#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 4.38 -0.21 1.61 1.04 -1.26 -5.06 113.70 114.21 1wyl s SER 2 Ca 0.00 -0.63 -0.12 0.00 0.48 0.00 0.00 55.95 55.68 1wyl s SER 2 Cb 0.00 -0.77 -0.19 0.00 0.10 0.00 0.00 66.02 65.16 1wyl s SER 2 CO 0.00 0.05 0.07 -1.54 0.98 0.00 0.00 173.24 172.79 1wyl n SER 3 N -0.48 1.98 0.00 7.02 3.41 -1.26 -4.97 113.62 119.31 1wyl n SER 3 Ca -0.08 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1wyl n SER 3 Cb 0.57 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1wyl n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyl n GLY 4 N 1.68 -2.03 3.22 5.00 0.00 -1.26 -4.97 105.19 106.82 1wyl n GLY 4 Ca -0.39 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.31 1wyl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyl s SER 5 N -1.02 0.33 0.50 1.61 1.04 -1.26 -5.16 113.70 109.74 1wyl s SER 5 Ca 0.00 -1.40 -0.08 0.00 0.48 0.00 0.00 55.95 54.95 1wyl s SER 5 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1wyl s SER 5 CO 0.00 -0.83 0.84 -0.55 0.98 0.00 0.00 173.24 173.68 1wyl s SER 6 N -3.19 6.32 0.00 7.02 0.15 -1.26 -4.72 113.70 118.02 1wyl s SER 6 Ca 0.39 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1wyl s SER 6 Cb 0.07 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1wyl s SER 6 CO 0.13 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1wyl n GLY 7 N -2.15 1.79 3.68 9.45 0.00 -1.26 -5.08 105.19 111.63 1wyl n GLY 7 Ca 0.02 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 2.28 -0.50 2.61 -1.32 -1.26 -4.90 115.64 112.56 1wyl s THR 8 Ca 0.00 0.09 0.05 0.00 -1.21 0.00 0.00 61.69 60.62 1wyl s THR 8 Cb 0.00 -2.20 0.36 0.00 -1.51 0.00 0.00 72.50 69.16 1wyl s THR 8 CO 0.00 -0.12 1.21 0.00 -2.21 0.00 0.00 174.62 173.50 1wyl n GLN 9 N -4.13 2.41 0.39 7.08 1.13 -1.26 -4.45 117.38 118.54 1wyl n GLN 9 Ca 0.11 -1.46 -0.18 0.00 -1.94 0.00 0.00 57.00 53.53 1wyl n GLN 9 Cb 0.52 -1.76 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 1wyl n GLN 9 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1wyl h GLU 10 N 1.40 -1.06 0.00 -1.09 4.81 -1.95 0.21 114.58 116.90 1wyl h GLU 10 Ca 0.10 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1wyl h GLU 10 Cb 1.43 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1wyl h GLU 10 CO 0.33 -0.71 0.20 1.05 -0.73 0.00 0.00 179.01 179.15 1wyl h GLU 11 N -1.10 0.00 0.00 1.92 9.09 -1.91 -1.38 114.58 121.19 1wyl h GLU 11 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 1wyl h GLU 11 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1wyl h GLU 11 CO 0.08 0.00 -0.24 1.25 0.05 0.00 0.00 179.01 180.15 1wyl h LEU 12 N 0.00 0.00 -0.31 3.06 5.85 -1.58 -3.02 115.31 119.31 1wyl h LEU 12 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1wyl h LEU 12 Cb 0.40 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 1wyl h LEU 12 CO 0.00 0.62 -0.16 0.25 -0.34 0.00 0.00 178.44 178.81 1wyl h LEU 13 N -1.00 -0.52 0.50 2.25 5.85 -0.18 0.60 115.31 122.81 1wyl h LEU 13 Ca 0.00 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1wyl h LEU 13 Cb 0.24 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1wyl h LEU 13 CO 0.00 -0.19 -0.35 0.03 -0.34 0.00 0.00 178.44 177.59 1wyl h ARG 14 N -0.11 -0.79 -0.99 1.25 3.08 -1.46 0.13 114.38 115.49 1wyl h ARG 14 Ca 0.16 0.05 0.20 0.00 0.07 0.00 0.00 59.98 60.46 1wyl h ARG 14 Cb 0.35 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.47 1wyl h ARG 14 CO -0.38 -0.53 0.59 2.35 -1.07 0.00 0.00 179.97 180.93 1wyl h TRP 15 N -0.82 1.03 -0.39 3.04 7.01 -1.34 0.55 115.95 125.03 1wyl h TRP 15 Ca -0.05 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.82 1wyl h TRP 15 Cb 0.68 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1wyl h TRP 15 CO -0.13 0.20 -0.38 0.00 -2.79 0.00 0.00 178.44 175.34 1wyl h GLN 17 N 0.77 1.10 -0.54 0.00 4.20 0.15 0.19 115.11 120.97 1wyl h GLN 17 Ca 0.06 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1wyl h GLN 17 Cb 0.98 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1wyl h GLN 17 CO 0.09 0.73 0.03 0.93 -0.67 0.00 0.00 178.83 179.94 1wyl h GLU 18 N 1.13 0.94 0.16 1.46 4.39 -1.22 0.75 114.58 122.20 1wyl h GLU 18 Ca 0.35 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1wyl h GLU 18 Cb -0.02 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1wyl h GLU 18 CO -0.11 0.94 -0.08 1.96 -1.16 0.00 0.00 179.01 180.56 1wyl h GLN 19 N 0.82 -0.21 0.00 2.33 1.08 -1.12 -3.00 115.11 115.02 1wyl h GLN 19 Ca 0.16 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1wyl h GLN 19 Cb 0.50 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1wyl h GLN 19 CO 0.02 0.17 0.00 1.79 -0.95 0.00 0.00 178.83 179.86 1wyl h THR 20 N -0.63 0.00 -2.99 -0.54 1.35 -0.66 -3.44 112.91 106.00 1wyl h THR 20 Ca -0.02 -0.27 -0.56 0.00 -0.55 0.00 0.00 66.41 65.01 1wyl h THR 20 Cb 0.47 1.14 0.08 0.00 -1.73 0.00 0.00 68.15 68.11 1wyl h THR 20 CO 0.04 0.00 0.74 0.00 -0.25 0.00 0.00 175.52 176.05 1wyl n ALA 21 N -1.97 1.84 0.00 6.62 0.00 0.25 -2.83 120.51 124.42 1wyl n ALA 21 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1wyl n ALA 21 Cb 0.20 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 2.12 3.15 3.69 0.00 0.00 -1.26 -5.00 105.19 107.89 1wyl n GLY 22 Ca 0.10 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 2.60 -2.07 1.61 4.19 -1.13 -4.89 117.16 117.47 1wyl n TYR 23 Ca 0.00 -0.15 -0.41 0.00 3.31 0.00 0.00 57.90 60.64 1wyl n TYR 23 Cb 0.00 -2.73 -0.03 0.00 0.49 0.00 0.00 39.34 37.07 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 2.86 3.13 0.00 2.98 0.04 -1.26 -2.50 135.00 140.26 1wyl s PRO 24 Ca 0.83 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1wyl s PRO 24 Cb -0.49 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.82 1wyl s PRO 24 CO 0.38 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1wyl n GLY 25 N 5.46 1.30 2.94 0.56 0.00 -1.26 -5.10 105.19 109.10 1wyl n GLY 25 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 1.45 -0.43 1.61 1.01 -1.04 -4.90 120.40 116.10 1wyl s VAL 26 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1wyl s VAL 26 Cb 0.00 -1.64 0.14 0.00 0.00 0.00 0.00 36.38 34.88 1wyl s VAL 26 CO 0.00 0.04 0.24 -2.28 0.00 0.00 0.00 175.10 173.11 1wyl s HIS 27 N 1.46 1.76 -0.68 5.22 2.46 -1.26 -4.83 115.29 119.42 1wyl s HIS 27 Ca -0.03 -2.30 -0.27 0.00 0.47 0.00 0.00 55.06 52.94 1wyl s HIS 27 Cb -0.17 -1.70 0.03 0.00 -0.13 0.00 0.00 32.58 30.61 1wyl s HIS 27 CO -0.07 -0.79 1.21 0.08 -2.47 0.00 0.00 174.74 172.70 1wyl s VAL 28 N 0.43 3.88 -0.54 0.89 1.01 -1.26 -4.78 120.40 120.03 1wyl s VAL 28 Ca 0.18 0.45 0.12 0.00 0.00 0.00 0.00 61.98 62.74 1wyl s VAL 28 Cb -0.23 -4.83 -0.14 0.00 0.00 0.00 0.00 36.38 31.18 1wyl s VAL 28 CO -0.01 -1.66 0.50 -1.54 0.00 0.00 0.00 175.10 172.39 1wyl n SER 29 N 8.91 0.68 -3.21 3.32 3.41 -1.26 -4.81 113.62 120.66 1wyl n SER 29 Ca 0.04 -0.73 -0.07 0.00 -0.26 0.00 0.00 58.87 57.84 1wyl n SER 29 Cb 0.49 1.04 0.01 0.00 -0.26 0.00 0.00 64.21 65.49 1wyl n SER 29 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wyl s ASP 30 N -2.24 -0.04 -0.57 4.04 1.01 -1.26 -5.07 116.67 112.54 1wyl s ASP 30 Ca 0.04 -0.91 0.03 0.00 0.71 0.00 0.00 52.55 52.42 1wyl s ASP 30 Cb 0.09 0.73 0.40 0.00 1.01 0.00 0.00 42.92 45.15 1wyl s ASP 30 CO 0.50 -1.43 1.37 0.18 0.21 0.00 0.00 175.17 176.00 1wyl n LEU 31 N -0.56 5.51 0.02 1.23 4.77 -1.26 -4.31 117.00 122.40 1wyl n LEU 31 Ca -0.06 -5.14 0.00 0.00 -0.03 0.00 0.00 56.01 50.78 1wyl n LEU 31 Cb 0.60 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1wyl n LEU 31 CO 0.23 2.11 0.00 -1.20 -1.33 0.00 0.00 177.39 177.20 1wyl n SER 32 N -0.48 0.09 -0.01 -1.43 7.64 -1.26 -4.87 113.62 113.31 1wyl n SER 32 Ca 0.43 0.06 0.02 0.00 1.01 0.00 0.00 58.87 60.39 1wyl n SER 32 Cb 0.52 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.70 3.78 -0.12 6.43 2.88 -1.26 -4.27 113.62 118.36 1wyl n SER 33 Ca 0.00 0.00 0.26 0.00 -1.33 0.00 0.00 58.87 57.80 1wyl n SER 33 Cb 0.00 1.16 0.71 0.00 -0.75 0.00 0.00 64.21 65.34 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 0.05 -3.46 0.02 -1.91 -0.82 113.55 107.44 1wyl h SER 34 Ca -0.02 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.57 1wyl h SER 34 Cb 0.39 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1wyl h SER 34 CO 0.00 0.00 -2.32 0.79 -1.14 0.00 0.00 176.83 174.17 1wyl n TRP 35 N -4.30 0.11 -0.45 3.45 7.02 -1.26 -4.37 117.44 117.64 1wyl n TRP 35 Ca 0.15 0.04 0.38 0.00 -1.02 0.00 0.00 57.50 57.06 1wyl n TRP 35 Cb 0.84 -1.02 0.66 0.00 -2.42 0.00 0.00 31.31 29.37 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 0.99 2.72 -0.77 6.99 0.00 -1.31 0.59 119.26 128.48 1wyl h ALA 36 Ca -0.52 0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.70 1wyl h ALA 36 Cb 2.22 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 20.14 1wyl h ALA 36 CO 0.03 -1.41 0.20 0.38 0.00 0.00 0.00 179.25 178.45 1wyl h ASP 37 N 0.03 0.04 0.00 0.00 2.03 -1.75 -3.37 116.42 113.40 1wyl h ASP 37 Ca 0.86 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 57.31 1wyl h ASP 37 Cb 2.69 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 41.38 1wyl h ASP 37 CO -0.49 -0.04 0.00 0.61 -1.03 0.00 0.00 179.24 178.29 1wyl n GLY 38 N -1.35 3.13 0.18 7.15 0.00 0.21 -4.38 105.19 110.12 1wyl n GLY 38 Ca 0.15 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 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 0.18 -0.28 0.99 3.38 -1.85 -3.05 115.31 114.68 1wyl h LEU 39 Ca 0.00 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1wyl h LEU 39 Cb 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1wyl h LEU 39 CO 0.00 0.13 -0.17 0.00 0.09 0.00 0.00 178.44 178.50 1wyl n ALA 40 N -2.38 -0.18 -0.24 1.53 0.00 -1.26 0.90 120.51 118.89 1wyl n ALA 40 Ca 0.03 0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.75 1wyl n ALA 40 Cb 0.16 0.17 0.16 0.00 0.00 0.00 0.00 19.45 19.94 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 0.24 -0.05 0.00 3.38 -1.82 -2.43 115.31 114.63 1wyl h LEU 41 Ca 0.05 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1wyl h LEU 41 Cb 0.12 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1wyl h LEU 41 CO -0.26 0.11 -0.50 0.00 0.09 0.00 0.00 178.44 177.87 1wyl h ALA 43 N -0.46 0.72 -0.56 0.00 0.00 -0.67 0.31 119.26 118.60 1wyl h ALA 43 Ca 0.02 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1wyl h ALA 43 Cb 0.66 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1wyl h ALA 43 CO -0.36 -0.40 0.25 1.25 0.00 0.00 0.00 179.25 179.99 1wyl h LEU 44 N 0.12 0.32 0.34 0.00 5.85 -0.97 0.31 115.31 121.29 1wyl h LEU 44 Ca 0.37 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 1wyl h LEU 44 Cb 0.64 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1wyl h LEU 44 CO -0.60 0.21 -0.16 0.58 -0.34 0.00 0.00 178.44 178.13 1wyl h VAL 45 N 0.48 0.00 -0.90 1.05 2.07 0.59 0.22 116.25 119.75 1wyl h VAL 45 Ca 0.27 -0.29 0.22 0.00 0.82 0.00 0.00 66.70 67.72 1wyl h VAL 45 Cb 0.24 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.89 1wyl h VAL 45 CO -0.22 0.00 0.40 1.88 0.02 0.00 0.00 177.57 179.64 1wyl h TYR 46 N -0.74 0.66 0.23 1.57 0.05 -0.48 -1.25 116.97 117.00 1wyl h TYR 46 Ca -0.05 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1wyl h TYR 46 Cb 0.35 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1wyl h TYR 46 CO 0.05 -0.05 -0.11 -0.09 -1.05 0.00 0.00 178.16 176.91 1wyl h ARG 47 N 0.40 -0.29 -0.93 4.88 9.65 -0.42 -3.13 114.38 124.53 1wyl h ARG 47 Ca 0.56 0.02 0.27 0.00 -1.10 0.00 0.00 59.98 59.74 1wyl h ARG 47 Cb 1.07 0.07 -0.15 0.00 -1.39 0.00 0.00 29.97 29.56 1wyl h ARG 47 CO -0.53 0.05 0.28 -0.07 2.80 0.00 0.00 179.97 182.50 1wyl h LEU 48 N -0.68 0.02 -7.19 3.80 3.38 0.19 -3.30 115.31 111.52 1wyl h LEU 48 Ca -0.03 0.22 -0.58 0.00 0.09 0.00 0.00 57.88 57.58 1wyl h LEU 48 Cb 0.48 0.29 -0.40 0.00 0.09 0.00 0.00 40.66 41.12 1wyl h LEU 48 CO 0.05 -0.22 -0.76 -1.58 0.09 0.00 0.00 178.44 176.02 1wyl s GLN 49 N -5.86 0.75 0.36 1.13 0.74 -0.74 -4.98 119.66 111.06 1wyl s GLN 49 Ca -0.12 -0.98 0.27 0.00 0.05 0.00 0.00 55.36 54.58 1wyl s GLN 49 Cb 0.28 -2.04 1.14 0.00 1.10 0.00 0.00 33.01 33.49 1wyl s GLN 49 CO 0.78 -0.92 1.81 -1.00 -0.55 0.00 0.00 175.29 175.41 1wyl h PRO 50 N 8.10 0.00 0.00 1.67 0.13 -1.63 -2.95 132.00 137.32 1wyl h PRO 50 Ca -0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 1wyl h PRO 50 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1wyl h PRO 50 CO 0.45 0.00 -0.35 0.78 -0.23 0.00 0.00 178.00 178.65 1wyl h GLY 51 N 2.12 0.00 -1.84 1.56 0.00 -1.94 -3.44 103.07 99.54 1wyl h GLY 51 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1wyl h GLY 51 CO 0.00 0.00 0.39 1.08 0.00 0.00 0.00 176.54 178.01 1wyl s LEU 52 N -8.12 3.56 0.95 3.11 1.43 -1.11 -5.01 118.68 113.50 1wyl s LEU 52 Ca -0.03 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.89 1wyl s LEU 52 Cb 0.14 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.92 1wyl s LEU 52 CO 0.72 -1.26 0.06 0.00 0.23 0.00 0.00 176.35 176.10 1wyl n LEU 53 N -1.85 -1.72 -4.70 1.79 -0.00 -1.26 -5.00 117.00 104.27 1wyl n LEU 53 Ca 0.10 -0.27 -0.25 0.00 -0.00 0.00 0.00 56.01 55.59 1wyl n LEU 53 Cb 0.52 -0.73 -0.07 0.00 -0.00 0.00 0.00 43.42 43.14 1wyl n LEU 53 CO 0.45 -2.99 -0.30 -1.83 -0.00 0.00 0.00 177.39 172.72 1wyl s GLU 54 N -3.13 2.51 0.00 1.47 -1.05 -1.26 -4.93 118.70 112.30 1wyl s GLU 54 Ca 0.34 -1.13 0.01 0.00 -0.15 0.00 0.00 54.97 54.04 1wyl s GLU 54 Cb -0.04 -2.38 0.06 0.00 -0.44 0.00 0.00 34.13 31.32 1wyl s GLU 54 CO 0.36 0.44 0.54 -0.35 0.95 0.00 0.00 175.26 177.20 1wyl n PRO 55 N -0.41 0.49 -0.26 -4.83 -0.04 -1.26 -4.19 135.00 124.50 1wyl n PRO 55 Ca -0.09 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.60 1wyl n PRO 55 Cb 0.56 -1.03 0.39 0.00 -0.04 0.00 0.00 33.50 33.38 1wyl n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wyl n SER 56 N -0.53 0.14 -0.01 3.54 3.41 -1.26 0.24 113.62 119.16 1wyl n SER 56 Ca 0.01 0.86 -0.19 0.00 -0.26 0.00 0.00 58.87 59.28 1wyl n SER 56 Cb 0.00 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.40 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1wyl h GLU 57 N 0.00 0.18 -0.31 4.33 4.39 -2.01 -3.30 114.58 117.87 1wyl h GLU 57 Ca 0.52 -0.31 0.09 0.00 0.34 0.00 0.00 59.36 60.00 1wyl h GLU 57 Cb 1.62 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.38 1wyl h GLU 57 CO -0.31 1.15 0.68 -0.07 -1.16 0.00 0.00 179.01 179.30 1wyl h LEU 58 N -0.57 0.00 -1.26 1.33 4.07 0.29 0.24 115.31 119.41 1wyl h LEU 58 Ca -0.17 0.00 0.11 0.00 0.08 0.00 0.00 57.88 57.89 1wyl h LEU 58 Cb 1.48 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.16 1wyl h LEU 58 CO 0.05 0.00 0.56 1.56 -1.08 0.00 0.00 178.44 179.53 1wyl h GLN 59 N 0.00 0.78 -1.21 1.13 1.08 -1.44 -2.22 115.11 113.22 1wyl h GLN 59 Ca 0.15 -0.05 -0.63 0.00 -1.45 0.00 0.00 58.65 56.67 1wyl h GLN 59 Cb 1.51 -0.18 -0.37 0.00 -0.05 0.00 0.00 27.48 28.40 1wyl h GLN 59 CO -0.00 0.51 -0.07 0.41 -0.95 0.00 0.00 178.83 178.73 1wyl n GLY 60 N -1.42 6.03 3.54 3.46 0.00 0.86 -5.01 105.19 112.64 1wyl n GLY 60 Ca 0.15 -2.58 -0.25 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.72 2.68 0.60 0.99 1.43 -0.84 -5.11 118.68 114.70 1wyl s LEU 61 Ca 0.54 -1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 1wyl s LEU 61 Cb 0.44 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.78 1wyl s LEU 61 CO -0.11 -0.34 1.04 -0.83 0.23 0.00 0.00 176.35 176.34 1wyl s GLY 62 N -3.60 1.97 0.43 -3.19 0.00 -1.26 -4.86 107.32 96.82 1wyl s GLY 62 Ca 0.33 0.23 0.25 0.00 0.00 0.00 0.00 44.72 45.53 1wyl s GLY 62 CO 0.16 0.53 1.73 0.00 0.00 0.00 0.00 173.10 175.53 1wyl h ALA 63 N 0.24 2.52 0.02 3.20 0.00 -1.96 -0.64 119.26 122.64 1wyl h ALA 63 Ca -0.46 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1wyl h ALA 63 Cb 1.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wyl h ALA 63 CO 0.59 -0.98 -0.40 1.25 0.00 0.00 0.00 179.25 179.71 1wyl h LEU 64 N 0.25 0.07 -1.35 0.00 5.85 -1.88 -3.31 115.31 114.94 1wyl h LEU 64 Ca 0.66 -0.90 0.39 0.00 0.84 0.00 0.00 57.88 58.87 1wyl h LEU 64 Cb 1.94 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.82 1wyl h LEU 64 CO -0.28 1.17 0.77 -0.33 -0.34 0.00 0.00 178.44 179.43 1wyl h GLU 65 N -0.89 0.16 0.43 1.25 4.39 -1.50 -1.01 114.58 117.42 1wyl h GLU 65 Ca -0.10 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1wyl h GLU 65 Cb 1.17 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1wyl h GLU 65 CO -0.02 0.11 -0.21 0.00 -1.16 0.00 0.00 179.01 177.73 1wyl h ALA 66 N 1.64 -0.91 -0.99 3.43 0.00 -1.47 -3.14 119.26 117.81 1wyl h ALA 66 Ca 0.77 -0.13 0.34 0.00 0.00 0.00 0.00 54.91 55.89 1wyl h ALA 66 Cb 2.26 0.23 -0.16 0.00 0.00 0.00 0.00 17.79 20.12 1wyl h ALA 66 CO -0.42 -0.87 0.51 1.15 0.00 0.00 0.00 179.25 179.61 1wyl h THR 67 N -0.72 0.20 -0.27 0.00 2.02 -1.30 0.18 112.91 113.01 1wyl h THR 67 Ca -0.06 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.12 1wyl h THR 67 Cb 0.45 -0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 1wyl h THR 67 CO 0.10 0.04 -0.23 0.00 0.37 0.00 0.00 175.52 175.80 1wyl h ALA 68 N 1.90 -0.08 0.39 6.16 0.00 -1.32 -2.00 119.26 124.30 1wyl h ALA 68 Ca 0.75 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.74 1wyl h ALA 68 Cb 1.78 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 1wyl h ALA 68 CO -0.67 -0.64 -0.42 2.35 0.00 0.00 0.00 179.25 179.86 1wyl h TRP 69 N -0.22 -1.17 -0.98 0.00 7.01 -0.60 -1.69 115.95 118.31 1wyl h TRP 69 Ca 0.15 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.27 1wyl h TRP 69 Cb 0.45 0.46 -0.13 0.00 -2.10 0.00 0.00 29.16 27.83 1wyl h TRP 69 CO -0.40 -0.55 -0.51 0.00 -2.79 0.00 0.00 178.44 174.19 1wyl n ALA 70 N -2.73 -0.45 -0.15 2.65 0.00 -1.08 0.16 120.51 118.91 1wyl n ALA 70 Ca -0.10 0.88 0.15 0.00 0.00 0.00 0.00 53.44 54.38 1wyl n ALA 70 Cb 0.38 -0.24 0.51 0.00 0.00 0.00 0.00 19.45 20.10 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 0.37 0.13 0.00 3.38 -1.19 0.42 115.31 118.42 1wyl h LEU 71 Ca 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1wyl h LEU 71 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wyl h LEU 71 CO -0.94 0.19 -0.06 0.50 0.09 0.00 0.00 178.44 178.22 1wyl h LYS 72 N 0.39 -0.17 -0.06 1.13 3.64 0.24 -1.39 116.57 120.35 1wyl h LYS 72 Ca 0.35 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1wyl h LYS 72 Cb 0.83 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1wyl h LYS 72 CO -0.11 -0.12 0.23 0.28 -2.27 0.00 0.00 179.45 177.47 1wyl h VAL 73 N -0.57 0.10 0.06 2.00 2.07 0.01 0.48 116.25 120.41 1wyl h VAL 73 Ca -0.02 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.22 1wyl h VAL 73 Cb 0.14 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1wyl h VAL 73 CO 0.03 0.00 -1.51 0.00 0.02 0.00 0.00 177.57 176.11 1wyl h ALA 74 N 1.59 0.46 0.00 1.67 0.00 -0.22 -2.31 119.26 120.44 1wyl h ALA 74 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1wyl h ALA 74 Cb 0.49 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wyl h ALA 74 CO -0.00 1.32 -0.72 1.49 0.00 0.00 0.00 179.25 181.34 1wyl h GLU 75 N 0.03 0.00 0.00 0.00 4.22 0.36 1.54 114.58 120.74 1wyl h GLU 75 Ca -0.22 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.13 1wyl h GLU 75 Cb 1.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 1wyl h GLU 75 CO 0.12 0.00 -0.81 0.09 -2.18 0.00 0.00 179.01 176.23 1wyl n ASN 76 N -2.79 1.83 0.00 1.04 3.02 0.14 -3.89 115.26 114.61 1wyl n ASN 76 Ca 0.01 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1wyl n ASN 76 Cb 0.54 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.06 3.52 -0.58 -0.88 -4.26 120.64 113.84 1wyl n GLU 77 Ca -0.17 0.28 0.20 0.00 -0.42 0.00 0.00 57.16 57.05 1wyl n GLU 77 Cb 0.42 -0.75 0.64 0.00 -0.57 0.00 0.00 31.44 31.18 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 0.11 0.00 -4.62 3.38 -1.50 -3.45 115.31 109.23 1wyl h LEU 78 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wyl h LEU 78 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1wyl h LEU 78 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1wyl n GLY 79 N -1.62 0.77 3.56 0.83 0.00 0.43 -4.94 105.19 104.22 1wyl n GLY 79 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.95 3.42 0.25 -0.61 -1.09 0.42 -4.77 121.20 115.87 1wyl s ILE 80 Ca 0.00 -0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 1wyl s ILE 80 Cb 0.00 -3.95 -0.15 0.00 -1.58 0.00 0.00 42.46 36.78 1wyl s ILE 80 CO 0.00 -0.89 0.91 0.41 -1.23 0.00 0.00 174.94 174.14 1wyl n THR 81 N 7.93 1.81 -2.04 2.92 -1.04 -1.26 -3.66 114.28 118.93 1wyl n THR 81 Ca 0.41 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 1wyl n THR 81 Cb 0.47 -0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 68.23 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 -1.22 2.60 0.25 -2.82 0.04 -1.26 -4.81 135.00 127.78 1wyl s PRO 82 Ca 0.63 0.38 0.12 0.00 0.04 0.00 0.00 61.00 62.17 1wyl s PRO 82 Cb -0.79 -4.56 0.22 0.00 0.04 0.00 0.00 34.50 29.41 1wyl s PRO 82 CO 0.58 -2.90 1.52 -0.24 0.04 0.00 0.00 177.00 175.99 1wyl h VAL 83 N 6.99 1.30 -3.56 -0.36 3.04 -1.94 -3.45 116.25 118.26 1wyl h VAL 83 Ca -0.17 -2.37 -0.66 0.00 -1.01 0.00 0.00 66.70 62.49 1wyl h VAL 83 Cb 1.12 2.34 -0.20 0.00 -2.01 0.00 0.00 31.29 32.54 1wyl h VAL 83 CO 1.22 0.64 -0.84 -0.69 -1.01 0.00 0.00 177.57 176.88 1wyl s VAL 84 N -3.25 2.24 -0.07 1.51 1.01 -1.26 -5.00 120.40 115.58 1wyl s VAL 84 Ca 0.01 -1.87 -0.29 0.00 0.00 0.00 0.00 61.98 59.82 1wyl s VAL 84 Cb 0.11 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1wyl s VAL 84 CO 0.76 -0.03 0.98 -0.44 0.00 0.00 0.00 175.10 176.37 1wyl s SER 85 N -2.35 7.26 0.27 3.32 0.01 -1.26 -4.92 113.70 116.04 1wyl s SER 85 Ca 0.17 1.54 0.08 0.00 1.31 0.00 0.00 55.95 59.05 1wyl s SER 85 Cb -0.09 -2.55 0.82 0.00 0.21 0.00 0.00 66.02 64.41 1wyl s SER 85 CO 0.08 -0.37 1.28 0.00 0.41 0.00 0.00 173.24 174.63 1wyl n ALA 86 N 4.62 0.59 0.03 1.44 0.00 -1.26 0.12 120.51 126.05 1wyl n ALA 86 Ca 0.07 0.85 -0.12 0.00 0.00 0.00 0.00 53.44 54.24 1wyl n ALA 86 Cb 0.50 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.95 0.00 -0.00 -1.96 -2.57 115.11 109.62 1wyl h GLN 87 Ca 0.58 0.00 0.16 0.00 -0.00 0.00 0.00 58.65 59.39 1wyl h GLN 87 Cb 1.36 0.00 -0.10 0.00 0.00 0.00 0.00 27.48 28.74 1wyl h GLN 87 CO -0.71 0.18 0.55 0.00 0.00 0.00 0.00 178.83 178.86 1wyl h ALA 88 N 0.76 1.51 0.32 3.38 0.00 0.52 0.73 119.26 126.49 1wyl h ALA 88 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wyl h ALA 88 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wyl h ALA 88 CO 0.00 -0.02 -0.16 0.28 0.00 0.00 0.00 179.25 179.36 1wyl h VAL 89 N 0.75 0.70 0.35 0.00 2.07 -1.09 -1.74 116.25 117.29 1wyl h VAL 89 Ca 0.53 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.85 1wyl h VAL 89 Cb 0.75 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1wyl h VAL 89 CO -0.36 0.04 -0.17 0.58 0.02 0.00 0.00 177.57 177.68 1wyl h VAL 90 N -0.53 0.00 -0.99 2.57 2.07 -0.96 -3.26 116.25 115.14 1wyl h VAL 90 Ca -0.04 -0.34 0.36 0.00 0.82 0.00 0.00 66.70 67.49 1wyl h VAL 90 Cb 0.40 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.98 1wyl h VAL 90 CO 0.07 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.98 1wyl n ALA 91 N -2.50 0.80 -1.51 1.67 0.00 0.25 -4.76 120.51 114.46 1wyl n ALA 91 Ca -0.06 1.03 0.00 0.00 0.00 0.00 0.00 53.44 54.42 1wyl n ALA 91 Cb 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.36 0.81 0.13 0.00 0.00 -0.67 -5.02 105.19 99.08 1wyl n GLY 92 Ca 0.32 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 0.45 1.98 -4.08 1.61 2.88 -1.13 -4.77 113.62 110.56 1wyl n SER 93 Ca 0.00 0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.21 1wyl n SER 93 Cb 0.32 -0.57 -0.09 0.00 -0.75 0.00 0.00 64.21 63.13 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 -6.85 5.38 0.37 -3.46 1.11 -1.25 -4.91 116.67 107.06 1wyl s ASP 94 Ca -0.35 -3.17 0.16 0.00 0.18 0.00 0.00 52.55 49.36 1wyl s ASP 94 Cb 0.11 -1.85 0.70 0.00 1.07 0.00 0.00 42.92 42.95 1wyl s ASP 94 CO 0.58 -0.29 1.77 1.55 1.18 0.00 0.00 175.17 179.96 1wyl h PRO 95 N 6.62 0.00 0.13 8.23 0.13 -1.88 -3.23 132.00 142.01 1wyl h PRO 95 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1wyl h PRO 95 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1wyl h PRO 95 CO 0.75 0.40 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.79 1wyl h LEU 96 N 0.00 -0.15 -0.60 1.56 4.07 -1.92 -3.18 115.31 115.08 1wyl h LEU 96 Ca -0.00 -0.32 0.10 0.00 0.08 0.00 0.00 57.88 57.73 1wyl h LEU 96 Cb 0.80 0.04 -0.11 0.00 1.08 0.00 0.00 40.66 42.47 1wyl h LEU 96 CO 0.05 0.27 -0.39 1.23 -1.08 0.00 0.00 178.44 178.52 1wyl h GLY 97 N -0.60 -0.28 -0.24 0.83 0.00 -1.95 -0.82 103.07 99.99 1wyl h GLY 97 Ca -0.02 0.51 0.10 0.00 0.00 0.00 0.00 47.33 47.92 1wyl h GLY 97 CO 0.03 -0.18 -0.26 -2.00 0.00 0.00 0.00 176.54 174.13 1wyl h LEU 98 N -0.19 -0.90 -0.40 3.11 5.85 -1.62 0.87 115.31 122.03 1wyl h LEU 98 Ca 0.21 0.20 0.08 0.00 0.84 0.00 0.00 57.88 59.21 1wyl h LEU 98 Cb 0.56 0.47 -0.09 0.00 0.37 0.00 0.00 40.66 41.97 1wyl h LEU 98 CO -0.70 -0.27 -0.23 0.40 -0.34 0.00 0.00 178.44 177.30 1wyl h ILE 99 N -0.14 0.36 -0.62 4.05 2.04 -1.15 0.26 117.51 122.31 1wyl h ILE 99 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 1wyl h ILE 99 Cb 0.51 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1wyl h ILE 99 CO -0.60 0.00 0.36 0.00 0.00 0.00 0.00 178.15 177.91 1wyl h ALA 100 N 1.06 1.46 0.41 1.87 0.00 -0.61 -2.68 119.26 120.77 1wyl h ALA 100 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wyl h ALA 100 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1wyl h ALA 100 CO -0.50 0.46 -0.33 -0.92 0.00 0.00 0.00 179.25 177.95 1wyl h TYR 101 N 0.86 -0.89 -0.40 0.00 3.20 0.12 -2.88 116.97 116.98 1wyl h TYR 101 Ca 0.22 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.17 1wyl h TYR 101 Cb -0.01 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1wyl h TYR 101 CO 0.00 -0.48 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.96 1wyl h LEU 102 N -0.74 -0.19 -0.87 2.82 3.38 -1.16 -1.65 115.31 116.91 1wyl h LEU 102 Ca -0.04 0.09 0.32 0.00 0.09 0.00 0.00 57.88 58.35 1wyl h LEU 102 Cb 0.64 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.41 1wyl h LEU 102 CO -0.01 -0.06 0.31 -0.24 0.09 0.00 0.00 178.44 178.53 1wyl n SER 103 N -5.21 0.16 -0.20 -0.43 2.88 -1.02 0.20 113.62 109.99 1wyl n SER 103 Ca 0.03 1.46 -0.06 0.00 -1.33 0.00 0.00 58.87 58.97 1wyl n SER 103 Cb 0.21 -0.65 0.04 0.00 -0.75 0.00 0.00 64.21 63.06 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 0.72 0.24 0.66 3.86 -1.28 0.27 115.15 119.63 1wyl h HIS 104 Ca 0.66 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.89 1wyl h HIS 104 Cb 1.64 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.87 1wyl h HIS 104 CO -0.17 0.44 -0.16 0.74 0.86 0.00 0.00 177.93 179.65 1wyl h PHE 105 N 0.78 -0.42 0.73 2.45 -1.00 0.22 -2.43 116.94 117.26 1wyl h PHE 105 Ca 0.22 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.96 1wyl h PHE 105 Cb -0.06 0.15 0.01 0.00 3.61 0.00 0.00 35.95 39.66 1wyl h PHE 105 CO -0.04 -0.25 -0.35 1.25 -1.61 0.00 0.00 178.31 177.31 1wyl h HIS 106 N -0.40 -0.90 -1.45 -0.55 2.76 -1.24 0.36 115.15 113.72 1wyl h HIS 106 Ca -0.02 -0.02 0.47 0.00 -2.20 0.00 0.00 60.37 58.60 1wyl h HIS 106 Cb 0.34 0.30 -0.11 0.00 1.55 0.00 0.00 27.41 29.49 1wyl h HIS 106 CO -0.10 -0.56 0.98 0.43 -1.30 0.00 0.00 177.93 177.37 1wyl n SER 107 N -5.17 0.14 0.01 3.26 7.64 0.95 0.11 113.62 120.56 1wyl n SER 107 Ca -0.12 1.18 -0.22 0.00 1.01 0.00 0.00 58.87 60.72 1wyl n SER 107 Cb 0.38 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.86 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyl h ALA 108 N 1.32 0.37 -1.16 -0.43 0.00 -1.25 -3.38 119.26 114.73 1wyl h ALA 108 Ca 0.84 -1.33 -0.69 0.00 0.00 0.00 0.00 54.91 53.73 1wyl h ALA 108 Cb 2.91 0.66 -0.33 0.00 0.00 0.00 0.00 17.79 21.03 1wyl h ALA 108 CO -0.31 1.21 0.33 1.19 0.00 0.00 0.00 179.25 181.67 1wyl n PHE 109 N -3.59 3.14 -2.03 0.00 3.01 0.30 -5.01 117.46 113.27 1wyl n PHE 109 Ca -0.31 -2.65 -0.43 0.00 1.01 0.00 0.00 57.45 55.08 1wyl n PHE 109 Cb 1.02 -0.79 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 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 -3.85 3.97 -0.04 -1.08 1.02 0.27 -4.74 119.74 115.30 1wyl s LYS 110 Ca 0.52 1.96 -0.00 0.00 0.02 0.00 0.00 55.97 58.47 1wyl s LYS 110 Cb 0.43 -4.03 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1wyl s LYS 110 CO -0.27 -1.10 0.02 0.45 -0.92 0.00 0.00 175.35 173.53 1wyl s SER 111 N 3.97 0.67 0.00 2.83 0.15 -1.26 -5.09 113.70 114.97 1wyl s SER 111 Ca 0.74 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1wyl s SER 111 Cb -0.30 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1wyl s SER 111 CO 0.30 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1wyl n GLY 112 N 4.55 2.79 3.57 9.45 0.00 -1.26 -5.04 105.19 119.26 1wyl n GLY 112 Ca -0.19 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.07 2.51 0.29 1.61 0.04 -1.26 -4.83 135.00 131.29 1wyl s PRO 113 Ca 0.00 -0.94 -0.05 0.00 0.04 0.00 0.00 61.00 60.05 1wyl s PRO 113 Cb 0.00 -5.20 0.02 0.00 0.04 0.00 0.00 34.50 29.36 1wyl s PRO 113 CO 0.00 -3.82 0.47 0.43 0.04 0.00 0.00 177.00 174.12 1wyl n SER 114 N 14.26 -1.34 -3.64 6.66 7.64 -1.26 -4.66 113.62 131.28 1wyl n SER 114 Ca 0.44 -2.42 -0.05 0.00 1.01 0.00 0.00 58.87 57.85 1wyl n SER 114 Cb 0.47 2.38 -0.07 0.00 -1.01 0.00 0.00 64.21 65.98 1wyl n SER 114 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wyl s SER 115 N -2.69 -0.40 0.00 6.43 0.15 -1.26 -5.19 113.70 110.74 1wyl s SER 115 Ca 0.19 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1wyl s SER 115 Cb -0.02 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1wyl s SER 115 CO 0.14 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.07