#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyl s SER 2 N 0.00 6.67 -0.60 1.61 0.01 -1.26 -4.97 113.70 115.16 1wyl s SER 2 Ca 0.00 -2.14 -0.38 0.00 1.31 0.00 0.00 55.95 54.74 1wyl s SER 2 Cb 0.00 -2.39 -0.17 0.00 0.21 0.00 0.00 66.02 63.67 1wyl s SER 2 CO 0.00 -1.02 2.31 -1.20 0.41 0.00 0.00 173.24 173.75 1wyl n SER 3 N 6.36 1.03 -1.13 2.44 7.64 -1.26 -4.11 113.62 124.60 1wyl n SER 3 Ca 0.24 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1wyl n SER 3 Cb 0.49 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1wyl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyl n GLY 4 N 6.94 -4.39 3.67 0.23 0.00 -1.26 -4.91 105.19 105.47 1wyl n GLY 4 Ca 0.54 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1wyl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyl s SER 5 N -0.91 6.96 -0.08 1.61 0.01 -1.26 -4.95 113.70 115.07 1wyl s SER 5 Ca 0.00 1.18 -0.26 0.00 1.31 0.00 0.00 55.95 58.18 1wyl s SER 5 Cb 0.00 -2.46 -0.25 0.00 0.21 0.00 0.00 66.02 63.52 1wyl s SER 5 CO 0.00 -0.42 0.94 0.28 0.41 0.00 0.00 173.24 174.45 1wyl h SER 6 N 7.35 0.13 0.00 2.44 0.02 -1.92 -3.48 113.55 118.09 1wyl h SER 6 Ca -0.29 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.81 1wyl h SER 6 Cb 1.13 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1wyl h SER 6 CO 0.84 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 178.12 1wyl n GLY 7 N 1.25 -0.45 3.46 -3.77 0.00 -1.26 -5.19 105.19 99.23 1wyl n GLY 7 Ca -0.10 0.70 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 1wyl n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wyl s THR 8 N 0.00 0.00 0.64 2.61 -1.32 -1.26 -5.00 115.64 111.30 1wyl s THR 8 Ca 0.00 -0.03 0.22 0.00 -1.21 0.00 0.00 61.69 60.66 1wyl s THR 8 Cb 0.00 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 1wyl s THR 8 CO 0.00 -0.02 1.57 1.56 -2.21 0.00 0.00 174.62 175.52 1wyl h GLN 9 N 2.52 0.00 -0.79 7.08 7.50 -2.03 -0.93 115.11 128.47 1wyl h GLN 9 Ca -0.31 0.00 0.19 0.00 0.50 0.00 0.00 58.65 59.03 1wyl h GLN 9 Cb 1.23 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 28.62 1wyl h GLN 9 CO 0.39 0.00 0.06 1.49 -1.50 0.00 0.00 178.83 179.27 1wyl h GLU 10 N 0.00 0.13 -0.60 1.46 4.81 -1.99 0.20 114.58 118.59 1wyl h GLU 10 Ca 0.14 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1wyl h GLU 10 Cb 1.54 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.82 1wyl h GLU 10 CO -0.00 0.08 0.23 1.49 -0.73 0.00 0.00 179.01 180.08 1wyl h GLU 11 N 0.13 0.40 0.27 1.92 4.81 -1.59 -0.01 114.58 120.51 1wyl h GLU 11 Ca 0.44 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1wyl h GLU 11 Cb 0.81 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1wyl h GLU 11 CO -0.66 0.27 -0.13 1.25 -0.73 0.00 0.00 179.01 179.00 1wyl h LEU 12 N 0.41 -0.31 0.14 1.64 5.85 -0.86 -2.20 115.31 119.99 1wyl h LEU 12 Ca 0.30 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1wyl h LEU 12 Cb 0.36 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1wyl h LEU 12 CO -0.30 -0.05 -0.32 0.25 -0.34 0.00 0.00 178.44 177.68 1wyl h LEU 13 N -0.57 -0.94 -0.90 2.25 5.85 -0.75 -0.30 115.31 119.95 1wyl h LEU 13 Ca -0.04 0.09 0.25 0.00 0.84 0.00 0.00 57.88 59.02 1wyl h LEU 13 Cb 0.42 0.34 -0.14 0.00 0.37 0.00 0.00 40.66 41.64 1wyl h LEU 13 CO 0.06 -0.36 0.28 0.03 -0.34 0.00 0.00 178.44 178.11 1wyl h ARG 14 N -0.50 0.22 -0.81 1.25 3.08 -1.08 0.62 114.38 117.15 1wyl h ARG 14 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1wyl h ARG 14 Cb 0.48 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1wyl h ARG 14 CO -0.14 0.14 0.45 2.35 -1.07 0.00 0.00 179.97 181.70 1wyl h TRP 15 N 0.22 1.10 -0.36 3.04 7.01 -0.71 -2.13 115.95 124.12 1wyl h TRP 15 Ca 0.58 -0.02 -0.16 0.00 2.11 0.00 0.00 58.89 61.39 1wyl h TRP 15 Cb 1.19 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 1wyl h TRP 15 CO -0.23 0.76 -0.41 0.00 -2.79 0.00 0.00 178.44 175.77 1wyl h GLN 17 N 0.74 0.64 -0.95 0.00 4.20 -0.53 0.43 115.11 119.63 1wyl h GLN 17 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wyl h GLN 17 Cb 1.01 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 1wyl h GLN 17 CO 0.10 0.42 0.61 0.93 -0.67 0.00 0.00 178.83 180.22 1wyl h GLU 18 N 0.66 1.27 0.32 1.46 4.39 -1.37 0.58 114.58 121.89 1wyl h GLU 18 Ca 0.20 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1wyl h GLU 18 Cb -0.04 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.34 1wyl h GLU 18 CO -0.06 0.86 -0.15 1.96 -1.16 0.00 0.00 179.01 180.45 1wyl h GLN 19 N 1.30 -0.42 0.00 2.33 1.08 -1.24 -3.21 115.11 114.96 1wyl h GLN 19 Ca 0.35 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1wyl h GLN 19 Cb -0.11 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1wyl h GLN 19 CO -0.07 -0.28 0.00 1.79 -0.95 0.00 0.00 178.83 179.32 1wyl h THR 20 N -0.75 0.00 -0.18 -0.54 1.35 -0.94 -2.38 112.91 109.47 1wyl h THR 20 Ca -0.04 -0.04 0.05 0.00 -0.55 0.00 0.00 66.41 65.82 1wyl h THR 20 Cb 0.33 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1wyl h THR 20 CO 0.07 0.00 0.54 0.00 -0.25 0.00 0.00 175.52 175.88 1wyl h ALA 21 N 2.00 1.76 -1.02 6.62 0.00 0.17 -2.30 119.26 126.49 1wyl h ALA 21 Ca 0.00 -0.01 -0.76 0.00 0.00 0.00 0.00 54.91 54.14 1wyl h ALA 21 Cb 0.04 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.61 1wyl h ALA 21 CO 0.00 -0.63 1.27 0.41 0.00 0.00 0.00 179.25 180.30 1wyl n GLY 22 N -1.37 5.69 3.51 0.00 0.00 -0.90 -4.90 105.19 107.22 1wyl n GLY 22 Ca 0.03 -2.40 -0.11 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.43 -0.78 -0.23 1.61 6.14 -0.87 -4.94 117.35 114.86 1wyl s TYR 23 Ca 0.46 1.73 -0.29 0.00 0.64 0.00 0.00 57.07 59.62 1wyl s TYR 23 Cb 0.25 0.36 -0.02 0.00 0.42 0.00 0.00 41.96 42.97 1wyl s TYR 23 CO -0.19 -0.39 1.61 -1.25 0.64 0.00 0.00 175.55 175.97 1wyl s PRO 24 N 0.90 3.78 0.00 4.97 0.04 -1.26 -3.34 135.00 140.08 1wyl s PRO 24 Ca -0.05 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1wyl s PRO 24 Cb -0.05 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1wyl s PRO 24 CO -0.08 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1wyl n GLY 25 N 4.69 3.01 3.48 0.56 0.00 -1.26 -5.02 105.19 110.65 1wyl n GLY 25 Ca 0.19 -0.80 -0.48 0.00 0.00 0.00 0.00 46.02 44.93 1wyl n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wyl n VAL 26 N 0.00 0.18 -3.39 1.61 0.31 -1.21 -4.87 118.33 110.96 1wyl n VAL 26 Ca 0.00 -0.33 -0.26 0.00 -0.01 0.00 0.00 64.34 63.74 1wyl n VAL 26 Cb 0.00 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.01 1wyl n VAL 26 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1wyl n HIS 27 N 10.69 2.75 -1.68 3.52 -0.00 -1.26 -4.76 115.22 124.49 1wyl n HIS 27 Ca 0.40 -4.03 -0.35 0.00 0.46 0.00 0.00 57.72 54.21 1wyl n HIS 27 Cb 0.28 -0.51 -0.03 0.00 -0.12 0.00 0.00 29.99 29.61 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 -2.14 3.09 -0.67 3.57 1.01 -1.26 -4.71 120.40 119.28 1wyl s VAL 28 Ca 0.38 0.04 0.16 0.00 0.00 0.00 0.00 61.98 62.55 1wyl s VAL 28 Cb 0.15 -3.24 -0.18 0.00 0.00 0.00 0.00 36.38 33.11 1wyl s VAL 28 CO -0.04 -0.23 0.63 -0.24 0.00 0.00 0.00 175.10 175.22 1wyl n SER 29 N 15.42 0.79 -2.69 3.32 2.88 -1.26 -4.80 113.62 127.28 1wyl n SER 29 Ca 0.34 -0.79 -0.04 0.00 -1.33 0.00 0.00 58.87 57.06 1wyl n SER 29 Cb 0.53 1.07 0.02 0.00 -0.75 0.00 0.00 64.21 65.08 1wyl n SER 29 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wyl n ASP 30 N -1.43 -1.48 -1.27 -3.46 5.75 -1.26 -5.04 116.55 108.36 1wyl n ASP 30 Ca 0.02 -1.85 -0.07 0.00 -0.01 0.00 0.00 54.79 52.88 1wyl n ASP 30 Cb 0.26 2.42 0.18 0.00 -1.03 0.00 0.00 41.12 42.94 1wyl n ASP 30 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1wyl n LEU 31 N 0.00 4.27 0.00 -2.12 4.77 -1.26 -4.34 117.00 118.32 1wyl n LEU 31 Ca -0.03 -3.93 0.00 0.00 -0.03 0.00 0.00 56.01 52.02 1wyl n LEU 31 Cb 0.46 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1wyl n LEU 31 CO 0.18 1.38 0.00 -1.20 -1.33 0.00 0.00 177.39 176.42 1wyl n SER 32 N -1.08 0.00 -0.02 -1.43 7.64 -1.26 -4.78 113.62 112.69 1wyl n SER 32 Ca 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.22 1wyl n SER 32 Cb 0.99 -0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 63.92 1wyl n SER 32 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wyl n SER 33 N -2.25 3.25 -0.00 6.43 2.88 -1.26 -4.37 113.62 118.30 1wyl n SER 33 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 1wyl n SER 33 Cb 0.00 0.93 0.40 0.00 -0.75 0.00 0.00 64.21 64.79 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 0.00 -3.46 0.02 -1.92 1.37 113.55 109.57 1wyl h SER 34 Ca -0.12 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.67 1wyl h SER 34 Cb 1.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1wyl h SER 34 CO 0.01 0.00 -1.92 0.79 -1.14 0.00 0.00 176.83 174.57 1wyl n TRP 35 N -3.10 0.00 -0.34 3.45 7.02 -1.26 -4.56 117.44 118.65 1wyl n TRP 35 Ca 0.14 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.70 1wyl n TRP 35 Cb 1.20 -0.59 0.19 0.00 -2.42 0.00 0.00 31.31 29.69 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 1.05 0.84 -0.97 6.99 0.00 0.17 0.44 119.26 127.78 1wyl h ALA 36 Ca -0.24 0.35 0.34 0.00 0.00 0.00 0.00 54.91 55.36 1wyl h ALA 36 Cb 1.45 0.66 -0.18 0.00 0.00 0.00 0.00 17.79 19.72 1wyl h ALA 36 CO 0.01 -0.46 0.27 -0.25 0.00 0.00 0.00 179.25 178.83 1wyl n ASP 37 N -5.55 0.11 0.00 0.00 9.92 -1.21 -3.88 116.55 115.94 1wyl n ASP 37 Ca 0.18 1.63 0.00 0.00 -0.53 0.00 0.00 54.79 56.06 1wyl n ASP 37 Cb 0.58 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wyl n GLY 38 N -1.37 2.93 0.18 0.44 0.00 0.15 -4.32 105.19 103.20 1wyl n GLY 38 Ca 0.30 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 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 0.04 -0.31 0.99 3.38 -1.83 -2.97 115.31 114.60 1wyl h LEU 39 Ca 0.00 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1wyl h LEU 39 Cb 0.00 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1wyl h LEU 39 CO 0.00 0.05 -0.19 0.00 0.09 0.00 0.00 178.44 178.40 1wyl n ALA 40 N -2.47 -0.20 -0.21 1.53 0.00 -1.26 0.22 120.51 118.12 1wyl n ALA 40 Ca 0.04 0.27 0.16 0.00 0.00 0.00 0.00 53.44 53.91 1wyl n ALA 40 Cb 0.21 0.15 0.48 0.00 0.00 0.00 0.00 19.45 20.29 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 0.44 0.37 0.00 3.38 -1.80 -1.49 115.31 116.20 1wyl h LEU 41 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1wyl h LEU 41 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1wyl h LEU 41 CO -0.30 0.21 -0.18 0.00 0.09 0.00 0.00 178.44 178.27 1wyl h ALA 43 N -0.24 1.11 -0.43 0.00 0.00 0.30 0.15 119.26 120.14 1wyl h ALA 43 Ca -0.05 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wyl h ALA 43 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wyl h ALA 43 CO 0.08 -0.03 0.28 1.25 0.00 0.00 0.00 179.25 180.83 1wyl h LEU 44 N 0.64 0.47 0.45 0.00 5.85 -1.25 -0.97 115.31 120.50 1wyl h LEU 44 Ca 0.39 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 1wyl h LEU 44 Cb 0.45 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1wyl h LEU 44 CO -0.30 0.34 -0.22 0.58 -0.34 0.00 0.00 178.44 178.51 1wyl h VAL 45 N 0.56 0.00 -0.61 1.05 2.07 -0.61 -1.92 116.25 116.79 1wyl h VAL 45 Ca 0.16 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.48 1wyl h VAL 45 Cb -0.04 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.63 1wyl h VAL 45 CO -0.05 0.00 -0.53 1.88 0.02 0.00 0.00 177.57 178.89 1wyl h TYR 46 N -0.88 -1.64 0.17 1.57 0.05 -0.77 -2.00 116.97 113.46 1wyl h TYR 46 Ca -0.06 0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.82 1wyl h TYR 46 Cb 0.46 0.80 -0.04 0.00 1.01 0.00 0.00 36.73 38.96 1wyl h TYR 46 CO 0.04 -0.44 -0.47 -0.09 -1.05 0.00 0.00 178.16 176.14 1wyl h ARG 47 N -0.25 -0.69 -0.69 4.88 9.65 -1.28 -2.70 114.38 123.30 1wyl h ARG 47 Ca 0.13 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.13 1wyl h ARG 47 Cb 0.54 0.16 -0.09 0.00 -1.39 0.00 0.00 29.97 29.19 1wyl h ARG 47 CO -0.72 -0.46 -0.37 1.28 2.80 0.00 0.00 179.97 182.50 1wyl n LEU 48 N -5.16 -0.66 -4.09 3.80 4.77 -0.72 -3.32 117.00 111.62 1wyl n LEU 48 Ca -0.08 1.22 -0.34 0.00 -0.03 0.00 0.00 56.01 56.78 1wyl n LEU 48 Cb 0.38 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 1wyl n LEU 48 CO 0.16 -1.02 -0.27 -1.58 -1.33 0.00 0.00 177.39 173.35 1wyl s GLN 49 N -5.42 1.88 0.00 3.23 -0.44 -0.90 -4.95 119.66 113.05 1wyl s GLN 49 Ca -0.09 -1.74 0.15 0.00 -2.50 0.00 0.00 55.36 51.18 1wyl s GLN 49 Cb 0.09 -3.35 0.81 0.00 -1.64 0.00 0.00 33.01 28.92 1wyl s GLN 49 CO 0.44 -0.93 1.39 -0.35 0.50 0.00 0.00 175.29 176.34 1wyl n PRO 50 N 4.46 0.30 0.09 1.67 -0.04 -1.20 -2.75 135.00 137.53 1wyl n PRO 50 Ca -0.02 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1wyl n PRO 50 Cb 0.42 -1.50 -0.13 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 2.45 0.25 -1.58 0.55 0.00 -1.92 -3.46 103.07 99.36 1wyl h GLY 51 Ca 0.00 -0.63 -0.52 0.00 0.00 0.00 0.00 47.33 46.18 1wyl h GLY 51 CO 0.00 0.55 0.35 1.08 0.00 0.00 0.00 176.54 178.52 1wyl s LEU 52 N -7.08 3.22 0.00 3.11 1.43 -1.11 -5.00 118.68 113.25 1wyl s LEU 52 Ca -0.03 2.08 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 1wyl s LEU 52 Cb 0.08 -4.56 0.14 0.00 0.03 0.00 0.00 46.19 41.88 1wyl s LEU 52 CO 0.87 -2.08 0.33 0.00 0.23 0.00 0.00 176.35 175.69 1wyl n LEU 53 N -2.97 0.00 -4.60 1.79 -0.00 -1.26 -5.02 117.00 104.94 1wyl n LEU 53 Ca 0.11 -0.33 -0.24 0.00 -0.00 0.00 0.00 56.01 55.56 1wyl n LEU 53 Cb 0.52 -0.55 -0.08 0.00 -0.00 0.00 0.00 43.42 43.31 1wyl n LEU 53 CO 0.49 -2.12 -0.36 -1.61 -0.00 0.00 0.00 177.39 173.79 1wyl s GLU 54 N -3.03 2.09 0.00 1.47 2.02 -1.26 -4.94 118.70 115.05 1wyl s GLU 54 Ca 0.25 -1.58 0.08 0.00 0.02 0.00 0.00 54.97 53.74 1wyl s GLU 54 Cb -0.04 -2.01 0.48 0.00 0.10 0.00 0.00 34.13 32.66 1wyl s GLU 54 CO 0.21 0.30 0.93 -0.35 0.02 0.00 0.00 175.26 176.38 1wyl n PRO 55 N -0.84 0.49 -0.33 0.39 -0.04 -1.26 -4.10 135.00 129.32 1wyl n PRO 55 Ca -0.05 0.00 0.27 0.00 -0.04 0.00 0.00 63.50 63.68 1wyl n PRO 55 Cb 0.60 -1.25 0.45 0.00 -0.04 0.00 0.00 33.50 33.26 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 -0.75 0.12 -0.00 3.54 2.88 -1.26 0.24 113.62 118.38 1wyl n SER 56 Ca 0.06 0.87 -0.22 0.00 -1.33 0.00 0.00 58.87 58.25 1wyl n SER 56 Cb 0.03 -0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 62.92 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 0.24 -0.69 -1.46 5.08 -1.99 -3.35 114.58 112.41 1wyl h GLU 57 Ca 0.58 -0.41 0.18 0.00 -1.00 0.00 0.00 59.36 58.71 1wyl h GLU 57 Cb 1.92 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 31.29 1wyl h GLU 57 CO -0.27 1.20 0.48 -0.07 -1.00 0.00 0.00 179.01 179.35 1wyl h LEU 58 N -0.13 0.11 -0.62 1.33 4.07 0.27 -2.26 115.31 118.08 1wyl h LEU 58 Ca -0.39 0.01 0.10 0.00 0.08 0.00 0.00 57.88 57.68 1wyl h LEU 58 Cb 1.90 -0.01 -0.11 0.00 1.08 0.00 0.00 40.66 43.51 1wyl h LEU 58 CO 0.05 0.05 -0.39 1.56 -1.08 0.00 0.00 178.44 178.64 1wyl h GLN 59 N 0.12 -0.17 -2.06 1.13 1.08 -1.14 -2.06 115.11 112.00 1wyl h GLN 59 Ca 0.33 0.01 -0.72 0.00 -1.45 0.00 0.00 58.65 56.82 1wyl h GLN 59 Cb 1.15 0.04 -0.32 0.00 -0.05 0.00 0.00 27.48 28.30 1wyl h GLN 59 CO -0.04 -0.11 0.45 0.41 -0.95 0.00 0.00 178.83 178.59 1wyl n GLY 60 N -1.42 5.84 0.72 3.46 0.00 -0.85 -4.70 105.19 108.23 1wyl n GLY 60 Ca 0.04 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.31 0.00 0.00 0.99 4.77 -0.77 -5.08 117.00 116.60 1wyl n LEU 61 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1wyl n LEU 61 Cb 0.34 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wyl n LEU 61 CO 0.45 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1wyl n GLY 62 N 3.21 3.09 0.37 -0.72 0.00 -1.26 -4.83 105.19 105.05 1wyl n GLY 62 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.28 1wyl n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyl h ALA 63 N 0.00 1.69 0.02 4.61 0.00 -1.95 -2.00 119.26 121.64 1wyl h ALA 63 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1wyl h ALA 63 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wyl h ALA 63 CO 0.00 0.08 -0.70 1.25 0.00 0.00 0.00 179.25 179.88 1wyl h LEU 64 N 0.83 0.08 -1.28 0.00 5.85 -1.90 -3.34 115.31 115.55 1wyl h LEU 64 Ca 0.45 -0.80 0.38 0.00 0.84 0.00 0.00 57.88 58.75 1wyl h LEU 64 Cb 0.56 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.44 1wyl h LEU 64 CO -0.21 1.29 0.73 -0.33 -0.34 0.00 0.00 178.44 179.58 1wyl h GLU 65 N -0.87 0.19 0.00 1.25 4.39 -1.83 -2.08 114.58 115.63 1wyl h GLU 65 Ca -0.18 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1wyl h GLU 65 Cb 1.25 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1wyl h GLU 65 CO -0.06 0.12 0.00 0.00 -1.16 0.00 0.00 179.01 177.91 1wyl n ALA 66 N -2.44 -0.36 -0.37 3.43 0.00 -0.77 -2.94 120.51 117.06 1wyl n ALA 66 Ca 0.34 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.10 1wyl n ALA 66 Cb 1.22 0.00 0.55 0.00 0.00 0.00 0.00 19.45 21.22 1wyl n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wyl n THR 67 N -1.72 -0.25 0.06 0.00 -1.04 -0.83 0.72 114.28 111.22 1wyl n THR 67 Ca 0.00 1.57 -0.11 0.00 -2.04 0.00 0.00 64.05 63.47 1wyl n THR 67 Cb 0.00 -2.57 -0.05 0.00 -1.82 0.00 0.00 70.33 65.89 1wyl n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wyl h ALA 68 N 1.43 -0.38 0.96 2.41 0.00 -1.33 -1.57 119.26 120.78 1wyl h ALA 68 Ca 0.74 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.59 1wyl h ALA 68 Cb 2.27 0.49 0.01 0.00 0.00 0.00 0.00 17.79 20.56 1wyl h ALA 68 CO -0.46 -0.78 -0.46 2.35 0.00 0.00 0.00 179.25 179.90 1wyl h TRP 69 N -0.41 -1.19 -0.93 0.00 7.01 0.33 -2.25 115.95 118.50 1wyl h TRP 69 Ca 0.06 -0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.16 1wyl h TRP 69 Cb 0.50 0.39 -0.14 0.00 -2.10 0.00 0.00 29.16 27.82 1wyl h TRP 69 CO -0.31 -0.74 -0.41 0.00 -2.79 0.00 0.00 178.44 174.19 1wyl n ALA 70 N -2.65 -0.24 0.18 2.65 0.00 -1.07 0.23 120.51 119.60 1wyl n ALA 70 Ca -0.16 0.89 0.10 0.00 0.00 0.00 0.00 53.44 54.27 1wyl n ALA 70 Cb 0.51 -0.34 0.63 0.00 0.00 0.00 0.00 19.45 20.25 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 0.04 0.00 0.00 3.38 -1.23 0.14 115.31 117.64 1wyl h LEU 71 Ca 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1wyl h LEU 71 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wyl h LEU 71 CO -0.91 0.03 0.00 1.17 0.09 0.00 0.00 178.44 178.82 1wyl n LYS 72 N -4.50 0.00 -0.17 1.13 4.81 0.62 -1.77 118.16 118.27 1wyl n LYS 72 Ca 0.00 0.49 0.29 0.00 -0.87 0.00 0.00 58.31 58.23 1wyl n LYS 72 Cb 0.20 -1.15 0.72 0.00 0.02 0.00 0.00 35.03 34.82 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 -0.07 3.15 2.07 -0.79 0.39 116.25 121.42 1wyl h VAL 73 Ca 0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1wyl h VAL 73 Cb 0.00 0.49 0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1wyl h VAL 73 CO 0.00 0.00 -0.92 0.00 0.02 0.00 0.00 177.57 176.67 1wyl h ALA 74 N 1.42 0.23 0.00 1.67 0.00 -1.04 0.17 119.26 121.70 1wyl h ALA 74 Ca 0.43 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wyl h ALA 74 Cb 1.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1wyl h ALA 74 CO -0.00 0.69 -0.03 1.49 0.00 0.00 0.00 179.25 181.40 1wyl h GLU 75 N 0.46 0.00 0.00 0.00 4.22 0.44 2.08 114.58 121.78 1wyl h GLU 75 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1wyl h GLU 75 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1wyl h GLU 75 CO 0.18 0.00 -0.52 0.09 -2.18 0.00 0.00 179.01 176.59 1wyl n ASN 76 N -2.32 1.14 0.08 1.04 3.02 0.57 -3.84 115.26 114.94 1wyl n ASN 76 Ca 0.05 0.27 -0.04 0.00 -0.03 0.00 0.00 54.58 54.84 1wyl n ASN 76 Cb 0.44 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.60 -0.24 0.00 3.52 4.39 -0.84 -3.31 114.58 117.50 1wyl h GLU 77 Ca 0.00 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1wyl h GLU 77 Cb 0.52 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1wyl h GLU 77 CO 0.00 -0.16 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.45 1wyl h LEU 78 N -0.58 0.00 0.14 1.33 3.38 -1.37 -3.46 115.31 114.75 1wyl h LEU 78 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1wyl h LEU 78 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1wyl h LEU 78 CO 0.04 0.17 -0.05 0.61 0.09 0.00 0.00 178.44 179.30 1wyl n GLY 79 N -0.43 0.53 3.56 0.83 0.00 0.64 -4.92 105.19 105.40 1wyl n GLY 79 Ca -0.01 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.79 3.64 0.04 -0.61 -1.09 0.22 -4.80 121.20 116.81 1wyl s ILE 80 Ca 0.00 -0.44 -0.38 0.00 -2.23 0.00 0.00 60.65 57.59 1wyl s ILE 80 Cb 0.00 -4.45 -0.19 0.00 -1.58 0.00 0.00 42.46 36.24 1wyl s ILE 80 CO 0.00 -1.37 1.13 0.41 -1.23 0.00 0.00 174.94 173.88 1wyl n THR 81 N 7.38 0.10 -2.04 2.92 -1.04 -1.26 -3.90 114.28 116.44 1wyl n THR 81 Ca 0.34 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.96 1wyl n THR 81 Cb 0.49 -0.26 -0.03 0.00 -1.82 0.00 0.00 70.33 68.71 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 0.09 2.61 0.26 -2.82 0.04 -1.26 -4.82 135.00 129.09 1wyl s PRO 82 Ca 0.88 0.45 0.12 0.00 0.04 0.00 0.00 61.00 62.49 1wyl s PRO 82 Cb -1.15 -4.51 0.26 0.00 0.04 0.00 0.00 34.50 29.13 1wyl s PRO 82 CO 0.54 -2.86 1.54 -0.24 0.04 0.00 0.00 177.00 176.02 1wyl h VAL 83 N 6.96 1.35 -3.37 -0.36 3.04 -1.94 -3.45 116.25 118.49 1wyl h VAL 83 Ca -0.20 -2.33 -0.66 0.00 -1.01 0.00 0.00 66.70 62.51 1wyl h VAL 83 Cb 1.14 2.30 -0.17 0.00 -2.01 0.00 0.00 31.29 32.54 1wyl h VAL 83 CO 1.22 0.64 -0.78 -0.69 -1.01 0.00 0.00 177.57 176.94 1wyl s VAL 84 N -3.33 2.83 -0.11 1.51 1.01 -1.26 -5.01 120.40 116.03 1wyl s VAL 84 Ca 0.00 -1.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.06 1wyl s VAL 84 Cb 0.11 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1wyl s VAL 84 CO 0.76 -0.02 0.72 -0.94 0.00 0.00 0.00 175.10 175.62 1wyl s SER 85 N -2.49 6.94 0.26 3.32 1.04 -1.26 -4.93 113.70 116.59 1wyl s SER 85 Ca 0.21 1.14 0.13 0.00 0.48 0.00 0.00 55.95 57.91 1wyl s SER 85 Cb -0.09 -2.41 0.91 0.00 0.10 0.00 0.00 66.02 64.52 1wyl s SER 85 CO 0.12 -0.21 1.16 0.00 0.98 0.00 0.00 173.24 175.29 1wyl n ALA 86 N 4.30 0.69 0.02 5.32 0.00 -1.26 0.18 120.51 129.75 1wyl n ALA 86 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 53.44 54.08 1wyl n ALA 86 Cb 0.50 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 0.02 -0.54 0.00 4.15 -1.94 -2.80 115.11 114.00 1wyl h GLN 87 Ca 0.59 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 60.08 1wyl h GLN 87 Cb 1.52 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.15 1wyl h GLN 87 CO -0.59 0.12 0.22 0.00 -1.93 0.00 0.00 178.83 176.65 1wyl h ALA 88 N 0.90 0.69 -0.12 3.38 0.00 0.14 0.22 119.26 124.46 1wyl h ALA 88 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1wyl h ALA 88 Cb 0.11 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1wyl h ALA 88 CO -0.00 -0.16 -0.34 0.28 0.00 0.00 0.00 179.25 179.03 1wyl h VAL 89 N 0.42 0.26 0.14 0.00 2.07 -1.22 0.21 116.25 118.14 1wyl h VAL 89 Ca 0.26 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1wyl h VAL 89 Cb 0.26 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1wyl h VAL 89 CO -0.24 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 177.86 1wyl h VAL 90 N -0.42 0.99 0.00 2.57 2.07 -1.21 -2.48 116.25 117.77 1wyl h VAL 90 Ca 0.09 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wyl h VAL 90 Cb 0.56 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1wyl h VAL 90 CO -0.36 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.41 1wyl n ALA 91 N -2.32 0.94 -1.07 1.67 0.00 0.74 -4.71 120.51 115.76 1wyl n ALA 91 Ca -0.09 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1wyl n ALA 91 Cb 0.20 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.44 0.69 0.16 0.00 0.00 0.73 -4.74 105.19 100.58 1wyl n GLY 92 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1wyl n GLY 92 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wyl h SER 93 N 0.00 0.10 -3.98 1.61 0.02 -1.84 -3.37 113.55 106.10 1wyl h SER 93 Ca -0.15 -0.05 -0.66 0.00 -0.84 0.00 0.00 61.79 60.09 1wyl h SER 93 Cb 0.60 -0.03 -0.39 0.00 0.14 0.00 0.00 62.40 62.72 1wyl h SER 93 CO 0.22 0.64 -0.49 -1.81 -1.14 0.00 0.00 176.83 174.24 1wyl s ASP 94 N -6.88 4.82 0.17 3.07 1.01 -1.26 -4.93 116.67 112.68 1wyl s ASP 94 Ca -0.03 -3.21 -0.08 0.00 0.71 0.00 0.00 52.55 49.94 1wyl s ASP 94 Cb 0.13 -1.72 0.03 0.00 1.01 0.00 0.00 42.92 42.37 1wyl s ASP 94 CO 0.77 -0.23 1.51 1.55 0.21 0.00 0.00 175.17 178.97 1wyl h PRO 95 N 6.37 0.82 -0.24 8.23 0.13 -1.92 -3.22 132.00 142.17 1wyl h PRO 95 Ca 0.01 -0.44 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wyl h PRO 95 Cb 0.87 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1wyl h PRO 95 CO 0.72 1.07 0.14 -0.07 -0.23 0.00 0.00 178.00 179.63 1wyl h LEU 96 N 0.67 0.30 -0.10 1.56 4.07 -1.92 -2.79 115.31 117.09 1wyl h LEU 96 Ca 0.05 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 57.97 1wyl h LEU 96 Cb 0.97 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.57 1wyl h LEU 96 CO 0.09 0.28 -0.54 1.23 -1.08 0.00 0.00 178.44 178.42 1wyl h GLY 97 N 0.29 -1.10 -0.07 0.83 0.00 -1.96 -1.53 103.07 99.53 1wyl h GLY 97 Ca 0.09 0.68 0.05 0.00 0.00 0.00 0.00 47.33 48.14 1wyl h GLY 97 CO -0.01 -0.21 -0.44 -2.00 0.00 0.00 0.00 176.54 173.88 1wyl h LEU 98 N -0.61 -1.39 -0.88 3.11 5.85 -1.58 0.15 115.31 119.96 1wyl h LEU 98 Ca 0.03 0.19 0.23 0.00 0.84 0.00 0.00 57.88 59.17 1wyl h LEU 98 Cb 0.69 0.57 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 1wyl h LEU 98 CO -0.42 -0.42 0.15 0.40 -0.34 0.00 0.00 178.44 177.81 1wyl h ILE 99 N -0.47 0.25 -0.26 4.05 2.04 -1.19 0.19 117.51 122.13 1wyl h ILE 99 Ca 0.08 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1wyl h ILE 99 Cb 0.62 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1wyl h ILE 99 CO -0.44 0.03 -0.10 0.00 0.00 0.00 0.00 178.15 177.63 1wyl h ALA 100 N 1.81 0.36 -0.06 1.87 0.00 -0.14 -2.90 119.26 120.21 1wyl h ALA 100 Ca 0.54 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1wyl h ALA 100 Cb 1.07 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1wyl h ALA 100 CO -0.72 0.20 -0.34 -0.92 0.00 0.00 0.00 179.25 177.48 1wyl h TYR 101 N 0.26 -0.95 -0.38 0.00 3.20 0.20 -2.29 116.97 117.01 1wyl h TYR 101 Ca 0.06 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.04 1wyl h TYR 101 Cb 0.60 0.42 -0.07 0.00 1.54 0.00 0.00 36.73 39.22 1wyl h TYR 101 CO 0.06 -0.42 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.99 1wyl h LEU 102 N -0.46 -0.36 -0.88 2.82 3.38 -1.22 -1.52 115.31 117.08 1wyl h LEU 102 Ca 0.07 0.11 0.29 0.00 0.09 0.00 0.00 57.88 58.45 1wyl h LEU 102 Cb 0.57 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.40 1wyl h LEU 102 CO -0.31 -0.13 0.20 -0.24 0.09 0.00 0.00 178.44 178.05 1wyl n SER 103 N -5.30 0.06 -0.22 -0.43 2.88 -0.87 0.19 113.62 109.94 1wyl n SER 103 Ca 0.02 1.48 -0.01 0.00 -1.33 0.00 0.00 58.87 59.02 1wyl n SER 103 Cb 0.21 -0.61 0.10 0.00 -0.75 0.00 0.00 64.21 63.16 1wyl n SER 103 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1wyl h HIS 104 N 0.00 0.59 0.44 0.66 3.86 -1.21 0.73 115.15 120.21 1wyl h HIS 104 Ca 0.62 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.83 1wyl h HIS 104 Cb 1.45 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1wyl h HIS 104 CO -0.27 0.25 -0.25 0.74 0.86 0.00 0.00 177.93 179.26 1wyl h PHE 105 N 0.59 -0.65 0.06 2.45 -1.00 0.19 -2.97 116.94 115.61 1wyl h PHE 105 Ca 0.30 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.09 1wyl h PHE 105 Cb 0.25 0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.99 1wyl h PHE 105 CO -0.10 -0.38 -0.49 1.25 -1.61 0.00 0.00 178.31 176.98 1wyl h HIS 106 N -0.64 -1.42 -0.80 -0.55 2.76 -1.39 0.20 115.15 113.32 1wyl h HIS 106 Ca -0.06 0.04 0.32 0.00 -2.20 0.00 0.00 60.37 58.47 1wyl h HIS 106 Cb 0.50 0.61 -0.12 0.00 1.55 0.00 0.00 27.41 29.95 1wyl h HIS 106 CO 0.04 -0.56 0.46 0.45 -1.30 0.00 0.00 177.93 177.02 1wyl n SER 107 N -5.47 0.23 -0.07 3.26 2.88 0.24 0.10 113.62 114.79 1wyl n SER 107 Ca -0.07 1.15 -0.20 0.00 -1.33 0.00 0.00 58.87 58.42 1wyl n SER 107 Cb 0.40 -0.56 -0.12 0.00 -0.75 0.00 0.00 64.21 63.17 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 1.38 0.20 -0.67 -1.46 0.00 -1.02 -3.36 119.26 114.32 1wyl h ALA 108 Ca 0.62 -1.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.02 1wyl h ALA 108 Cb 1.74 0.52 -0.19 0.00 0.00 0.00 0.00 17.79 19.86 1wyl h ALA 108 CO -0.50 0.61 0.59 1.19 0.00 0.00 0.00 179.25 181.13 1wyl n PHE 109 N -4.32 2.14 -2.31 0.00 3.01 0.21 -4.96 117.46 111.23 1wyl n PHE 109 Ca -0.26 -2.33 -0.42 0.00 1.01 0.00 0.00 57.45 55.46 1wyl n PHE 109 Cb 0.70 -1.16 -0.03 0.00 -0.01 0.00 0.00 39.48 38.98 1wyl n PHE 109 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1wyl s LYS 110 N -2.54 4.40 0.33 -1.08 1.02 0.28 -4.79 119.74 117.36 1wyl s LYS 110 Ca 0.45 1.92 -0.19 0.00 0.02 0.00 0.00 55.97 58.18 1wyl s LYS 110 Cb 0.35 -3.28 0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1wyl s LYS 110 CO -0.04 -0.29 0.76 0.45 -0.92 0.00 0.00 175.35 175.31 1wyl s SER 111 N 0.84 -0.13 0.00 2.83 0.15 -1.26 -5.08 113.70 111.05 1wyl s SER 111 Ca 0.59 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1wyl s SER 111 Cb -0.33 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1wyl s SER 111 CO 0.32 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.86 1wyl n GLY 112 N -0.49 0.18 0.02 9.45 0.00 -1.26 -4.61 105.19 108.47 1wyl n GLY 112 Ca -0.06 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.03 -3.01 1.61 -0.04 -1.26 -4.72 135.00 127.60 1wyl n PRO 113 Ca 0.00 0.28 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 1wyl n PRO 113 Cb 0.00 -1.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.86 1wyl n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyl s SER 114 N -3.16 7.25 0.20 3.54 0.15 -1.26 -5.07 113.70 115.34 1wyl s SER 114 Ca 0.07 1.49 0.11 0.00 0.70 0.00 0.00 55.95 58.32 1wyl s SER 114 Cb 0.09 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1wyl s SER 114 CO 0.28 0.10 -0.24 -0.94 1.20 0.00 0.00 173.24 173.64 1wyl s SER 115 N -0.49 3.41 0.00 5.45 1.04 -1.26 -4.84 113.70 117.02 1wyl s SER 115 Ca 0.37 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1wyl s SER 115 Cb -0.21 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1wyl s SER 115 CO 0.24 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.18