#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 1.03 -0.08 1.61 3.41 -1.26 -4.74 113.62 113.59 1wyl n SER 2 Ca 0.00 0.22 -0.16 0.00 -0.26 0.00 0.00 58.87 58.68 1wyl n SER 2 Cb 0.00 -1.08 -0.05 0.00 -0.26 0.00 0.00 64.21 62.82 1wyl n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wyl n SER 3 N 10.58 1.50 0.00 4.04 3.41 -1.26 -5.07 113.62 126.82 1wyl n SER 3 Ca 0.55 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1wyl n SER 3 Cb 0.13 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 1.88 2.39 3.80 5.00 0.00 -1.26 -5.13 105.19 111.88 1wyl n GLY 4 Ca -0.28 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 6.23 0.02 1.61 0.01 -1.26 -5.10 113.70 115.22 1wyl s SER 5 Ca 0.00 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 1wyl s SER 5 Cb 0.00 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1wyl s SER 5 CO 0.00 0.31 0.21 -0.44 0.41 0.00 0.00 173.24 173.73 1wyl s SER 6 N -0.43 6.38 0.00 2.44 0.01 -1.26 -5.07 113.70 115.78 1wyl s SER 6 Ca 0.12 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1wyl s SER 6 Cb -0.12 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1wyl s SER 6 CO 0.01 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1wyl n GLY 7 N 0.71 4.40 3.15 3.44 0.00 -1.26 -5.10 105.19 110.53 1wyl n GLY 7 Ca -0.09 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1wyl n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wyl n THR 8 N 0.00 0.00 0.33 2.61 5.66 -1.26 -4.73 114.28 116.89 1wyl n THR 8 Ca 0.00 -0.15 0.18 0.00 -3.05 0.00 0.00 64.05 61.04 1wyl n THR 8 Cb 0.00 -0.62 0.97 0.00 -1.55 0.00 0.00 70.33 69.13 1wyl n THR 8 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1wyl h GLN 9 N -2.61 0.00 -0.71 1.09 1.08 -2.01 -2.34 115.11 109.62 1wyl h GLN 9 Ca -0.39 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.97 1wyl h GLN 9 Cb 1.08 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.40 1wyl h GLN 9 CO 0.26 0.00 0.09 1.49 -0.95 0.00 0.00 178.83 179.72 1wyl h GLU 10 N 0.00 0.18 -0.60 1.46 4.57 -1.99 0.24 114.58 118.43 1wyl h GLU 10 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1wyl h GLU 10 Cb 0.37 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 1wyl h GLU 10 CO 0.00 0.12 0.26 1.49 -1.18 0.00 0.00 179.01 179.70 1wyl h GLU 11 N 0.18 0.46 0.42 1.92 4.22 -1.70 -1.58 114.58 118.50 1wyl h GLU 11 Ca 0.39 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.78 1wyl h GLU 11 Cb 0.67 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wyl h GLU 11 CO -0.56 0.31 -0.20 1.25 -2.18 0.00 0.00 179.01 177.62 1wyl h LEU 12 N 0.48 -0.48 -0.28 1.64 5.85 -1.10 -2.92 115.31 118.50 1wyl h LEU 12 Ca 0.29 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1wyl h LEU 12 Cb 0.30 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1wyl h LEU 12 CO -0.26 -0.07 -0.22 0.25 -0.34 0.00 0.00 178.44 177.81 1wyl h LEU 13 N -1.01 -0.77 -0.79 2.25 5.85 -0.50 0.23 115.31 120.58 1wyl h LEU 13 Ca -0.06 0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1wyl h LEU 13 Cb 0.55 0.33 -0.14 0.00 0.37 0.00 0.00 40.66 41.77 1wyl h LEU 13 CO 0.10 -0.12 -0.31 0.03 -0.34 0.00 0.00 178.44 177.80 1wyl h ARG 14 N -0.07 -0.06 -0.40 1.25 3.08 -1.41 0.35 114.38 117.12 1wyl h ARG 14 Ca 0.05 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1wyl h ARG 14 Cb 0.18 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1wyl h ARG 14 CO -0.30 -0.04 0.06 2.35 -1.07 0.00 0.00 179.97 180.97 1wyl h TRP 15 N -0.06 0.08 -0.89 3.04 7.01 -0.92 -1.28 115.95 122.92 1wyl h TRP 15 Ca 0.32 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 1wyl h TRP 15 Cb 0.58 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.62 1wyl h TRP 15 CO -0.71 -0.02 0.47 0.00 -2.79 0.00 0.00 178.44 175.39 1wyl h GLN 17 N 1.25 0.21 -0.73 0.00 4.20 0.47 0.28 115.11 120.80 1wyl h GLN 17 Ca 0.31 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.05 1wyl h GLN 17 Cb 0.05 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1wyl h GLN 17 CO -0.05 0.14 0.45 0.93 -0.67 0.00 0.00 178.83 179.63 1wyl h GLU 18 N 0.22 0.84 0.46 1.46 5.08 -1.02 0.94 114.58 122.56 1wyl h GLU 18 Ca 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1wyl h GLU 18 Cb 0.02 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1wyl h GLU 18 CO -0.06 0.55 -0.22 1.96 -1.00 0.00 0.00 179.01 180.24 1wyl h GLN 19 N 0.86 -0.60 -0.00 2.33 1.08 -1.06 -3.20 115.11 114.52 1wyl h GLN 19 Ca 0.30 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1wyl h GLN 19 Cb 0.06 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1wyl h GLN 19 CO -0.13 -0.40 0.00 1.79 -0.95 0.00 0.00 178.83 179.14 1wyl h THR 20 N -1.01 0.54 -0.26 -0.54 1.35 -0.42 -2.15 112.91 110.42 1wyl h THR 20 Ca -0.06 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.87 1wyl h THR 20 Cb 0.48 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1wyl h THR 20 CO 0.10 0.00 0.65 0.00 -0.25 0.00 0.00 175.52 176.03 1wyl h ALA 21 N 2.00 1.93 -0.72 6.62 0.00 0.94 -1.88 119.26 128.15 1wyl h ALA 21 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1wyl h ALA 21 Cb 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.62 1wyl h ALA 21 CO -0.00 -0.79 1.01 0.41 0.00 0.00 0.00 179.25 179.88 1wyl n GLY 22 N -1.43 4.94 3.41 0.00 0.00 -0.81 -4.84 105.19 106.46 1wyl n GLY 22 Ca 0.05 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.34 -0.98 -0.39 1.61 6.14 -0.71 -5.00 117.35 115.68 1wyl s TYR 23 Ca 0.55 1.80 -0.28 0.00 0.64 0.00 0.00 57.07 59.78 1wyl s TYR 23 Cb 0.34 0.48 -0.01 0.00 0.42 0.00 0.00 41.96 43.18 1wyl s TYR 23 CO -0.23 -0.54 1.72 -1.25 0.64 0.00 0.00 175.55 175.90 1wyl s PRO 24 N 2.60 3.28 0.00 4.97 0.04 -1.26 -2.38 135.00 142.25 1wyl s PRO 24 Ca -0.04 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1wyl s PRO 24 Cb -0.12 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1wyl s PRO 24 CO -0.15 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.37 1wyl n GLY 25 N 5.39 1.19 3.15 0.56 0.00 -1.26 -5.09 105.19 109.12 1wyl n GLY 25 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 2.34 -0.44 1.61 1.01 -1.00 -4.98 120.40 116.94 1wyl s VAL 26 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1wyl s VAL 26 Cb 0.00 -2.08 0.14 0.00 0.00 0.00 0.00 36.38 34.45 1wyl s VAL 26 CO 0.00 0.40 0.27 -1.38 0.00 0.00 0.00 175.10 174.39 1wyl s HIS 27 N 1.29 1.80 -0.99 5.22 -3.43 -1.26 -4.79 115.29 113.13 1wyl s HIS 27 Ca 0.03 -2.36 -0.23 0.00 -0.80 0.00 0.00 55.06 51.69 1wyl s HIS 27 Cb -0.15 -1.68 -0.00 0.00 -1.43 0.00 0.00 32.58 29.32 1wyl s HIS 27 CO -0.10 -0.78 1.73 0.08 -2.00 0.00 0.00 174.74 173.67 1wyl s VAL 28 N 0.29 3.69 -0.03 -5.38 1.01 -1.26 -4.72 120.40 113.99 1wyl s VAL 28 Ca 0.20 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1wyl s VAL 28 Cb -0.19 -4.54 -0.24 0.00 0.00 0.00 0.00 36.38 31.41 1wyl s VAL 28 CO -0.03 -1.42 0.73 -1.28 0.00 0.00 0.00 175.10 173.10 1wyl h SER 29 N 10.40 0.13 -5.04 3.32 0.87 -1.97 -3.46 113.55 117.79 1wyl h SER 29 Ca 0.16 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1wyl h SER 29 Cb 1.00 -0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 62.78 1wyl h SER 29 CO 1.32 1.21 0.02 1.51 -0.53 0.00 0.00 176.83 180.35 1wyl s ASP 30 N -6.47 -0.36 -0.28 6.23 1.47 -1.26 -5.04 116.67 110.96 1wyl s ASP 30 Ca -0.07 -0.13 0.01 0.00 1.18 0.00 0.00 52.55 53.54 1wyl s ASP 30 Cb 0.08 0.51 0.30 0.00 -0.34 0.00 0.00 42.92 43.46 1wyl s ASP 30 CO 0.82 -0.85 1.70 0.18 0.68 0.00 0.00 175.17 177.70 1wyl n LEU 31 N -0.11 5.60 -0.02 2.11 4.32 -1.26 -3.38 117.00 124.27 1wyl n LEU 31 Ca -0.17 -2.91 -0.03 0.00 -0.02 0.00 0.00 56.01 52.89 1wyl n LEU 31 Cb 0.63 -0.83 -0.01 0.00 -1.62 0.00 0.00 43.42 41.59 1wyl n LEU 31 CO 0.16 0.97 -0.20 -1.20 -1.22 0.00 0.00 177.39 175.91 1wyl n SER 32 N -0.09 0.82 -0.00 -1.43 7.64 -1.26 -4.76 113.62 114.54 1wyl n SER 32 Ca 0.31 0.13 -0.00 0.00 1.01 0.00 0.00 58.87 60.32 1wyl n SER 32 Cb 0.89 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.65 1wyl n SER 32 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wyl n SER 33 N -3.30 4.74 0.14 6.43 3.41 -1.26 -4.48 113.62 119.30 1wyl n SER 33 Ca -0.04 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.73 1wyl n SER 33 Cb 0.15 0.61 0.54 0.00 -0.26 0.00 0.00 64.21 65.25 1wyl n SER 33 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wyl h SER 34 N 0.00 0.00 0.00 4.04 0.87 -1.90 1.28 113.55 117.85 1wyl h SER 34 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wyl h SER 34 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1wyl h SER 34 CO 0.00 0.00 -1.91 0.79 -0.53 0.00 0.00 176.83 175.18 1wyl n TRP 35 N -3.12 0.00 -0.11 2.24 7.02 -1.26 -4.36 117.44 117.85 1wyl n TRP 35 Ca 0.07 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.74 1wyl n TRP 35 Cb 0.84 -0.45 0.60 0.00 -2.42 0.00 0.00 31.31 29.87 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 1.84 2.34 -0.22 6.99 0.00 0.15 -2.00 119.26 128.36 1wyl h ALA 36 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1wyl h ALA 36 Cb 0.91 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1wyl h ALA 36 CO 0.00 -0.53 -0.25 0.38 0.00 0.00 0.00 179.25 178.85 1wyl h ASP 37 N 0.22 -0.80 0.00 0.00 2.03 -1.75 -3.36 116.42 112.77 1wyl h ASP 37 Ca 0.34 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.78 1wyl h ASP 37 Cb 1.02 0.37 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 1wyl h ASP 37 CO -0.07 -0.29 0.00 0.61 -1.03 0.00 0.00 179.24 178.46 1wyl n GLY 38 N -1.38 3.58 0.21 7.15 0.00 -0.75 -4.32 105.19 109.68 1wyl n GLY 38 Ca -0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 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 0.20 -0.32 0.99 3.38 -1.84 -2.99 115.31 114.72 1wyl h LEU 39 Ca 0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1wyl h LEU 39 Cb 0.00 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1wyl h LEU 39 CO 0.00 0.14 -0.19 0.00 0.09 0.00 0.00 178.44 178.48 1wyl n ALA 40 N -2.42 -0.21 -0.36 1.53 0.00 -1.26 0.13 120.51 117.92 1wyl n ALA 40 Ca 0.06 0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.85 1wyl n ALA 40 Cb 0.21 0.16 0.26 0.00 0.00 0.00 0.00 19.45 20.07 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 0.89 0.48 0.00 3.38 -1.82 -2.09 115.31 116.15 1wyl h LEU 41 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1wyl h LEU 41 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1wyl h LEU 41 CO -0.31 0.44 -0.35 0.00 0.09 0.00 0.00 178.44 178.31 1wyl h ALA 43 N -0.42 0.11 -0.86 0.00 0.00 -0.14 0.27 119.26 118.22 1wyl h ALA 43 Ca -0.05 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1wyl h ALA 43 Cb 0.69 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1wyl h ALA 43 CO 0.01 -0.54 0.48 1.25 0.00 0.00 0.00 179.25 180.46 1wyl h LEU 44 N -0.10 0.66 0.53 0.00 5.85 -1.22 0.15 115.31 121.17 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 0.38 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.36 1wyl h LEU 44 CO -0.43 0.34 -0.25 0.58 -0.34 0.00 0.00 178.44 178.34 1wyl h VAL 45 N 0.76 0.00 -0.69 1.05 2.07 0.04 -2.00 116.25 117.48 1wyl h VAL 45 Ca 0.44 -0.46 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1wyl h VAL 45 Cb 0.50 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.16 1wyl h VAL 45 CO -0.29 0.00 0.05 1.88 0.02 0.00 0.00 177.57 179.23 1wyl h TYR 46 N -1.17 0.04 0.80 1.57 0.05 -0.35 -2.28 116.97 115.63 1wyl h TYR 46 Ca -0.07 0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1wyl h TYR 46 Cb 0.54 0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1wyl h TYR 46 CO 0.00 -0.17 -0.43 0.00 -1.05 0.00 0.00 178.16 176.51 1wyl h ARG 47 N 0.15 -1.09 -0.92 4.88 2.47 -0.77 -2.68 114.38 116.41 1wyl h ARG 47 Ca 0.37 0.07 0.37 0.00 -1.26 0.00 0.00 59.98 59.53 1wyl h ARG 47 Cb 0.63 0.25 -0.17 0.00 -1.65 0.00 0.00 29.97 29.03 1wyl h ARG 47 CO -0.56 -0.73 0.42 1.28 0.56 0.00 0.00 179.97 180.94 1wyl n LEU 48 N -5.20 0.26 -3.78 3.04 4.77 -0.75 -3.19 117.00 112.15 1wyl n LEU 48 Ca -0.14 1.54 -0.30 0.00 -0.03 0.00 0.00 56.01 57.08 1wyl n LEU 48 Cb 0.46 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 1wyl n LEU 48 CO 0.33 -1.70 -0.31 -1.58 -1.33 0.00 0.00 177.39 172.80 1wyl s GLN 49 N -5.48 0.96 0.21 3.23 0.74 -0.93 -4.97 119.66 113.43 1wyl s GLN 49 Ca -0.09 -1.40 0.22 0.00 0.05 0.00 0.00 55.36 54.14 1wyl s GLN 49 Cb 0.31 -2.28 0.92 0.00 1.10 0.00 0.00 33.01 33.06 1wyl s GLN 49 CO 0.72 -1.01 1.67 -0.35 -0.55 0.00 0.00 175.29 175.76 1wyl n PRO 50 N 4.49 0.16 0.01 1.67 -0.04 -1.15 -2.93 135.00 137.19 1wyl n PRO 50 Ca 0.01 0.40 -0.18 0.00 -0.04 0.00 0.00 63.50 63.69 1wyl n PRO 50 Cb 0.40 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 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 2.25 0.81 -1.91 0.55 0.00 -1.92 -3.46 103.07 99.40 1wyl h GLY 51 Ca 0.00 -1.24 -0.54 0.00 0.00 0.00 0.00 47.33 45.55 1wyl h GLY 51 CO 0.00 1.10 0.03 1.04 0.00 0.00 0.00 176.54 178.71 1wyl n LEU 52 N -3.90 2.91 -3.99 3.11 4.77 -1.15 -4.95 117.00 113.80 1wyl n LEU 52 Ca -0.08 0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 1wyl n LEU 52 Cb 0.79 -1.40 0.13 0.00 -2.33 0.00 0.00 43.42 40.62 1wyl n LEU 52 CO 0.54 -2.31 -0.05 0.00 -1.33 0.00 0.00 177.39 174.24 1wyl n LEU 53 N -2.25 -1.47 -4.63 2.23 -0.00 -1.26 -5.01 117.00 104.61 1wyl n LEU 53 Ca 0.12 -0.33 -0.25 0.00 -0.00 0.00 0.00 56.01 55.54 1wyl n LEU 53 Cb 0.51 -0.73 -0.08 0.00 -0.00 0.00 0.00 43.42 43.11 1wyl n LEU 53 CO 0.49 -3.11 -0.35 -1.61 -0.00 0.00 0.00 177.39 172.81 1wyl s GLU 54 N -3.28 2.27 0.00 1.47 8.01 -1.26 -4.96 118.70 120.95 1wyl s GLU 54 Ca 0.33 -1.26 0.03 0.00 0.01 0.00 0.00 54.97 54.08 1wyl s GLU 54 Cb -0.05 -2.24 0.19 0.00 -4.31 0.00 0.00 34.13 27.72 1wyl s GLU 54 CO 0.31 0.42 0.66 -0.35 0.01 0.00 0.00 175.26 176.31 1wyl n PRO 55 N -0.35 0.49 -0.28 0.39 -0.04 -1.26 -4.16 135.00 129.79 1wyl n PRO 55 Ca -0.09 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 63.61 1wyl n PRO 55 Cb 0.57 -1.10 0.41 0.00 -0.04 0.00 0.00 33.50 33.33 1wyl n PRO 55 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wyl n SER 56 N -0.60 0.14 0.00 3.54 7.64 -1.26 0.24 113.62 123.32 1wyl n SER 56 Ca 0.02 0.86 -0.21 0.00 1.01 0.00 0.00 58.87 60.55 1wyl n SER 56 Cb 0.01 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.65 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1wyl h GLU 57 N 0.00 0.23 -0.93 1.43 3.07 -2.00 -3.34 114.58 113.04 1wyl h GLU 57 Ca 0.53 -0.39 0.23 0.00 -0.50 0.00 0.00 59.36 59.24 1wyl h GLU 57 Cb 1.69 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 29.68 1wyl h GLU 57 CO -0.30 1.19 0.63 -0.07 -1.40 0.00 0.00 179.01 179.05 1wyl h LEU 58 N -0.37 0.29 -1.30 1.33 4.07 0.29 -0.23 115.31 119.38 1wyl h LEU 58 Ca -0.28 0.04 0.36 0.00 0.08 0.00 0.00 57.88 58.08 1wyl h LEU 58 Cb 1.69 -0.02 -0.12 0.00 1.08 0.00 0.00 40.66 43.30 1wyl h LEU 58 CO 0.05 0.10 0.73 0.06 -1.08 0.00 0.00 178.44 178.31 1wyl h GLN 59 N 0.28 0.21 -1.05 1.13 -0.00 -1.24 0.27 115.11 114.71 1wyl h GLN 59 Ca 0.48 -0.01 -0.60 0.00 -0.00 0.00 0.00 58.65 58.51 1wyl h GLN 59 Cb 1.40 -0.05 -0.38 0.00 -0.00 0.00 0.00 27.48 28.45 1wyl h GLN 59 CO -0.14 0.14 -0.27 0.41 -0.00 0.00 0.00 178.83 178.96 1wyl n GLY 60 N -1.45 6.15 3.55 0.06 0.00 -0.10 -5.02 105.19 108.38 1wyl n GLY 60 Ca 0.33 -2.59 -0.24 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.68 2.81 0.61 0.99 1.43 0.95 -5.11 118.68 116.68 1wyl s LEU 61 Ca 0.54 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1wyl s LEU 61 Cb 0.43 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 1wyl s LEU 61 CO -0.05 -0.07 1.11 -0.83 0.23 0.00 0.00 176.35 176.74 1wyl s GLY 62 N -3.60 2.34 0.42 -3.19 0.00 -1.26 -4.81 107.32 97.21 1wyl s GLY 62 Ca 0.32 0.64 0.25 0.00 0.00 0.00 0.00 44.72 45.93 1wyl s GLY 62 CO 0.17 0.99 1.68 0.00 0.00 0.00 0.00 173.10 175.94 1wyl h ALA 63 N 0.53 2.53 0.00 3.20 0.00 -1.97 -0.10 119.26 123.45 1wyl h ALA 63 Ca -0.48 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1wyl h ALA 63 Cb 1.25 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1wyl h ALA 63 CO 0.55 -1.08 -0.11 1.25 0.00 0.00 0.00 179.25 179.86 1wyl h LEU 64 N 0.20 0.00 -1.44 0.00 5.85 -1.90 -3.32 115.31 114.70 1wyl h LEU 64 Ca 0.74 -0.86 0.42 0.00 0.84 0.00 0.00 57.88 59.02 1wyl h LEU 64 Cb 2.17 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 43.08 1wyl h LEU 64 CO -0.38 0.99 0.86 -0.33 -0.34 0.00 0.00 178.44 179.24 1wyl h GLU 65 N -1.00 0.10 0.15 1.25 4.39 -1.40 -1.33 114.58 116.75 1wyl h GLU 65 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1wyl h GLU 65 Cb 0.93 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1wyl h GLU 65 CO -0.02 0.07 -0.07 0.00 -1.16 0.00 0.00 179.01 177.83 1wyl h ALA 66 N 1.58 -0.84 -1.13 3.43 0.00 -1.43 -3.12 119.26 117.74 1wyl h ALA 66 Ca 0.80 -0.04 0.43 0.00 0.00 0.00 0.00 54.91 56.09 1wyl h ALA 66 Cb 2.52 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 20.22 1wyl h ALA 66 CO -0.38 -0.83 0.66 1.15 0.00 0.00 0.00 179.25 179.85 1wyl h THR 67 N -0.24 0.04 -0.13 0.00 2.02 -1.36 0.18 112.91 113.42 1wyl h THR 67 Ca -0.02 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1wyl h THR 67 Cb 0.16 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 1wyl h THR 67 CO 0.03 0.01 -0.41 0.00 0.37 0.00 0.00 175.52 175.52 1wyl h ALA 68 N 1.85 -0.57 0.53 6.16 0.00 -1.35 -1.32 119.26 124.56 1wyl h ALA 68 Ca 0.85 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.73 1wyl h ALA 68 Cb 2.38 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 20.92 1wyl h ALA 68 CO -0.64 -0.91 -0.51 2.35 0.00 0.00 0.00 179.25 179.53 1wyl h TRP 69 N -0.48 -1.42 -0.98 0.00 7.01 -0.64 -1.86 115.95 117.57 1wyl h TRP 69 Ca 0.08 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.17 1wyl h TRP 69 Cb 0.62 0.55 -0.12 0.00 -2.10 0.00 0.00 29.16 28.11 1wyl h TRP 69 CO -0.48 -0.69 -0.59 0.00 -2.79 0.00 0.00 178.44 173.90 1wyl h ALA 70 N -0.91 -0.56 -0.28 2.65 0.00 -1.33 1.61 119.26 120.43 1wyl h ALA 70 Ca -0.07 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1wyl h ALA 70 Cb 0.89 1.37 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 1wyl h ALA 70 CO -0.05 -0.97 0.29 -0.07 0.00 0.00 0.00 179.25 178.44 1wyl h LEU 71 N -0.01 0.00 0.00 0.00 3.38 -1.11 0.14 115.31 117.71 1wyl h LEU 71 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wyl h LEU 71 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wyl h LEU 71 CO -0.93 0.00 0.00 1.17 0.09 0.00 0.00 178.44 178.77 1wyl n LYS 72 N -3.86 0.00 -0.27 1.13 4.81 0.51 -2.05 118.16 118.44 1wyl n LYS 72 Ca 0.04 0.48 0.28 0.00 -0.87 0.00 0.00 58.31 58.24 1wyl n LYS 72 Cb 0.43 -1.01 0.65 0.00 0.02 0.00 0.00 35.03 35.13 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 0.51 -0.04 3.15 2.07 -0.45 0.57 116.25 122.05 1wyl h VAL 73 Ca 0.00 -0.05 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 1wyl h VAL 73 Cb 0.00 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1wyl h VAL 73 CO 0.00 0.03 -0.85 0.00 0.02 0.00 0.00 177.57 176.77 1wyl h ALA 74 N 1.53 0.44 0.00 1.67 0.00 -0.86 0.14 119.26 122.19 1wyl h ALA 74 Ca 0.52 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wyl h ALA 74 Cb 1.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1wyl h ALA 74 CO -0.10 0.78 -0.31 -1.91 0.00 0.00 0.00 179.25 177.71 1wyl n GLU 75 N -3.80 0.25 -0.07 0.00 0.00 0.12 0.14 120.64 117.29 1wyl n GLU 75 Ca -0.06 0.14 -0.06 0.00 0.00 0.00 0.00 57.16 57.17 1wyl n GLU 75 Cb 0.78 -1.72 -0.02 0.00 0.00 0.00 0.00 31.44 30.47 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 -2.13 1.53 0.00 4.31 3.02 0.15 -4.02 115.26 118.12 1wyl n ASN 76 Ca 0.05 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1wyl n ASN 76 Cb 0.43 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -4.08 0.00 -0.35 3.52 -0.58 0.50 -4.08 120.64 115.57 1wyl n GLU 77 Ca -0.10 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 1wyl n GLU 77 Cb 0.37 -1.17 0.14 0.00 -0.57 0.00 0.00 31.44 30.21 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 1.00 0.00 -4.62 3.38 -1.48 -3.47 115.31 110.12 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 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1wyl h LEU 78 CO 0.00 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1wyl n GLY 79 N -1.35 0.69 3.47 0.83 0.00 0.37 -4.97 105.19 104.23 1wyl n GLY 79 Ca 0.13 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1wyl n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wyl s ILE 80 N -2.00 4.50 0.08 -0.61 -1.09 0.12 -4.87 121.20 117.33 1wyl s ILE 80 Ca 0.00 -1.23 -0.36 0.00 -2.23 0.00 0.00 60.65 56.83 1wyl s ILE 80 Cb 0.00 -4.83 -0.18 0.00 -1.58 0.00 0.00 42.46 35.88 1wyl s ILE 80 CO 0.00 -1.59 1.08 0.41 -1.23 0.00 0.00 174.94 173.61 1wyl n THR 81 N 5.85 0.46 -2.04 2.92 -1.04 -1.26 -4.00 114.28 115.15 1wyl n THR 81 Ca 0.22 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.79 1wyl n THR 81 Cb 0.49 -0.38 -0.04 0.00 -1.82 0.00 0.00 70.33 68.58 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 -0.10 2.59 0.33 -2.82 0.04 -1.26 -4.81 135.00 128.97 1wyl s PRO 82 Ca 0.82 0.18 0.12 0.00 0.04 0.00 0.00 61.00 62.16 1wyl s PRO 82 Cb -1.06 -4.71 0.58 0.00 0.04 0.00 0.00 34.50 29.35 1wyl s PRO 82 CO 0.53 -3.04 1.74 -0.24 0.04 0.00 0.00 177.00 176.03 1wyl h VAL 83 N 7.07 1.31 -3.18 -0.36 3.04 -1.94 -3.41 116.25 118.77 1wyl h VAL 83 Ca -0.09 -1.62 -0.67 0.00 -1.01 0.00 0.00 66.70 63.32 1wyl h VAL 83 Cb 1.09 1.88 -0.33 0.00 -2.01 0.00 0.00 31.29 31.92 1wyl h VAL 83 CO 1.21 0.46 -0.83 -0.69 -1.01 0.00 0.00 177.57 176.71 1wyl s VAL 84 N -3.93 2.39 0.51 1.51 1.01 -1.26 -5.02 120.40 115.62 1wyl s VAL 84 Ca -0.02 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 1wyl s VAL 84 Cb 0.13 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 1wyl s VAL 84 CO 0.74 0.52 0.78 -0.24 0.00 0.00 0.00 175.10 176.89 1wyl n SER 85 N 4.47 0.11 -0.34 3.32 2.88 -1.26 -4.71 113.62 118.08 1wyl n SER 85 Ca -0.20 0.87 0.12 0.00 -1.33 0.00 0.00 58.87 58.33 1wyl n SER 85 Cb 0.51 -1.27 0.30 0.00 -0.75 0.00 0.00 64.21 63.00 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 0.77 1.60 0.48 -1.46 0.00 -1.96 -1.72 119.26 116.97 1wyl h ALA 86 Ca -0.45 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1wyl h ALA 86 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wyl h ALA 86 CO 0.51 -0.06 -0.23 0.37 0.00 0.00 0.00 179.25 179.84 1wyl h GLN 87 N 0.74 -0.63 -0.81 0.00 4.15 -1.96 -2.83 115.11 113.77 1wyl h GLN 87 Ca 0.56 0.04 0.19 0.00 0.77 0.00 0.00 58.65 60.22 1wyl h GLN 87 Cb 0.86 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 28.55 1wyl h GLN 87 CO -0.38 -0.32 0.03 0.00 -1.93 0.00 0.00 178.83 176.23 1wyl h ALA 88 N -0.63 0.89 0.31 3.38 0.00 -1.76 0.80 119.26 122.26 1wyl h ALA 88 Ca -0.07 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wyl h ALA 88 Cb 0.60 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1wyl h ALA 88 CO 0.11 -0.44 -0.39 0.28 0.00 0.00 0.00 179.25 178.81 1wyl h VAL 89 N 0.10 0.21 0.35 0.00 2.07 -1.32 -0.09 116.25 117.58 1wyl h VAL 89 Ca 0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.96 1wyl h VAL 89 Cb 0.83 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1wyl h VAL 89 CO -0.70 0.00 -0.17 0.58 0.02 0.00 0.00 177.57 177.30 1wyl h VAL 90 N -0.75 0.00 -0.92 2.57 2.07 -0.95 -3.24 116.25 115.03 1wyl h VAL 90 Ca -0.02 -0.22 0.30 0.00 0.82 0.00 0.00 66.70 67.58 1wyl h VAL 90 Cb 0.70 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.30 1wyl h VAL 90 CO -0.11 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.67 1wyl n ALA 91 N -2.41 0.64 -0.92 1.67 0.00 0.27 -4.68 120.51 115.09 1wyl n ALA 91 Ca -0.06 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.35 1wyl n ALA 91 Cb 0.18 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.38 1.12 0.13 0.00 0.00 -0.07 -5.02 105.19 99.97 1wyl n GLY 92 Ca 0.26 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 0.67 2.04 -4.20 1.61 2.88 -1.06 -4.70 113.62 110.85 1wyl n SER 93 Ca 0.00 0.15 -0.41 0.00 -1.33 0.00 0.00 58.87 57.28 1wyl n SER 93 Cb 0.20 -0.74 -0.05 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 -6.91 6.13 -0.02 -3.46 1.11 -1.25 -4.91 116.67 107.36 1wyl s ASP 94 Ca -0.28 -3.04 -0.26 0.00 0.18 0.00 0.00 52.55 49.14 1wyl s ASP 94 Cb 0.08 -2.03 -0.20 0.00 1.07 0.00 0.00 42.92 41.84 1wyl s ASP 94 CO 0.67 -0.39 1.27 1.55 1.18 0.00 0.00 175.17 179.45 1wyl h PRO 95 N 7.06 0.01 -0.36 8.23 0.13 -1.89 -3.24 132.00 141.93 1wyl h PRO 95 Ca 0.08 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1wyl h PRO 95 Cb 0.95 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 1wyl h PRO 95 CO 0.78 0.49 0.12 -0.07 -0.23 0.00 0.00 178.00 179.09 1wyl h LEU 96 N -0.47 0.12 -0.53 1.56 4.07 -1.92 -2.93 115.31 115.20 1wyl h LEU 96 Ca 0.00 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.07 1wyl h LEU 96 Cb 0.49 0.03 -0.10 0.00 1.08 0.00 0.00 40.66 42.16 1wyl h LEU 96 CO 0.00 0.10 -0.50 1.23 -1.08 0.00 0.00 178.44 178.19 1wyl h GLY 97 N 0.26 -0.73 -0.55 0.83 0.00 -1.97 -1.36 103.07 99.55 1wyl h GLY 97 Ca 0.16 0.65 0.11 0.00 0.00 0.00 0.00 47.33 48.25 1wyl h GLY 97 CO -0.17 -0.13 -0.39 -2.00 0.00 0.00 0.00 176.54 173.85 1wyl h LEU 98 N -0.29 -1.36 -0.56 3.11 5.85 -1.54 0.26 115.31 120.77 1wyl h LEU 98 Ca 0.13 0.25 0.11 0.00 0.84 0.00 0.00 57.88 59.21 1wyl h LEU 98 Cb 0.57 0.65 -0.11 0.00 0.37 0.00 0.00 40.66 42.14 1wyl h LEU 98 CO -0.66 -0.31 -0.20 0.40 -0.34 0.00 0.00 178.44 177.33 1wyl h ILE 99 N -0.16 0.34 -0.43 4.05 2.04 -1.24 -0.50 117.51 121.62 1wyl h ILE 99 Ca 0.23 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 1wyl h ILE 99 Cb 0.56 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1wyl h ILE 99 CO -0.74 0.00 0.20 0.00 0.00 0.00 0.00 178.15 177.61 1wyl h ALA 100 N 1.39 0.55 -0.27 1.87 0.00 -0.39 -2.35 119.26 120.06 1wyl h ALA 100 Ca 0.26 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1wyl h ALA 100 Cb 0.47 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1wyl h ALA 100 CO -0.61 0.12 -0.23 -0.92 0.00 0.00 0.00 179.25 177.61 1wyl h TYR 101 N 0.55 -0.61 -0.01 0.00 3.20 0.91 -2.26 116.97 118.75 1wyl h TYR 101 Ca 0.15 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1wyl h TYR 101 Cb 0.14 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1wyl h TYR 101 CO -0.01 -0.31 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.06 1wyl h LEU 102 N -0.22 -0.23 -0.86 2.82 3.38 -1.09 -2.41 115.31 116.70 1wyl h LEU 102 Ca 0.15 0.04 0.34 0.00 0.09 0.00 0.00 57.88 58.50 1wyl h LEU 102 Cb 0.45 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 1wyl h LEU 102 CO -0.40 -0.12 0.40 -0.24 0.09 0.00 0.00 178.44 178.17 1wyl n SER 103 N -5.20 0.24 -0.22 -0.43 2.88 -0.86 0.22 113.62 110.24 1wyl n SER 103 Ca -0.06 1.44 -0.04 0.00 -1.33 0.00 0.00 58.87 58.87 1wyl n SER 103 Cb 0.13 -0.67 0.06 0.00 -0.75 0.00 0.00 64.21 62.97 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 0.74 -0.18 0.66 3.86 -1.29 0.25 115.15 119.18 1wyl h HIS 104 Ca 0.70 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.94 1wyl h HIS 104 Cb 1.81 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 30.03 1wyl h HIS 104 CO -0.07 0.43 0.10 0.74 0.86 0.00 0.00 177.93 179.98 1wyl h PHE 105 N 0.78 0.18 0.46 2.45 -1.00 0.25 -2.66 116.94 117.40 1wyl h PHE 105 Ca 0.25 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.01 1wyl h PHE 105 Cb -0.00 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1wyl h PHE 105 CO -0.05 0.10 -0.22 1.25 -1.61 0.00 0.00 178.31 177.78 1wyl h HIS 106 N 0.20 -0.58 -1.41 -0.55 2.76 -1.13 0.47 115.15 114.91 1wyl h HIS 106 Ca 0.07 -0.01 0.41 0.00 -2.20 0.00 0.00 60.37 58.64 1wyl h HIS 106 Cb 0.01 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.10 1wyl h HIS 106 CO -0.09 -0.36 1.21 0.45 -1.30 0.00 0.00 177.93 177.84 1wyl n SER 107 N -4.42 0.00 -0.10 3.26 2.88 0.84 0.17 113.62 116.26 1wyl n SER 107 Ca -0.08 0.80 -0.17 0.00 -1.33 0.00 0.00 58.87 58.10 1wyl n SER 107 Cb 0.25 -0.35 -0.13 0.00 -0.75 0.00 0.00 64.21 63.22 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wyl n ALA 108 N -2.53 1.36 -2.14 -1.46 0.00 -1.00 -4.50 120.51 110.24 1wyl n ALA 108 Ca 0.32 -1.04 -0.32 0.00 0.00 0.00 0.00 53.44 52.39 1wyl n ALA 108 Cb 1.63 -0.25 0.02 0.00 0.00 0.00 0.00 19.45 20.85 1wyl n ALA 108 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wyl n PHE 109 N -3.20 3.18 -4.76 0.00 3.72 0.45 -5.00 117.46 111.86 1wyl n PHE 109 Ca -0.40 -2.72 -0.33 0.00 -0.05 0.00 0.00 57.45 53.95 1wyl n PHE 109 Cb 1.03 -0.64 -0.13 0.00 -0.94 0.00 0.00 39.48 38.80 1wyl n PHE 109 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1wyl s LYS 110 N -3.78 3.00 -0.89 -1.08 -2.85 0.17 -4.60 119.74 109.71 1wyl s LYS 110 Ca 0.51 -0.65 -0.05 0.00 -1.00 0.00 0.00 55.97 54.78 1wyl s LYS 110 Cb 0.42 -2.56 0.01 0.00 -2.06 0.00 0.00 37.83 33.64 1wyl s LYS 110 CO -0.25 0.44 0.77 0.45 0.10 0.00 0.00 175.35 176.86 1wyl n SER 111 N 2.88 -4.30 -4.91 0.03 2.88 -1.26 -5.02 113.62 103.92 1wyl n SER 111 Ca -0.18 -0.37 -0.26 0.00 -1.33 0.00 0.00 58.87 56.73 1wyl n SER 111 Cb 0.53 -3.56 0.07 0.00 -0.75 0.00 0.00 64.21 60.50 1wyl n SER 111 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyl s GLY 112 N -3.37 1.70 0.39 0.46 0.00 -1.26 -4.99 107.32 100.25 1wyl s GLY 112 Ca 0.31 -0.98 0.18 0.00 0.00 0.00 0.00 44.72 44.23 1wyl s GLY 112 CO 0.49 -0.56 1.80 -0.56 0.00 0.00 0.00 173.10 174.27 1wyl h PRO 113 N -0.58 0.00 -6.23 2.90 0.13 -1.99 -3.46 132.00 122.77 1wyl h PRO 113 Ca -0.44 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 1wyl h PRO 113 Cb 1.31 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.67 1wyl h PRO 113 CO 0.59 0.35 -1.43 0.43 -0.23 0.00 0.00 178.00 177.71 1wyl n SER 114 N -3.72 -4.69 -4.90 1.44 7.64 -1.26 -4.95 113.62 103.18 1wyl n SER 114 Ca -0.01 0.26 -0.34 0.00 1.01 0.00 0.00 58.87 59.80 1wyl n SER 114 Cb 0.45 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.28 6.42 0.00 6.43 0.15 -1.26 -5.13 113.70 119.02 1wyl s SER 115 Ca 0.46 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1wyl s SER 115 Cb -0.21 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1wyl s SER 115 CO 0.77 0.25 0.00 0.61 1.20 0.00 0.00 173.24 176.07