#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyq s SER 2 N 0.00 5.27 -0.06 1.61 0.01 -1.26 -5.07 113.70 114.21 1wyq s SER 2 Ca 0.00 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.56 1wyq s SER 2 Cb 0.00 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1wyq s SER 2 CO 0.00 -0.92 -0.06 -1.54 0.41 0.00 0.00 173.24 171.13 1wyq n SER 3 N -1.88 2.50 0.00 2.44 3.41 -1.26 -5.05 113.62 113.78 1wyq n SER 3 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1wyq n SER 3 Cb 0.61 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1wyq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 4 N 3.01 -0.94 3.56 5.00 0.00 -1.26 -5.17 105.19 109.39 1wyq n GLY 4 Ca -0.11 0.91 -0.28 0.00 0.00 0.00 0.00 46.02 46.54 1wyq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyq s SER 5 N 0.00 4.26 -0.28 1.61 0.01 -1.26 -5.05 113.70 112.99 1wyq s SER 5 Ca 0.00 -0.52 0.18 0.00 1.31 0.00 0.00 55.95 56.92 1wyq s SER 5 Cb 0.00 -0.74 0.49 0.00 0.21 0.00 0.00 66.02 65.98 1wyq s SER 5 CO 0.00 0.13 1.11 -1.54 0.41 0.00 0.00 173.24 173.35 1wyq n SER 6 N 0.32 2.46 0.01 2.44 3.41 -1.26 -4.86 113.62 116.14 1wyq n SER 6 Ca -0.12 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1wyq n SER 6 Cb 0.54 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1wyq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 7 N -0.55 -0.02 2.25 5.00 0.00 -1.26 -5.09 105.19 105.52 1wyq n GLY 7 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq n ALA 8 N -2.97 -2.46 -2.15 4.61 0.00 -1.26 -5.00 120.51 111.27 1wyq n ALA 8 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 53.44 52.38 1wyq n ALA 8 Cb 0.31 -0.08 0.09 0.00 0.00 0.00 0.00 19.45 19.78 1wyq n ALA 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wyq n LYS 9 N -3.83 1.48 -0.06 0.00 -0.00 -1.26 -4.82 118.16 109.66 1wyq n LYS 9 Ca 0.10 -3.09 -0.14 0.00 -0.00 0.00 0.00 58.31 55.18 1wyq n LYS 9 Cb 0.39 -1.23 -0.06 0.00 -0.00 0.00 0.00 35.03 34.12 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1wyq h ASP 10 N 1.47 0.63 -0.49 -5.58 3.32 -2.00 -2.68 116.42 111.10 1wyq h ASP 10 Ca -0.03 -0.54 0.06 0.00 0.02 0.00 0.00 57.03 56.54 1wyq h ASP 10 Cb 1.42 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1wyq h ASP 10 CO 0.20 1.05 0.20 0.00 -1.72 0.00 0.00 179.24 178.97 1wyq h ALA 11 N 0.60 0.60 -0.25 3.45 0.00 -1.99 -2.12 119.26 119.55 1wyq h ALA 11 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wyq h ALA 11 Cb 0.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1wyq h ALA 11 CO 0.08 -0.18 0.13 1.25 0.00 0.00 0.00 179.25 180.53 1wyq h LEU 12 N 0.40 0.32 -0.48 0.00 5.85 -1.92 -2.56 115.31 116.92 1wyq h LEU 12 Ca 0.22 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1wyq h LEU 12 Cb 0.20 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1wyq h LEU 12 CO -0.20 0.33 -0.08 0.25 -0.34 0.00 0.00 178.44 178.40 1wyq h LEU 13 N 0.29 -0.37 -0.80 2.25 5.85 -1.09 -0.65 115.31 120.79 1wyq h LEU 13 Ca 0.09 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1wyq h LEU 13 Cb 0.09 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1wyq h LEU 13 CO -0.01 -0.13 0.49 0.25 -0.34 0.00 0.00 178.44 178.70 1wyq h LEU 14 N 0.03 0.78 0.19 2.25 5.85 -1.22 -2.16 115.31 121.03 1wyq h LEU 14 Ca 0.23 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1wyq h LEU 14 Cb 0.36 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1wyq h LEU 14 CO -0.46 0.51 -0.53 -0.25 -0.34 0.00 0.00 178.44 177.37 1wyq h TRP 15 N 0.92 -1.53 -0.51 1.25 7.01 -0.71 0.13 115.95 122.51 1wyq h TRP 15 Ca 0.34 0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.46 1wyq h TRP 15 Cb 0.12 0.64 -0.07 0.00 -2.10 0.00 0.00 29.16 27.75 1wyq h TRP 15 CO -0.04 -0.62 0.10 0.00 -2.79 0.00 0.00 178.44 175.10 1wyq h GLN 17 N 0.24 0.67 -0.11 0.00 4.20 -0.86 0.21 115.11 119.46 1wyq h GLN 17 Ca 0.26 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1wyq h GLN 17 Cb 0.35 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1wyq h GLN 17 CO -0.34 0.44 -0.04 0.52 -0.67 0.00 0.00 178.83 178.75 1wyq h MET 18 N 0.69 0.23 0.48 1.46 2.86 0.11 -2.33 114.93 118.42 1wyq h MET 18 Ca 0.28 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1wyq h MET 18 Cb 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1wyq h MET 18 CO -0.09 0.55 -0.23 0.87 1.06 0.00 0.00 176.91 179.07 1wyq h LYS 19 N -0.11 -0.62 -0.59 1.72 1.79 -0.71 -2.97 116.57 115.09 1wyq h LYS 19 Ca 0.03 0.04 0.17 0.00 -2.18 0.00 0.00 60.65 58.71 1wyq h LYS 19 Cb 0.47 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1wyq h LYS 19 CO 0.01 -0.31 0.59 1.79 -1.08 0.00 0.00 179.45 180.45 1wyq h THR 20 N -0.98 0.35 -0.80 -0.16 1.35 -0.69 -3.43 112.91 108.54 1wyq h THR 20 Ca -0.07 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.17 1wyq h THR 20 Cb 0.59 0.54 0.04 0.00 -1.73 0.00 0.00 68.15 67.59 1wyq h THR 20 CO 0.11 0.00 0.02 0.00 -0.25 0.00 0.00 175.52 175.39 1wyq n ALA 21 N -2.40 -2.99 0.00 6.62 0.00 -0.87 -2.03 120.51 118.83 1wyq n ALA 21 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1wyq n ALA 21 Cb 0.81 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1wyq n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyq n GLY 22 N 1.23 2.64 3.63 0.00 0.00 -1.26 -5.06 105.19 106.35 1wyq n GLY 22 Ca 0.16 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1wyq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wyq s TYR 23 N -0.46 3.28 0.22 1.61 2.02 -0.86 -4.96 117.35 118.21 1wyq s TYR 23 Ca 0.00 0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 57.41 1wyq s TYR 23 Cb 0.00 -2.75 0.22 0.00 -0.40 0.00 0.00 41.96 39.03 1wyq s TYR 23 CO 0.00 -0.28 1.59 -1.00 -1.57 0.00 0.00 175.55 174.29 1wyq h PRO 24 N 7.91 0.52 -0.33 -1.71 0.13 -1.97 -3.18 132.00 133.37 1wyq h PRO 24 Ca -0.29 -0.27 -0.13 0.00 -0.87 0.00 0.00 66.00 64.44 1wyq h PRO 24 Cb 1.14 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1wyq h PRO 24 CO 0.74 0.86 -0.30 -0.91 -0.23 0.00 0.00 178.00 178.15 1wyq h ASN 25 N 0.42 0.85 -3.26 1.44 2.35 -1.98 -3.43 115.58 111.96 1wyq h ASN 25 Ca 0.03 -0.46 -0.53 0.00 -0.55 0.00 0.00 56.30 54.80 1wyq h ASN 25 Cb 0.93 -0.24 0.03 0.00 0.05 0.00 0.00 38.32 39.09 1wyq h ASN 25 CO 0.08 1.13 0.69 -0.69 -1.65 0.00 0.00 177.43 176.99 1wyq s VAL 26 N -4.41 3.15 -0.20 2.81 1.01 -1.20 -5.01 120.40 116.55 1wyq s VAL 26 Ca -0.12 0.91 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 1wyq s VAL 26 Cb 0.10 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.99 1wyq s VAL 26 CO 0.85 0.12 0.40 0.21 0.00 0.00 0.00 175.10 176.67 1wyq s ASN 27 N 0.58 -0.09 -0.94 3.32 3.84 -1.26 -4.86 114.94 115.53 1wyq s ASN 27 Ca 0.60 0.78 0.00 0.00 0.21 0.00 0.00 52.86 54.45 1wyq s ASN 27 Cb -0.37 1.24 0.32 0.00 -0.55 0.00 0.00 41.25 41.89 1wyq s ASN 27 CO 0.36 -0.25 1.65 0.52 -2.79 0.00 0.00 177.10 176.59 1wyq n VAL 28 N 5.38 5.50 0.04 -5.21 0.31 -1.26 -4.73 118.33 118.36 1wyq n VAL 28 Ca -0.07 -5.91 -0.08 0.00 -0.01 0.00 0.00 64.34 58.27 1wyq n VAL 28 Cb 0.50 -1.52 0.07 0.00 -0.91 0.00 0.00 33.84 31.97 1wyq n VAL 28 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1wyq h HIS 29 N 3.97 0.53 -4.59 3.52 3.86 -1.97 -3.46 115.15 117.00 1wyq h HIS 29 Ca 0.45 -0.21 -0.37 0.00 -1.16 0.00 0.00 60.37 59.08 1wyq h HIS 29 Cb 0.36 -0.09 -0.12 0.00 1.06 0.00 0.00 27.41 28.62 1wyq h HIS 29 CO 1.23 0.92 -0.40 0.54 0.86 0.00 0.00 177.93 181.08 1wyq s ASN 30 N -6.93 1.23 -0.36 2.45 6.03 -1.26 -5.05 114.94 111.05 1wyq s ASN 30 Ca -0.06 -1.61 0.07 0.00 -1.03 0.00 0.00 52.86 50.23 1wyq s ASN 30 Cb 0.11 0.57 0.60 0.00 -3.03 0.00 0.00 41.25 39.51 1wyq s ASN 30 CO 0.83 -1.11 1.69 0.49 -2.03 0.00 0.00 177.10 176.96 1wyq n PHE 31 N -0.56 2.06 0.00 1.54 3.72 -1.26 -4.31 117.46 118.66 1wyq n PHE 31 Ca 0.05 -1.62 0.00 0.00 -0.05 0.00 0.00 57.45 55.82 1wyq n PHE 31 Cb 0.62 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1wyq n PHE 31 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wyq n THR 32 N -0.99 0.00 0.25 4.37 -2.24 -1.26 -3.90 114.28 110.51 1wyq n THR 32 Ca 0.45 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.18 1wyq n THR 32 Cb 1.34 -0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1wyq n THR 32 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wyq n THR 33 N -1.92 1.65 0.00 4.28 -2.24 -1.26 -3.41 114.28 111.38 1wyq n THR 33 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1wyq n THR 33 Cb 0.00 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1wyq n THR 33 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wyq n SER 34 N 0.43 4.87 -0.65 3.42 2.88 -1.26 -4.69 113.62 118.62 1wyq n SER 34 Ca 0.11 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.71 1wyq n SER 34 Cb 0.67 0.48 0.15 0.00 -0.75 0.00 0.00 64.21 64.76 1wyq n SER 34 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1wyq n TRP 35 N -1.97 0.42 0.13 0.66 7.02 -1.22 -4.19 117.44 118.29 1wyq n TRP 35 Ca 0.00 -0.43 -0.14 0.00 -1.02 0.00 0.00 57.50 55.92 1wyq n TRP 35 Cb 0.49 -0.02 -0.08 0.00 -2.42 0.00 0.00 31.31 29.28 1wyq n TRP 35 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1wyq h ARG 36 N 2.17 -0.27 0.16 -0.99 2.43 -1.84 -3.25 114.38 112.80 1wyq h ARG 36 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1wyq h ARG 36 Cb 0.71 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1wyq h ARG 36 CO 0.00 -0.08 -0.08 0.38 -1.51 0.00 0.00 179.97 178.68 1wyq h ASP 37 N -0.40 -0.18 0.00 -3.80 2.03 -1.90 -3.39 116.42 108.78 1wyq h ASP 37 Ca -0.03 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1wyq h ASP 37 Cb 0.31 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1wyq h ASP 37 CO 0.05 0.16 0.00 0.61 -1.03 0.00 0.00 179.24 179.02 1wyq n GLY 38 N -0.30 2.31 0.34 7.15 0.00 -1.23 -4.14 105.19 109.32 1wyq n GLY 38 Ca -0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 1wyq n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyq n LEU 39 N 0.00 -0.74 -0.28 0.99 4.77 -1.26 0.11 117.00 120.60 1wyq n LEU 39 Ca 0.00 1.46 0.00 0.00 -0.03 0.00 0.00 56.01 57.45 1wyq n LEU 39 Cb 0.00 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1wyq n LEU 39 CO 0.00 -1.24 0.44 0.00 -1.33 0.00 0.00 177.39 175.26 1wyq n ALA 40 N -3.45 -0.03 -0.21 -1.18 0.00 -1.26 0.19 120.51 114.57 1wyq n ALA 40 Ca 0.04 0.74 -0.09 0.00 0.00 0.00 0.00 53.44 54.14 1wyq n ALA 40 Cb 0.26 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.37 1wyq n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wyq h PHE 41 N 0.00 1.10 0.00 0.00 0.04 -0.66 -1.94 116.94 115.48 1wyq h PHE 41 Ca 0.28 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1wyq h PHE 41 Cb 0.46 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1wyq h PHE 41 CO -0.62 0.97 0.00 0.09 -0.60 0.00 0.00 178.31 178.15 1wyq n ASN 42 N -4.24 0.00 -0.12 2.17 3.02 0.50 -3.03 115.26 113.56 1wyq n ASN 42 Ca 0.03 -0.98 -0.19 0.00 -0.03 0.00 0.00 54.58 53.41 1wyq n ASN 42 Cb 0.32 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.37 1wyq n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyq n ALA 43 N -0.85 1.40 0.11 5.41 0.00 0.13 -3.71 120.51 123.00 1wyq n ALA 43 Ca 0.13 -1.09 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 1wyq n ALA 43 Cb 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 1wyq n ALA 43 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wyq h ILE 44 N -0.05 0.88 0.71 0.00 2.04 -1.42 -2.81 117.51 116.86 1wyq h ILE 44 Ca -0.58 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1wyq h ILE 44 Cb 1.89 0.98 0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1wyq h ILE 44 CO -0.10 0.04 -0.34 0.58 0.00 0.00 0.00 178.15 178.33 1wyq h VAL 45 N -0.28 0.10 -0.80 1.67 2.07 -1.80 -3.08 116.25 114.12 1wyq h VAL 45 Ca -0.02 -0.27 0.28 0.00 0.82 0.00 0.00 66.70 67.51 1wyq h VAL 45 Cb 0.22 0.13 -0.15 0.00 -1.52 0.00 0.00 31.29 29.97 1wyq h VAL 45 CO 0.03 0.01 0.23 1.57 0.02 0.00 0.00 177.57 179.43 1wyq n HIS 46 N -5.42 0.73 -0.13 1.57 -0.00 -1.24 0.20 115.22 110.94 1wyq n HIS 46 Ca -0.12 0.96 -0.07 0.00 -0.00 0.00 0.00 57.72 58.48 1wyq n HIS 46 Cb 0.39 -1.24 0.01 0.00 -0.00 0.00 0.00 29.99 29.15 1wyq n HIS 46 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1wyq h LYS 47 N 0.00 0.48 0.11 1.57 1.63 -1.41 -0.93 116.57 118.02 1wyq h LYS 47 Ca 0.59 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.35 1wyq h LYS 47 Cb 1.41 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1wyq h LYS 47 CO -0.69 0.32 -0.05 0.45 -3.45 0.00 0.00 179.45 176.03 1wyq h HIS 48 N 0.49 -0.13 -3.16 1.91 3.86 0.23 -3.41 115.15 114.95 1wyq h HIS 48 Ca 0.16 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.74 1wyq h HIS 48 Cb -0.01 0.04 -0.41 0.00 1.06 0.00 0.00 27.41 28.09 1wyq h HIS 48 CO -0.07 0.31 -0.65 1.03 0.86 0.00 0.00 177.93 179.42 1wyq s ARG 49 N -2.77 1.97 0.00 2.45 1.81 0.14 -4.93 118.95 117.62 1wyq s ARG 49 Ca -0.11 -2.74 0.11 0.00 -1.72 0.00 0.00 55.73 51.27 1wyq s ARG 49 Cb -0.00 -3.08 0.63 0.00 -0.45 0.00 0.00 34.95 32.04 1wyq s ARG 49 CO 0.40 -1.19 1.06 -0.35 -0.68 0.00 0.00 175.30 174.55 1wyq n PRO 50 N 2.78 0.49 -0.06 3.54 -0.04 -0.36 -2.76 135.00 138.59 1wyq n PRO 50 Ca 0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1wyq n PRO 50 Cb 0.34 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 1wyq n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wyq n ASP 51 N -0.84 2.02 -0.09 3.54 2.03 -1.26 -4.47 116.55 117.48 1wyq n ASP 51 Ca 0.08 0.23 -0.14 0.00 0.52 0.00 0.00 54.79 55.48 1wyq n ASP 51 Cb 0.04 -0.83 -0.10 0.00 -0.72 0.00 0.00 41.12 39.51 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wyq h LEU 52 N -0.34 -1.74 -8.80 -2.67 3.38 -1.92 -3.42 115.31 99.80 1wyq h LEU 52 Ca -0.45 0.22 -0.59 0.00 0.09 0.00 0.00 57.88 57.15 1wyq h LEU 52 Cb 1.78 0.70 -0.20 0.00 0.09 0.00 0.00 40.66 43.02 1wyq h LEU 52 CO -0.07 -0.41 -0.82 -1.48 0.09 0.00 0.00 178.44 175.75 1wyq s LEU 53 N -10.08 2.36 -1.02 1.67 2.34 -1.26 -5.09 118.68 107.60 1wyq s LEU 53 Ca -0.14 -0.77 -0.06 0.00 0.06 0.00 0.00 54.13 53.22 1wyq s LEU 53 Cb 0.08 -0.97 0.25 0.00 -0.56 0.00 0.00 46.19 44.99 1wyq s LEU 53 CO 0.58 0.06 0.97 -1.81 -1.06 0.00 0.00 176.35 175.09 1wyq s ASP 54 N -2.23 6.76 0.33 1.48 1.01 -1.26 -4.74 116.67 118.03 1wyq s ASP 54 Ca 0.12 -3.63 0.12 0.00 0.71 0.00 0.00 52.55 49.88 1wyq s ASP 54 Cb -0.09 -2.09 1.05 0.00 1.01 0.00 0.00 42.92 42.81 1wyq s ASP 54 CO 0.06 -0.25 1.62 0.15 0.21 0.00 0.00 175.17 176.96 1wyq h PHE 55 N 6.42 0.66 -0.90 4.23 3.57 -1.90 1.03 116.94 130.06 1wyq h PHE 55 Ca 0.17 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.80 1wyq h PHE 55 Cb 0.85 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1wyq h PHE 55 CO 0.75 -0.30 0.58 0.93 -2.23 0.00 0.00 178.31 178.03 1wyq h GLU 56 N 0.17 0.89 -0.12 1.11 5.08 -1.98 -2.12 114.58 117.60 1wyq h GLU 56 Ca 0.71 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.86 1wyq h GLU 56 Cb 1.67 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.73 1wyq h GLU 56 CO -0.71 0.59 -0.57 0.77 -1.00 0.00 0.00 179.01 178.10 1wyq h SER 57 N 0.91 0.71 -3.80 1.42 0.02 0.66 -3.45 113.55 110.01 1wyq h SER 57 Ca 0.41 -0.63 -0.56 0.00 -0.84 0.00 0.00 61.79 60.16 1wyq h SER 57 Cb 0.38 -0.21 0.15 0.00 0.14 0.00 0.00 62.40 62.86 1wyq h SER 57 CO -0.17 1.23 0.37 0.18 -1.14 0.00 0.00 176.83 177.30 1wyq n LEU 58 N -4.16 4.75 -4.13 5.07 4.77 -0.69 -5.02 117.00 117.60 1wyq n LEU 58 Ca -0.08 0.89 -0.27 0.00 -0.03 0.00 0.00 56.01 56.52 1wyq n LEU 58 Cb 0.63 -1.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.07 1wyq n LEU 58 CO 0.48 -1.21 -0.51 -0.75 -1.33 0.00 0.00 177.39 174.07 1wyq s LYS 59 N -2.88 2.07 0.40 3.23 2.47 -1.26 -4.95 119.74 118.81 1wyq s LYS 59 Ca 0.75 -0.63 0.26 0.00 -1.56 0.00 0.00 55.97 54.79 1wyq s LYS 59 Cb -0.42 -1.71 1.40 0.00 -1.46 0.00 0.00 37.83 35.65 1wyq s LYS 59 CO 0.47 0.19 1.55 0.36 0.16 0.00 0.00 175.35 178.08 1wyq n LYS 60 N 3.38 -0.05 -0.12 4.03 2.85 -1.26 -0.20 118.16 126.79 1wyq n LYS 60 Ca -0.19 1.30 -0.11 0.00 -1.05 0.00 0.00 58.31 58.26 1wyq n LYS 60 Cb 0.53 -2.45 -0.05 0.00 -0.65 0.00 0.00 35.03 32.41 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wyq s ASN 62 N -5.04 6.46 0.01 0.00 0.02 0.72 -4.86 114.94 112.25 1wyq s ASN 62 Ca -0.15 2.67 -0.06 0.00 -1.02 0.00 0.00 52.86 54.30 1wyq s ASN 62 Cb 0.11 -2.54 -0.02 0.00 0.02 0.00 0.00 41.25 38.82 1wyq s ASN 62 CO 0.65 -1.04 -0.11 0.00 0.02 0.00 0.00 177.10 176.62 1wyq n ALA 63 N 7.11 2.33 -0.15 0.60 0.00 -1.26 -4.31 120.51 124.83 1wyq n ALA 63 Ca 0.19 -0.26 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1wyq n ALA 63 Cb 0.41 0.18 0.01 0.00 0.00 0.00 0.00 19.45 20.05 1wyq n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyq h HIS 64 N -0.32 0.59 -0.09 0.00 -0.00 -1.82 0.14 115.15 113.66 1wyq h HIS 64 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1wyq h HIS 64 Cb 0.33 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1wyq h HIS 64 CO -0.13 0.41 0.03 -0.92 -0.00 0.00 0.00 177.93 177.32 1wyq h TYR 65 N 0.60 0.14 -0.78 5.26 3.20 -1.91 -1.63 116.97 121.84 1wyq h TYR 65 Ca 0.16 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1wyq h TYR 65 Cb -0.02 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1wyq h TYR 65 CO -0.03 0.26 0.42 -0.91 -1.64 0.00 0.00 178.16 176.25 1wyq h ASN 66 N -0.02 0.98 0.02 -2.11 2.35 -1.71 -1.12 115.58 113.96 1wyq h ASN 66 Ca 0.03 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1wyq h ASN 66 Cb 0.18 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1wyq h ASN 66 CO -0.00 0.80 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.50 1wyq h LEU 67 N 1.08 -0.02 -0.98 1.61 3.38 -0.57 -2.73 115.31 117.08 1wyq h LEU 67 Ca 0.27 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.51 1wyq h LEU 67 Cb 0.04 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.66 1wyq h LEU 67 CO -0.04 -0.01 0.53 0.06 0.09 0.00 0.00 178.44 179.06 1wyq h GLN 68 N -0.02 0.42 -0.51 1.13 3.07 -1.35 0.92 115.11 118.77 1wyq h GLN 68 Ca -0.00 -0.03 0.10 0.00 0.09 0.00 0.00 58.65 58.81 1wyq h GLN 68 Cb 0.02 -0.09 -0.09 0.00 0.08 0.00 0.00 27.48 27.39 1wyq h GLN 68 CO 0.00 0.28 -0.09 -0.97 0.09 0.00 0.00 178.83 178.14 1wyq h ASN 69 N 0.43 -0.40 -0.44 0.06 -1.24 -1.12 0.14 115.58 113.01 1wyq h ASN 69 Ca 0.66 0.14 -0.13 0.00 0.71 0.00 0.00 56.30 57.68 1wyq h ASN 69 Cb 1.35 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 40.68 1wyq h ASN 69 CO -0.55 -0.15 -0.24 0.00 -1.29 0.00 0.00 177.43 175.21 1wyq h ALA 70 N 1.49 0.70 -0.30 1.57 0.00 -0.54 0.31 119.26 122.50 1wyq h ALA 70 Ca 0.25 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1wyq h ALA 70 Cb 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1wyq h ALA 70 CO -0.50 0.67 0.14 0.74 0.00 0.00 0.00 179.25 180.31 1wyq h PHE 71 N 0.82 0.27 0.01 0.00 0.04 -0.33 0.72 116.94 118.46 1wyq h PHE 71 Ca 0.10 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 1wyq h PHE 71 Cb 0.82 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1wyq h PHE 71 CO 0.05 0.14 -0.00 -0.91 -0.60 0.00 0.00 178.31 176.99 1wyq h ASN 72 N 0.30 -0.01 -0.28 2.17 2.35 -0.75 0.12 115.58 119.48 1wyq h ASN 72 Ca 0.13 -0.62 0.07 0.00 -0.55 0.00 0.00 56.30 55.32 1wyq h ASN 72 Cb 0.05 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.35 1wyq h ASN 72 CO -0.09 0.63 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.00 1wyq h LEU 73 N -0.66 -0.77 -0.89 1.61 3.38 -0.86 0.97 115.31 118.09 1wyq h LEU 73 Ca -0.00 0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1wyq h LEU 73 Cb 0.64 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1wyq h LEU 73 CO 0.00 -0.27 -0.47 0.00 0.09 0.00 0.00 178.44 177.79 1wyq h ALA 74 N 0.85 1.01 0.00 1.53 0.00 -0.94 0.66 119.26 122.37 1wyq h ALA 74 Ca 0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1wyq h ALA 74 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wyq h ALA 74 CO -0.41 0.58 -0.17 1.49 0.00 0.00 0.00 179.25 180.75 1wyq h GLU 75 N 0.00 0.00 0.00 0.00 4.22 0.59 0.90 114.58 120.29 1wyq h GLU 75 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1wyq h GLU 75 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1wyq h GLU 75 CO 0.06 0.17 -0.83 1.17 -2.18 0.00 0.00 179.01 177.40 1wyq n LYS 76 N -3.17 0.42 0.14 1.92 4.81 0.32 -3.72 118.16 118.88 1wyq n LYS 76 Ca 0.03 0.17 -0.07 0.00 -0.87 0.00 0.00 58.31 57.57 1wyq n LYS 76 Cb 0.55 -1.24 -0.03 0.00 0.02 0.00 0.00 35.03 34.33 1wyq n LYS 76 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wyq h GLU 77 N -0.79 -0.38 -0.13 1.64 4.39 0.17 -3.27 114.58 116.20 1wyq h GLU 77 Ca -0.01 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1wyq h GLU 77 Cb 0.81 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1wyq h GLU 77 CO -0.01 -0.25 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.46 1wyq h LEU 78 N -0.40 0.27 0.00 1.33 3.38 -1.59 -3.48 115.31 114.82 1wyq h LEU 78 Ca -0.03 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1wyq h LEU 78 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wyq h LEU 78 CO 0.02 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1wyq n GLY 79 N 0.00 1.29 4.00 0.83 0.00 0.21 -5.01 105.19 106.51 1wyq n GLY 79 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1wyq n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyq s LEU 80 N 0.00 3.57 -0.30 0.99 1.43 -0.58 -4.95 118.68 118.84 1wyq s LEU 80 Ca 0.00 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1wyq s LEU 80 Cb 0.00 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1wyq s LEU 80 CO 0.00 -0.85 0.06 -0.89 0.23 0.00 0.00 176.35 174.91 1wyq s THR 81 N -2.44 3.76 -1.04 5.49 2.01 -1.26 -4.14 115.64 118.02 1wyq s THR 81 Ca 0.56 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 1wyq s THR 81 Cb -0.10 -2.97 -0.22 0.00 0.01 0.00 0.00 72.50 69.22 1wyq s THR 81 CO 0.34 0.05 2.17 -1.59 -0.69 0.00 0.00 174.62 174.89 1wyq s LYS 82 N 1.45 1.20 0.44 4.92 -2.85 -1.26 -4.71 119.74 118.94 1wyq s LYS 82 Ca 0.01 -0.28 0.19 0.00 -1.00 0.00 0.00 55.97 54.89 1wyq s LYS 82 Cb -0.18 -4.95 1.14 0.00 -2.06 0.00 0.00 37.83 31.79 1wyq s LYS 82 CO 0.01 -5.40 1.88 -0.07 0.10 0.00 0.00 175.35 171.88 1wyq h LEU 83 N 22.52 0.34 0.00 2.77 3.38 -1.95 -3.42 115.31 138.95 1wyq h LEU 83 Ca 0.01 0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.59 1wyq h LEU 83 Cb 1.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1wyq h LEU 83 CO 1.01 0.14 -0.17 0.18 0.09 0.00 0.00 178.44 179.69 1wyq n LEU 84 N -4.47 0.00 -4.27 1.67 4.77 -1.26 -5.14 117.00 108.30 1wyq n LEU 84 Ca 0.18 -2.08 -0.20 0.00 -0.03 0.00 0.00 56.01 53.88 1wyq n LEU 84 Cb 0.69 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1wyq n LEU 84 CO 0.32 -0.54 -0.46 -1.81 -1.33 0.00 0.00 177.39 173.57 1wyq s ASP 85 N -3.48 2.23 0.00 -1.43 1.01 -1.26 -5.02 116.67 108.72 1wyq s ASP 85 Ca 0.28 -0.81 0.16 0.00 0.71 0.00 0.00 52.55 52.89 1wyq s ASP 85 Cb -0.02 -0.10 0.91 0.00 1.01 0.00 0.00 42.92 44.72 1wyq s ASP 85 CO 0.18 -0.10 1.36 -0.81 0.21 0.00 0.00 175.17 176.01 1wyq n PRO 86 N 0.53 0.45 -0.05 8.23 -0.04 -1.26 -2.15 135.00 140.71 1wyq n PRO 86 Ca -0.15 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.24 1wyq n PRO 86 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1wyq n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wyq n GLU 87 N -1.04 0.26 -0.04 0.54 1.02 -1.26 -4.28 120.64 115.83 1wyq n GLU 87 Ca 0.11 0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 1wyq n GLU 87 Cb 0.06 -1.14 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wyq h ASP 88 N -0.10 0.24 -0.24 1.62 3.32 -1.95 -3.21 116.42 116.11 1wyq h ASP 88 Ca -0.25 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 1wyq h ASP 88 Cb 1.34 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1wyq h ASP 88 CO -0.07 0.52 0.13 0.58 -1.72 0.00 0.00 179.24 178.67 1wyq h VAL 89 N -0.03 1.12 -0.96 -1.35 2.07 -1.72 -3.39 116.25 111.99 1wyq h VAL 89 Ca 0.04 -0.33 -0.23 0.00 0.82 0.00 0.00 66.70 67.00 1wyq h VAL 89 Cb 0.40 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1wyq h VAL 89 CO 0.01 0.12 0.80 -3.20 0.02 0.00 0.00 177.57 175.32 1wyq n ASN 90 N -4.85 2.06 -3.43 0.57 2.85 -1.21 -4.59 115.26 106.65 1wyq n ASN 90 Ca -0.03 -1.02 -0.12 0.00 -0.11 0.00 0.00 54.58 53.30 1wyq n ASN 90 Cb 0.08 -1.63 -0.02 0.00 1.24 0.00 0.00 39.78 39.45 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wyq s VAL 91 N 13.63 0.00 0.16 3.44 0.11 -1.26 -4.91 120.40 131.57 1wyq s VAL 91 Ca 0.96 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.75 1wyq s VAL 91 Cb -0.15 -1.03 0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1wyq s VAL 91 CO 0.17 0.00 1.61 0.44 -3.33 0.00 0.00 175.10 173.99 1wyq h ASP 92 N 2.00 -0.93 -2.83 3.54 3.32 -1.97 -3.34 116.42 116.21 1wyq h ASP 92 Ca -0.33 0.17 -0.60 0.00 0.02 0.00 0.00 57.03 56.29 1wyq h ASP 92 Cb 1.31 0.44 -0.39 0.00 0.22 0.00 0.00 39.33 40.90 1wyq h ASP 92 CO 0.37 -0.31 -0.83 -1.10 -1.72 0.00 0.00 179.24 175.66 1wyq s GLN 93 N -6.04 1.11 1.13 3.56 -1.52 -1.26 -4.72 119.66 111.93 1wyq s GLN 93 Ca -0.15 -2.03 -0.17 0.00 -1.95 0.00 0.00 55.36 51.06 1wyq s GLN 93 Cb 0.13 -1.89 0.25 0.00 -0.22 0.00 0.00 33.01 31.28 1wyq s GLN 93 CO 0.68 -1.27 1.10 -1.25 -0.25 0.00 0.00 175.29 174.31 1wyq s PRO 94 N 0.21 -0.67 -0.88 2.91 0.04 -1.26 -4.94 135.00 130.42 1wyq s PRO 94 Ca 0.24 0.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.19 1wyq s PRO 94 Cb -0.12 -1.64 0.08 0.00 0.04 0.00 0.00 34.50 32.86 1wyq s PRO 94 CO -0.08 -3.38 1.21 -0.51 0.04 0.00 0.00 177.00 174.27 1wyq s ASP 95 N -3.74 6.45 0.33 6.66 1.11 -1.26 -4.87 116.67 121.34 1wyq s ASP 95 Ca 0.69 -1.48 0.11 0.00 0.18 0.00 0.00 52.55 52.05 1wyq s ASP 95 Cb -0.13 -2.47 0.97 0.00 1.07 0.00 0.00 42.92 42.36 1wyq s ASP 95 CO 0.57 -1.36 1.70 1.05 1.18 0.00 0.00 175.17 178.31 1wyq h GLU 96 N 9.40 0.44 -0.00 8.23 4.11 -1.93 0.99 114.58 135.83 1wyq h GLU 96 Ca 0.03 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1wyq h GLU 96 Cb 1.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1wyq h GLU 96 CO 1.24 0.29 -0.20 0.87 0.07 0.00 0.00 179.01 181.28 1wyq h LYS 97 N 0.45 0.00 0.00 1.06 1.79 -1.89 0.24 116.57 118.23 1wyq h LYS 97 Ca 0.68 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 1wyq h LYS 97 Cb 1.42 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1wyq h LYS 97 CO -0.54 0.20 -0.01 0.45 -1.08 0.00 0.00 179.45 178.47 1wyq n SER 98 N -4.30 0.73 -0.11 0.86 2.88 0.34 -3.59 113.62 110.43 1wyq n SER 98 Ca -0.02 0.56 -0.18 0.00 -1.33 0.00 0.00 58.87 57.89 1wyq n SER 98 Cb 0.26 -0.75 -0.06 0.00 -0.75 0.00 0.00 64.21 62.91 1wyq n SER 98 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1wyq n ILE 99 N -2.18 1.51 -0.43 2.46 5.41 -0.51 -3.92 119.36 121.71 1wyq n ILE 99 Ca 0.06 -0.09 0.35 0.00 1.00 0.00 0.00 62.75 64.07 1wyq n ILE 99 Cb 0.42 -2.14 0.63 0.00 -0.71 0.00 0.00 39.64 37.84 1wyq n ILE 99 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1wyq h ILE 100 N -1.00 0.18 -0.06 1.39 2.04 -0.72 0.90 117.51 120.25 1wyq h ILE 100 Ca -0.31 -0.04 -0.25 0.00 1.00 0.00 0.00 64.86 65.26 1wyq h ILE 100 Cb 1.26 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1wyq h ILE 100 CO -0.19 0.02 -0.94 0.74 0.00 0.00 0.00 178.15 177.78 1wyq h THR 101 N 0.13 1.29 0.10 -0.27 2.02 -1.77 -2.48 112.91 111.91 1wyq h THR 101 Ca 0.78 -2.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1wyq h THR 101 Cb 2.44 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 71.08 1wyq h THR 101 CO -0.39 0.67 -0.05 0.22 0.37 0.00 0.00 175.52 176.35 1wyq h TYR 102 N 0.43 -0.12 0.00 3.16 3.20 0.53 -3.09 116.97 121.09 1wyq h TYR 102 Ca -0.10 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 1wyq h TYR 102 Cb 1.58 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.89 1wyq h TYR 102 CO 0.09 0.28 -0.02 -0.24 -1.64 0.00 0.00 178.16 176.63 1wyq h VAL 103 N -0.56 0.97 -0.99 1.81 3.04 -0.71 -2.23 116.25 117.58 1wyq h VAL 103 Ca -0.01 -0.08 0.21 0.00 -1.01 0.00 0.00 66.70 65.81 1wyq h VAL 103 Cb 0.46 1.04 -0.10 0.00 -2.01 0.00 0.00 31.29 30.68 1wyq h VAL 103 CO 0.02 0.02 0.62 0.00 -1.01 0.00 0.00 177.57 177.22 1wyq h ALA 104 N 1.98 1.87 -0.75 3.17 0.00 -1.35 0.18 119.26 124.35 1wyq h ALA 104 Ca -0.00 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1wyq h ALA 104 Cb 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1wyq h ALA 104 CO 0.00 -0.24 0.41 1.79 0.00 0.00 0.00 179.25 181.21 1wyq h THR 105 N 0.63 0.91 -0.84 0.00 1.35 -1.50 -0.43 112.91 113.02 1wyq h THR 105 Ca 0.57 -0.24 0.12 0.00 -0.55 0.00 0.00 66.41 66.31 1wyq h THR 105 Cb 1.08 0.14 -0.06 0.00 -1.73 0.00 0.00 68.15 67.58 1wyq h THR 105 CO -0.34 0.13 0.55 1.88 -0.25 0.00 0.00 175.52 177.48 1wyq h TYR 106 N 0.70 0.78 0.04 4.73 -1.99 -1.11 0.24 116.97 120.37 1wyq h TYR 106 Ca 0.35 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.10 1wyq h TYR 106 Cb 0.31 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1wyq h TYR 106 CO -0.08 0.32 -0.02 -0.92 -0.00 0.00 0.00 178.16 177.46 1wyq h TYR 107 N 0.69 -0.05 0.59 4.88 3.20 -1.17 -3.17 116.97 121.94 1wyq h TYR 107 Ca 0.41 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 1wyq h TYR 107 Cb 0.61 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1wyq h TYR 107 CO -0.00 0.59 -0.47 0.45 -1.64 0.00 0.00 178.16 177.09 1wyq h HIS 108 N -0.88 -1.28 -0.35 -3.82 3.86 -0.77 0.24 115.15 112.15 1wyq h HIS 108 Ca -0.01 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1wyq h HIS 108 Cb 0.67 0.48 -0.05 0.00 1.06 0.00 0.00 27.41 29.57 1wyq h HIS 108 CO 0.16 -0.66 -0.25 -0.92 0.86 0.00 0.00 177.93 177.12 1wyq h TYR 109 N -1.04 -0.80 -0.87 2.45 3.20 -0.70 0.96 116.97 120.17 1wyq h TYR 109 Ca -0.07 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1wyq h TYR 109 Cb 0.87 0.40 -0.07 0.00 1.54 0.00 0.00 36.73 39.47 1wyq h TYR 109 CO -0.19 -0.18 0.52 0.74 -1.64 0.00 0.00 178.16 177.41 1wyq h PHE 110 N -0.06 0.94 -0.66 -3.82 0.04 -1.52 -2.08 116.94 109.78 1wyq h PHE 110 Ca 0.06 0.03 0.14 0.00 2.80 0.00 0.00 57.97 61.00 1wyq h PHE 110 Cb 0.21 -0.29 -0.11 0.00 2.20 0.00 0.00 35.95 37.95 1wyq h PHE 110 CO -0.87 0.41 0.00 1.03 -0.60 0.00 0.00 178.31 178.28 1wyq h SER 111 N 0.88 -0.30 -0.92 2.17 0.87 0.19 0.46 113.55 116.90 1wyq h SER 111 Ca 0.41 0.17 0.26 0.00 -1.23 0.00 0.00 61.79 61.40 1wyq h SER 111 Cb 0.33 0.29 -0.15 0.00 -0.44 0.00 0.00 62.40 62.43 1wyq h SER 111 CO -0.23 -0.13 0.28 0.11 -0.53 0.00 0.00 176.83 176.32 1wyq h LYS 112 N 0.11 0.18 -7.26 2.24 1.79 -0.43 -3.41 116.57 109.79 1wyq h LYS 112 Ca 0.35 -0.01 -0.49 0.00 -2.18 0.00 0.00 60.65 58.32 1wyq h LYS 112 Cb 0.58 -0.04 0.18 0.00 -1.58 0.00 0.00 32.23 31.37 1wyq h LYS 112 CO -0.57 0.12 0.19 -1.64 -1.08 0.00 0.00 179.45 176.46 1wyq s MET 113 N -5.88 0.75 -0.98 3.15 -1.94 0.15 -3.80 119.30 110.75 1wyq s MET 113 Ca -0.12 1.16 -0.07 0.00 -1.71 0.00 0.00 55.69 54.96 1wyq s MET 113 Cb 0.27 -1.72 0.01 0.00 2.01 0.00 0.00 34.83 35.40 1wyq s MET 113 CO 0.78 -2.69 0.86 1.17 -0.01 0.00 0.00 175.02 175.13 1wyq n LYS 114 N -4.23 -5.79 -4.18 2.03 3.00 -1.26 -5.02 118.16 102.70 1wyq n LYS 114 Ca 0.08 0.60 -0.28 0.00 -0.00 0.00 0.00 58.31 58.71 1wyq n LYS 114 Cb 0.53 -4.95 -0.04 0.00 0.00 0.00 0.00 35.03 30.58 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wyq s ALA 115 N -3.23 4.21 0.29 3.14 0.00 -1.25 -5.03 121.76 119.89 1wyq s ALA 115 Ca 0.43 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1wyq s ALA 115 Cb -0.19 -0.45 0.49 0.00 0.00 0.00 0.00 23.12 22.97 1wyq s ALA 115 CO 0.53 -0.27 1.89 -0.07 0.00 0.00 0.00 175.76 177.83 1wyq h LEU 116 N 1.04 0.96 -7.64 0.00 -0.00 -1.95 -3.41 115.31 104.30 1wyq h LEU 116 Ca -0.40 0.01 -0.32 0.00 -0.00 0.00 0.00 57.88 57.17 1wyq h LEU 116 Cb 1.30 -0.19 -0.33 0.00 -0.00 0.00 0.00 40.66 41.44 1wyq h LEU 116 CO 0.64 0.60 -0.74 0.00 -0.00 0.00 0.00 178.44 178.94 1wyq s ALA 117 N -5.96 0.26 -0.00 1.53 0.00 -1.26 -5.15 121.76 111.18 1wyq s ALA 117 Ca -0.12 0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1wyq s ALA 117 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1wyq s ALA 117 CO 0.81 -0.05 -0.04 0.54 0.00 0.00 0.00 175.76 177.02 1wyq s VAL 118 N 0.78 0.31 1.00 0.00 0.11 -1.26 -5.02 120.40 116.32 1wyq s VAL 118 Ca -0.08 -0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 1wyq s VAL 118 Cb -0.11 -0.27 -0.10 0.00 -1.53 0.00 0.00 36.38 34.37 1wyq s VAL 118 CO -0.02 0.08 -0.64 -0.62 -3.33 0.00 0.00 175.10 170.57 1wyq n GLU 119 N 2.97 -0.17 -2.05 1.54 1.02 -1.26 -4.71 120.64 117.97 1wyq n GLU 119 Ca -0.13 -0.04 -0.38 0.00 -0.02 0.00 0.00 57.16 56.59 1wyq n GLU 119 Cb 0.59 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 1wyq n GLU 119 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1wyq s GLY 120 N -1.27 0.21 -0.29 0.62 0.00 -1.26 -4.90 107.32 100.44 1wyq s GLY 120 Ca 0.44 -0.68 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 1wyq s GLY 120 CO 0.76 3.40 0.77 1.25 0.00 0.00 0.00 173.10 179.28 1wyq s LYS 121 N 7.02 0.59 -0.28 2.90 2.47 -1.26 -5.14 119.74 126.04 1wyq s LYS 121 Ca 0.66 1.11 -0.21 0.00 -1.56 0.00 0.00 55.97 55.98 1wyq s LYS 121 Cb -0.12 0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.51 1wyq s LYS 121 CO 0.20 -0.14 0.66 0.45 0.16 0.00 0.00 175.35 176.68 1wyq s SER 122 N 1.86 6.57 -0.16 1.43 0.15 -1.26 -5.03 113.70 117.26 1wyq s SER 122 Ca -0.09 0.62 -0.05 0.00 0.70 0.00 0.00 55.95 57.14 1wyq s SER 122 Cb -0.06 -2.35 0.06 0.00 -1.71 0.00 0.00 66.02 61.96 1wyq s SER 122 CO -0.19 -0.44 0.08 -0.83 1.20 0.00 0.00 173.24 173.06 1wyq s GLY 123 N 1.54 0.37 0.27 9.45 0.00 -1.26 -5.13 107.32 112.56 1wyq s GLY 123 Ca 0.27 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 1wyq s GLY 123 CO 0.10 1.67 1.25 2.56 0.00 0.00 0.00 173.10 178.68 1wyq s PRO 124 N 2.12 4.44 -0.17 2.90 0.04 -1.26 -5.04 135.00 138.02 1wyq s PRO 124 Ca 0.02 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1wyq s PRO 124 Cb -0.16 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.30 1wyq s PRO 124 CO -0.08 -0.11 0.43 -1.54 0.04 0.00 0.00 177.00 175.74 1wyq s SER 125 N -0.30 -0.54 -0.07 6.66 1.04 -1.26 -5.11 113.70 114.13 1wyq s SER 125 Ca 0.50 0.92 -0.32 0.00 0.48 0.00 0.00 55.95 57.54 1wyq s SER 125 Cb -0.37 0.81 0.12 0.00 0.10 0.00 0.00 66.02 66.69 1wyq s SER 125 CO 0.45 -0.19 1.20 -0.55 0.98 0.00 0.00 173.24 175.13 1wyq s SER 126 N 1.35 -0.12 0.00 7.02 0.15 -1.26 -5.28 113.70 115.56 1wyq s SER 126 Ca -0.09 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1wyq s SER 126 Cb -0.08 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1wyq s SER 126 CO -0.12 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.58