#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyl n SER 2 N 0.00 -4.94 -3.67 1.61 7.64 -1.26 -5.00 113.62 108.00 1wyl n SER 2 Ca 0.00 -0.59 -0.21 0.00 1.01 0.00 0.00 58.87 59.08 1wyl n SER 2 Cb 0.00 -4.93 -0.18 0.00 -1.01 0.00 0.00 64.21 58.09 1wyl n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wyl s SER 3 N -3.63 1.33 0.00 6.43 1.04 -1.26 -5.07 113.70 112.55 1wyl s SER 3 Ca 0.42 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1wyl s SER 3 Cb -0.19 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1wyl s SER 3 CO 0.74 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.32 1wyl n GLY 4 N 5.28 -1.27 3.79 7.32 0.00 -1.26 -5.16 105.19 113.89 1wyl n GLY 4 Ca -0.04 0.87 -0.36 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 6.00 0.05 1.61 0.01 -1.26 -5.09 113.70 115.02 1wyl s SER 5 Ca 0.00 0.32 -0.18 0.00 1.31 0.00 0.00 55.95 57.41 1wyl s SER 5 Cb 0.00 -1.91 -0.06 0.00 0.21 0.00 0.00 66.02 64.26 1wyl s SER 5 CO 0.00 0.36 0.51 -0.94 0.41 0.00 0.00 173.24 173.58 1wyl s SER 6 N -0.72 6.97 -0.30 2.44 1.04 -1.26 -4.63 113.70 117.24 1wyl s SER 6 Ca 0.13 1.16 -0.08 0.00 0.48 0.00 0.00 55.95 57.63 1wyl s SER 6 Cb -0.12 -2.32 0.01 0.00 0.10 0.00 0.00 66.02 63.69 1wyl s SER 6 CO 0.03 0.29 0.29 0.61 0.98 0.00 0.00 173.24 175.44 1wyl n GLY 7 N 1.71 -2.21 3.54 7.32 0.00 -1.26 -5.08 105.19 109.22 1wyl n GLY 7 Ca -0.11 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.89 0.00 -0.55 2.61 -1.32 -1.26 -5.02 115.64 108.21 1wyl s THR 8 Ca 0.12 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.65 1wyl s THR 8 Cb -0.03 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.27 1wyl s THR 8 CO 0.60 0.00 1.11 0.00 -2.21 0.00 0.00 174.62 174.12 1wyl n GLN 9 N 0.34 2.27 0.31 7.08 3.00 -1.26 -4.34 117.38 124.78 1wyl n GLN 9 Ca -0.10 -1.26 -0.15 0.00 -0.01 0.00 0.00 57.00 55.48 1wyl n GLN 9 Cb 0.59 -1.72 -0.08 0.00 0.00 0.00 0.00 30.24 29.04 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 1.27 -0.77 -0.81 -1.09 4.57 -1.97 -1.66 114.58 114.12 1wyl h GLU 10 Ca 0.07 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.49 1wyl h GLU 10 Cb 1.29 0.18 -0.12 0.00 -0.16 0.00 0.00 28.75 29.94 1wyl h GLU 10 CO 0.27 -0.46 0.26 0.93 -1.18 0.00 0.00 179.01 178.83 1wyl h GLU 11 N -1.06 0.31 0.17 1.92 4.39 -1.98 0.13 114.58 118.46 1wyl h GLU 11 Ca -0.08 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1wyl h GLU 11 Cb 0.67 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1wyl h GLU 11 CO 0.13 0.20 -0.08 1.25 -1.16 0.00 0.00 179.01 179.36 1wyl h LEU 12 N 0.32 -0.20 0.63 1.33 5.85 -1.84 0.25 115.31 121.65 1wyl h LEU 12 Ca 0.48 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.11 1wyl h LEU 12 Cb 0.85 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 1wyl h LEU 12 CO -0.53 -0.07 -0.40 0.25 -0.34 0.00 0.00 178.44 177.35 1wyl h LEU 13 N -0.31 -1.02 -0.17 2.25 5.85 -0.21 0.21 115.31 121.91 1wyl h LEU 13 Ca -0.02 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1wyl h LEU 13 Cb 0.24 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1wyl h LEU 13 CO 0.04 -0.61 -0.19 0.03 -0.34 0.00 0.00 178.44 177.37 1wyl h ARG 14 N -0.97 -0.21 -0.93 1.25 3.08 -0.84 0.21 114.38 115.97 1wyl h ARG 14 Ca -0.08 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.09 1wyl h ARG 14 Cb 0.78 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.80 1wyl h ARG 14 CO 0.08 -0.14 0.56 2.35 -1.07 0.00 0.00 179.97 181.75 1wyl h TRP 15 N -0.22 1.02 -0.41 3.04 7.01 -0.43 -1.53 115.95 124.42 1wyl h TRP 15 Ca 0.11 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.03 1wyl h TRP 15 Cb 0.39 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1wyl h TRP 15 CO -0.32 0.41 -0.19 0.00 -2.79 0.00 0.00 178.44 175.54 1wyl h GLN 17 N 0.66 -0.19 -0.23 0.00 4.20 0.40 0.54 115.11 120.49 1wyl h GLN 17 Ca 0.09 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.85 1wyl h GLN 17 Cb 0.75 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 1wyl h GLN 17 CO 0.06 -0.12 0.01 0.93 -0.67 0.00 0.00 178.83 179.03 1wyl h GLU 18 N -0.19 0.08 0.00 1.46 4.39 -1.46 0.43 114.58 119.30 1wyl h GLU 18 Ca 0.15 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1wyl h GLU 18 Cb 0.42 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1wyl h GLU 18 CO -0.40 0.05 -0.09 1.96 -1.16 0.00 0.00 179.01 179.38 1wyl h GLN 19 N 0.08 0.00 -0.35 2.33 1.08 -1.21 -2.33 115.11 114.72 1wyl h GLN 19 Ca 0.11 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 1wyl h GLN 19 Cb 0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.50 1wyl h GLN 19 CO -0.18 0.09 0.01 0.25 -0.95 0.00 0.00 178.83 178.05 1wyl n THR 20 N -3.38 2.47 -0.12 -0.54 -2.24 0.18 -4.22 114.28 106.43 1wyl n THR 20 Ca -0.01 -2.27 -0.18 0.00 -2.27 0.00 0.00 64.05 59.32 1wyl n THR 20 Cb 0.26 -0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.83 1.42 -0.82 6.98 0.00 0.14 -4.51 120.51 122.89 1wyl n ALA 21 Ca 0.29 -1.09 -0.09 0.00 0.00 0.00 0.00 53.44 52.55 1wyl n ALA 21 Cb 1.01 -0.13 -0.13 0.00 0.00 0.00 0.00 19.45 20.20 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 2.23 2.67 3.08 0.00 0.00 -1.25 -4.74 105.19 107.18 1wyl n GLY 22 Ca -0.45 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 1.18 -0.35 -0.14 1.61 6.14 -1.26 -5.04 117.35 119.48 1wyl s TYR 23 Ca 0.52 0.82 -0.29 0.00 0.64 0.00 0.00 57.07 58.76 1wyl s TYR 23 Cb 0.25 0.07 -0.04 0.00 0.42 0.00 0.00 41.96 42.66 1wyl s TYR 23 CO 0.00 -0.24 1.56 -1.25 0.64 0.00 0.00 175.55 176.26 1wyl s PRO 24 N 1.21 4.03 0.00 4.97 0.04 -1.26 -3.26 135.00 140.73 1wyl s PRO 24 Ca -0.09 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1wyl s PRO 24 Cb -0.10 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1wyl s PRO 24 CO -0.08 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1wyl n GLY 25 N 4.25 3.03 3.57 0.56 0.00 -1.26 -5.02 105.19 110.32 1wyl n GLY 25 Ca 0.17 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 0.25 -3.46 1.61 0.31 -1.20 -4.88 118.33 110.95 1wyl n VAL 26 Ca 0.00 -0.49 -0.27 0.00 -0.01 0.00 0.00 64.34 63.57 1wyl n VAL 26 Cb 0.00 -2.46 -0.08 0.00 -0.91 0.00 0.00 33.84 30.39 1wyl n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wyl n HIS 27 N 12.13 3.49 -2.06 3.52 1.44 -1.26 -4.77 115.22 127.71 1wyl n HIS 27 Ca 0.33 -4.16 -0.40 0.00 -2.01 0.00 0.00 57.72 51.48 1wyl n HIS 27 Cb 0.43 -0.56 -0.03 0.00 0.12 0.00 0.00 29.99 29.95 1wyl n HIS 27 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wyl s VAL 28 N -2.34 3.45 -0.06 0.61 1.01 -1.26 -4.76 120.40 117.05 1wyl s VAL 28 Ca 0.38 0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.84 1wyl s VAL 28 Cb 0.13 -3.89 -0.19 0.00 0.00 0.00 0.00 36.38 32.43 1wyl s VAL 28 CO -0.03 -0.76 0.20 -1.54 0.00 0.00 0.00 175.10 172.97 1wyl n SER 29 N 11.64 1.93 -2.10 3.32 3.41 -1.26 -4.78 113.62 125.78 1wyl n SER 29 Ca 0.21 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.75 1wyl n SER 29 Cb 0.50 1.31 0.01 0.00 -0.26 0.00 0.00 64.21 65.77 1wyl n SER 29 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wyl n ASP 30 N -2.15 -1.24 -1.79 4.04 2.03 -1.26 -5.05 116.55 111.12 1wyl n ASP 30 Ca -0.09 -2.00 -0.20 0.00 0.52 0.00 0.00 54.79 53.02 1wyl n ASP 30 Cb 0.56 2.11 0.10 0.00 -0.72 0.00 0.00 41.12 43.17 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 5.33 0.00 -2.67 4.77 -1.26 -4.31 117.00 118.86 1wyl n LEU 31 Ca -0.04 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 1wyl n LEU 31 Cb 0.35 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1wyl n LEU 31 CO 0.17 1.64 0.00 -0.24 -1.33 0.00 0.00 177.39 177.63 1wyl n SER 32 N -0.92 0.00 -0.01 -1.43 2.88 -1.26 -4.91 113.62 107.98 1wyl n SER 32 Ca 0.45 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.00 1wyl n SER 32 Cb 0.93 -0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1wyl n SER 32 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wyl n SER 33 N -2.39 3.97 -0.02 -3.46 3.41 -1.26 -4.44 113.62 109.43 1wyl n SER 33 Ca 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 58.87 58.85 1wyl n SER 33 Cb 0.00 1.10 0.68 0.00 -0.26 0.00 0.00 64.21 65.72 1wyl n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wyl h SER 34 N 0.00 0.00 0.00 4.04 0.02 -1.91 0.90 113.55 116.59 1wyl h SER 34 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1wyl h SER 34 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1wyl h SER 34 CO 0.00 0.00 -0.82 0.79 -1.14 0.00 0.00 176.83 175.66 1wyl n TRP 35 N -3.64 0.00 0.19 3.45 7.02 -1.26 -4.44 117.44 118.75 1wyl n TRP 35 Ca 0.13 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.56 1wyl n TRP 35 Cb 0.90 -0.02 0.03 0.00 -2.42 0.00 0.00 31.31 29.80 1wyl n TRP 35 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wyl n ALA 36 N -1.42 3.52 0.00 6.99 0.00 0.31 -3.63 120.51 126.27 1wyl n ALA 36 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1wyl n ALA 36 Cb 0.26 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1wyl n ALA 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wyl n ASP 37 N 0.44 2.63 0.00 0.00 9.92 -1.24 -4.61 116.55 123.70 1wyl n ASP 37 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1wyl n ASP 37 Cb 0.67 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 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 3.23 2.16 0.34 0.44 0.00 -1.24 -4.10 105.19 106.01 1wyl n GLY 38 Ca 0.00 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.54 -0.49 0.99 3.38 -1.89 -1.11 115.31 115.66 1wyl h LEU 39 Ca 0.00 0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1wyl h LEU 39 Cb 0.00 0.50 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1wyl h LEU 39 CO 0.00 -0.33 -0.29 0.00 0.09 0.00 0.00 178.44 177.91 1wyl n ALA 40 N -3.20 -0.31 -0.37 1.53 0.00 -1.26 0.14 120.51 117.03 1wyl n ALA 40 Ca 0.21 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 54.05 1wyl n ALA 40 Cb 0.68 0.04 0.12 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 1.12 0.18 0.00 3.38 -1.51 -2.63 115.31 115.85 1wyl h LEU 41 Ca 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1wyl h LEU 41 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1wyl h LEU 41 CO -0.46 0.80 -0.28 0.00 0.09 0.00 0.00 178.44 178.59 1wyl h ALA 43 N 0.15 0.23 -0.24 0.00 0.00 -0.24 0.82 119.26 119.99 1wyl h ALA 43 Ca 0.02 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1wyl h ALA 43 Cb 0.53 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1wyl h ALA 43 CO -0.12 -0.47 -0.04 1.25 0.00 0.00 0.00 179.25 179.87 1wyl h LEU 44 N -0.02 -0.18 0.53 0.00 5.85 -1.16 0.67 115.31 121.00 1wyl h LEU 44 Ca 0.18 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1wyl h LEU 44 Cb 0.30 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1wyl h LEU 44 CO -0.40 -0.06 -0.26 0.58 -0.34 0.00 0.00 178.44 177.96 1wyl h VAL 45 N 0.02 0.00 -0.56 1.05 2.07 -0.40 -0.99 116.25 117.44 1wyl h VAL 45 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.73 1wyl h VAL 45 Cb 0.16 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.82 1wyl h VAL 45 CO -0.22 0.00 -0.32 1.88 0.02 0.00 0.00 177.57 178.92 1wyl h TYR 46 N -0.72 -0.88 0.09 1.57 0.05 -0.82 -2.19 116.97 114.07 1wyl h TYR 46 Ca -0.07 0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.78 1wyl h TYR 46 Cb 0.56 0.47 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 1wyl h TYR 46 CO 0.09 -0.38 -0.34 -0.09 -1.05 0.00 0.00 178.16 176.39 1wyl h ARG 47 N -0.17 -0.48 -1.10 4.88 9.65 -0.84 -1.14 114.38 125.17 1wyl h ARG 47 Ca 0.23 0.03 0.43 0.00 -1.10 0.00 0.00 59.98 59.57 1wyl h ARG 47 Cb 0.54 0.11 -0.16 0.00 -1.39 0.00 0.00 29.97 29.08 1wyl h ARG 47 CO -0.66 -0.32 0.65 1.28 2.80 0.00 0.00 179.97 183.72 1wyl n LEU 48 N -4.40 0.28 -3.71 3.80 4.77 -0.38 -3.13 117.00 114.24 1wyl n LEU 48 Ca -0.06 1.49 -0.30 0.00 -0.03 0.00 0.00 56.01 57.12 1wyl n LEU 48 Cb 0.27 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.49 1wyl n LEU 48 CO 0.10 -1.65 -0.30 -1.58 -1.33 0.00 0.00 177.39 172.63 1wyl s GLN 49 N -5.35 0.87 0.11 3.23 0.74 -0.46 -4.97 119.66 113.84 1wyl s GLN 49 Ca -0.08 -1.37 0.18 0.00 0.05 0.00 0.00 55.36 54.14 1wyl s GLN 49 Cb 0.31 -2.05 0.77 0.00 1.10 0.00 0.00 33.01 33.15 1wyl s GLN 49 CO 0.76 -1.05 1.56 -0.35 -0.55 0.00 0.00 175.29 175.66 1wyl n PRO 50 N 4.40 0.08 -0.02 1.67 -0.04 -1.06 -2.96 135.00 137.07 1wyl n PRO 50 Ca 0.02 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.64 1wyl n PRO 50 Cb 0.39 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.34 0.84 -1.87 0.55 0.00 -1.92 -3.46 103.07 99.56 1wyl h GLY 51 Ca 0.00 -1.19 -0.54 0.00 0.00 0.00 0.00 47.33 45.59 1wyl h GLY 51 CO 0.00 1.06 0.16 1.04 0.00 0.00 0.00 176.54 178.80 1wyl n LEU 52 N -3.98 3.62 -3.99 3.11 4.77 -1.16 -4.96 117.00 114.42 1wyl n LEU 52 Ca -0.08 0.59 -0.17 0.00 -0.03 0.00 0.00 56.01 56.33 1wyl n LEU 52 Cb 0.73 -1.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.51 1wyl n LEU 52 CO 0.52 -2.01 -0.05 0.00 -1.33 0.00 0.00 177.39 174.52 1wyl n LEU 53 N -2.48 -1.48 -4.78 2.23 -0.00 -1.26 -5.00 117.00 104.23 1wyl n LEU 53 Ca 0.13 -0.33 -0.24 0.00 -0.00 0.00 0.00 56.01 55.57 1wyl n LEU 53 Cb 0.50 -0.73 -0.05 0.00 -0.00 0.00 0.00 43.42 43.14 1wyl n LEU 53 CO 0.49 -3.09 -0.22 -1.61 -0.00 0.00 0.00 177.39 172.95 1wyl s GLU 54 N -3.26 2.79 0.00 1.47 2.02 -1.26 -4.96 118.70 115.49 1wyl s GLU 54 Ca 0.32 -1.05 0.08 0.00 0.02 0.00 0.00 54.97 54.34 1wyl s GLU 54 Cb -0.05 -2.52 0.47 0.00 0.10 0.00 0.00 34.13 32.13 1wyl s GLU 54 CO 0.31 0.43 0.92 -0.35 0.02 0.00 0.00 175.26 176.59 1wyl n PRO 55 N -0.79 0.49 -0.52 0.39 -0.04 -1.26 -4.05 135.00 129.23 1wyl n PRO 55 Ca -0.08 0.00 0.39 0.00 -0.04 0.00 0.00 63.50 63.77 1wyl n PRO 55 Cb 0.57 -1.25 0.61 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.03 -0.06 3.54 2.88 -1.26 0.10 113.62 118.10 1wyl n SER 56 Ca 0.06 0.82 -0.08 0.00 -1.33 0.00 0.00 58.87 58.34 1wyl n SER 56 Cb 0.03 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 1wyl n SER 56 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1wyl h GLU 57 N 0.00 0.00 -0.94 -1.46 4.11 -1.99 -3.34 114.58 110.95 1wyl h GLU 57 Ca 0.72 0.00 0.25 0.00 0.07 0.00 0.00 59.36 60.40 1wyl h GLU 57 Cb 2.79 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 31.91 1wyl h GLU 57 CO -0.07 0.52 0.47 -0.07 0.07 0.00 0.00 179.01 179.93 1wyl h LEU 58 N -1.00 0.43 -0.84 3.06 4.07 0.38 -0.26 115.31 121.15 1wyl h LEU 58 Ca -0.01 0.16 0.28 0.00 0.08 0.00 0.00 57.88 58.39 1wyl h LEU 58 Cb 0.55 0.12 -0.15 0.00 1.08 0.00 0.00 40.66 42.26 1wyl h LEU 58 CO -0.01 -0.01 0.21 0.00 -1.08 0.00 0.00 178.44 177.55 1wyl n GLN 59 N -5.02 -0.06 -2.06 1.13 10.64 -0.52 0.92 117.38 122.41 1wyl n GLN 59 Ca 0.25 1.21 -0.30 0.00 -1.83 0.00 0.00 57.00 56.33 1wyl n GLN 59 Cb 0.75 -2.03 0.03 0.00 -0.86 0.00 0.00 30.24 28.12 1wyl n GLN 59 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1wyl n GLY 60 N -1.33 6.01 0.53 2.61 0.00 -0.11 -4.76 105.19 108.15 1wyl n GLY 60 Ca 0.25 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.63 0.00 0.00 0.99 4.77 0.26 -5.09 117.00 117.31 1wyl n LEU 61 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1wyl n LEU 61 Cb 0.67 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1wyl n LEU 61 CO 0.46 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1wyl n GLY 62 N 3.10 -2.11 0.09 -0.72 0.00 -1.25 -4.86 105.19 99.44 1wyl n GLY 62 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.11 0.02 4.61 0.00 -1.96 -3.09 119.26 118.74 1wyl h ALA 63 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wyl h ALA 63 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wyl h ALA 63 CO 0.00 -0.33 -0.01 1.25 0.00 0.00 0.00 179.25 180.16 1wyl h LEU 64 N -0.57 -0.02 -1.39 0.00 5.85 -1.95 -3.29 115.31 113.93 1wyl h LEU 64 Ca -0.01 -0.74 0.46 0.00 0.84 0.00 0.00 57.88 58.43 1wyl h LEU 64 Cb 0.48 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.38 1wyl h LEU 64 CO 0.02 0.79 0.87 -0.33 -0.34 0.00 0.00 178.44 179.44 1wyl h GLU 65 N -0.89 0.04 0.61 1.25 4.39 -1.89 0.19 114.58 118.27 1wyl h GLU 65 Ca -0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1wyl h GLU 65 Cb 0.76 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1wyl h GLU 65 CO 0.00 0.03 -0.29 0.00 -1.16 0.00 0.00 179.01 177.59 1wyl h ALA 66 N 1.61 -0.82 -1.08 3.43 0.00 -1.60 -3.10 119.26 117.70 1wyl h ALA 66 Ca 0.86 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.88 1wyl h ALA 66 Cb 2.72 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 20.71 1wyl h ALA 66 CO -0.45 -0.82 0.66 1.15 0.00 0.00 0.00 179.25 179.79 1wyl h THR 67 N -1.11 0.36 -0.15 0.00 2.02 -0.72 -0.47 112.91 112.85 1wyl h THR 67 Ca -0.08 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.03 1wyl h THR 67 Cb 0.67 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 1wyl h THR 67 CO 0.14 0.06 -0.40 0.00 0.37 0.00 0.00 175.52 175.69 1wyl h ALA 68 N 1.71 -0.53 0.45 6.16 0.00 -1.34 -0.77 119.26 124.93 1wyl h ALA 68 Ca 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.60 1wyl h ALA 68 Cb 1.75 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 1wyl h ALA 68 CO -0.45 -0.89 -0.38 2.35 0.00 0.00 0.00 179.25 179.87 1wyl h TRP 69 N -0.46 -1.04 -0.68 0.00 7.01 -1.14 -1.95 115.95 117.69 1wyl h TRP 69 Ca 0.08 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.16 1wyl h TRP 69 Cb 0.61 0.40 -0.10 0.00 -2.10 0.00 0.00 29.16 27.96 1wyl h TRP 69 CO -0.48 -0.55 -0.57 0.00 -2.79 0.00 0.00 178.44 174.06 1wyl h ALA 70 N -0.46 -0.66 -0.03 2.65 0.00 -1.25 1.29 119.26 120.80 1wyl h ALA 70 Ca -0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wyl h ALA 70 Cb 0.72 1.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1wyl h ALA 70 CO -0.03 -1.01 0.17 -0.07 0.00 0.00 0.00 179.25 178.31 1wyl h LEU 71 N -0.22 0.00 0.00 0.00 3.38 -1.04 0.69 115.31 118.13 1wyl h LEU 71 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wyl h LEU 71 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wyl h LEU 71 CO -0.75 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 178.25 1wyl h LYS 72 N 0.00 0.00 -0.20 1.13 3.11 0.22 -3.07 116.57 117.76 1wyl h LYS 72 Ca 0.01 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.91 1wyl h LYS 72 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1wyl h LYS 72 CO -0.00 0.00 0.40 0.28 -2.81 0.00 0.00 179.45 177.32 1wyl h VAL 73 N -0.12 0.18 0.00 2.00 2.07 -0.15 0.69 116.25 120.92 1wyl h VAL 73 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1wyl h VAL 73 Cb 0.03 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1wyl h VAL 73 CO 0.00 0.00 -0.78 0.00 0.02 0.00 0.00 177.57 176.81 1wyl h ALA 74 N 1.38 0.62 0.00 1.67 0.00 -1.01 -1.87 119.26 120.06 1wyl h ALA 74 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wyl h ALA 74 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wyl h ALA 74 CO -0.00 0.80 -1.46 -1.91 0.00 0.00 0.00 179.25 176.67 1wyl n GLU 75 N -3.18 0.61 -0.08 0.00 0.00 0.21 0.15 120.64 118.35 1wyl n GLU 75 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 57.16 57.02 1wyl n GLU 75 Cb 0.79 -1.67 -0.04 0.00 0.00 0.00 0.00 31.44 30.52 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 -2.45 1.84 0.00 4.31 3.02 0.76 -3.87 115.26 118.87 1wyl n ASN 76 Ca -0.02 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1wyl n ASN 76 Cb 0.55 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1wyl n ASN 76 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wyl n GLU 77 N -4.55 0.00 -0.31 3.52 -0.58 -0.71 -4.28 120.64 113.74 1wyl n GLU 77 Ca -0.15 0.39 0.07 0.00 -0.42 0.00 0.00 57.16 57.05 1wyl n GLU 77 Cb 0.41 -0.89 0.28 0.00 -0.57 0.00 0.00 31.44 30.67 1wyl n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wyl h LEU 78 N 0.00 0.84 0.00 -4.62 3.38 -1.59 -3.46 115.31 109.86 1wyl h LEU 78 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wyl h LEU 78 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1wyl h LEU 78 CO 0.00 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1wyl n GLY 79 N -1.39 0.82 3.56 0.83 0.00 0.17 -4.96 105.19 104.21 1wyl n GLY 79 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.57 3.27 0.36 -0.61 -1.09 0.40 -4.74 121.20 116.21 1wyl s ILE 80 Ca 0.00 0.19 -0.28 0.00 -2.23 0.00 0.00 60.65 58.32 1wyl s ILE 80 Cb 0.00 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 37.16 1wyl s ILE 80 CO 0.00 -0.55 1.49 0.41 -1.23 0.00 0.00 174.94 175.06 1wyl n THR 81 N 7.48 1.80 -2.05 2.92 -1.04 -1.26 -3.43 114.28 118.69 1wyl n THR 81 Ca 0.26 -0.45 -0.27 0.00 -2.04 0.00 0.00 64.05 61.55 1wyl n THR 81 Cb 0.52 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.04 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 -1.76 2.53 0.54 -2.82 0.04 -1.26 -4.77 135.00 127.51 1wyl s PRO 82 Ca 0.56 -0.55 0.27 0.00 0.04 0.00 0.00 61.00 61.31 1wyl s PRO 82 Cb -0.49 -5.12 1.56 0.00 0.04 0.00 0.00 34.50 30.50 1wyl s PRO 82 CO 0.61 -3.56 2.15 -0.24 0.04 0.00 0.00 177.00 176.00 1wyl h VAL 83 N 6.94 0.63 -3.61 -0.36 3.04 -1.94 -3.41 116.25 117.54 1wyl h VAL 83 Ca 0.13 -0.29 -0.58 0.00 -1.01 0.00 0.00 66.70 64.96 1wyl h VAL 83 Cb 0.99 1.18 -0.32 0.00 -2.01 0.00 0.00 31.29 31.12 1wyl h VAL 83 CO 1.21 0.07 -0.84 -0.69 -1.01 0.00 0.00 177.57 176.31 1wyl s VAL 84 N -4.47 1.49 0.57 1.51 1.01 -1.26 -4.99 120.40 114.25 1wyl s VAL 84 Ca -0.04 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 1wyl s VAL 84 Cb 0.14 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1wyl s VAL 84 CO 0.58 0.43 1.13 -0.24 0.00 0.00 0.00 175.10 177.00 1wyl n SER 85 N 3.46 1.57 -0.18 3.32 2.88 -1.26 -4.78 113.62 118.62 1wyl n SER 85 Ca -0.20 0.89 0.13 0.00 -1.33 0.00 0.00 58.87 58.36 1wyl n SER 85 Cb 0.52 -1.46 0.45 0.00 -0.75 0.00 0.00 64.21 62.98 1wyl n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wyl h ALA 86 N 0.92 1.98 -0.13 -1.46 0.00 -1.95 -1.48 119.26 117.14 1wyl h ALA 86 Ca -0.49 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1wyl h ALA 86 Cb 1.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wyl h ALA 86 CO 0.54 -0.17 -0.42 0.37 0.00 0.00 0.00 179.25 179.56 1wyl h GLN 87 N 0.53 0.51 -0.59 0.00 4.15 -1.96 -3.09 115.11 114.66 1wyl h GLN 87 Ca 0.37 -0.38 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1wyl h GLN 87 Cb 0.70 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.40 1wyl h GLN 87 CO -0.13 1.00 0.29 0.00 -1.93 0.00 0.00 178.83 178.06 1wyl h ALA 88 N 0.51 0.77 0.38 3.38 0.00 -1.65 0.80 119.26 123.45 1wyl h ALA 88 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wyl h ALA 88 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1wyl h ALA 88 CO 0.09 -0.07 -0.29 0.28 0.00 0.00 0.00 179.25 179.26 1wyl h VAL 89 N 0.54 0.00 0.83 0.00 2.07 -1.39 -0.94 116.25 117.36 1wyl h VAL 89 Ca 0.27 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.75 1wyl h VAL 89 Cb 0.22 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1wyl h VAL 89 CO -0.20 0.00 -0.40 0.58 0.02 0.00 0.00 177.57 177.57 1wyl h VAL 90 N -0.64 0.00 -0.94 2.57 2.07 -1.45 -3.11 116.25 114.75 1wyl h VAL 90 Ca -0.05 -0.18 0.26 0.00 0.82 0.00 0.00 66.70 67.55 1wyl h VAL 90 Cb 0.53 0.01 -0.18 0.00 -1.52 0.00 0.00 31.29 30.13 1wyl h VAL 90 CO 0.01 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.64 1wyl n ALA 91 N -2.70 0.50 -1.42 1.67 0.00 0.28 -4.74 120.51 114.10 1wyl n ALA 91 Ca -0.14 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.31 1wyl n ALA 91 Cb 0.44 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.47 0.94 0.13 0.00 0.00 -0.37 -5.02 105.19 99.41 1wyl n GLY 92 Ca 0.23 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 0.75 1.98 -4.11 1.61 2.88 -1.15 -4.77 113.62 110.81 1wyl n SER 93 Ca 0.00 -0.03 -0.37 0.00 -1.33 0.00 0.00 58.87 57.14 1wyl n SER 93 Cb 0.29 -0.51 -0.08 0.00 -0.75 0.00 0.00 64.21 63.16 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 -6.72 5.57 0.22 -3.46 1.11 -1.26 -4.91 116.67 107.21 1wyl s ASP 94 Ca -0.35 -3.12 -0.02 0.00 0.18 0.00 0.00 52.55 49.24 1wyl s ASP 94 Cb 0.10 -1.90 0.19 0.00 1.07 0.00 0.00 42.92 42.39 1wyl s ASP 94 CO 0.59 -0.32 1.58 1.55 1.18 0.00 0.00 175.17 179.74 1wyl h PRO 95 N 6.76 0.58 -0.04 8.23 0.13 -1.89 -3.21 132.00 142.55 1wyl h PRO 95 Ca 0.05 -0.30 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1wyl h PRO 95 Cb 0.92 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wyl h PRO 95 CO 0.75 0.89 0.02 -0.07 -0.23 0.00 0.00 178.00 179.37 1wyl h LEU 96 N 0.47 0.06 -0.22 1.56 4.07 -1.98 -3.09 115.31 116.18 1wyl h LEU 96 Ca 0.04 -0.12 0.06 0.00 0.08 0.00 0.00 57.88 57.93 1wyl h LEU 96 Cb 0.93 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.58 1wyl h LEU 96 CO 0.08 0.16 -0.33 1.23 -1.08 0.00 0.00 178.44 178.51 1wyl h GLY 97 N -0.05 -0.39 -0.52 0.83 0.00 -1.95 -2.32 103.07 98.66 1wyl h GLY 97 Ca 0.02 0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.82 1wyl h GLY 97 CO -0.00 -0.21 -0.50 -2.00 0.00 0.00 0.00 176.54 173.82 1wyl h LEU 98 N -0.35 -1.72 -0.71 3.11 5.85 -1.55 0.29 115.31 120.23 1wyl h LEU 98 Ca 0.12 0.26 0.16 0.00 0.84 0.00 0.00 57.88 59.25 1wyl h LEU 98 Cb 0.54 0.75 -0.12 0.00 0.37 0.00 0.00 40.66 42.20 1wyl h LEU 98 CO -0.41 -0.35 0.04 0.40 -0.34 0.00 0.00 178.44 177.77 1wyl h ILE 99 N -0.27 0.42 -0.01 4.05 2.04 -1.37 0.44 117.51 122.81 1wyl h ILE 99 Ca 0.14 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1wyl h ILE 99 Cb 0.56 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1wyl h ILE 99 CO -0.68 0.02 -0.30 0.00 0.00 0.00 0.00 178.15 177.19 1wyl h ALA 100 N 1.64 1.49 0.32 1.87 0.00 -0.42 -2.67 119.26 121.50 1wyl h ALA 100 Ca 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wyl h ALA 100 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wyl h ALA 100 CO -0.59 0.38 -0.16 -0.92 0.00 0.00 0.00 179.25 177.97 1wyl h TYR 101 N 0.01 -0.40 -0.74 0.00 3.20 0.33 -3.19 116.97 116.17 1wyl h TYR 101 Ca -0.00 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.95 1wyl h TYR 101 Cb 0.54 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1wyl h TYR 101 CO 0.00 -0.07 0.39 -0.07 -1.64 0.00 0.00 178.16 176.76 1wyl h LEU 102 N -0.78 0.52 -1.03 2.82 3.38 -1.13 -1.22 115.31 117.87 1wyl h LEU 102 Ca -0.04 0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.27 1wyl h LEU 102 Cb 0.51 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.09 1wyl h LEU 102 CO 0.07 0.29 0.59 0.28 0.09 0.00 0.00 178.44 179.77 1wyl h SER 103 N 0.65 0.58 -0.85 -0.43 0.02 -1.47 0.44 113.55 112.49 1wyl h SER 103 Ca 0.37 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.50 1wyl h SER 103 Cb 0.38 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1wyl h SER 103 CO -0.27 -0.03 0.55 0.45 -1.14 0.00 0.00 176.83 176.40 1wyl h HIS 104 N 0.43 1.04 -0.26 3.45 3.86 -1.22 0.41 115.15 122.86 1wyl h HIS 104 Ca 0.69 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.91 1wyl h HIS 104 Cb 1.50 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 1wyl h HIS 104 CO -0.01 0.62 0.10 0.74 0.86 0.00 0.00 177.93 180.24 1wyl h PHE 105 N 1.09 0.41 0.35 2.45 -1.00 -0.17 -2.85 116.94 117.21 1wyl h PHE 105 Ca 0.33 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.06 1wyl h PHE 105 Cb -0.04 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.40 1wyl h PHE 105 CO -0.02 0.42 -0.17 1.25 -1.61 0.00 0.00 178.31 178.19 1wyl h HIS 106 N 0.27 -0.43 -1.45 -0.55 2.76 -1.04 0.15 115.15 114.85 1wyl h HIS 106 Ca 0.09 -0.01 0.45 0.00 -2.20 0.00 0.00 60.37 58.69 1wyl h HIS 106 Cb 0.19 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 29.21 1wyl h HIS 106 CO -0.00 -0.27 1.01 0.43 -1.30 0.00 0.00 177.93 177.80 1wyl n SER 107 N -4.20 0.07 -0.03 3.26 7.64 0.14 0.14 113.62 120.65 1wyl n SER 107 Ca -0.06 0.96 -0.22 0.00 1.01 0.00 0.00 58.87 60.57 1wyl n SER 107 Cb 0.18 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 62.78 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyl n ALA 108 N -2.68 0.89 -1.97 -0.43 0.00 -1.08 -4.36 120.51 110.88 1wyl n ALA 108 Ca 0.36 -0.59 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1wyl n ALA 108 Cb 1.54 -0.61 0.04 0.00 0.00 0.00 0.00 19.45 20.41 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 -3.73 3.11 -3.70 0.00 3.01 0.38 -5.00 117.46 111.52 1wyl n PHE 109 Ca -0.33 -2.62 -0.22 0.00 1.01 0.00 0.00 57.45 55.30 1wyl n PHE 109 Cb 0.95 -0.91 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 1wyl n PHE 109 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1wyl s LYS 110 N -3.88 2.49 -0.04 -1.08 -2.85 0.22 -4.75 119.74 109.85 1wyl s LYS 110 Ca 0.53 -1.57 -0.13 0.00 -1.00 0.00 0.00 55.97 53.80 1wyl s LYS 110 Cb 0.44 -2.31 0.02 0.00 -2.06 0.00 0.00 37.83 33.92 1wyl s LYS 110 CO -0.27 -0.14 0.29 0.45 0.10 0.00 0.00 175.35 175.78 1wyl s SER 111 N -4.07 -0.21 0.00 0.03 0.15 -1.26 -5.05 113.70 103.30 1wyl s SER 111 Ca 0.46 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1wyl s SER 111 Cb -0.02 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1wyl s SER 111 CO 0.27 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1wyl n GLY 112 N 1.75 0.44 3.71 9.45 0.00 -1.26 -5.04 105.19 114.23 1wyl n GLY 112 Ca -0.19 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.18 1wyl n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyl s PRO 113 N -0.36 4.32 0.18 1.61 0.04 -1.26 -4.98 135.00 134.54 1wyl s PRO 113 Ca 0.00 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1wyl s PRO 113 Cb 0.00 -3.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 1wyl s PRO 113 CO 0.00 -0.47 1.27 -1.54 0.04 0.00 0.00 177.00 176.30 1wyl s SER 114 N 1.37 6.96 0.38 6.66 1.04 -1.26 -5.03 113.70 123.83 1wyl s SER 114 Ca 0.64 2.31 0.04 0.00 0.48 0.00 0.00 55.95 59.42 1wyl s SER 114 Cb -0.35 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.14 1wyl s SER 114 CO 0.29 -0.49 0.13 -0.44 0.98 0.00 0.00 173.24 173.72 1wyl s SER 115 N 0.40 2.54 0.00 7.02 0.01 -1.26 -5.30 113.70 117.11 1wyl s SER 115 Ca 0.56 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1wyl s SER 115 Cb -0.35 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1wyl s SER 115 CO 0.36 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.72