#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 -0.50 -0.56 1.61 0.87 -2.06 -3.42 113.55 109.48 1wyl h SER 2 Ca 0.00 -0.09 -0.58 0.00 -1.23 0.00 0.00 61.79 59.89 1wyl h SER 2 Cb 0.00 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1wyl h SER 2 CO 0.00 -0.18 1.58 -0.24 -0.53 0.00 0.00 176.83 177.45 1wyl n SER 3 N -5.25 1.20 0.00 6.23 2.88 -1.26 -4.68 113.62 112.73 1wyl n SER 3 Ca -0.11 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1wyl n SER 3 Cb 0.29 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1wyl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyl n GLY 4 N 6.60 3.40 1.89 0.46 0.00 -1.26 -4.94 105.19 111.35 1wyl n GLY 4 Ca 0.53 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1wyl n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wyl n SER 5 N 0.00 5.73 -0.32 1.61 2.88 -1.26 -4.60 113.62 117.65 1wyl n SER 5 Ca 0.00 -2.70 0.20 0.00 -1.33 0.00 0.00 58.87 55.04 1wyl n SER 5 Cb 0.00 -1.22 0.41 0.00 -0.75 0.00 0.00 64.21 62.65 1wyl n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wyl h SER 6 N 2.03 0.39 0.00 -3.46 0.02 -1.91 -3.44 113.55 107.18 1wyl h SER 6 Ca 0.18 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1wyl h SER 6 Cb 1.09 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wyl h SER 6 CO 0.37 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 1wyl n GLY 7 N -1.32 0.33 3.14 -3.77 0.00 -1.26 -5.17 105.19 97.14 1wyl n GLY 7 Ca 0.28 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.16 0.06 2.61 2.01 -1.26 -5.05 115.64 114.16 1wyl s THR 8 Ca 0.00 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 60.75 1wyl s THR 8 Cb 0.00 -1.17 -0.24 0.00 0.01 0.00 0.00 72.50 71.09 1wyl s THR 8 CO 0.00 -0.71 1.05 1.56 -0.69 0.00 0.00 174.62 175.84 1wyl h GLN 9 N 3.26 0.11 -0.75 4.92 4.20 -2.00 -3.36 115.11 121.49 1wyl h GLN 9 Ca -0.33 -0.19 0.11 0.00 0.06 0.00 0.00 58.65 58.30 1wyl h GLN 9 Cb 1.18 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 28.90 1wyl h GLN 9 CO 0.56 0.99 -0.40 1.49 -0.67 0.00 0.00 178.83 180.79 1wyl h GLU 10 N 0.03 -0.11 -0.84 1.46 4.22 -1.99 0.58 114.58 117.92 1wyl h GLU 10 Ca -0.13 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.38 1wyl h GLU 10 Cb 1.91 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 31.13 1wyl h GLU 10 CO 0.14 -0.08 0.55 1.05 -2.18 0.00 0.00 179.01 178.50 1wyl h GLU 11 N -0.12 0.91 -0.39 1.92 4.11 -1.97 -1.25 114.58 117.79 1wyl h GLU 11 Ca 0.25 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.52 1wyl h GLU 11 Cb 0.56 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1wyl h GLU 11 CO -0.80 0.60 -0.19 1.25 0.07 0.00 0.00 179.01 179.94 1wyl h LEU 12 N 0.94 0.74 0.45 3.06 5.85 -0.20 -2.42 115.31 123.73 1wyl h LEU 12 Ca 0.36 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1wyl h LEU 12 Cb 0.22 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1wyl h LEU 12 CO -0.13 0.93 -0.22 0.25 -0.34 0.00 0.00 178.44 178.93 1wyl h LEU 13 N 0.65 -0.52 0.09 2.25 5.85 0.64 -2.29 115.31 121.99 1wyl h LEU 13 Ca 0.10 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1wyl h LEU 13 Cb 0.68 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1wyl h LEU 13 CO 0.05 -0.20 -0.44 0.03 -0.34 0.00 0.00 178.44 177.55 1wyl h ARG 14 N -0.85 -0.63 -1.01 1.25 3.08 -1.36 0.21 114.38 115.07 1wyl h ARG 14 Ca -0.06 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.27 1wyl h ARG 14 Cb 0.57 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 30.64 1wyl h ARG 14 CO 0.10 -0.42 0.61 2.35 -1.07 0.00 0.00 179.97 181.55 1wyl h TRP 15 N -0.65 0.96 -0.25 3.04 7.01 -1.49 0.94 115.95 125.51 1wyl h TRP 15 Ca 0.02 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.93 1wyl h TRP 15 Cb 0.69 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1wyl h TRP 15 CO -0.40 0.09 -0.35 0.00 -2.79 0.00 0.00 178.44 174.99 1wyl h GLN 17 N 0.40 0.91 -0.52 0.00 4.20 0.18 0.32 115.11 120.60 1wyl h GLN 17 Ca 0.03 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1wyl h GLN 17 Cb 0.93 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1wyl h GLN 17 CO 0.08 0.60 0.19 0.93 -0.67 0.00 0.00 178.83 179.97 1wyl h GLU 18 N 0.94 0.78 0.36 1.46 5.08 -1.28 -0.36 114.58 121.56 1wyl h GLU 18 Ca 0.47 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1wyl h GLU 18 Cb 0.48 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wyl h GLU 18 CO -0.23 0.70 -0.17 1.96 -1.00 0.00 0.00 179.01 180.27 1wyl h GLN 19 N 0.70 -0.46 0.00 2.33 1.08 -1.19 -3.17 115.11 114.39 1wyl h GLN 19 Ca 0.17 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1wyl h GLN 19 Cb 0.22 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1wyl h GLN 19 CO -0.01 -0.27 0.21 1.79 -0.95 0.00 0.00 178.83 179.60 1wyl h THR 20 N -1.11 0.00 -2.81 -0.54 1.35 -0.49 -3.43 112.91 105.89 1wyl h THR 20 Ca -0.05 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.40 1wyl h THR 20 Cb 0.41 0.68 0.22 0.00 -1.73 0.00 0.00 68.15 67.72 1wyl h THR 20 CO 0.08 0.00 -0.31 0.00 -0.25 0.00 0.00 175.52 175.04 1wyl n ALA 21 N -1.88 -3.64 0.00 6.62 0.00 -0.14 -3.42 120.51 118.04 1wyl n ALA 21 Ca -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1wyl n ALA 21 Cb 0.26 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.57 1.15 3.64 0.00 0.00 -1.26 -4.92 105.19 105.37 1wyl n GLY 22 Ca 0.04 -0.01 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 1wyl n GLY 22 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wyl n TYR 23 N 0.00 1.83 -2.17 1.61 4.19 -1.22 -4.87 117.16 116.52 1wyl n TYR 23 Ca 0.00 0.50 -0.42 0.00 3.31 0.00 0.00 57.90 61.29 1wyl n TYR 23 Cb 0.00 -2.42 -0.03 0.00 0.49 0.00 0.00 39.34 37.38 1wyl n TYR 23 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1wyl s PRO 24 N 1.54 4.27 0.00 2.98 0.04 -1.26 -2.95 135.00 139.62 1wyl s PRO 24 Ca 0.87 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.94 1wyl s PRO 24 Cb -0.91 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1wyl s PRO 24 CO 0.50 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1wyl n GLY 25 N 3.70 2.91 3.60 0.56 0.00 -1.26 -5.01 105.19 109.70 1wyl n GLY 25 Ca 0.14 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.79 3.53 -0.61 1.61 1.01 -1.15 -4.92 120.40 118.08 1wyl s VAL 26 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.57 1wyl s VAL 26 Cb 0.00 -3.74 0.19 0.00 0.00 0.00 0.00 36.38 32.83 1wyl s VAL 26 CO 0.00 -0.49 0.52 1.57 0.00 0.00 0.00 175.10 176.70 1wyl n HIS 27 N 10.17 2.22 -2.22 5.22 -0.00 -1.26 -4.83 115.22 124.52 1wyl n HIS 27 Ca 0.22 -4.02 -0.40 0.00 0.46 0.00 0.00 57.72 53.98 1wyl n HIS 27 Cb 0.47 -0.41 -0.03 0.00 -0.12 0.00 0.00 29.99 29.90 1wyl n HIS 27 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1wyl s VAL 28 N -1.36 3.51 -0.15 3.57 1.01 -1.26 -4.76 120.40 120.96 1wyl s VAL 28 Ca 0.31 0.33 0.15 0.00 0.00 0.00 0.00 61.98 62.76 1wyl s VAL 28 Cb 0.03 -4.26 -0.21 0.00 0.00 0.00 0.00 36.38 31.95 1wyl s VAL 28 CO -0.14 -1.18 0.09 -0.24 0.00 0.00 0.00 175.10 173.63 1wyl n SER 29 N 11.34 0.96 -2.22 3.32 2.88 -1.26 -4.85 113.62 123.78 1wyl n SER 29 Ca 0.15 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1wyl n SER 29 Cb 0.51 0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 64.93 1wyl n SER 29 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1wyl n ASP 30 N -2.56 -0.73 -1.56 -3.46 2.03 -1.26 -5.06 116.55 103.94 1wyl n ASP 30 Ca -0.24 -2.17 -0.14 0.00 0.52 0.00 0.00 54.79 52.75 1wyl n ASP 30 Cb 0.98 1.41 0.12 0.00 -0.72 0.00 0.00 41.12 42.91 1wyl n ASP 30 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wyl n LEU 31 N 0.00 4.74 -0.00 -2.67 4.32 -1.26 -4.34 117.00 117.78 1wyl n LEU 31 Ca 0.01 -4.22 -0.00 0.00 -0.02 0.00 0.00 56.01 51.78 1wyl n LEU 31 Cb 0.35 -0.57 -0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1wyl n LEU 31 CO 0.18 1.62 -0.02 -0.24 -1.22 0.00 0.00 177.39 177.70 1wyl n SER 32 N -0.95 0.09 -0.04 -1.43 2.88 -1.26 -4.76 113.62 108.16 1wyl n SER 32 Ca 0.40 0.01 -0.04 0.00 -1.33 0.00 0.00 58.87 57.91 1wyl n SER 32 Cb 0.92 -0.21 -0.06 0.00 -0.75 0.00 0.00 64.21 64.12 1wyl n SER 32 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wyl n SER 33 N -2.59 3.09 -0.45 -3.46 2.88 -1.26 -4.31 113.62 107.52 1wyl n SER 33 Ca -0.00 0.00 0.41 0.00 -1.33 0.00 0.00 58.87 57.95 1wyl n SER 33 Cb 0.01 0.72 0.74 0.00 -0.75 0.00 0.00 64.21 64.93 1wyl n SER 33 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wyl h SER 34 N 0.00 0.00 0.14 -3.46 0.02 -1.91 0.88 113.55 109.23 1wyl h SER 34 Ca -0.20 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.40 1wyl h SER 34 Cb 1.44 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.92 1wyl h SER 34 CO 0.01 0.00 -2.19 0.79 -1.14 0.00 0.00 176.83 174.30 1wyl n TRP 35 N -3.90 0.29 -0.31 3.45 7.02 -1.26 -4.37 117.44 118.37 1wyl n TRP 35 Ca 0.32 0.11 0.14 0.00 -1.02 0.00 0.00 57.50 57.05 1wyl n TRP 35 Cb 1.59 -1.05 0.31 0.00 -2.42 0.00 0.00 31.31 29.73 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 1.01 1.31 -0.97 6.99 0.00 0.65 0.82 119.26 129.07 1wyl h ALA 36 Ca -0.47 0.25 0.24 0.00 0.00 0.00 0.00 54.91 54.92 1wyl h ALA 36 Cb 2.17 0.36 -0.18 0.00 0.00 0.00 0.00 17.79 20.14 1wyl h ALA 36 CO 0.04 -0.51 -0.09 -0.25 0.00 0.00 0.00 179.25 178.44 1wyl n ASP 37 N -5.27 -0.21 0.00 0.00 8.00 -1.14 -3.82 116.55 114.11 1wyl n ASP 37 Ca 0.23 1.66 0.00 0.00 0.71 0.00 0.00 54.79 57.38 1wyl n ASP 37 Cb 0.73 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.54 3.21 0.20 0.44 0.00 0.28 -4.35 105.19 103.44 1wyl n GLY 38 Ca 0.20 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 0.02 -0.32 0.99 3.38 -1.83 -2.91 115.31 114.64 1wyl h LEU 39 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1wyl h LEU 39 Cb 0.00 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1wyl h LEU 39 CO 0.00 0.04 -0.19 0.00 0.09 0.00 0.00 178.44 178.38 1wyl n ALA 40 N -2.52 -0.21 -0.36 1.53 0.00 -1.26 0.14 120.51 117.84 1wyl n ALA 40 Ca 0.06 0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.82 1wyl n ALA 40 Cb 0.24 0.14 0.21 0.00 0.00 0.00 0.00 19.45 20.05 1wyl n ALA 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wyl h LEU 41 N 0.00 0.93 -0.41 0.00 3.38 -1.80 -1.70 115.31 115.71 1wyl h LEU 41 Ca 0.05 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1wyl h LEU 41 Cb 0.13 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1wyl h LEU 41 CO -0.30 0.53 0.18 0.00 0.09 0.00 0.00 178.44 178.94 1wyl h ALA 43 N 1.24 -0.94 -0.74 0.00 0.00 0.36 -1.29 119.26 117.89 1wyl h ALA 43 Ca 0.18 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.04 1wyl h ALA 43 Cb 0.12 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.15 1wyl h ALA 43 CO -0.15 -1.00 0.01 1.25 0.00 0.00 0.00 179.25 179.35 1wyl h LEU 44 N -1.00 -0.33 0.93 0.00 5.85 -1.25 -0.03 115.31 119.49 1wyl h LEU 44 Ca -0.10 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1wyl h LEU 44 Cb 0.74 0.33 0.01 0.00 0.37 0.00 0.00 40.66 42.11 1wyl h LEU 44 CO 0.16 -0.17 -0.45 0.58 -0.34 0.00 0.00 178.44 178.23 1wyl h VAL 45 N 0.11 0.00 -0.52 1.05 2.07 -1.17 -1.36 116.25 116.43 1wyl h VAL 45 Ca 0.40 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.99 1wyl h VAL 45 Cb 0.70 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 1wyl h VAL 45 CO -0.64 0.00 -0.44 1.88 0.02 0.00 0.00 177.57 178.39 1wyl h TYR 46 N -1.26 -1.29 0.13 1.57 0.05 -0.56 -2.13 116.97 113.47 1wyl h TYR 46 Ca -0.13 0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.74 1wyl h TYR 46 Cb 0.96 0.64 -0.04 0.00 1.01 0.00 0.00 36.73 39.29 1wyl h TYR 46 CO 0.02 -0.43 -0.50 0.00 -1.05 0.00 0.00 178.16 176.19 1wyl h ARG 47 N -0.27 -0.70 -0.72 4.88 -0.00 -1.02 -1.53 114.38 115.03 1wyl h ARG 47 Ca 0.16 0.05 0.25 0.00 -0.50 0.00 0.00 59.98 59.94 1wyl h ARG 47 Cb 0.57 0.16 -0.13 0.00 0.00 0.00 0.00 29.97 30.57 1wyl h ARG 47 CO -0.65 -0.46 0.20 1.28 0.00 0.00 0.00 179.97 180.34 1wyl n LEU 48 N -5.31 0.09 -3.69 3.04 4.77 -0.52 -3.25 117.00 112.12 1wyl n LEU 48 Ca -0.08 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 1wyl n LEU 48 Cb 0.39 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 1wyl n LEU 48 CO 0.15 -1.29 -0.34 -1.58 -1.33 0.00 0.00 177.39 173.00 1wyl s GLN 49 N -5.36 0.58 0.00 3.23 0.74 -0.58 -4.98 119.66 113.29 1wyl s GLN 49 Ca -0.08 -0.82 0.15 0.00 0.05 0.00 0.00 55.36 54.66 1wyl s GLN 49 Cb 0.23 -1.82 0.73 0.00 1.10 0.00 0.00 33.01 33.25 1wyl s GLN 49 CO 0.56 -0.92 1.41 -0.35 -0.55 0.00 0.00 175.29 175.44 1wyl n PRO 50 N 4.98 0.19 0.09 1.67 -0.04 -1.17 -2.75 135.00 137.97 1wyl n PRO 50 Ca -0.04 0.15 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1wyl n PRO 50 Cb 0.43 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 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 2.43 0.29 -1.87 0.55 0.00 -1.92 -3.46 103.07 99.09 1wyl h GLY 51 Ca 0.00 -0.75 -0.54 0.00 0.00 0.00 0.00 47.33 46.04 1wyl h GLY 51 CO 0.00 0.66 0.43 1.08 0.00 0.00 0.00 176.54 178.70 1wyl s LEU 52 N -7.07 3.42 1.00 3.11 1.43 -1.11 -4.96 118.68 114.50 1wyl s LEU 52 Ca -0.05 2.39 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 1wyl s LEU 52 Cb 0.07 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 1wyl s LEU 52 CO 0.87 -2.08 -0.62 0.00 0.23 0.00 0.00 176.35 174.75 1wyl n LEU 53 N -2.38 -2.47 -4.75 1.79 -0.00 -1.26 -5.00 117.00 102.93 1wyl n LEU 53 Ca 0.14 -0.10 -0.22 0.00 -0.00 0.00 0.00 56.01 55.82 1wyl n LEU 53 Cb 0.50 -0.70 -0.06 0.00 -0.00 0.00 0.00 43.42 43.17 1wyl n LEU 53 CO 0.47 -2.76 -0.21 -1.61 -0.00 0.00 0.00 177.39 173.27 1wyl s GLU 54 N -2.72 2.59 0.00 1.47 2.02 -1.26 -4.94 118.70 115.86 1wyl s GLU 54 Ca 0.40 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 54.12 1wyl s GLU 54 Cb -0.00 -2.35 0.11 0.00 0.10 0.00 0.00 34.13 31.98 1wyl s GLU 54 CO 0.56 0.30 0.59 -0.35 0.02 0.00 0.00 175.26 176.38 1wyl n PRO 55 N -1.11 0.49 -0.28 0.39 -0.04 -1.26 -4.17 135.00 129.02 1wyl n PRO 55 Ca -0.06 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 63.64 1wyl n PRO 55 Cb 0.59 -1.06 0.41 0.00 -0.04 0.00 0.00 33.50 33.40 1wyl n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyl n SER 56 N -0.56 0.14 0.00 3.54 2.88 -1.26 0.25 113.62 118.61 1wyl n SER 56 Ca 0.01 0.86 -0.22 0.00 -1.33 0.00 0.00 58.87 58.20 1wyl n SER 56 Cb 0.01 -0.42 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1wyl h GLU 57 N 0.00 0.25 -0.17 -1.46 4.39 -2.00 -3.35 114.58 112.24 1wyl h GLU 57 Ca 0.54 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 59.85 1wyl h GLU 57 Cb 1.70 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 1wyl h GLU 57 CO -0.30 1.21 0.31 -0.07 -1.16 0.00 0.00 179.01 179.00 1wyl h LEU 58 N -0.01 0.00 -0.94 1.33 4.07 0.30 -1.05 115.31 119.01 1wyl h LEU 58 Ca -0.41 0.00 0.14 0.00 0.08 0.00 0.00 57.88 57.68 1wyl h LEU 58 Cb 1.98 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.63 1wyl h LEU 58 CO 0.07 0.00 0.56 1.56 -1.08 0.00 0.00 178.44 179.55 1wyl h GLN 59 N 0.00 0.81 -1.32 1.13 4.20 -1.17 -2.16 115.11 116.60 1wyl h GLN 59 Ca 0.08 -0.05 -0.64 0.00 0.06 0.00 0.00 58.65 58.11 1wyl h GLN 59 Cb 0.71 -0.18 -0.36 0.00 0.30 0.00 0.00 27.48 27.94 1wyl h GLN 59 CO -0.00 0.53 -0.03 0.41 -0.67 0.00 0.00 178.83 179.07 1wyl n GLY 60 N -1.33 5.98 3.85 3.46 0.00 -0.40 -5.01 105.19 111.74 1wyl n GLY 60 Ca 0.19 -2.59 -0.30 0.00 0.00 0.00 0.00 46.02 43.32 1wyl n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyl s LEU 61 N -3.74 2.41 0.35 0.99 1.43 -0.81 -5.11 118.68 114.20 1wyl s LEU 61 Ca 0.53 -1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.11 1wyl s LEU 61 Cb 0.43 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 1wyl s LEU 61 CO -0.14 -1.04 0.59 -0.83 0.23 0.00 0.00 176.35 175.15 1wyl s GLY 62 N -4.11 1.57 0.39 -3.19 0.00 -1.26 -4.93 107.32 95.79 1wyl s GLY 62 Ca 0.17 -0.70 0.20 0.00 0.00 0.00 0.00 44.72 44.38 1wyl s GLY 62 CO 0.11 -0.61 1.70 0.00 0.00 0.00 0.00 173.10 174.30 1wyl h ALA 63 N 1.03 2.26 0.00 3.20 0.00 -1.96 -1.46 119.26 122.34 1wyl h ALA 63 Ca -0.48 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1wyl h ALA 63 Cb 1.20 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wyl h ALA 63 CO 0.63 -0.78 -0.10 1.25 0.00 0.00 0.00 179.25 180.25 1wyl h LEU 64 N 0.31 0.00 -1.28 0.00 5.85 -1.89 -3.32 115.31 114.97 1wyl h LEU 64 Ca 0.69 -0.57 0.46 0.00 0.84 0.00 0.00 57.88 59.31 1wyl h LEU 64 Cb 1.81 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.69 1wyl h LEU 64 CO -0.42 0.84 0.79 -0.62 -0.34 0.00 0.00 178.44 178.70 1wyl n GLU 65 N -4.66 -0.04 0.07 1.25 -0.58 -0.64 -1.14 120.64 114.90 1wyl n GLU 65 Ca -0.08 1.28 -0.03 0.00 -0.42 0.00 0.00 57.16 57.92 1wyl n GLU 65 Cb 0.31 -2.47 -0.01 0.00 -0.57 0.00 0.00 31.44 28.70 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 1.69 -0.94 -1.12 0.62 0.00 -1.43 -3.06 119.26 115.03 1wyl h ALA 66 Ca 0.87 -0.04 0.40 0.00 0.00 0.00 0.00 54.91 56.15 1wyl h ALA 66 Cb 2.68 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 20.39 1wyl h ALA 66 CO -0.54 -0.92 0.66 1.15 0.00 0.00 0.00 179.25 179.59 1wyl h THR 67 N -0.19 0.11 -0.21 0.00 2.02 -1.23 0.19 112.91 113.59 1wyl h THR 67 Ca -0.02 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1wyl h THR 67 Cb 0.14 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.47 1wyl h THR 67 CO 0.03 0.02 -0.33 0.00 0.37 0.00 0.00 175.52 175.60 1wyl h ALA 68 N 1.82 -0.34 0.50 6.16 0.00 -1.29 -1.45 119.26 124.66 1wyl h ALA 68 Ca 0.82 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.75 1wyl h ALA 68 Cb 2.24 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 20.69 1wyl h ALA 68 CO -0.61 -0.79 -0.36 2.35 0.00 0.00 0.00 179.25 179.84 1wyl h TRP 69 N -0.36 -0.97 -0.89 0.00 7.01 -0.59 -1.83 115.95 118.32 1wyl h TRP 69 Ca 0.12 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.21 1wyl h TRP 69 Cb 0.55 0.36 -0.12 0.00 -2.10 0.00 0.00 29.16 27.85 1wyl h TRP 69 CO -0.46 -0.51 -0.46 0.00 -2.79 0.00 0.00 178.44 174.22 1wyl n ALA 70 N -2.59 -0.40 0.03 2.65 0.00 -1.12 0.23 120.51 119.32 1wyl n ALA 70 Ca -0.10 0.81 0.15 0.00 0.00 0.00 0.00 53.44 54.29 1wyl n ALA 70 Cb 0.35 -0.22 0.62 0.00 0.00 0.00 0.00 19.45 20.19 1wyl n ALA 70 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wyl h LEU 71 N 0.00 0.12 0.20 0.00 3.38 -1.17 0.29 115.31 118.13 1wyl h LEU 71 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1wyl h LEU 71 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wyl h LEU 71 CO -0.86 0.07 -0.09 0.50 0.09 0.00 0.00 178.44 178.15 1wyl h LYS 72 N 0.13 -0.25 0.00 1.13 3.64 0.38 -2.72 116.57 118.88 1wyl h LYS 72 Ca 0.20 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1wyl h LYS 72 Cb 0.63 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1wyl h LYS 72 CO -0.03 -0.17 0.03 0.28 -2.27 0.00 0.00 179.45 177.29 1wyl h VAL 73 N -0.91 0.00 -0.21 2.00 2.07 -0.08 0.36 116.25 119.48 1wyl h VAL 73 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1wyl h VAL 73 Cb 0.20 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1wyl h VAL 73 CO 0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1wyl n ALA 74 N -2.02 2.48 0.00 1.67 0.00 0.99 -3.00 120.51 120.64 1wyl n ALA 74 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1wyl n ALA 74 Cb 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1wyl n ALA 74 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wyl n GLU 75 N 0.98 3.15 -0.06 0.00 0.00 0.10 0.24 120.64 125.05 1wyl n GLU 75 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.12 1wyl n GLU 75 Cb 0.50 -1.00 -0.12 0.00 0.00 0.00 0.00 31.44 30.82 1wyl n GLU 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1wyl h ASN 76 N 0.00 0.15 0.00 4.31 2.35 -1.04 -3.31 115.58 118.04 1wyl h ASN 76 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 56.30 55.07 1wyl h ASN 76 Cb 0.79 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1wyl h ASN 76 CO 0.00 1.56 0.00 -0.62 -1.65 0.00 0.00 177.43 176.72 1wyl n GLU 77 N -4.17 0.00 0.21 0.81 1.02 -1.20 -4.44 120.64 112.88 1wyl n GLU 77 Ca -0.30 0.17 0.16 0.00 -0.02 0.00 0.00 57.16 57.17 1wyl n GLU 77 Cb 0.78 -0.66 0.81 0.00 -0.02 0.00 0.00 31.44 32.35 1wyl n GLU 77 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wyl h LEU 78 N 0.00 0.00 0.00 -4.62 3.38 -1.74 -3.45 115.31 108.88 1wyl h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wyl h LEU 78 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wyl h LEU 78 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1wyl n GLY 79 N -1.42 2.95 3.56 0.83 0.00 -1.12 -4.90 105.19 105.08 1wyl n GLY 79 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wyl n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wyl n ILE 80 N -2.00 0.00 -1.63 -0.61 2.08 0.66 -4.69 119.36 113.17 1wyl n ILE 80 Ca 0.00 -0.42 -0.48 0.00 0.56 0.00 0.00 62.75 62.41 1wyl n ILE 80 Cb 0.00 -1.92 -0.04 0.00 -0.75 0.00 0.00 39.64 36.92 1wyl n ILE 80 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1wyl n THR 81 N 8.74 0.49 -2.04 1.39 -1.04 -1.25 -3.87 114.28 116.70 1wyl n THR 81 Ca 0.46 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.05 61.96 1wyl n THR 81 Cb 0.43 -1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 67.72 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 0.12 2.65 0.30 -2.82 0.04 -1.26 -4.83 135.00 129.20 1wyl s PRO 82 Ca 0.76 0.63 0.10 0.00 0.04 0.00 0.00 61.00 62.52 1wyl s PRO 82 Cb -0.77 -4.38 0.46 0.00 0.04 0.00 0.00 34.50 29.85 1wyl s PRO 82 CO 0.47 -2.70 1.68 -0.24 0.04 0.00 0.00 177.00 176.25 1wyl h VAL 83 N 6.88 1.37 -3.82 -0.36 3.04 -1.94 -3.43 116.25 118.00 1wyl h VAL 83 Ca -0.26 -1.80 -0.68 0.00 -1.01 0.00 0.00 66.70 62.95 1wyl h VAL 83 Cb 1.16 1.95 -0.26 0.00 -2.01 0.00 0.00 31.29 32.13 1wyl h VAL 83 CO 1.21 0.52 -0.80 -0.69 -1.01 0.00 0.00 177.57 176.80 1wyl s VAL 84 N -3.85 2.81 0.10 1.51 1.01 -1.26 -5.03 120.40 115.69 1wyl s VAL 84 Ca -0.02 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 1wyl s VAL 84 Cb 0.13 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.33 1wyl s VAL 84 CO 0.76 0.57 1.34 -0.44 0.00 0.00 0.00 175.10 177.32 1wyl s SER 85 N -0.26 6.89 0.21 3.32 0.01 -1.26 -4.83 113.70 117.77 1wyl s SER 85 Ca 0.01 2.25 -0.01 0.00 1.31 0.00 0.00 55.95 59.51 1wyl s SER 85 Cb -0.13 -2.58 0.46 0.00 0.21 0.00 0.00 66.02 63.98 1wyl s SER 85 CO 0.03 -0.61 1.08 0.00 0.41 0.00 0.00 173.24 174.15 1wyl n ALA 86 N 3.94 0.30 0.02 1.44 0.00 -1.26 0.98 120.51 125.92 1wyl n ALA 86 Ca 0.11 0.75 -0.11 0.00 0.00 0.00 0.00 53.44 54.19 1wyl n ALA 86 Cb 0.43 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.41 -0.67 0.00 4.15 -1.95 -1.49 115.11 114.74 1wyl h GLN 87 Ca 0.39 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.93 1wyl h GLN 87 Cb 0.76 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.47 1wyl h GLN 87 CO -0.67 -0.28 0.32 0.00 -1.93 0.00 0.00 178.83 176.27 1wyl h ALA 88 N 0.35 0.90 0.31 3.38 0.00 0.25 0.73 119.26 125.18 1wyl h ALA 88 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wyl h ALA 88 Cb 0.55 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1wyl h ALA 88 CO -0.32 -0.07 -0.49 0.28 0.00 0.00 0.00 179.25 178.64 1wyl h VAL 89 N 0.56 0.05 0.49 0.00 2.07 -0.58 -0.06 116.25 118.77 1wyl h VAL 89 Ca 0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 1wyl h VAL 89 Cb 0.33 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1wyl h VAL 89 CO -0.26 0.00 -0.23 0.58 0.02 0.00 0.00 177.57 177.68 1wyl h VAL 90 N -0.86 0.00 -0.92 2.57 2.07 -1.02 -3.27 116.25 114.83 1wyl h VAL 90 Ca -0.03 -0.46 0.26 0.00 0.82 0.00 0.00 66.70 67.29 1wyl h VAL 90 Cb 0.80 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.40 1wyl h VAL 90 CO -0.17 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.46 1wyl n ALA 91 N -2.68 0.48 -1.36 1.67 0.00 0.25 -4.77 120.51 114.11 1wyl n ALA 91 Ca -0.08 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.34 1wyl n ALA 91 Cb 0.26 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.46 1.00 0.13 0.00 0.00 -0.04 -5.01 105.19 99.81 1wyl n GLY 92 Ca 0.22 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 0.95 2.01 -4.10 1.61 2.88 -1.19 -4.71 113.62 111.08 1wyl n SER 93 Ca 0.00 0.21 -0.36 0.00 -1.33 0.00 0.00 58.87 57.39 1wyl n SER 93 Cb 0.29 -0.80 -0.09 0.00 -0.75 0.00 0.00 64.21 62.86 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 -6.96 5.43 0.34 -3.46 1.01 -1.26 -4.91 116.67 106.87 1wyl s ASP 94 Ca -0.28 -3.09 0.13 0.00 0.71 0.00 0.00 52.55 50.02 1wyl s ASP 94 Cb 0.08 -1.87 0.60 0.00 1.01 0.00 0.00 42.92 42.74 1wyl s ASP 94 CO 0.66 -0.32 1.74 1.55 0.21 0.00 0.00 175.17 179.01 1wyl h PRO 95 N 6.76 0.00 0.05 8.23 0.13 -1.89 -3.21 132.00 142.06 1wyl h PRO 95 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1wyl h PRO 95 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wyl h PRO 95 CO 0.74 0.46 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.87 1wyl h LEU 96 N 0.00 -0.06 -0.40 1.56 4.07 -1.93 -3.15 115.31 115.40 1wyl h LEU 96 Ca -0.00 -0.34 0.07 0.00 0.08 0.00 0.00 57.88 57.68 1wyl h LEU 96 Cb 0.84 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.50 1wyl h LEU 96 CO 0.06 0.32 -0.40 1.23 -1.08 0.00 0.00 178.44 178.57 1wyl h GLY 97 N -0.44 -0.48 -0.34 0.83 0.00 -1.97 -1.39 103.07 99.28 1wyl h GLY 97 Ca -0.01 0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.90 1wyl h GLY 97 CO 0.01 -0.19 -0.46 -2.00 0.00 0.00 0.00 176.54 173.90 1wyl h LEU 98 N -0.31 -1.55 -0.54 3.11 5.85 -1.62 0.42 115.31 120.68 1wyl h LEU 98 Ca 0.15 0.23 0.11 0.00 0.84 0.00 0.00 57.88 59.20 1wyl h LEU 98 Cb 0.58 0.66 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 1wyl h LEU 98 CO -0.57 -0.38 -0.11 0.40 -0.34 0.00 0.00 178.44 177.45 1wyl h ILE 99 N -0.34 0.48 -0.06 4.05 2.04 -1.34 0.22 117.51 122.55 1wyl h ILE 99 Ca 0.12 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 1wyl h ILE 99 Cb 0.59 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1wyl h ILE 99 CO -0.59 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 177.39 1wyl h ALA 100 N 1.53 1.60 0.23 1.87 0.00 -0.11 -2.95 119.26 121.43 1wyl h ALA 100 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wyl h ALA 100 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wyl h ALA 100 CO -0.54 0.30 -0.11 -0.92 0.00 0.00 0.00 179.25 177.98 1wyl h TYR 101 N 0.09 -0.29 -0.99 0.00 3.20 0.29 -3.06 116.97 116.21 1wyl h TYR 101 Ca 0.02 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.06 1wyl h TYR 101 Cb 0.37 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.64 1wyl h TYR 101 CO 0.00 0.02 0.61 -0.07 -1.64 0.00 0.00 178.16 177.09 1wyl h LEU 102 N -0.61 0.74 -1.28 2.82 3.38 -1.04 0.61 115.31 119.94 1wyl h LEU 102 Ca -0.03 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.26 1wyl h LEU 102 Cb 0.44 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1wyl h LEU 102 CO 0.05 0.28 0.64 0.77 0.09 0.00 0.00 178.44 180.28 1wyl h SER 103 N 0.73 0.52 -0.84 -0.43 4.64 -1.41 0.29 113.55 117.06 1wyl h SER 103 Ca 0.55 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1wyl h SER 103 Cb 0.90 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 1wyl h SER 103 CO -0.33 0.13 0.53 0.45 -0.87 0.00 0.00 176.83 176.73 1wyl h HIS 104 N 0.48 1.09 0.13 4.77 3.86 -0.93 0.35 115.15 124.90 1wyl h HIS 104 Ca 0.58 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.79 1wyl h HIS 104 Cb 1.33 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1wyl h HIS 104 CO -0.00 0.72 -0.06 0.74 0.86 0.00 0.00 177.93 180.18 1wyl h PHE 105 N 1.16 -0.16 0.32 2.45 0.04 -0.50 -3.05 116.94 117.20 1wyl h PHE 105 Ca 0.31 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.06 1wyl h PHE 105 Cb -0.08 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1wyl h PHE 105 CO 0.00 0.21 -0.15 1.25 -0.60 0.00 0.00 178.31 179.02 1wyl h HIS 106 N -0.56 -0.40 -1.07 -0.55 2.76 -1.25 0.23 115.15 114.32 1wyl h HIS 106 Ca -0.02 -0.01 0.36 0.00 -2.20 0.00 0.00 60.37 58.50 1wyl h HIS 106 Cb 0.44 0.13 -0.10 0.00 1.55 0.00 0.00 27.41 29.44 1wyl h HIS 106 CO 0.05 -0.25 0.70 0.45 -1.30 0.00 0.00 177.93 177.58 1wyl n SER 107 N -3.56 0.13 -0.09 3.26 2.88 0.12 0.11 113.62 116.47 1wyl n SER 107 Ca -0.05 0.97 -0.18 0.00 -1.33 0.00 0.00 58.87 58.28 1wyl n SER 107 Cb 0.17 -0.48 -0.11 0.00 -0.75 0.00 0.00 64.21 63.04 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wyl h ALA 108 N 1.10 0.16 -0.83 -1.46 0.00 -1.45 -3.37 119.26 113.40 1wyl h ALA 108 Ca 0.65 -0.91 -0.59 0.00 0.00 0.00 0.00 54.91 54.05 1wyl h ALA 108 Cb 2.17 0.49 -0.24 0.00 0.00 0.00 0.00 17.79 20.21 1wyl h ALA 108 CO -0.29 0.46 0.76 1.19 0.00 0.00 0.00 179.25 181.37 1wyl n PHE 109 N -4.51 2.64 -0.12 0.00 3.72 0.23 -4.56 117.46 114.85 1wyl n PHE 109 Ca -0.23 -2.56 -0.12 0.00 -0.05 0.00 0.00 57.45 54.48 1wyl n PHE 109 Cb 0.57 -1.29 -0.02 0.00 -0.94 0.00 0.00 39.48 37.80 1wyl n PHE 109 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1wyl h LYS 110 N 2.14 0.82 -6.60 -1.08 1.57 0.58 -3.41 116.57 110.58 1wyl h LYS 110 Ca 0.51 -0.38 -0.56 0.00 -1.87 0.00 0.00 60.65 58.34 1wyl h LYS 110 Cb 0.69 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 1wyl h LYS 110 CO 1.31 1.01 0.97 -1.54 -0.57 0.00 0.00 179.45 180.63 1wyl s SER 111 N -6.58 6.57 0.04 0.86 1.04 -1.26 -5.01 113.70 109.37 1wyl s SER 111 Ca -0.12 0.68 0.01 0.00 0.48 0.00 0.00 55.95 56.99 1wyl s SER 111 Cb 0.10 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.68 1wyl s SER 111 CO 0.84 -1.26 0.05 0.61 0.98 0.00 0.00 173.24 174.46 1wyl n GLY 112 N 4.79 2.15 0.13 7.32 0.00 -1.26 -4.99 105.19 113.34 1wyl n GLY 112 Ca 0.14 -2.15 0.12 0.00 0.00 0.00 0.00 46.02 44.13 1wyl n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyl n PRO 113 N -0.99 0.20 -0.02 1.61 -0.04 -1.26 -3.36 135.00 131.13 1wyl n PRO 113 Ca 0.01 0.43 -0.07 0.00 -0.04 0.00 0.00 63.50 63.84 1wyl n PRO 113 Cb 0.04 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 1wyl n PRO 113 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wyl h SER 114 N 0.00 -0.07 -1.36 3.54 0.87 -1.99 -3.45 113.55 111.10 1wyl h SER 114 Ca 0.00 -0.35 -0.77 0.00 -1.23 0.00 0.00 61.79 59.45 1wyl h SER 114 Cb 0.36 0.02 0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1wyl h SER 114 CO 0.00 0.58 0.63 -0.24 -0.53 0.00 0.00 176.83 177.27 1wyl n SER 115 N -4.79 1.58 0.00 6.23 2.88 -1.21 -5.25 113.62 113.06 1wyl n SER 115 Ca -0.05 1.13 0.03 0.00 -1.33 0.00 0.00 58.87 58.65 1wyl n SER 115 Cb 0.20 -1.05 0.18 0.00 -0.75 0.00 0.00 64.21 62.79 1wyl n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42