#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 3.97 0.05 1.61 0.15 -1.26 -5.12 113.70 113.10 1wyl s SER 2 Ca 0.00 -1.59 0.01 0.00 0.70 0.00 0.00 55.95 55.06 1wyl s SER 2 Cb 0.00 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 1wyl s SER 2 CO 0.00 -0.41 0.16 -0.94 1.20 0.00 0.00 173.24 173.24 1wyl s SER 3 N 1.66 6.06 -0.29 5.45 1.04 -1.26 -5.10 113.70 121.26 1wyl s SER 3 Ca 0.09 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.72 1wyl s SER 3 Cb -0.17 -1.80 0.18 0.00 0.10 0.00 0.00 66.02 64.33 1wyl s SER 3 CO -0.26 0.19 0.55 -0.83 0.98 0.00 0.00 173.24 173.87 1wyl s GLY 4 N -2.34 -0.94 -0.89 7.32 0.00 -1.26 -5.09 107.32 104.11 1wyl s GLY 4 Ca 0.31 1.36 -0.17 0.00 0.00 0.00 0.00 44.72 46.22 1wyl s GLY 4 CO 0.24 3.32 1.02 -0.45 0.00 0.00 0.00 173.10 177.23 1wyl s SER 5 N 2.78 6.65 -1.16 1.64 0.15 -1.26 -4.95 113.70 117.55 1wyl s SER 5 Ca 0.16 -2.20 -0.10 0.00 0.70 0.00 0.00 55.95 54.51 1wyl s SER 5 Cb -0.14 -2.35 0.24 0.00 -1.71 0.00 0.00 66.02 62.07 1wyl s SER 5 CO -0.22 -0.93 1.34 -1.54 1.20 0.00 0.00 173.24 173.08 1wyl n SER 6 N 5.84 5.51 -4.08 5.45 3.41 -1.26 -4.72 113.62 123.77 1wyl n SER 6 Ca 0.20 -3.08 -0.31 0.00 -0.26 0.00 0.00 58.87 55.43 1wyl n SER 6 Cb 0.48 -1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 62.94 1wyl n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyl n GLY 7 N 2.96 -0.26 3.12 5.00 0.00 -1.26 -4.92 105.19 109.82 1wyl n GLY 7 Ca 0.30 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 1wyl n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wyl s THR 8 N -4.09 1.31 0.23 2.61 2.01 -1.26 -5.03 115.64 111.42 1wyl s THR 8 Ca 0.11 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1wyl s THR 8 Cb -0.06 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1wyl s THR 8 CO 0.87 0.38 1.57 0.06 -0.69 0.00 0.00 174.62 176.81 1wyl h GLN 9 N 6.16 0.36 -0.75 4.92 3.07 -1.98 -3.19 115.11 123.70 1wyl h GLN 9 Ca -0.33 -0.22 0.17 0.00 0.09 0.00 0.00 58.65 58.36 1wyl h GLN 9 Cb 1.17 0.02 -0.13 0.00 0.08 0.00 0.00 27.48 28.63 1wyl h GLN 9 CO 0.48 0.81 0.06 1.49 0.09 0.00 0.00 178.83 181.76 1wyl h GLU 10 N 0.28 0.14 -0.23 0.06 4.81 -2.00 0.51 114.58 118.15 1wyl h GLU 10 Ca 0.01 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1wyl h GLU 10 Cb 1.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1wyl h GLU 10 CO 0.09 0.09 -0.09 1.49 -0.73 0.00 0.00 179.01 179.86 1wyl h GLU 11 N 0.14 0.37 -0.39 1.92 4.57 -1.95 -2.70 114.58 116.54 1wyl h GLU 11 Ca 0.42 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.40 1wyl h GLU 11 Cb 0.75 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1wyl h GLU 11 CO -0.63 0.48 -0.22 1.25 -1.18 0.00 0.00 179.01 178.71 1wyl h LEU 12 N 0.35 0.86 -0.39 1.64 5.85 -0.15 -2.96 115.31 120.52 1wyl h LEU 12 Ca 0.07 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1wyl h LEU 12 Cb 0.39 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1wyl h LEU 12 CO 0.02 1.09 0.24 0.25 -0.34 0.00 0.00 178.44 179.70 1wyl h LEU 13 N 0.63 0.39 -0.51 2.25 5.85 -0.67 -0.54 115.31 122.72 1wyl h LEU 13 Ca 0.08 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1wyl h LEU 13 Cb 0.78 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1wyl h LEU 13 CO 0.06 0.29 0.19 0.03 -0.34 0.00 0.00 178.44 178.66 1wyl h ARG 14 N 0.48 0.36 -0.10 1.25 2.47 -1.46 0.13 114.38 117.51 1wyl h ARG 14 Ca 0.15 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1wyl h ARG 14 Cb -0.02 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 1wyl h ARG 14 CO -0.06 0.24 0.03 2.35 0.56 0.00 0.00 179.97 183.08 1wyl h TRP 15 N 0.37 0.16 -0.43 3.04 7.01 -1.30 -2.80 115.95 121.99 1wyl h TRP 15 Ca 0.24 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.25 1wyl h TRP 15 Cb 0.26 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1wyl h TRP 15 CO -0.16 0.32 0.29 0.00 -2.79 0.00 0.00 178.44 176.10 1wyl h GLN 17 N 0.49 1.20 -0.02 0.00 4.20 -0.49 0.26 115.11 120.74 1wyl h GLN 17 Ca 0.17 -0.09 -0.24 0.00 0.06 0.00 0.00 58.65 58.56 1wyl h GLN 17 Cb 0.08 -0.26 0.02 0.00 0.30 0.00 0.00 27.48 27.62 1wyl h GLN 17 CO -0.04 0.81 -0.91 0.93 -0.67 0.00 0.00 178.83 178.95 1wyl h GLU 18 N 1.22 0.66 0.56 1.46 5.08 -1.18 -2.61 114.58 119.77 1wyl h GLU 18 Ca 0.33 -0.68 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1wyl h GLU 18 Cb -0.10 0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wyl h GLU 18 CO -0.07 1.27 -0.27 1.96 -1.00 0.00 0.00 179.01 180.91 1wyl h GLN 19 N 0.31 -0.72 0.00 2.33 1.08 -1.02 -2.89 115.11 114.20 1wyl h GLN 19 Ca -0.11 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1wyl h GLN 19 Cb 1.57 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 1wyl h GLN 19 CO 0.18 -0.42 0.00 1.79 -0.95 0.00 0.00 178.83 179.43 1wyl h THR 20 N -1.06 0.00 -4.09 -0.54 1.35 -0.63 -3.44 112.91 104.50 1wyl h THR 20 Ca -0.08 -0.02 -0.54 0.00 -0.55 0.00 0.00 66.41 65.22 1wyl h THR 20 Cb 0.64 0.77 0.18 0.00 -1.73 0.00 0.00 68.15 68.01 1wyl h THR 20 CO 0.13 0.00 0.26 0.00 -0.25 0.00 0.00 175.52 175.66 1wyl n ALA 21 N -1.93 -0.15 0.00 6.62 0.00 -0.98 -3.14 120.51 120.93 1wyl n ALA 21 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1wyl n ALA 21 Cb 0.06 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 0.68 2.69 3.67 0.00 0.00 -1.26 -5.01 105.19 105.96 1wyl n GLY 22 Ca 0.13 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.19 1.83 -0.63 1.61 6.14 -1.19 -4.90 117.35 119.02 1wyl s TYR 23 Ca 0.00 -0.02 -0.26 0.00 0.64 0.00 0.00 57.07 57.42 1wyl s TYR 23 Cb 0.00 -4.06 -0.02 0.00 0.42 0.00 0.00 41.96 38.30 1wyl s TYR 23 CO 0.00 -4.51 1.87 -1.25 0.64 0.00 0.00 175.55 172.30 1wyl s PRO 24 N 3.83 2.62 0.00 4.97 0.04 -1.26 -2.84 135.00 142.36 1wyl s PRO 24 Ca 0.79 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1wyl s PRO 24 Cb -0.39 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1wyl s PRO 24 CO 0.35 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 175.02 1wyl n GLY 25 N 5.77 1.82 2.77 0.56 0.00 -1.26 -5.13 105.19 109.72 1wyl n GLY 25 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.13 -0.46 1.61 1.01 -1.13 -4.88 120.40 114.41 1wyl s VAL 26 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1wyl s VAL 26 Cb 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 36.38 36.35 1wyl s VAL 26 CO 0.00 0.14 0.33 -1.38 0.00 0.00 0.00 175.10 174.19 1wyl s HIS 27 N 1.85 1.68 -1.02 5.22 -3.43 -1.26 -4.87 115.29 113.45 1wyl s HIS 27 Ca -0.00 -2.43 -0.23 0.00 -0.80 0.00 0.00 55.06 51.59 1wyl s HIS 27 Cb -0.12 -1.45 -0.04 0.00 -1.43 0.00 0.00 32.58 29.53 1wyl s HIS 27 CO -0.04 -0.77 1.88 0.08 -2.00 0.00 0.00 174.74 173.90 1wyl s VAL 28 N -0.02 3.56 0.03 -5.38 1.01 -1.26 -4.70 120.40 113.64 1wyl s VAL 28 Ca 0.26 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1wyl s VAL 28 Cb -0.07 -4.35 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 1wyl s VAL 28 CO -0.12 -1.11 1.02 -1.28 0.00 0.00 0.00 175.10 173.61 1wyl h SER 29 N 10.45 0.00 -5.10 3.32 0.87 -1.97 -3.45 113.55 117.68 1wyl h SER 29 Ca 0.16 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 1wyl h SER 29 Cb 0.98 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 1wyl h SER 29 CO 1.25 0.95 0.33 -0.62 -0.53 0.00 0.00 176.83 178.21 1wyl s ASP 30 N -6.40 -0.11 -0.60 6.23 2.15 -1.26 -5.04 116.67 111.63 1wyl s ASP 30 Ca -0.01 -0.81 -0.00 0.00 0.43 0.00 0.00 52.55 52.16 1wyl s ASP 30 Cb 0.09 0.72 0.51 0.00 -0.30 0.00 0.00 42.92 43.94 1wyl s ASP 30 CO 0.82 -1.38 1.99 0.18 -0.17 0.00 0.00 175.17 176.60 1wyl n LEU 31 N -0.52 7.38 0.00 -1.34 4.32 -1.26 -4.04 117.00 121.54 1wyl n LEU 31 Ca -0.06 -4.12 0.00 0.00 -0.02 0.00 0.00 56.01 51.81 1wyl n LEU 31 Cb 0.60 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 1wyl n LEU 31 CO 0.20 1.37 0.00 -1.20 -1.22 0.00 0.00 177.39 176.54 1wyl n SER 32 N -0.98 0.00 -0.01 -1.43 7.64 -1.26 -4.80 113.62 112.78 1wyl n SER 32 Ca 0.62 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.49 1wyl n SER 32 Cb 0.93 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1wyl n SER 32 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wyl n SER 33 N -2.36 4.19 -0.02 6.43 7.64 -1.26 -4.43 113.62 123.81 1wyl n SER 33 Ca 0.00 0.00 0.24 0.00 1.01 0.00 0.00 58.87 60.12 1wyl n SER 33 Cb 0.00 0.84 0.66 0.00 -1.01 0.00 0.00 64.21 64.70 1wyl n SER 33 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wyl h SER 34 N 0.00 0.00 0.00 6.43 0.87 -1.91 0.83 113.55 119.77 1wyl h SER 34 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1wyl h SER 34 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1wyl h SER 34 CO 0.00 0.00 -1.83 0.79 -0.53 0.00 0.00 176.83 175.26 1wyl n TRP 35 N -3.59 0.00 -0.64 2.24 7.02 -1.26 -4.45 117.44 116.76 1wyl n TRP 35 Ca 0.13 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.57 1wyl n TRP 35 Cb 0.92 -0.42 -0.04 0.00 -2.42 0.00 0.00 31.31 29.35 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 -2.14 4.61 0.00 6.99 0.00 0.29 -3.36 120.51 126.91 1wyl n ALA 36 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1wyl n ALA 36 Cb 0.52 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1wyl n ALA 36 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wyl n ASP 37 N 1.70 3.15 0.00 0.00 5.75 -1.25 -4.66 116.55 121.24 1wyl n ASP 37 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1wyl n ASP 37 Cb 0.60 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wyl n GLY 38 N 2.51 2.90 0.19 6.12 0.00 -1.21 -4.36 105.19 111.33 1wyl n GLY 38 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 1wyl n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyl h LEU 39 N 0.00 -0.21 -0.13 0.99 3.38 -1.89 -2.75 115.31 114.70 1wyl h LEU 39 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1wyl h LEU 39 Cb 0.00 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1wyl h LEU 39 CO 0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 178.44 178.38 1wyl n ALA 40 N -2.64 -0.08 -0.31 1.53 0.00 -1.26 0.13 120.51 117.87 1wyl n ALA 40 Ca 0.04 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1wyl n ALA 40 Cb 0.24 0.26 0.28 0.00 0.00 0.00 0.00 19.45 20.24 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 0.83 -0.58 0.00 3.38 -1.79 -1.38 115.31 115.77 1wyl h LEU 41 Ca 0.02 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1wyl h LEU 41 Cb 0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1wyl h LEU 41 CO -0.12 0.47 0.33 0.00 0.09 0.00 0.00 178.44 179.21 1wyl h ALA 43 N 1.29 0.01 -0.91 0.00 0.00 0.76 0.38 119.26 120.79 1wyl h ALA 43 Ca 0.25 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1wyl h ALA 43 Cb 0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1wyl h ALA 43 CO -0.14 -0.42 0.53 1.25 0.00 0.00 0.00 179.25 180.47 1wyl h LEU 44 N -0.13 0.71 0.12 0.00 5.85 -1.13 0.26 115.31 120.99 1wyl h LEU 44 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1wyl h LEU 44 Cb 0.14 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1wyl h LEU 44 CO -0.00 0.34 -0.06 0.58 -0.34 0.00 0.00 178.44 178.97 1wyl h VAL 45 N 0.79 0.00 -0.62 1.05 2.07 -1.09 -2.04 116.25 116.40 1wyl h VAL 45 Ca 0.47 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.52 1wyl h VAL 45 Cb 0.58 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 1wyl h VAL 45 CO -0.31 0.00 -0.28 1.88 0.02 0.00 0.00 177.57 178.88 1wyl h TYR 46 N -0.75 -0.74 0.74 1.57 0.05 -0.17 -1.81 116.97 115.86 1wyl h TYR 46 Ca -0.02 0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1wyl h TYR 46 Cb 0.12 0.42 0.01 0.00 1.01 0.00 0.00 36.73 38.29 1wyl h TYR 46 CO 0.01 -0.36 -0.35 -0.09 -1.05 0.00 0.00 178.16 176.32 1wyl h ARG 47 N -0.11 -0.95 -1.13 4.88 1.12 -0.64 -2.72 114.38 114.83 1wyl h ARG 47 Ca 0.27 0.06 0.42 0.00 -1.11 0.00 0.00 59.98 59.62 1wyl h ARG 47 Cb 0.54 0.22 -0.15 0.00 -0.01 0.00 0.00 29.97 30.57 1wyl h ARG 47 CO -0.69 -0.62 0.69 1.28 -3.11 0.00 0.00 179.97 177.51 1wyl n LEU 48 N -5.50 0.25 -3.67 3.80 4.77 -0.76 -3.20 117.00 112.69 1wyl n LEU 48 Ca -0.14 1.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.95 1wyl n LEU 48 Cb 0.40 -0.69 -0.15 0.00 -2.33 0.00 0.00 43.42 40.66 1wyl n LEU 48 CO 0.37 -1.55 -0.32 -1.58 -1.33 0.00 0.00 177.39 172.98 1wyl s GLN 49 N -5.26 0.63 0.00 3.23 0.74 -0.75 -4.97 119.66 113.28 1wyl s GLN 49 Ca -0.08 -1.05 0.15 0.00 0.05 0.00 0.00 55.36 54.43 1wyl s GLN 49 Cb 0.30 -1.78 0.84 0.00 1.10 0.00 0.00 33.01 33.47 1wyl s GLN 49 CO 0.75 -1.03 1.37 -0.35 -0.55 0.00 0.00 175.29 175.49 1wyl n PRO 50 N 4.77 0.35 0.05 1.67 -0.04 -1.19 -2.55 135.00 138.05 1wyl n PRO 50 Ca -0.01 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1wyl n PRO 50 Cb 0.41 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.44 0.00 -1.92 0.55 0.00 -1.92 -3.47 103.07 98.76 1wyl h GLY 51 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 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 -6.28 3.67 1.04 3.11 1.43 -1.06 -5.00 118.68 115.59 1wyl s LEU 52 Ca -0.01 1.93 -0.24 0.00 -1.03 0.00 0.00 54.13 54.78 1wyl s LEU 52 Cb 0.09 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 1wyl s LEU 52 CO 0.80 -1.06 -1.01 0.00 0.23 0.00 0.00 176.35 175.31 1wyl n LEU 53 N -1.53 -2.93 -4.81 1.79 -0.00 -1.26 -4.98 117.00 103.28 1wyl n LEU 53 Ca 0.10 -0.02 -0.24 0.00 -0.00 0.00 0.00 56.01 55.85 1wyl n LEU 53 Cb 0.52 -0.67 -0.05 0.00 -0.00 0.00 0.00 43.42 43.23 1wyl n LEU 53 CO 0.43 -2.91 -0.19 -1.61 -0.00 0.00 0.00 177.39 173.11 1wyl s GLU 54 N -2.46 2.92 0.00 1.47 0.41 -1.26 -4.93 118.70 114.85 1wyl s GLU 54 Ca 0.43 -0.96 0.07 0.00 -0.41 0.00 0.00 54.97 54.10 1wyl s GLU 54 Cb 0.02 -2.61 0.43 0.00 -1.78 0.00 0.00 34.13 30.19 1wyl s GLU 54 CO 0.67 0.44 0.89 -0.35 -0.49 0.00 0.00 175.26 176.42 1wyl n PRO 55 N -0.79 0.49 -0.27 0.39 -0.04 -1.26 -4.12 135.00 129.40 1wyl n PRO 55 Ca -0.08 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 63.62 1wyl n PRO 55 Cb 0.56 -1.23 0.40 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.73 0.14 -0.01 3.54 7.64 -1.26 0.23 113.62 123.17 1wyl n SER 56 Ca 0.05 0.86 -0.21 0.00 1.01 0.00 0.00 58.87 60.59 1wyl n SER 56 Cb 0.02 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 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 0.20 -0.45 1.43 3.07 -2.00 -3.33 114.58 113.50 1wyl h GLU 57 Ca 0.53 -0.35 0.13 0.00 -0.50 0.00 0.00 59.36 59.18 1wyl h GLU 57 Cb 1.67 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.69 1wyl h GLU 57 CO -0.31 1.17 0.67 -0.07 -1.40 0.00 0.00 179.01 179.06 1wyl h LEU 58 N -0.42 0.00 -0.75 1.33 4.07 0.26 0.10 115.31 119.91 1wyl h LEU 58 Ca -0.29 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.76 1wyl h LEU 58 Cb 1.67 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.34 1wyl h LEU 58 CO 0.03 0.00 0.39 1.56 -1.08 0.00 0.00 178.44 179.34 1wyl h GLN 59 N 0.00 0.65 -1.20 1.13 1.08 -1.39 -2.57 115.11 112.81 1wyl h GLN 59 Ca 0.21 -0.04 -0.62 0.00 -1.45 0.00 0.00 58.65 56.75 1wyl h GLN 59 Cb 1.55 -0.15 -0.37 0.00 -0.05 0.00 0.00 27.48 28.46 1wyl h GLN 59 CO -0.00 0.43 -0.12 0.41 -0.95 0.00 0.00 178.83 178.60 1wyl n GLY 60 N -1.31 6.05 0.60 3.46 0.00 0.35 -4.70 105.19 109.64 1wyl n GLY 60 Ca 0.12 -2.58 -0.03 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.67 1.12 0.00 0.99 4.77 -0.97 -5.10 117.00 117.13 1wyl n LEU 61 Ca 0.49 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1wyl n LEU 61 Cb 0.71 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wyl n LEU 61 CO 0.49 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1wyl n GLY 62 N 2.57 2.35 0.23 -0.72 0.00 -1.26 -4.78 105.19 103.59 1wyl n GLY 62 Ca -0.05 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 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 0.66 0.00 4.61 0.00 -1.94 -2.87 119.26 119.72 1wyl h ALA 63 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1wyl h ALA 63 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1wyl h ALA 63 CO 0.00 0.21 -0.30 1.25 0.00 0.00 0.00 179.25 180.41 1wyl h LEU 64 N 0.68 0.00 -1.32 0.00 5.85 -1.94 -3.27 115.31 115.31 1wyl h LEU 64 Ca 0.18 -0.76 0.46 0.00 0.84 0.00 0.00 57.88 58.59 1wyl h LEU 64 Cb 0.10 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.00 1wyl h LEU 64 CO -0.02 1.06 0.85 -0.62 -0.34 0.00 0.00 178.44 179.36 1wyl n GLU 65 N -4.59 -0.04 0.19 1.25 -0.58 -1.24 0.30 120.64 115.94 1wyl n GLU 65 Ca -0.14 1.21 -0.13 0.00 -0.42 0.00 0.00 57.16 57.68 1wyl n GLU 65 Cb 0.48 -2.39 -0.08 0.00 -0.57 0.00 0.00 31.44 28.88 1wyl n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wyl h ALA 66 N 1.55 -0.50 -0.83 0.62 0.00 -1.62 -3.20 119.26 115.29 1wyl h ALA 66 Ca 0.85 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.77 1wyl h ALA 66 Cb 2.72 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 20.58 1wyl h ALA 66 CO -0.46 -0.60 0.25 1.15 0.00 0.00 0.00 179.25 179.60 1wyl h THR 67 N -0.86 0.45 -0.67 0.00 2.02 -0.25 0.18 112.91 113.78 1wyl h THR 67 Ca -0.05 -0.10 0.14 0.00 0.77 0.00 0.00 66.41 67.17 1wyl h THR 67 Cb 0.54 0.13 -0.12 0.00 -1.74 0.00 0.00 68.15 66.96 1wyl h THR 67 CO 0.08 0.05 -0.02 0.00 0.37 0.00 0.00 175.52 176.01 1wyl h ALA 68 N 1.69 0.64 0.80 6.16 0.00 -1.39 -1.53 119.26 125.63 1wyl h ALA 68 Ca 0.50 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.58 1wyl h ALA 68 Cb 0.92 0.38 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1wyl h ALA 68 CO -0.56 -0.41 -0.38 2.35 0.00 0.00 0.00 179.25 180.25 1wyl h TRP 69 N 0.10 -1.00 -0.97 0.00 7.01 -1.00 -2.48 115.95 117.62 1wyl h TRP 69 Ca 0.35 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.47 1wyl h TRP 69 Cb 0.58 0.33 -0.15 0.00 -2.10 0.00 0.00 29.16 27.82 1wyl h TRP 69 CO -0.40 -0.61 -0.41 0.00 -2.79 0.00 0.00 178.44 174.22 1wyl n ALA 70 N -2.66 -0.21 0.23 2.65 0.00 -0.92 0.22 120.51 119.81 1wyl n ALA 70 Ca -0.14 0.94 0.10 0.00 0.00 0.00 0.00 53.44 54.35 1wyl n ALA 70 Cb 0.43 -0.38 0.67 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 0.01 0.00 3.38 -1.29 -0.21 115.31 117.20 1wyl h LEU 71 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1wyl h LEU 71 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1wyl h LEU 71 CO -0.95 0.00 -0.01 0.50 0.09 0.00 0.00 178.44 178.07 1wyl h LYS 72 N 0.00 -0.02 -1.01 1.13 3.64 0.31 -0.97 116.57 119.65 1wyl h LYS 72 Ca 0.04 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.71 1wyl h LYS 72 Cb 0.15 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1wyl h LYS 72 CO -0.00 -0.01 0.73 0.28 -2.27 0.00 0.00 179.45 178.18 1wyl h VAL 73 N -0.05 0.48 0.06 2.00 2.07 -0.83 0.53 116.25 120.51 1wyl h VAL 73 Ca -0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 1wyl h VAL 73 Cb 0.01 0.49 0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1wyl h VAL 73 CO 0.00 0.00 -0.99 0.00 0.02 0.00 0.00 177.57 176.60 1wyl h ALA 74 N 1.48 0.03 0.00 1.67 0.00 -1.11 0.16 119.26 121.50 1wyl h ALA 74 Ca 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wyl h ALA 74 Cb 1.94 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1wyl h ALA 74 CO -0.01 0.56 0.00 1.49 0.00 0.00 0.00 179.25 181.30 1wyl h GLU 75 N 0.13 0.00 0.00 0.00 4.22 0.77 2.05 114.58 121.75 1wyl h GLU 75 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1wyl h GLU 75 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1wyl h GLU 75 CO 0.19 0.00 -0.46 0.09 -2.18 0.00 0.00 179.01 176.65 1wyl n ASN 76 N -2.55 1.16 0.01 1.04 3.02 0.15 -3.93 115.26 114.16 1wyl n ASN 76 Ca 0.04 0.35 -0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1wyl n ASN 76 Cb 0.42 -0.69 -0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.62 -0.02 -0.14 3.52 4.39 -1.12 -3.33 114.58 117.27 1wyl h GLU 77 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1wyl h GLU 77 Cb 0.46 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1wyl h GLU 77 CO 0.00 -0.02 0.10 -0.07 -1.16 0.00 0.00 179.01 177.86 1wyl h LEU 78 N -0.07 0.01 0.30 1.33 3.38 -1.41 -3.46 115.31 115.39 1wyl h LEU 78 Ca -0.00 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1wyl h LEU 78 Cb 0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1wyl h LEU 78 CO 0.00 0.01 -0.09 0.61 0.09 0.00 0.00 178.44 179.06 1wyl n GLY 79 N -1.56 0.64 3.51 0.83 0.00 0.65 -4.95 105.19 104.32 1wyl n GLY 79 Ca 0.00 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.18 4.24 0.05 -0.61 -1.09 0.12 -4.85 121.20 116.88 1wyl s ILE 80 Ca 0.00 -0.97 -0.38 0.00 -2.23 0.00 0.00 60.65 57.07 1wyl s ILE 80 Cb 0.00 -4.92 -0.18 0.00 -1.58 0.00 0.00 42.46 35.78 1wyl s ILE 80 CO 0.00 -1.74 1.19 0.41 -1.23 0.00 0.00 174.94 173.57 1wyl n THR 81 N 6.26 0.07 -2.04 2.92 -1.04 -1.26 -3.90 114.28 115.29 1wyl n THR 81 Ca 0.25 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.88 1wyl n THR 81 Cb 0.50 -0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.20 2.61 0.21 -2.82 0.04 -1.26 -4.82 135.00 129.15 1wyl s PRO 82 Ca 0.87 0.44 0.04 0.00 0.04 0.00 0.00 61.00 62.38 1wyl s PRO 82 Cb -1.10 -4.52 0.15 0.00 0.04 0.00 0.00 34.50 29.08 1wyl s PRO 82 CO 0.52 -2.87 1.49 -0.24 0.04 0.00 0.00 177.00 175.94 1wyl h VAL 83 N 6.97 1.43 -3.56 -0.36 3.04 -1.94 -3.44 116.25 118.38 1wyl h VAL 83 Ca -0.19 -2.24 -0.67 0.00 -1.01 0.00 0.00 66.70 62.60 1wyl h VAL 83 Cb 1.13 2.19 -0.16 0.00 -2.01 0.00 0.00 31.29 32.44 1wyl h VAL 83 CO 1.22 0.66 -0.72 -0.69 -1.01 0.00 0.00 177.57 177.02 1wyl s VAL 84 N -3.54 3.48 0.03 1.51 1.01 -1.26 -5.04 120.40 116.59 1wyl s VAL 84 Ca -0.03 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 1wyl s VAL 84 Cb 0.11 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1wyl s VAL 84 CO 0.81 0.18 1.05 -0.44 0.00 0.00 0.00 175.10 176.70 1wyl s SER 85 N -2.02 7.28 0.25 3.32 0.01 -1.26 -4.91 113.70 116.37 1wyl s SER 85 Ca 0.21 1.79 0.05 0.00 1.31 0.00 0.00 55.95 59.30 1wyl s SER 85 Cb -0.11 -2.57 0.69 0.00 0.21 0.00 0.00 66.02 64.23 1wyl s SER 85 CO 0.13 -0.32 1.22 0.00 0.41 0.00 0.00 173.24 174.67 1wyl n ALA 86 N 3.84 0.48 0.37 1.44 0.00 -1.26 0.37 120.51 125.74 1wyl n ALA 86 Ca 0.07 0.82 -0.17 0.00 0.00 0.00 0.00 53.44 54.16 1wyl n ALA 86 Cb 0.49 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.90 -0.94 0.00 4.15 -1.96 -2.69 115.11 112.77 1wyl h GLN 87 Ca 0.51 0.06 0.25 0.00 0.77 0.00 0.00 58.65 60.24 1wyl h GLN 87 Cb 1.13 0.20 -0.13 0.00 0.21 0.00 0.00 27.48 28.89 1wyl h GLN 87 CO -0.70 -0.58 0.45 0.00 -1.93 0.00 0.00 178.83 176.07 1wyl h ALA 88 N -0.74 1.59 0.72 3.38 0.00 -0.47 0.92 119.26 124.66 1wyl h ALA 88 Ca -0.09 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wyl h ALA 88 Cb 0.73 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wyl h ALA 88 CO 0.16 -0.39 -0.48 0.28 0.00 0.00 0.00 179.25 178.81 1wyl h VAL 89 N 0.40 0.03 0.42 0.00 2.07 -1.06 -1.58 116.25 116.54 1wyl h VAL 89 Ca 0.61 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.11 1wyl h VAL 89 Cb 1.22 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1wyl h VAL 89 CO -0.55 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 177.42 1wyl h VAL 90 N -1.14 0.00 -0.88 2.57 2.07 -0.96 -3.24 116.25 114.67 1wyl h VAL 90 Ca -0.09 -0.48 0.36 0.00 0.82 0.00 0.00 66.70 67.31 1wyl h VAL 90 Cb 0.93 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.54 1wyl h VAL 90 CO 0.07 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.12 1wyl n ALA 91 N -2.65 0.89 -2.22 1.67 0.00 0.31 -4.74 120.51 113.77 1wyl n ALA 91 Ca -0.07 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.26 1wyl n ALA 91 Cb 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.23 0.93 0.13 0.00 0.00 -0.60 -5.00 105.19 99.42 1wyl n GLY 92 Ca 0.33 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 1.39 2.03 -4.00 1.61 2.88 -1.16 -4.74 113.62 111.64 1wyl n SER 93 Ca 0.00 0.10 -0.32 0.00 -1.33 0.00 0.00 58.87 57.32 1wyl n SER 93 Cb 0.45 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 63.10 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 -6.86 4.72 0.36 -3.46 1.11 -1.26 -4.92 116.67 106.35 1wyl s ASP 94 Ca -0.29 -3.08 0.15 0.00 0.18 0.00 0.00 52.55 49.50 1wyl s ASP 94 Cb 0.08 -1.72 0.67 0.00 1.07 0.00 0.00 42.92 43.02 1wyl s ASP 94 CO 0.67 -0.26 1.76 1.55 1.18 0.00 0.00 175.17 180.07 1wyl h PRO 95 N 6.53 0.00 0.16 8.23 0.13 -1.88 -3.22 132.00 141.95 1wyl h PRO 95 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1wyl h PRO 95 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1wyl h PRO 95 CO 0.71 0.42 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.75 1wyl h LEU 96 N 0.00 -0.18 -0.62 1.56 4.07 -1.95 -3.10 115.31 115.10 1wyl h LEU 96 Ca -0.00 -0.19 0.12 0.00 0.08 0.00 0.00 57.88 57.89 1wyl h LEU 96 Cb 0.81 0.05 -0.12 0.00 1.08 0.00 0.00 40.66 42.48 1wyl h LEU 96 CO 0.05 0.09 -0.20 1.23 -1.08 0.00 0.00 178.44 178.54 1wyl h GLY 97 N -0.46 0.33 0.01 0.83 0.00 -1.97 -1.73 103.07 100.08 1wyl h GLY 97 Ca -0.02 0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1wyl h GLY 97 CO 0.04 -0.24 -0.43 -2.00 0.00 0.00 0.00 176.54 173.91 1wyl h LEU 98 N -0.04 -1.34 -0.68 3.11 5.85 -1.62 0.31 115.31 120.89 1wyl h LEU 98 Ca 0.29 0.18 0.14 0.00 0.84 0.00 0.00 57.88 59.32 1wyl h LEU 98 Cb 0.49 0.54 -0.13 0.00 0.37 0.00 0.00 40.66 41.93 1wyl h LEU 98 CO -0.65 -0.43 -0.14 0.40 -0.34 0.00 0.00 178.44 177.28 1wyl h ILE 99 N -0.50 0.34 -0.65 4.05 2.04 -1.26 0.12 117.51 121.65 1wyl h ILE 99 Ca 0.07 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1wyl h ILE 99 Cb 0.63 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1wyl h ILE 99 CO -0.40 0.00 0.15 0.00 0.00 0.00 0.00 178.15 177.91 1wyl h ALA 100 N 1.67 0.86 0.70 1.87 0.00 -0.78 -2.64 119.26 120.94 1wyl h ALA 100 Ca 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1wyl h ALA 100 Cb 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wyl h ALA 100 CO -0.68 0.58 -0.51 -0.92 0.00 0.00 0.00 179.25 177.72 1wyl h TYR 101 N 0.96 -1.37 -0.76 0.00 3.20 0.21 -2.76 116.97 116.46 1wyl h TYR 101 Ca 0.20 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.23 1wyl h TYR 101 Cb 0.37 0.51 -0.11 0.00 1.54 0.00 0.00 36.73 39.04 1wyl h TYR 101 CO 0.03 -0.72 0.24 -0.07 -1.64 0.00 0.00 178.16 175.99 1wyl h LEU 102 N -1.15 0.13 -1.17 2.82 3.38 -1.08 0.34 115.31 118.58 1wyl h LEU 102 Ca -0.09 0.13 0.41 0.00 0.09 0.00 0.00 57.88 58.42 1wyl h LEU 102 Cb 0.95 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.70 1wyl h LEU 102 CO 0.04 0.01 0.68 -1.28 0.09 0.00 0.00 178.44 177.99 1wyl h SER 103 N 0.34 0.33 -0.29 -0.43 0.87 -1.16 0.71 113.55 113.91 1wyl h SER 103 Ca 0.43 0.19 0.01 0.00 -1.23 0.00 0.00 61.79 61.19 1wyl h SER 103 Cb 0.72 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1wyl h SER 103 CO -0.48 -0.27 0.19 0.45 -0.53 0.00 0.00 176.83 176.20 1wyl h HIS 104 N 0.11 0.35 -0.09 2.24 3.86 -0.91 0.37 115.15 121.08 1wyl h HIS 104 Ca 0.82 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 60.07 1wyl h HIS 104 Cb 2.27 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 30.58 1wyl h HIS 104 CO -0.01 0.22 -0.14 0.74 0.86 0.00 0.00 177.93 179.60 1wyl h PHE 105 N 0.38 -0.36 0.53 2.45 -1.00 0.35 -2.29 116.94 116.99 1wyl h PHE 105 Ca 0.11 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 1wyl h PHE 105 Cb -0.03 0.18 0.01 0.00 3.61 0.00 0.00 35.95 39.71 1wyl h PHE 105 CO -0.06 -0.21 -0.25 1.25 -1.61 0.00 0.00 178.31 177.43 1wyl h HIS 106 N -0.19 -0.66 -1.44 -0.55 2.76 -1.30 0.61 115.15 114.38 1wyl h HIS 106 Ca 0.08 -0.02 0.42 0.00 -2.20 0.00 0.00 60.37 58.65 1wyl h HIS 106 Cb 0.31 0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.42 1wyl h HIS 106 CO -0.24 -0.41 1.20 0.43 -1.30 0.00 0.00 177.93 177.61 1wyl n SER 107 N -4.69 0.00 -0.12 3.26 7.64 0.13 0.17 113.62 120.01 1wyl n SER 107 Ca -0.09 0.80 -0.14 0.00 1.01 0.00 0.00 58.87 60.45 1wyl n SER 107 Cb 0.28 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.56 1.47 -1.87 -0.43 0.00 -0.86 -4.50 120.51 111.76 1wyl n ALA 108 Ca 0.32 -1.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.25 1wyl n ALA 108 Cb 1.63 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 20.99 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 -3.04 3.08 -4.20 0.00 3.01 0.46 -5.00 117.46 111.77 1wyl n PHE 109 Ca -0.40 -2.67 -0.24 0.00 1.01 0.00 0.00 57.45 55.15 1wyl n PHE 109 Cb 1.06 -0.83 -0.07 0.00 -0.01 0.00 0.00 39.48 39.63 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 -3.76 2.23 -1.73 -1.08 -2.85 0.25 -4.66 119.74 108.15 1wyl s LYS 110 Ca 0.55 -1.67 -0.19 0.00 -1.00 0.00 0.00 55.97 53.67 1wyl s LYS 110 Cb 0.45 -2.05 0.17 0.00 -2.06 0.00 0.00 37.83 34.33 1wyl s LYS 110 CO -0.11 0.10 0.72 0.43 0.10 0.00 0.00 175.35 176.58 1wyl n SER 111 N -1.08 -2.79 -1.51 0.03 7.64 -1.26 -4.93 113.62 109.73 1wyl n SER 111 Ca -0.03 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1wyl n SER 111 Cb 0.62 -2.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 1wyl n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyl n GLY 112 N -1.38 0.69 0.00 0.23 0.00 -1.26 -4.93 105.19 98.54 1wyl n GLY 112 Ca 0.06 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 0.26 -2.39 1.61 -0.04 -1.26 -4.48 135.00 128.70 1wyl n PRO 113 Ca 0.00 0.12 -0.37 0.00 -0.04 0.00 0.00 63.50 63.21 1wyl n PRO 113 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.47 6.15 -0.16 3.54 0.15 -1.26 -4.91 113.70 114.73 1wyl s SER 114 Ca 0.16 -1.99 0.01 0.00 0.70 0.00 0.00 55.95 54.83 1wyl s SER 114 Cb 0.10 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1wyl s SER 114 CO 0.22 -1.88 -0.18 -0.94 1.20 0.00 0.00 173.24 171.66 1wyl s SER 115 N 5.23 2.94 0.00 5.45 1.04 -1.26 -5.00 113.70 122.10 1wyl s SER 115 Ca 0.58 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wyl s SER 115 Cb 0.01 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1wyl s SER 115 CO 0.07 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.89