76 1wyl s TYR 23 Ca 0.23 0.13 -0.31 0.00 0.64 0.00 0.00 57.07 57.77 1wyl s TYR 23 Cb 0.17 -0.30 -0.08 0.00 0.42 0.00 0.00 41.96 42.18 1wyl s TYR 23 CO -0.01 -0.11 1.37 -1.25 0.64 0.00 0.00 175.55 176.18 1wyl s PRO 24 N 1.24 4.33 0.00 4.97 0.04 -1.26 -3.32 135.00 141.01 1wyl s PRO 24 Ca -0.07 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1wyl s PRO 24 Cb -0.13 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1wyl s PRO 24 CO -0.03 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1wyl n GLY 25 N 3.41 2.32 3.59 0.56 0.00 -1.26 -4.98 105.19 108.84 1wyl n GLY 25 Ca 0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1wyl n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyl s VAL 26 N -0.30 3.15 -0.55 1.61 1.01 -1.21 -4.91 120.40 119.20 1wyl s VAL 26 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1wyl s VAL 26 Cb 0.00 -3.22 0.15 0.00 0.00 0.00 0.00 36.38 33.31 1wyl s VAL 26 CO 0.00 -0.15 0.36 -1.38 0.00 0.00 0.00 175.10 173.92 1wyl s HIS 27 N 8.56 2.64 -0.69 5.22 -3.43 -1.26 -4.82 115.29 121.50 1wyl s HIS 27 Ca 0.93 -2.88 -0.27 0.00 -0.80 0.00 0.00 55.06 52.04 1wyl s HIS 27 Cb -0.27 -2.19 0.03 0.00 -1.43 0.00 0.00 32.58 28.72 1wyl s HIS 27 CO 0.33 -0.69 1.22 0.08 -2.00 0.00 0.00 174.74 173.68 1wyl s VAL 28 N -0.49 3.85 -0.03 -5.38 1.01 -1.26 -4.79 120.40 113.30 1wyl s VAL 28 Ca 0.23 0.44 0.22 0.00 0.00 0.00 0.00 61.98 62.87 1wyl s VAL 28 Cb -0.12 -4.85 -0.34 0.00 0.00 0.00 0.00 36.38 31.07 1wyl s VAL 28 CO -0.10 -1.70 0.47 -0.24 0.00 0.00 0.00 175.10 173.54 1wyl n SER 29 N 8.99 0.06 -3.35 3.32 2.88 -1.26 -4.76 113.62 119.49 1wyl n SER 29 Ca 0.03 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.52 1wyl n SER 29 Cb 0.49 1.98 0.01 0.00 -0.75 0.00 0.00 64.21 65.93 1wyl n SER 29 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wyl s ASP 30 N -4.50 -0.06 -0.84 -3.46 1.01 -1.26 -5.07 116.67 102.49 1wyl s ASP 30 Ca -0.08 -0.77 0.01 0.00 0.71 0.00 0.00 52.55 52.41 1wyl s ASP 30 Cb 0.14 0.65 0.34 0.00 1.01 0.00 0.00 42.92 45.06 1wyl s ASP 30 CO 0.90 -1.26 1.63 0.18 0.21 0.00 0.00 175.17 176.83 1wyl n LEU 31 N -0.57 6.57 0.00 1.23 4.32 -1.26 -4.26 117.00 123.03 1wyl n LEU 31 Ca -0.06 -5.30 0.00 0.00 -0.02 0.00 0.00 56.01 50.64 1wyl n LEU 31 Cb 0.60 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1wyl n LEU 31 CO 0.21 2.06 0.00 -0.24 -1.22 0.00 0.00 177.39 178.20 1wyl n SER 32 N -0.26 0.00 -0.00 -1.43 2.88 -1.26 -4.79 113.62 108.77 1wyl n SER 32 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1wyl n SER 32 Cb 0.32 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1wyl n SER 32 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wyl n SER 33 N -2.36 4.82 -0.13 -3.46 7.64 -1.26 -4.57 113.62 114.29 1wyl n SER 33 Ca 0.00 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.15 1wyl n SER 33 Cb 0.00 0.93 0.72 0.00 -1.01 0.00 0.00 64.21 64.85 1wyl n SER 33 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wyl h SER 34 N 0.00 0.00 0.57 6.43 0.02 -1.91 0.79 113.55 119.46 1wyl h SER 34 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wyl h SER 34 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1wyl h SER 34 CO 0.00 0.00 -1.01 0.79 -1.14 0.00 0.00 176.83 175.47 1wyl n TRP 35 N -4.13 0.41 -0.07 3.45 7.02 -1.26 -4.30 117.44 118.56 1wyl n TRP 35 Ca 0.17 0.12 -0.07 0.00 -1.02 0.00 0.00 57.50 56.70 1wyl n TRP 35 Cb 0.93 -0.56 -0.01 0.00 -2.42 0.00 0.00 31.31 29.24 1wyl n TRP 35 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wyl h ALA 36 N 2.41 -0.04 -0.77 6.99 0.00 0.44 -1.52 119.26 126.78 1wyl h ALA 36 Ca 0.00 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.25 1wyl h ALA 36 Cb 0.79 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1wyl h ALA 36 CO 0.00 -0.62 0.15 -0.25 0.00 0.00 0.00 179.25 178.52 1wyl n ASP 37 N -5.37 0.03 0.00 0.00 8.00 -1.23 -3.91 116.55 114.07 1wyl n ASP 37 Ca 0.00 1.29 0.00 0.00 0.71 0.00 0.00 54.79 56.79 1wyl n ASP 37 Cb 0.28 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wyl n GLY 38 N -1.32 2.77 0.37 0.44 0.00 -0.57 -4.31 105.19 102.56 1wyl n GLY 38 Ca 0.22 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.42 1wyl n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyl h LEU 39 N 0.00 0.89 -0.73 0.99 3.38 -1.84 -2.83 115.31 115.18 1wyl h LEU 39 Ca 0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1wyl h LEU 39 Cb 0.00 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.49 1wyl h LEU 39 CO 0.00 0.54 -0.52 0.00 0.09 0.00 0.00 178.44 178.55 1wyl h ALA 40 N 1.52 -0.57 -0.56 1.53 0.00 -1.82 0.44 119.26 119.79 1wyl h ALA 40 Ca 0.42 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1wyl h ALA 40 Cb 0.32 1.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1wyl h ALA 40 CO -0.18 -0.91 0.37 -0.07 0.00 0.00 0.00 179.25 178.47 1wyl h LEU 41 N -0.11 0.64 0.56 0.00 3.38 -1.78 -2.44 115.31 115.55 1wyl h LEU 41 Ca 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wyl h LEU 41 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1wyl h LEU 41 CO -0.75 0.46 -0.29 0.00 0.09 0.00 0.00 178.44 177.95 1wyl h ALA 43 N -0.36 -0.58 -0.87 0.00 0.00 -0.40 0.15 119.26 117.21 1wyl h ALA 43 Ca -0.07 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 54.98 1wyl h ALA 43 Cb 0.62 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1wyl h ALA 43 CO 0.11 -0.89 0.38 1.25 0.00 0.00 0.00 179.25 180.11 1wyl h LEU 44 N -0.56 0.35 0.61 0.00 5.85 -1.41 0.93 115.31 121.07 1wyl h LEU 44 Ca 0.03 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1wyl h LEU 44 Cb 0.60 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.74 1wyl h LEU 44 CO -0.20 0.04 -0.29 0.58 -0.34 0.00 0.00 178.44 178.23 1wyl h VAL 45 N 0.44 0.03 -0.52 1.05 2.07 -0.51 -1.94 116.25 116.87 1wyl h VAL 45 Ca 0.53 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.74 1wyl h VAL 45 Cb 0.95 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 1wyl h VAL 45 CO -0.49 0.01 -0.30 1.88 0.02 0.00 0.00 177.57 178.68 1wyl h TYR 46 N -1.20 -0.82 0.52 1.57 0.05 -0.21 -2.21 116.97 114.67 1wyl h TYR 46 Ca -0.08 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1wyl h TYR 46 Cb 0.63 0.44 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 1wyl h TYR 46 CO 0.00 -0.36 -0.50 0.00 -1.05 0.00 0.00 178.16 176.25 1wyl h ARG 47 N -0.17 -0.98 -0.96 4.88 -0.00 -0.90 -1.99 114.38 114.26 1wyl h ARG 47 Ca 0.22 0.07 0.37 0.00 -0.50 0.00 0.00 59.98 60.14 1wyl h ARG 47 Cb 0.53 0.22 -0.14 0.00 0.00 0.00 0.00 29.97 30.58 1wyl h ARG 47 CO -0.62 -0.65 0.56 1.28 0.00 0.00 0.00 179.97 180.54 1wyl n LEU 48 N -5.50 0.26 -3.71 3.04 4.77 -0.73 -3.04 117.00 112.09 1wyl n LEU 48 Ca -0.12 1.33 -0.30 0.00 -0.03 0.00 0.00 56.01 56.89 1wyl n LEU 48 Cb 0.46 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1wyl n LEU 48 CO 0.27 -1.47 -0.31 -1.10 -1.33 0.00 0.00 177.39 173.44 1wyl s GLN 49 N -5.19 0.79 0.00 3.23 -0.21 -0.76 -4.97 119.66 112.56 1wyl s GLN 49 Ca -0.07 -1.24 0.15 0.00 0.02 0.00 0.00 55.36 54.22 1wyl s GLN 49 Cb 0.28 -1.98 0.79 0.00 1.00 0.00 0.00 33.01 33.10 1wyl s GLN 49 CO 0.67 -1.03 1.39 -0.35 -2.12 0.00 0.00 175.29 173.85 1wyl n PRO 50 N 4.58 0.28 0.07 2.91 -0.04 -1.17 -2.79 135.00 138.84 1wyl n PRO 50 Ca 0.01 0.11 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 1wyl n PRO 50 Cb 0.40 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 1wyl n PRO 50 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1wyl h GLY 51 N 2.44 0.35 -1.61 0.55 0.00 -1.91 -3.47 103.07 99.42 1wyl h GLY 51 Ca 0.00 -0.89 -0.53 0.00 0.00 0.00 0.00 47.33 45.91 1wyl h GLY 51 CO 0.00 0.78 0.34 1.08 0.00 0.00 0.00 176.54 178.74 1wyl s LEU 52 N -7.09 3.15 0.96 3.11 1.43 -1.12 -4.97 118.68 114.15 1wyl s LEU 52 Ca -0.11 2.34 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 1wyl s LEU 52 Cb 0.06 -4.59 0.12 0.00 0.03 0.00 0.00 46.19 41.81 1wyl s LEU 52 CO 0.86 -2.61 0.11 0.00 0.23 0.00 0.00 176.35 174.94 1wyl n LEU 53 N -3.26 -1.65 -4.67 1.79 -0.00 -1.26 -5.01 117.00 102.94 1wyl n LEU 53 Ca 0.13 -0.29 -0.23 0.00 -0.00 0.00 0.00 56.01 55.63 1wyl n LEU 53 Cb 0.51 -0.73 -0.07 0.00 -0.00 0.00 0.00 43.42 43.12 1wyl n LEU 53 CO 0.48 -3.02 -0.30 -1.61 -0.00 0.00 0.00 177.39 172.93 1wyl s GLU 54 N -3.18 2.39 0.00 1.47 0.41 -1.26 -4.96 118.70 113.58 1wyl s GLU 54 Ca 0.34 -1.33 0.05 0.00 -0.41 0.00 0.00 54.97 53.61 1wyl s GLU 54 Cb -0.05 -2.24 0.27 0.00 -1.78 0.00 0.00 34.13 30.34 1wyl s GLU 54 CO 0.35 0.38 0.74 -0.35 -0.49 0.00 0.00 175.26 175.89 1wyl n PRO 55 N -0.85 0.49 -0.18 0.39 -0.04 -1.26 -4.18 135.00 129.37 1wyl n PRO 55 Ca -0.07 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.56 1wyl n PRO 55 Cb 0.58 -1.15 0.31 0.00 -0.04 0.00 0.00 33.50 33.21 1wyl n PRO 55 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wyl n SER 56 N -0.65 0.17 -0.01 3.54 7.64 -1.26 0.24 113.62 123.29 1wyl n SER 56 Ca 0.03 0.84 -0.20 0.00 1.01 0.00 0.00 58.87 60.55 1wyl n SER 56 Cb 0.02 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1wyl h GLU 57 N 0.00 0.18 -0.60 1.43 4.39 -2.04 -3.31 114.58 114.63 1wyl h GLU 57 Ca 0.44 -0.30 0.17 0.00 0.34 0.00 0.00 59.36 60.02 1wyl h GLU 57 Cb 1.22 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1wyl h GLU 57 CO -0.37 1.14 0.64 -0.07 -1.16 0.00 0.00 179.01 179.19 1wyl h LEU 58 N -0.55 0.00 -8.05 1.33 4.07 0.28 -3.35 115.31 109.03 1wyl h LEU 58 Ca -0.21 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.66 1wyl h LEU 58 Cb 1.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.25 1wyl h LEU 58 CO 0.03 0.00 0.29 -1.10 -1.08 0.00 0.00 178.44 176.58 1wyl s GLN 59 N -4.59 1.45 0.00 1.13 -1.52 -0.27 -1.38 119.66 114.48 1wyl s GLN 59 Ca -0.04 -0.62 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 1wyl s GLN 59 Cb 0.16 -5.04 0.00 0.00 -0.22 0.00 0.00 33.01 27.90 1wyl s GLN 59 CO 0.55 -5.21 0.00 0.41 -0.25 0.00 0.00 175.29 170.79 1wyl n GLY 60 N 6.05 1.19 3.21 3.09 0.00 -1.26 -5.07 105.19 112.41 1wyl n GLY 60 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1wyl n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyl n LEU 61 N 0.00 -2.29 -4.78 0.99 4.77 -0.48 -4.91 117.00 110.31 1wyl n LEU 61 Ca 0.00 -0.16 -0.37 0.00 -0.03 0.00 0.00 56.01 55.45 1wyl n LEU 61 Cb 0.00 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 1wyl n LEU 61 CO 0.00 -3.03 0.77 -0.83 -1.33 0.00 0.00 177.39 172.97 1wyl s GLY 62 N -1.77 2.77 0.50 -0.72 0.00 -1.26 -4.86 107.32 101.98 1wyl s GLY 62 Ca 0.51 0.80 0.41 0.00 0.00 0.00 0.00 44.72 46.44 1wyl s GLY 62 CO 0.62 1.25 1.60 0.00 0.00 0.00 0.00 173.10 176.56 1wyl h ALA 63 N 2.41 3.33 0.00 3.20 0.00 -1.91 0.71 119.26 127.00 1wyl h ALA 63 Ca -0.49 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1wyl h ALA 63 Cb 1.23 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1wyl h ALA 63 CO 0.62 -1.93 -0.34 1.25 0.00 0.00 0.00 179.25 178.85 1wyl h LEU 64 N 0.02 0.00 -1.62 0.00 5.85 -1.90 -3.34 115.31 114.32 1wyl h LEU 64 Ca 0.88 -0.40 0.51 0.00 0.84 0.00 0.00 57.88 59.71 1wyl h LEU 64 Cb 3.19 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 44.11 1wyl h LEU 64 CO -0.21 0.89 1.11 -0.62 -0.34 0.00 0.00 178.44 179.27 1wyl n GLU 65 N -4.63 -0.02 0.09 1.25 -0.58 0.17 -0.95 120.64 115.97 1wyl n GLU 65 Ca -0.11 1.17 -0.04 0.00 -0.42 0.00 0.00 57.16 57.77 1wyl n GLU 65 Cb 0.33 -2.46 -0.02 0.00 -0.57 0.00 0.00 31.44 28.72 1wyl n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wyl h ALA 66 N 1.32 -0.81 -1.28 0.62 0.00 -1.49 -3.14 119.26 114.50 1wyl h ALA 66 Ca 0.90 -0.05 0.43 0.00 0.00 0.00 0.00 54.91 56.19 1wyl h ALA 66 Cb 3.21 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 20.96 1wyl h ALA 66 CO -0.27 -0.79 0.81 1.15 0.00 0.00 0.00 179.25 180.15 1wyl h THR 67 N -0.29 0.11 -0.18 0.00 2.02 -1.16 0.23 112.91 113.64 1wyl h THR 67 Ca -0.02 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1wyl h THR 67 Cb 0.18 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.54 1wyl h THR 67 CO 0.04 0.02 -0.27 0.00 0.37 0.00 0.00 175.52 175.68 1wyl h ALA 68 N 1.65 -0.23 0.85 6.16 0.00 -1.38 -1.27 119.26 125.04 1wyl h ALA 68 Ca 0.82 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.74 1wyl h ALA 68 Cb 2.50 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.83 1wyl h ALA 68 CO -0.46 -0.72 -0.47 2.35 0.00 0.00 0.00 179.25 179.94 1wyl h TRP 69 N -0.31 -1.25 -0.98 0.00 7.01 -0.54 -1.86 115.95 118.02 1wyl h TRP 69 Ca 0.12 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.26 1wyl h TRP 69 Cb 0.49 0.44 -0.17 0.00 -2.10 0.00 0.00 29.16 27.82 1wyl h TRP 69 CO -0.39 -0.73 -0.36 0.00 -2.79 0.00 0.00 178.44 174.18 1wyl h ALA 70 N -1.28 0.26 0.00 2.65 0.00 -1.35 1.75 119.26 121.29 1wyl h ALA 70 Ca -0.11 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1wyl h ALA 70 Cb 0.96 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1wyl h ALA 70 CO 0.15 -0.57 -0.04 -0.07 0.00 0.00 0.00 179.25 178.71 1wyl h LEU 71 N -0.01 0.00 0.00 0.00 3.38 -1.11 -0.51 115.31 117.07 1wyl h LEU 71 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1wyl h LEU 71 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1wyl h LEU 71 CO -0.99 0.04 0.00 1.17 0.09 0.00 0.00 178.44 178.76 1wyl n LYS 72 N -4.33 0.00 -0.29 1.13 4.81 0.57 -1.67 118.16 118.38 1wyl n LYS 72 Ca -0.03 0.49 0.34 0.00 -0.87 0.00 0.00 58.31 58.24 1wyl n LYS 72 Cb 0.13 -1.09 0.75 0.00 0.02 0.00 0.00 35.03 34.84 1wyl n LYS 72 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1wyl h VAL 73 N 0.00 0.43 0.04 3.15 2.07 -0.75 0.77 116.25 121.96 1wyl h VAL 73 Ca 0.00 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 1wyl h VAL 73 Cb 0.00 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1wyl h VAL 73 CO 0.00 0.00 -1.04 0.00 0.02 0.00 0.00 177.57 176.55 1wyl h ALA 74 N 1.43 0.33 0.00 1.67 0.00 -1.19 0.38 119.26 121.88 1wyl h ALA 74 Ca 0.53 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wyl h ALA 74 Cb 2.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1wyl h ALA 74 CO -0.01 1.08 -0.35 -1.91 0.00 0.00 0.00 179.25 178.07 1wyl n GLU 75 N -3.49 0.14 -0.07 0.00 0.00 0.23 0.21 120.64 117.66 1wyl n GLU 75 Ca -0.03 0.07 -0.08 0.00 0.00 0.00 0.00 57.16 57.11 1wyl n GLU 75 Cb 0.93 -1.61 -0.03 0.00 0.00 0.00 0.00 31.44 30.73 1wyl n GLU 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wyl n ASN 76 N -1.83 1.82 0.01 4.31 3.02 0.82 -4.20 115.26 119.21 1wyl n ASN 76 Ca 0.05 0.30 -0.01 0.00 -0.03 0.00 0.00 54.58 54.90 1wyl n ASN 76 Cb 0.39 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1wyl n ASN 76 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1wyl h GLU 77 N -0.85 -0.04 -0.70 3.52 4.39 -1.11 -3.36 114.58 116.42 1wyl h GLU 77 Ca -0.02 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1wyl h GLU 77 Cb 0.87 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1wyl h GLU 77 CO -0.01 -0.03 0.46 -0.07 -1.16 0.00 0.00 179.01 178.21 1wyl h LEU 78 N -0.25 0.78 0.00 1.33 3.38 -1.46 -3.46 115.31 115.63 1wyl h LEU 78 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wyl h LEU 78 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1wyl h LEU 78 CO 0.01 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1wyl n GLY 79 N -1.43 0.51 3.56 0.83 0.00 0.56 -4.96 105.19 104.26 1wyl n GLY 79 Ca 0.08 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1wyl n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wyl s ILE 80 N -2.00 4.16 0.07 -0.61 -1.09 0.22 -4.86 121.20 117.09 1wyl s ILE 80 Ca 0.00 -1.66 -0.32 0.00 -2.23 0.00 0.00 60.65 56.45 1wyl s ILE 80 Cb 0.00 -5.13 -0.17 0.00 -1.58 0.00 0.00 42.46 35.59 1wyl s ILE 80 CO 0.00 -1.96 0.77 0.41 -1.23 0.00 0.00 174.94 172.93 1wyl n THR 81 N 6.36 0.66 -2.04 2.92 -1.04 -1.26 -4.24 114.28 115.63 1wyl n THR 81 Ca 0.43 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.05 61.92 1wyl n THR 81 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.95 1wyl n THR 81 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wyl s PRO 82 N -0.33 2.60 0.28 -2.82 0.04 -1.26 -4.82 135.00 128.70 1wyl s PRO 82 Ca 0.72 0.35 0.07 0.00 0.04 0.00 0.00 61.00 62.18 1wyl s PRO 82 Cb -1.02 -4.59 0.41 0.00 0.04 0.00 0.00 34.50 29.35 1wyl s PRO 82 CO 0.50 -2.92 1.66 -0.24 0.04 0.00 0.00 177.00 176.04 1wyl h VAL 83 N 7.00 1.34 -3.60 -0.36 3.04 -1.94 -3.44 116.25 118.28 1wyl h VAL 83 Ca -0.16 -1.69 -0.67 0.00 -1.01 0.00 0.00 66.70 63.18 1wyl h VAL 83 Cb 1.12 1.82 -0.17 0.00 -2.01 0.00 0.00 31.29 32.05 1wyl h VAL 83 CO 1.22 0.50 -0.76 -0.69 -1.01 0.00 0.00 177.57 176.83 1wyl s VAL 84 N -3.98 3.23 0.03 1.51 1.01 -1.26 -5.05 120.40 115.88 1wyl s VAL 84 Ca -0.04 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 1wyl s VAL 84 Cb 0.13 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1wyl s VAL 84 CO 0.77 0.11 1.05 -0.44 0.00 0.00 0.00 175.10 176.60 1wyl s SER 85 N -2.19 7.28 0.27 3.32 0.01 -1.26 -4.92 113.70 116.22 1wyl s SER 85 Ca 0.20 1.79 0.03 0.00 1.31 0.00 0.00 55.95 59.28 1wyl s SER 85 Cb -0.11 -2.57 0.70 0.00 0.21 0.00 0.00 66.02 64.24 1wyl s SER 85 CO 0.13 -0.32 1.37 0.00 0.41 0.00 0.00 173.24 174.83 1wyl n ALA 86 N 3.82 0.47 0.24 1.44 0.00 -1.26 0.34 120.51 125.57 1wyl n ALA 86 Ca 0.07 0.93 -0.16 0.00 0.00 0.00 0.00 53.44 54.28 1wyl n ALA 86 Cb 0.49 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 1wyl n ALA 86 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wyl h GLN 87 N 0.00 -0.54 -0.87 0.00 5.75 -1.96 -2.50 115.11 114.99 1wyl h GLN 87 Ca 0.54 0.04 0.20 0.00 -0.15 0.00 0.00 58.65 59.28 1wyl h GLN 87 Cb 1.14 0.12 -0.12 0.00 1.07 0.00 0.00 27.48 29.69 1wyl h GLN 87 CO -0.81 -0.34 0.37 0.00 -2.65 0.00 0.00 178.83 175.39 1wyl h ALA 88 N -0.02 1.35 0.72 3.38 0.00 -0.49 0.72 119.26 124.92 1wyl h ALA 88 Ca -0.06 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1wyl h ALA 88 Cb 0.45 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wyl h ALA 88 CO 0.09 -0.31 -0.41 0.28 0.00 0.00 0.00 179.25 178.90 1wyl h VAL 89 N 0.41 0.00 0.75 0.00 2.07 -1.02 -1.84 116.25 116.62 1wyl h VAL 89 Ca 0.53 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.01 1wyl h VAL 89 Cb 0.97 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1wyl h VAL 89 CO -0.51 0.00 -0.36 0.58 0.02 0.00 0.00 177.57 177.30 1wyl h VAL 90 N -1.05 0.00 -0.87 2.57 2.07 -0.96 -3.09 116.25 114.92 1wyl h VAL 90 Ca -0.10 -0.16 0.28 0.00 0.82 0.00 0.00 66.70 67.54 1wyl h VAL 90 Cb 0.82 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.43 1wyl h VAL 90 CO 0.12 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.88 1wyl n ALA 91 N -2.63 0.59 -1.40 1.67 0.00 0.25 -4.74 120.51 114.25 1wyl n ALA 91 Ca -0.13 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1wyl n ALA 91 Cb 0.40 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1wyl n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyl n GLY 92 N -1.37 0.99 0.13 0.00 0.00 -0.70 -5.01 105.19 99.23 1wyl n GLY 92 Ca 0.25 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1wyl n GLY 92 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wyl n SER 93 N 0.92 1.99 -4.16 1.61 2.88 -1.14 -4.77 113.62 110.94 1wyl n SER 93 Ca 0.00 -0.03 -0.39 0.00 -1.33 0.00 0.00 58.87 57.12 1wyl n SER 93 Cb 0.29 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.19 1wyl n SER 93 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wyl s ASP 94 N -6.71 5.85 0.07 -3.46 1.01 -1.25 -4.91 116.67 107.28 1wyl s ASP 94 Ca -0.35 -3.10 -0.18 0.00 0.71 0.00 0.00 52.55 49.62 1wyl s ASP 94 Cb 0.10 -1.96 -0.12 0.00 1.01 0.00 0.00 42.92 41.96 1wyl s ASP 94 CO 0.57 -0.35 1.38 1.55 0.21 0.00 0.00 175.17 178.53 1wyl h PRO 95 N 6.88 0.51 -0.50 8.23 0.13 -1.88 -3.24 132.00 142.12 1wyl h PRO 95 Ca 0.07 -0.27 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1wyl h PRO 95 Cb 0.93 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 1wyl h PRO 95 CO 0.77 0.85 0.32 -0.07 -0.23 0.00 0.00 178.00 179.64 1wyl h LEU 96 N 0.19 0.53 -0.48 1.56 4.07 -1.91 -2.91 115.31 116.37 1wyl h LEU 96 Ca 0.03 -0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.08 1wyl h LEU 96 Cb 0.76 -0.12 -0.10 0.00 1.08 0.00 0.00 40.66 42.27 1wyl h LEU 96 CO 0.05 0.38 -0.29 1.23 -1.08 0.00 0.00 178.44 178.73 1wyl h GLY 97 N 0.64 -0.08 0.24 0.83 0.00 -1.97 -1.79 103.07 100.94 1wyl h GLY 97 Ca 0.19 0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.93 1wyl h GLY 97 CO -0.07 -0.21 -0.36 -2.00 0.00 0.00 0.00 176.54 173.90 1wyl h LEU 98 N -0.18 -1.09 -0.76 3.11 5.85 -1.55 0.26 115.31 120.94 1wyl h LEU 98 Ca 0.21 0.14 0.17 0.00 0.84 0.00 0.00 57.88 59.23 1wyl h LEU 98 Cb 0.52 0.43 -0.14 0.00 0.37 0.00 0.00 40.66 41.85 1wyl h LEU 98 CO -0.58 -0.42 -0.05 0.40 -0.34 0.00 0.00 178.44 177.44 1wyl h ILE 99 N -0.53 0.30 -0.26 4.05 2.04 -1.27 0.49 117.51 122.34 1wyl h ILE 99 Ca 0.05 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 1wyl h ILE 99 Cb 0.61 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1wyl h ILE 99 CO -0.28 0.01 -0.14 0.00 0.00 0.00 0.00 178.15 177.73 1wyl h ALA 100 N 1.73 1.28 0.41 1.87 0.00 -0.62 -2.19 119.26 121.74 1wyl h ALA 100 Ca 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wyl h ALA 100 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wyl h ALA 100 CO -0.71 0.48 -0.20 -0.92 0.00 0.00 0.00 179.25 177.91 1wyl h TYR 101 N 0.41 -0.51 -0.77 0.00 3.20 0.20 -3.14 116.97 116.36 1wyl h TYR 101 Ca 0.07 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1wyl h TYR 101 Cb 0.49 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 1wyl h TYR 101 CO 0.01 -0.21 0.46 -0.07 -1.64 0.00 0.00 178.16 176.72 1wyl h LEU 102 N -0.77 0.70 -1.03 2.82 3.38 -0.99 -1.94 115.31 117.48 1wyl h LEU 102 Ca -0.06 0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.32 1wyl h LEU 102 Cb 0.53 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.00 1wyl h LEU 102 CO 0.09 0.45 0.57 0.28 0.09 0.00 0.00 178.44 179.93 1wyl h SER 103 N 0.83 0.40 -0.91 -0.43 0.02 -1.34 1.18 113.55 113.30 1wyl h SER 103 Ca 0.34 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.50 1wyl h SER 103 Cb 0.18 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 1wyl h SER 103 CO -0.18 -0.29 0.54 0.45 -1.14 0.00 0.00 176.83 176.21 1wyl h HIS 104 N 0.14 1.21 0.10 3.45 3.86 -1.38 0.31 115.15 122.84 1wyl h HIS 104 Ca 0.80 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 60.00 1wyl h HIS 104 Cb 2.03 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 30.11 1wyl h HIS 104 CO -0.01 0.81 -0.05 0.74 0.86 0.00 0.00 177.93 180.28 1wyl h PHE 105 N 1.26 -0.12 0.50 2.45 -1.00 0.13 -2.77 116.94 117.39 1wyl h PHE 105 Ca 0.33 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.08 1wyl h PHE 105 Cb -0.04 0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1wyl h PHE 105 CO 0.01 0.04 -0.24 1.25 -1.61 0.00 0.00 178.31 177.76 1wyl h HIS 106 N -0.27 -0.63 -1.01 -0.55 2.76 -1.25 0.41 115.15 114.61 1wyl h HIS 106 Ca -0.01 -0.01 0.29 0.00 -2.20 0.00 0.00 60.37 58.44 1wyl h HIS 106 Cb 0.23 0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 1wyl h HIS 106 CO -0.03 -0.31 1.13 0.77 -1.30 0.00 0.00 177.93 178.19 1wyl h SER 107 N -1.05 0.00 0.00 3.26 0.02 -0.45 0.78 113.55 116.11 1wyl h SER 107 Ca -0.07 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.49 1wyl h SER 107 Cb 0.60 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 1wyl h SER 107 CO 0.11 0.00 -2.47 0.00 -1.14 0.00 0.00 176.83 173.33 1wyl n ALA 108 N -2.30 1.42 -1.58 3.77 0.00 -1.05 -4.49 120.51 116.29 1wyl n ALA 108 Ca 0.23 -1.10 -0.34 0.00 0.00 0.00 0.00 53.44 52.23 1wyl n ALA 108 Cb 1.44 -0.10 0.06 0.00 0.00 0.00 0.00 19.45 20.85 1wyl n ALA 108 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wyl n PHE 109 N -3.30 3.13 -0.05 0.00 3.72 0.17 -4.42 117.46 116.71 1wyl n PHE 109 Ca -0.46 -2.80 -0.08 0.00 -0.05 0.00 0.00 57.45 54.06 1wyl n PHE 109 Cb 0.99 -1.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.29 1wyl n PHE 109 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1wyl n LYS 110 N -0.81 0.24 -4.14 -1.08 2.85 0.22 -4.79 118.16 110.65 1wyl n LYS 110 Ca 0.58 0.07 -0.35 0.00 -1.05 0.00 0.00 58.31 57.55 1wyl n LYS 110 Cb 0.64 -1.11 -0.07 0.00 -0.65 0.00 0.00 35.03 33.83 1wyl n LYS 110 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1wyl n SER 111 N -2.96 -1.13 -3.43 -5.58 3.41 -1.26 -4.89 113.62 97.79 1wyl n SER 111 Ca -0.18 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1wyl n SER 111 Cb 0.67 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1wyl n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyl n GLY 112 N -1.25 -1.70 0.16 5.00 0.00 -1.26 -4.88 105.19 101.25 1wyl n GLY 112 Ca 0.03 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.77 1wyl n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyl h PRO 113 N 0.00 0.00 -0.83 1.61 0.13 -2.02 -3.31 132.00 127.58 1wyl h PRO 113 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 1wyl h PRO 113 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1wyl h PRO 113 CO 0.00 0.00 -0.43 0.45 -0.23 0.00 0.00 178.00 177.79 1wyl n SER 114 N -2.38 -0.75 -4.52 1.44 2.88 -1.26 -4.07 113.62 104.96 1wyl n SER 114 Ca 0.02 1.47 -0.39 0.00 -1.33 0.00 0.00 58.87 58.64 1wyl n SER 114 Cb 0.24 -0.25 -0.09 0.00 -0.75 0.00 0.00 64.21 63.36 1wyl n SER 114 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wyl n SER 115 N -5.12 1.35 0.00 -3.46 7.64 -1.25 -4.96 113.62 107.83 1wyl n SER 115 Ca 0.04 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1wyl n SER 115 Cb 0.26 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1wyl n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64