#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyq n SER 2 N 0.00 -2.50 -4.96 1.61 3.41 -1.26 -4.99 113.62 104.93 1wyq n SER 2 Ca 0.00 -0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.25 1wyq n SER 2 Cb 0.00 -0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 63.06 1wyq n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wyq s SER 3 N -1.74 6.18 -0.44 4.04 1.04 -1.26 -4.71 113.70 116.80 1wyq s SER 3 Ca 0.52 0.24 -0.32 0.00 0.48 0.00 0.00 55.95 56.87 1wyq s SER 3 Cb -0.08 -1.80 0.05 0.00 0.10 0.00 0.00 66.02 64.29 1wyq s SER 3 CO 0.64 -0.33 0.65 0.61 0.98 0.00 0.00 173.24 175.79 1wyq n GLY 4 N -1.72 -0.31 3.89 7.32 0.00 -1.26 -5.00 105.19 108.11 1wyq n GLY 4 Ca -0.04 1.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.97 1wyq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyq s SER 5 N -1.84 5.32 -0.30 1.61 1.04 -1.26 -5.13 113.70 113.14 1wyq s SER 5 Ca 0.34 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 1wyq s SER 5 Cb -0.05 -0.85 0.17 0.00 0.10 0.00 0.00 66.02 65.39 1wyq s SER 5 CO 0.84 -0.49 0.89 -0.94 0.98 0.00 0.00 173.24 174.53 1wyq s SER 6 N -4.09 -0.76 0.00 7.02 1.04 -1.26 -5.06 113.70 110.59 1wyq s SER 6 Ca 0.45 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1wyq s SER 6 Cb -0.06 1.78 0.00 0.00 0.10 0.00 0.00 66.02 67.84 1wyq s SER 6 CO 0.28 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1wyq n GLY 7 N 5.22 0.89 1.05 7.32 0.00 -1.26 -5.12 105.19 113.29 1wyq n GLY 7 Ca -0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -1.08 -2.03 4.61 0.00 -1.26 -4.95 120.51 115.80 1wyq n ALA 8 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1wyq n ALA 8 Cb 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.51 2.40 -0.07 0.00 2.85 -1.26 -4.80 118.16 115.78 1wyq n LYS 9 Ca 0.03 -3.62 -0.07 0.00 -1.05 0.00 0.00 58.31 53.60 1wyq n LYS 9 Cb 0.12 -1.78 -0.02 0.00 -0.65 0.00 0.00 35.03 32.70 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1wyq n ASP 10 N -0.72 1.67 -0.28 -5.58 5.68 -1.26 -3.73 116.55 112.33 1wyq n ASP 10 Ca 0.28 0.28 0.09 0.00 -0.50 0.00 0.00 54.79 54.94 1wyq n ASP 10 Cb 0.87 -0.67 0.24 0.00 -1.14 0.00 0.00 41.12 40.43 1wyq n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wyq h ALA 11 N -0.94 1.20 0.24 2.12 0.00 -1.99 -0.74 119.26 119.14 1wyq h ALA 11 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1wyq h ALA 11 Cb 0.79 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wyq h ALA 11 CO 0.00 -0.33 -0.12 1.25 0.00 0.00 0.00 179.25 180.05 1wyq h LEU 12 N 0.34 -0.28 -0.81 0.00 5.85 -1.88 -2.92 115.31 115.62 1wyq h LEU 12 Ca 0.49 -0.25 0.17 0.00 0.84 0.00 0.00 57.88 59.12 1wyq h LEU 12 Cb 0.88 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 41.83 1wyq h LEU 12 CO -0.52 0.18 -0.19 0.25 -0.34 0.00 0.00 178.44 177.83 1wyq h LEU 13 N -0.82 -0.72 -0.34 2.25 5.85 -1.47 0.20 115.31 120.24 1wyq h LEU 13 Ca -0.03 0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1wyq h LEU 13 Cb 0.51 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1wyq h LEU 13 CO 0.05 -0.26 0.13 0.25 -0.34 0.00 0.00 178.44 178.27 1wyq h LEU 14 N 0.01 0.16 0.04 2.25 5.85 -1.21 -1.02 115.31 121.38 1wyq h LEU 14 Ca 0.40 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.16 1wyq h LEU 14 Cb 0.62 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1wyq h LEU 14 CO -0.83 0.13 -0.50 -0.25 -0.34 0.00 0.00 178.44 176.65 1wyq h TRP 15 N 0.29 -1.46 -0.83 1.25 7.01 -0.43 0.03 115.95 121.80 1wyq h TRP 15 Ca 0.15 0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.30 1wyq h TRP 15 Cb 0.11 0.63 -0.08 0.00 -2.10 0.00 0.00 29.16 27.73 1wyq h TRP 15 CO -0.13 -0.54 0.47 0.00 -2.79 0.00 0.00 178.44 175.44 1wyq h GLN 17 N 0.77 0.84 0.07 0.00 4.20 -0.27 0.29 115.11 121.00 1wyq h GLN 17 Ca 0.41 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.07 1wyq h GLN 17 Cb 0.41 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wyq h GLN 17 CO -0.26 0.55 -0.03 0.52 -0.67 0.00 0.00 178.83 178.94 1wyq h MET 18 N 0.86 -0.09 0.78 1.46 2.86 0.19 -0.42 114.93 120.58 1wyq h MET 18 Ca 0.37 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.97 1wyq h MET 18 Cb 0.23 0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1wyq h MET 18 CO -0.20 0.15 -0.38 0.87 1.06 0.00 0.00 176.91 178.41 1wyq h LYS 19 N -0.31 -1.01 -0.87 1.72 1.79 -0.98 -2.87 116.57 114.03 1wyq h LYS 19 Ca -0.01 0.07 0.23 0.00 -2.18 0.00 0.00 60.65 58.76 1wyq h LYS 19 Cb 0.27 0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 1wyq h LYS 19 CO 0.02 -0.67 0.60 1.79 -1.08 0.00 0.00 179.45 180.10 1wyq h THR 20 N -1.14 0.62 -0.86 -0.16 1.35 -0.53 -2.18 112.91 110.02 1wyq h THR 20 Ca -0.11 -0.06 0.19 0.00 -0.55 0.00 0.00 66.41 65.89 1wyq h THR 20 Cb 0.81 0.43 -0.16 0.00 -1.73 0.00 0.00 68.15 67.50 1wyq h THR 20 CO 0.18 0.03 -0.14 0.00 -0.25 0.00 0.00 175.52 175.34 1wyq n ALA 21 N -2.62 0.29 -0.25 6.62 0.00 -0.17 0.27 120.51 124.64 1wyq n ALA 21 Ca 0.18 0.94 0.18 0.00 0.00 0.00 0.00 53.44 54.74 1wyq n ALA 21 Cb 0.82 -0.61 0.34 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.51 -0.79 3.80 0.00 0.00 -0.82 -4.08 105.19 101.79 1wyq n GLY 22 Ca 0.16 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.49 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 -5.41 3.55 -0.01 1.61 1.51 0.14 -5.01 117.35 113.73 1wyq s TYR 23 Ca -0.08 0.59 -0.25 0.00 -1.01 0.00 0.00 57.07 56.32 1wyq s TYR 23 Cb 0.24 -2.15 -0.19 0.00 -0.11 0.00 0.00 41.96 39.75 1wyq s TYR 23 CO 0.59 0.50 1.28 -1.00 -1.11 0.00 0.00 175.55 175.81 1wyq h PRO 24 N 5.73 0.09 -0.51 -1.71 0.13 -1.83 -3.27 132.00 130.63 1wyq h PRO 24 Ca -0.48 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1wyq h PRO 24 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1wyq h PRO 24 CO 0.67 0.55 0.31 -2.95 -0.23 0.00 0.00 178.00 176.35 1wyq h ASN 25 N -0.37 0.51 -2.89 1.44 -1.07 -1.94 -3.40 115.58 107.86 1wyq h ASN 25 Ca 0.01 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.81 1wyq h ASN 25 Cb 0.54 -0.11 -0.03 0.00 -2.07 0.00 0.00 38.32 36.65 1wyq h ASN 25 CO 0.01 0.36 1.09 -0.69 0.07 0.00 0.00 177.43 178.27 1wyq s VAL 26 N -6.14 3.81 -0.18 6.14 1.01 -1.23 -4.98 120.40 118.83 1wyq s VAL 26 Ca -0.13 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 1wyq s VAL 26 Cb 0.13 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1wyq s VAL 26 CO 0.74 -0.38 0.05 0.20 0.00 0.00 0.00 175.10 175.71 1wyq s ASN 27 N 3.93 2.67 -1.25 3.32 -0.87 -1.26 -4.54 114.94 116.94 1wyq s ASN 27 Ca 0.67 -0.71 -0.16 0.00 -1.57 0.00 0.00 52.86 51.09 1wyq s ASN 27 Cb -0.22 -0.49 0.12 0.00 -0.02 0.00 0.00 41.25 40.64 1wyq s ASN 27 CO 0.28 -0.31 1.58 -0.69 -2.57 0.00 0.00 177.10 175.39 1wyq s VAL 28 N 1.94 4.56 -0.11 1.60 1.01 -1.26 -4.68 120.40 123.46 1wyq s VAL 28 Ca 0.00 -2.25 0.01 0.00 0.00 0.00 0.00 61.98 59.75 1wyq s VAL 28 Cb -0.16 -5.06 -0.24 0.00 0.00 0.00 0.00 36.38 30.92 1wyq s VAL 28 CO -0.08 -1.83 0.39 1.57 0.00 0.00 0.00 175.10 175.15 1wyq n HIS 29 N 7.07 1.02 -4.46 5.22 -0.00 -1.26 -4.70 115.22 118.10 1wyq n HIS 29 Ca 0.43 0.26 -0.24 0.00 -0.00 0.00 0.00 57.72 58.16 1wyq n HIS 29 Cb 0.45 -1.15 -0.08 0.00 -0.00 0.00 0.00 29.99 29.21 1wyq n HIS 29 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1wyq s ASN 30 N -6.64 2.55 -0.16 0.26 4.22 -1.26 -5.06 114.94 108.85 1wyq s ASN 30 Ca -0.18 -1.71 0.17 0.00 -2.14 0.00 0.00 52.86 49.00 1wyq s ASN 30 Cb 0.07 0.55 0.46 0.00 1.28 0.00 0.00 41.25 43.62 1wyq s ASN 30 CO 0.78 -0.98 1.35 0.49 -2.04 0.00 0.00 177.10 176.69 1wyq n PHE 31 N -0.85 0.71 0.08 1.54 3.72 -1.26 -4.35 117.46 117.05 1wyq n PHE 31 Ca -0.03 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.50 1wyq n PHE 31 Cb 0.64 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.64 0.88 -1.03 4.37 -2.24 -1.26 -4.03 114.28 110.32 1wyq n THR 32 Ca 0.19 0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 62.01 1wyq n THR 32 Cb 0.81 -1.28 0.10 0.00 -2.10 0.00 0.00 70.33 67.86 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 -3.50 3.12 0.00 4.28 -2.24 -1.26 -3.66 114.28 111.02 1wyq n THR 33 Ca 0.00 -2.10 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 1wyq n THR 33 Cb 0.00 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 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 -0.67 4.09 -0.27 3.42 2.88 -1.26 -4.74 113.62 117.08 1wyq n SER 34 Ca 0.51 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.11 1wyq n SER 34 Cb 1.01 0.41 -0.00 0.00 -0.75 0.00 0.00 64.21 64.88 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 -1.73 0.00 -0.10 0.66 7.02 -1.26 -4.32 117.44 117.71 1wyq n TRP 35 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.42 1wyq n TRP 35 Cb 0.41 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.31 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 1.31 -0.06 0.59 -0.99 1.12 -1.85 -3.03 114.38 111.46 1wyq h ARG 36 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 1wyq h ARG 36 Cb 0.40 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.38 1wyq h ARG 36 CO 0.00 -0.04 -0.28 0.22 -3.11 0.00 0.00 179.97 176.76 1wyq h ASP 37 N -0.06 -0.67 0.00 -3.80 1.82 -1.92 -3.38 116.42 108.41 1wyq h ASP 37 Ca 0.18 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1wyq h ASP 37 Cb 0.33 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1wyq h ASP 37 CO -0.40 -0.39 0.00 0.61 -1.61 0.00 0.00 179.24 177.44 1wyq n GLY 38 N -0.76 4.51 0.24 -0.78 0.00 -1.15 -4.17 105.19 103.08 1wyq n GLY 38 Ca -0.10 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.18 -0.21 0.99 4.77 -1.26 0.52 117.00 121.62 1wyq n LEU 39 Ca 0.00 1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 57.05 1wyq n LEU 39 Cb 0.00 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1wyq n LEU 39 CO 0.00 -1.15 0.53 0.00 -1.33 0.00 0.00 177.39 175.43 1wyq h ALA 40 N 1.38 -0.54 -0.63 -1.18 0.00 -1.91 0.45 119.26 116.82 1wyq h ALA 40 Ca 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1wyq h ALA 40 Cb 0.64 1.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1wyq h ALA 40 CO -0.68 -0.94 0.39 0.74 0.00 0.00 0.00 179.25 178.75 1wyq h PHE 41 N -0.26 0.82 0.00 0.00 0.04 -0.27 -0.45 116.94 116.81 1wyq h PHE 41 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1wyq h PHE 41 Cb 0.56 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1wyq h PHE 41 CO -0.77 0.55 0.00 0.09 -0.60 0.00 0.00 178.31 177.58 1wyq n ASN 42 N -4.61 0.00 -0.12 2.17 3.02 -0.18 -2.92 115.26 112.62 1wyq n ASN 42 Ca 0.05 -0.80 -0.19 0.00 -0.03 0.00 0.00 54.58 53.60 1wyq n ASN 42 Cb 0.05 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.87 1.45 -0.00 5.41 0.00 0.14 -3.76 120.51 122.88 1wyq n ALA 43 Ca 0.12 -1.02 -0.11 0.00 0.00 0.00 0.00 53.44 52.42 1wyq n ALA 43 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.23 1.06 0.50 0.00 2.04 -1.30 -2.64 117.51 116.92 1wyq h ILE 44 Ca -0.56 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1wyq h ILE 44 Cb 1.76 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1wyq h ILE 44 CO -0.16 0.05 -0.24 0.58 0.00 0.00 0.00 178.15 178.38 1wyq h VAL 45 N 0.08 0.00 -0.77 1.67 2.07 -1.80 -3.19 116.25 114.31 1wyq h VAL 45 Ca 0.03 -0.31 0.26 0.00 0.82 0.00 0.00 66.70 67.50 1wyq h VAL 45 Cb 0.04 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.66 1wyq h VAL 45 CO -0.01 0.00 0.18 1.57 0.02 0.00 0.00 177.57 179.33 1wyq n HIS 46 N -4.65 0.66 -0.11 1.57 -0.00 -1.24 0.20 115.22 111.64 1wyq n HIS 46 Ca -0.08 0.92 -0.06 0.00 -0.00 0.00 0.00 57.72 58.50 1wyq n HIS 46 Cb 0.26 -1.18 0.02 0.00 -0.00 0.00 0.00 29.99 29.09 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 0.32 -0.00 1.57 1.63 -1.47 -0.48 116.57 118.14 1wyq h LYS 47 Ca 0.54 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1wyq h LYS 47 Cb 1.28 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1wyq h LYS 47 CO -0.67 0.21 -0.01 0.45 -3.45 0.00 0.00 179.45 175.98 1wyq h HIS 48 N 0.33 0.01 -3.08 1.91 3.86 0.23 -3.41 115.15 115.00 1wyq h HIS 48 Ca 0.17 -0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.75 1wyq h HIS 48 Cb 0.11 -0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.18 1wyq h HIS 48 CO -0.12 0.73 -0.71 1.03 0.86 0.00 0.00 177.93 179.72 1wyq s ARG 49 N -3.31 1.54 0.00 2.45 1.81 0.11 -4.95 118.95 116.61 1wyq s ARG 49 Ca -0.17 -2.27 0.07 0.00 -1.72 0.00 0.00 55.73 51.63 1wyq s ARG 49 Cb -0.00 -2.64 0.41 0.00 -0.45 0.00 0.00 34.95 32.26 1wyq s ARG 49 CO 0.68 -1.17 0.86 -0.35 -0.68 0.00 0.00 175.30 174.65 1wyq n PRO 50 N 3.28 0.49 -0.10 3.54 -0.04 -0.20 -2.72 135.00 139.26 1wyq n PRO 50 Ca 0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1wyq n PRO 50 Cb 0.34 -1.22 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 1wyq n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wyq n ASP 51 N -0.72 2.00 -0.06 3.54 8.00 -1.26 -4.60 116.55 123.44 1wyq n ASP 51 Ca 0.05 0.09 -0.02 0.00 0.71 0.00 0.00 54.79 55.62 1wyq n ASP 51 Cb 0.02 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 40.46 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wyq h LEU 52 N -0.29 -0.39 -9.24 0.64 3.38 -1.91 -3.43 115.31 104.08 1wyq h LEU 52 Ca -0.55 0.06 -0.58 0.00 0.09 0.00 0.00 57.88 56.89 1wyq h LEU 52 Cb 1.81 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 42.59 1wyq h LEU 52 CO -0.14 -0.06 -0.72 -1.48 0.09 0.00 0.00 178.44 176.13 1wyq s LEU 53 N -6.64 2.62 -0.67 1.67 2.34 -1.26 -5.10 118.68 111.64 1wyq s LEU 53 Ca -0.02 -1.10 -0.07 0.00 0.06 0.00 0.00 54.13 53.00 1wyq s LEU 53 Cb 0.02 -0.98 0.17 0.00 -0.56 0.00 0.00 46.19 44.84 1wyq s LEU 53 CO 0.12 -0.10 0.52 -1.81 -1.06 0.00 0.00 176.35 174.03 1wyq s ASP 54 N -3.51 5.72 0.31 1.48 1.11 -1.26 -4.80 116.67 115.72 1wyq s ASP 54 Ca 0.30 -2.72 0.08 0.00 0.18 0.00 0.00 52.55 50.38 1wyq s ASP 54 Cb -0.01 -1.97 0.84 0.00 1.07 0.00 0.00 42.92 42.85 1wyq s ASP 54 CO 0.14 -0.46 1.71 0.15 1.18 0.00 0.00 175.17 177.90 1wyq h PHE 55 N 7.37 0.86 -0.95 4.23 3.57 -1.92 0.30 116.94 130.41 1wyq h PHE 55 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1wyq h PHE 55 Cb 0.99 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 1wyq h PHE 55 CO 0.80 0.00 0.60 0.93 -2.23 0.00 0.00 178.31 178.40 1wyq h GLU 56 N 0.49 1.01 -0.19 1.11 5.08 -1.98 -2.36 114.58 117.74 1wyq h GLU 56 Ca 0.62 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.84 1wyq h GLU 56 Cb 1.20 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1wyq h GLU 56 CO -0.51 0.67 -0.19 1.03 -1.00 0.00 0.00 179.01 179.02 1wyq h SER 57 N 1.04 0.49 -1.75 1.42 0.87 -0.85 -3.45 113.55 111.32 1wyq h SER 57 Ca 0.43 -0.48 -0.67 0.00 -1.23 0.00 0.00 61.79 59.85 1wyq h SER 57 Cb 0.27 -0.14 0.08 0.00 -0.44 0.00 0.00 62.40 62.17 1wyq h SER 57 CO -0.20 0.87 0.20 0.18 -0.53 0.00 0.00 176.83 177.34 1wyq n LEU 58 N -4.47 1.16 -4.97 2.23 4.77 -0.69 -4.96 117.00 110.07 1wyq n LEU 58 Ca -0.05 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.82 1wyq n LEU 58 Cb 0.39 -1.16 0.12 0.00 -2.33 0.00 0.00 43.42 40.44 1wyq n LEU 58 CO 0.41 -1.48 0.63 -0.54 -1.33 0.00 0.00 177.39 175.08 1wyq s LYS 59 N -0.33 1.52 -0.15 3.23 -0.14 -1.26 -4.98 119.74 117.63 1wyq s LYS 59 Ca 0.75 -0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 54.44 1wyq s LYS 59 Cb -0.91 -2.20 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 1wyq s LYS 59 CO 0.53 -1.63 -0.11 -0.22 -0.76 0.00 0.00 175.35 173.16 1wyq h LYS 60 N -0.79 0.00 -0.75 1.68 1.63 -1.98 -3.39 116.57 112.97 1wyq h LYS 60 Ca -0.40 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.48 1wyq h LYS 60 Cb 1.27 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.83 1wyq h LYS 60 CO 0.43 0.16 0.41 0.00 -3.45 0.00 0.00 179.45 177.00 1wyq n ASN 62 N -4.78 2.37 0.00 0.00 4.05 -1.26 -4.85 115.26 110.79 1wyq n ASN 62 Ca 0.11 1.10 0.00 0.00 0.45 0.00 0.00 54.58 56.24 1wyq n ASN 62 Cb 0.23 -1.30 0.00 0.00 1.23 0.00 0.00 39.78 39.94 1wyq n ASN 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wyq n ALA 63 N 3.16 2.86 0.14 5.20 0.00 -1.26 -4.63 120.51 125.98 1wyq n ALA 63 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1wyq n ALA 63 Cb 0.23 0.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 -0.70 0.01 0.00 -0.00 -1.82 0.57 115.15 113.21 1wyq h HIS 64 Ca 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.40 1wyq h HIS 64 Cb 0.51 0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.16 1wyq h HIS 64 CO 0.00 -0.33 -0.14 -0.92 -0.00 0.00 0.00 177.93 176.54 1wyq h TYR 65 N -0.50 -0.37 -0.96 5.26 5.03 -1.93 0.45 116.97 123.97 1wyq h TYR 65 Ca -0.03 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.43 1wyq h TYR 65 Cb 0.43 0.16 -0.08 0.00 1.55 0.00 0.00 36.73 38.79 1wyq h TYR 65 CO -0.16 -0.21 0.61 -0.91 -1.32 0.00 0.00 178.16 176.16 1wyq h ASN 66 N -0.24 0.81 0.04 -2.11 4.21 -1.80 0.17 115.58 116.65 1wyq h ASN 66 Ca 0.05 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 1wyq h ASN 66 Cb 0.30 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 1wyq h ASN 66 CO -0.13 0.41 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.32 1wyq h LEU 67 N 0.85 -0.05 -1.60 1.61 3.38 0.91 -2.98 115.31 117.44 1wyq h LEU 67 Ca 0.49 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.81 1wyq h LEU 67 Cb 0.62 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 1wyq h LEU 67 CO -0.25 -0.01 0.82 0.06 0.09 0.00 0.00 178.44 179.14 1wyq h GLN 68 N -0.10 0.17 -0.18 1.13 3.07 -0.87 0.25 115.11 118.59 1wyq h GLN 68 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.73 1wyq h GLN 68 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1wyq h GLN 68 CO 0.01 0.11 0.09 -0.97 0.09 0.00 0.00 178.83 178.16 1wyq h ASN 69 N 0.18 0.13 -0.35 0.06 -1.24 -0.70 0.26 115.58 113.91 1wyq h ASN 69 Ca 0.66 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 57.56 1wyq h ASN 69 Cb 2.14 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 41.16 1wyq h ASN 69 CO -0.23 0.10 -0.26 0.00 -1.29 0.00 0.00 177.43 175.76 1wyq h ALA 70 N 1.09 0.51 -0.25 1.57 0.00 -0.40 0.14 119.26 121.92 1wyq h ALA 70 Ca 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wyq h ALA 70 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wyq h ALA 70 CO -0.05 0.51 0.13 0.74 0.00 0.00 0.00 179.25 180.58 1wyq h PHE 71 N 0.59 0.35 -0.19 0.00 0.04 -1.03 -0.10 116.94 116.60 1wyq h PHE 71 Ca 0.07 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.71 1wyq h PHE 71 Cb 0.83 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 1wyq h PHE 71 CO 0.06 0.32 -0.32 -0.91 -0.60 0.00 0.00 178.31 176.87 1wyq h ASN 72 N 0.28 0.62 -0.70 2.17 2.35 -0.50 -0.01 115.58 119.79 1wyq h ASN 72 Ca 0.09 -0.53 0.04 0.00 -0.55 0.00 0.00 56.30 55.35 1wyq h ASN 72 Cb 0.10 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1wyq h ASN 72 CO -0.01 1.03 0.42 -0.07 -1.65 0.00 0.00 177.43 177.15 1wyq h LEU 73 N 0.23 0.68 -0.16 1.61 3.38 -0.64 0.41 115.31 120.81 1wyq h LEU 73 Ca 0.01 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1wyq h LEU 73 Cb 0.91 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1wyq h LEU 73 CO 0.07 0.46 -0.88 0.00 0.09 0.00 0.00 178.44 178.18 1wyq h ALA 74 N 1.32 0.32 0.00 1.53 0.00 -1.01 0.42 119.26 121.85 1wyq h ALA 74 Ca 0.29 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1wyq h ALA 74 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wyq h ALA 74 CO -0.13 0.73 -0.11 1.49 0.00 0.00 0.00 179.25 181.23 1wyq h GLU 75 N 0.38 0.00 0.00 0.00 4.22 -0.54 0.23 114.58 118.87 1wyq h GLU 75 Ca -0.08 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.25 1wyq h GLU 75 Cb 1.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 1wyq h GLU 75 CO 0.17 0.11 -1.27 1.17 -2.18 0.00 0.00 179.01 177.01 1wyq n LYS 76 N -3.24 0.53 0.06 1.92 4.81 0.14 -3.64 118.16 118.74 1wyq n LYS 76 Ca 0.01 0.30 -0.02 0.00 -0.87 0.00 0.00 58.31 57.72 1wyq n LYS 76 Cb 0.38 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.91 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 -1.00 -0.14 0.09 1.64 4.39 -0.26 -3.34 114.58 115.96 1wyq h GLU 77 Ca -0.17 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1wyq h GLU 77 Cb 1.07 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1wyq h GLU 77 CO -0.11 -0.10 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.53 1wyq h LEU 78 N -0.17 -0.10 0.00 1.33 3.38 -1.48 -3.48 115.31 114.78 1wyq h LEU 78 Ca -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1wyq h LEU 78 Cb 0.11 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wyq h LEU 78 CO 0.03 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1wyq n GLY 79 N -0.64 1.50 3.74 0.83 0.00 0.74 -5.01 105.19 106.35 1wyq n GLY 79 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 4.28 -0.10 0.99 1.43 -1.08 -4.95 118.68 119.25 1wyq s LEU 80 Ca 0.00 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 1wyq s LEU 80 Cb 0.00 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 1wyq s LEU 80 CO 0.00 0.11 1.83 -0.89 0.23 0.00 0.00 176.35 177.63 1wyq s THR 81 N 0.28 3.35 -0.66 5.49 2.01 -1.26 -3.91 115.64 120.93 1wyq s THR 81 Ca 0.19 0.41 -0.27 0.00 0.31 0.00 0.00 61.69 62.34 1wyq s THR 81 Cb -0.14 -3.32 -0.12 0.00 0.01 0.00 0.00 72.50 68.93 1wyq s THR 81 CO 0.06 -0.10 2.48 0.29 -0.69 0.00 0.00 174.62 176.67 1wyq n LYS 82 N 7.67 0.69 0.12 4.92 5.02 -1.26 -4.76 118.16 130.56 1wyq n LYS 82 Ca 0.21 -0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 1wyq n LYS 82 Cb 0.43 -2.89 -0.15 0.00 -0.02 0.00 0.00 35.03 32.40 1wyq n LYS 82 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wyq h LEU 83 N 17.65 0.68 0.00 -0.35 3.38 -1.98 -3.47 115.31 131.23 1wyq h LEU 83 Ca -0.16 -0.78 -0.30 0.00 0.09 0.00 0.00 57.88 56.73 1wyq h LEU 83 Cb 1.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1wyq h LEU 83 CO 1.22 1.62 -0.13 0.18 0.09 0.00 0.00 178.44 181.42 1wyq n LEU 84 N -3.63 0.00 -4.09 1.67 4.77 -1.26 -5.13 117.00 109.33 1wyq n LEU 84 Ca -0.16 -1.51 -0.10 0.00 -0.03 0.00 0.00 56.01 54.21 1wyq n LEU 84 Cb 1.08 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 42.01 1wyq n LEU 84 CO 0.57 -0.46 -0.38 -1.81 -1.33 0.00 0.00 177.39 173.98 1wyq s ASP 85 N -2.76 0.76 0.00 -1.43 1.11 -1.26 -5.02 116.67 108.07 1wyq s ASP 85 Ca 0.19 -0.77 0.15 0.00 0.18 0.00 0.00 52.55 52.30 1wyq s ASP 85 Cb -0.02 0.10 0.92 0.00 1.07 0.00 0.00 42.92 44.99 1wyq s ASP 85 CO 0.12 -0.38 1.33 -0.81 1.18 0.00 0.00 175.17 176.61 1wyq n PRO 86 N 0.76 0.49 -0.02 8.23 -0.04 -1.26 -2.03 135.00 141.12 1wyq n PRO 86 Ca -0.18 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.26 1wyq n PRO 86 Cb 0.58 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.99 1.48 -0.04 0.54 -0.58 -1.26 -4.31 120.64 115.48 1wyq n GLU 87 Ca 0.12 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.73 1wyq n GLU 87 Cb 0.05 -1.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.83 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1wyq h ASP 88 N 0.00 0.85 0.06 1.62 3.32 -1.93 -3.36 116.42 116.98 1wyq h ASP 88 Ca -0.08 -0.48 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 1wyq h ASP 88 Cb 1.15 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1wyq h ASP 88 CO -0.01 1.26 -0.03 0.58 -1.72 0.00 0.00 179.24 179.32 1wyq h VAL 89 N 0.57 0.00 -0.16 -1.35 2.07 -1.69 -3.44 116.25 112.24 1wyq h VAL 89 Ca -0.00 -0.21 -0.75 0.00 0.82 0.00 0.00 66.70 66.55 1wyq h VAL 89 Cb 1.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1wyq h VAL 89 CO 0.12 0.00 1.34 -0.46 0.02 0.00 0.00 177.57 178.60 1wyq n ASN 90 N -2.82 0.95 -3.61 0.57 6.94 -1.26 -4.51 115.26 111.52 1wyq n ASN 90 Ca -0.01 0.63 -0.01 0.00 -0.02 0.00 0.00 54.58 55.17 1wyq n ASN 90 Cb 0.03 -0.95 -0.01 0.00 -2.36 0.00 0.00 39.78 36.49 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1wyq s VAL 91 N 6.24 0.00 0.13 3.53 0.11 -1.26 -4.86 120.40 124.29 1wyq s VAL 91 Ca 1.19 -0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 59.86 1wyq s VAL 91 Cb -1.40 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 1wyq s VAL 91 CO 0.63 0.00 1.61 0.44 -3.33 0.00 0.00 175.10 174.45 1wyq h ASP 92 N 2.00 -1.05 -2.72 3.54 5.19 -1.96 -3.35 116.42 118.07 1wyq h ASP 92 Ca -0.21 0.14 -0.60 0.00 -0.62 0.00 0.00 57.03 55.75 1wyq h ASP 92 Cb 1.18 0.43 -0.39 0.00 0.18 0.00 0.00 39.33 40.73 1wyq h ASP 92 CO 0.26 -0.38 -0.85 0.00 -3.12 0.00 0.00 179.24 175.15 1wyq s GLN 93 N -5.98 1.16 1.21 3.56 -2.07 -1.26 -4.70 119.66 111.59 1wyq s GLN 93 Ca -0.15 -2.16 -0.20 0.00 -1.82 0.00 0.00 55.36 51.03 1wyq s GLN 93 Cb 0.10 -1.88 0.29 0.00 -1.09 0.00 0.00 33.01 30.43 1wyq s GLN 93 CO 0.65 -1.30 1.11 -1.25 -1.32 0.00 0.00 175.29 173.18 1wyq s PRO 94 N 0.04 -1.32 -0.87 9.60 0.04 -1.26 -4.93 135.00 136.31 1wyq s PRO 94 Ca 0.26 -0.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.97 1wyq s PRO 94 Cb -0.07 -1.59 0.06 0.00 0.04 0.00 0.00 34.50 32.94 1wyq s PRO 94 CO -0.12 -3.77 1.28 -0.51 0.04 0.00 0.00 177.00 173.92 1wyq s ASP 95 N -3.91 6.36 0.35 6.66 1.01 -1.26 -4.86 116.67 121.02 1wyq s ASP 95 Ca 0.71 -1.14 0.15 0.00 0.71 0.00 0.00 52.55 52.98 1wyq s ASP 95 Cb -0.09 -2.52 1.07 0.00 1.01 0.00 0.00 42.92 42.39 1wyq s ASP 95 CO 0.56 -1.55 1.68 1.05 0.21 0.00 0.00 175.17 177.12 1wyq h GLU 96 N 9.71 0.36 -0.06 8.23 9.09 -1.92 0.17 114.58 140.16 1wyq h GLU 96 Ca -0.03 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.34 1wyq h GLU 96 Cb 1.03 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1wyq h GLU 96 CO 1.30 0.24 -0.02 0.87 0.05 0.00 0.00 179.01 181.45 1wyq h LYS 97 N 0.37 0.12 0.00 1.06 6.56 -1.89 0.68 116.57 123.46 1wyq h LYS 97 Ca 0.71 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.26 1wyq h LYS 97 Cb 1.63 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.28 1wyq h LYS 97 CO -0.55 0.46 0.00 0.45 -2.06 0.00 0.00 179.45 177.75 1wyq n SER 98 N -4.82 0.42 -0.11 0.86 2.88 0.47 -2.01 113.62 111.30 1wyq n SER 98 Ca -0.07 0.68 -0.22 0.00 -1.33 0.00 0.00 58.87 57.93 1wyq n SER 98 Cb 0.22 -0.74 -0.12 0.00 -0.75 0.00 0.00 64.21 62.83 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 -2.04 1.55 0.27 2.46 5.41 -0.42 -4.19 119.36 122.41 1wyq n ILE 99 Ca -0.00 -0.50 0.12 0.00 1.00 0.00 0.00 62.75 63.36 1wyq n ILE 99 Cb 0.06 -1.62 0.77 0.00 -0.71 0.00 0.00 39.64 38.13 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 -0.29 0.72 -0.30 1.39 2.04 -0.36 -2.20 117.51 118.50 1wyq h ILE 100 Ca -0.57 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.01 1wyq h ILE 100 Cb 1.81 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1wyq h ILE 100 CO -0.15 0.05 -0.20 0.74 0.00 0.00 0.00 178.15 178.59 1wyq h THR 101 N 0.00 1.30 0.22 -0.27 2.02 -1.59 -2.64 112.91 111.95 1wyq h THR 101 Ca -0.00 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 1wyq h THR 101 Cb 0.11 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1wyq h THR 101 CO 0.01 0.43 -0.11 0.22 0.37 0.00 0.00 175.52 176.43 1wyq h TYR 102 N 0.40 -0.28 -1.22 3.16 5.03 -1.58 -3.16 116.97 119.32 1wyq h TYR 102 Ca 0.06 -0.01 0.35 0.00 2.58 0.00 0.00 58.73 61.72 1wyq h TYR 102 Cb 0.74 0.09 -0.05 0.00 1.55 0.00 0.00 36.73 39.07 1wyq h TYR 102 CO 0.07 -0.17 1.05 -0.24 -1.32 0.00 0.00 178.16 177.54 1wyq h VAL 103 N -0.48 0.17 -0.98 1.81 3.04 -1.56 0.48 116.25 118.73 1wyq h VAL 103 Ca -0.03 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.77 1wyq h VAL 103 Cb 0.23 0.22 -0.08 0.00 -2.01 0.00 0.00 31.29 29.65 1wyq h VAL 103 CO 0.05 0.00 0.61 0.00 -1.01 0.00 0.00 177.57 177.23 1wyq h ALA 104 N 1.05 1.46 -0.75 3.17 0.00 -1.42 -1.46 119.26 121.31 1wyq h ALA 104 Ca 0.58 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.55 1wyq h ALA 104 Cb 2.67 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 20.20 1wyq h ALA 104 CO -0.01 0.23 0.46 1.79 0.00 0.00 0.00 179.25 181.73 1wyq h THR 105 N 0.99 1.07 -0.78 0.00 1.35 -0.14 -2.16 112.91 113.24 1wyq h THR 105 Ca 0.48 -0.30 0.16 0.00 -0.55 0.00 0.00 66.41 66.19 1wyq h THR 105 Cb 0.44 0.11 -0.10 0.00 -1.73 0.00 0.00 68.15 66.87 1wyq h THR 105 CO -0.25 0.16 0.30 1.88 -0.25 0.00 0.00 175.52 177.36 1wyq h TYR 106 N 0.88 0.51 0.43 4.73 -1.99 -1.37 0.52 116.97 120.68 1wyq h TYR 106 Ca 0.31 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 61.06 1wyq h TYR 106 Cb 0.07 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1wyq h TYR 106 CO -0.04 0.03 -0.20 -0.92 -0.00 0.00 0.00 178.16 177.02 1wyq h TYR 107 N 0.42 -0.53 0.11 4.88 3.20 -1.39 -2.65 116.97 121.01 1wyq h TYR 107 Ca 0.44 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.31 1wyq h TYR 107 Cb 0.70 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1wyq h TYR 107 CO -0.17 -0.33 -0.51 0.45 -1.64 0.00 0.00 178.16 175.95 1wyq h HIS 108 N -0.80 -1.48 -0.08 -3.82 3.86 -1.20 0.33 115.15 111.96 1wyq h HIS 108 Ca -0.06 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1wyq h HIS 108 Cb 0.44 0.63 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1wyq h HIS 108 CO 0.05 -0.59 -0.06 -0.92 0.86 0.00 0.00 177.93 177.28 1wyq h TYR 109 N -0.73 -0.18 -0.87 2.45 5.03 -0.07 0.19 116.97 122.78 1wyq h TYR 109 Ca 0.00 0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.47 1wyq h TYR 109 Cb 0.75 0.09 -0.09 0.00 1.55 0.00 0.00 36.73 39.02 1wyq h TYR 109 CO -0.45 -0.04 0.46 0.74 -1.32 0.00 0.00 178.16 177.55 1wyq h PHE 110 N -0.01 0.81 -0.59 -3.82 0.04 -1.36 -1.02 116.94 110.98 1wyq h PHE 110 Ca 0.01 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.92 1wyq h PHE 110 Cb 0.05 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 37.89 1wyq h PHE 110 CO -0.83 0.20 0.18 1.03 -0.60 0.00 0.00 178.31 178.30 1wyq h SER 111 N 0.66 0.13 -0.88 2.17 0.87 0.18 -1.03 113.55 115.64 1wyq h SER 111 Ca 0.47 0.09 0.20 0.00 -1.23 0.00 0.00 61.79 61.33 1wyq h SER 111 Cb 0.66 0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 62.60 1wyq h SER 111 CO -0.36 0.08 0.40 0.11 -0.53 0.00 0.00 176.83 176.54 1wyq h LYS 112 N 0.34 0.43 -7.17 2.24 1.79 0.66 -3.42 116.57 111.45 1wyq h LYS 112 Ca 0.30 -0.03 -0.51 0.00 -2.18 0.00 0.00 60.65 58.23 1wyq h LYS 112 Cb 0.40 -0.10 0.20 0.00 -1.58 0.00 0.00 32.23 31.16 1wyq h LYS 112 CO -0.34 0.29 0.05 -1.33 -1.08 0.00 0.00 179.45 177.04 1wyq n MET 113 N -5.01 -0.63 -3.51 3.15 2.81 -0.39 -3.47 117.12 110.07 1wyq n MET 113 Ca 0.21 -0.13 -0.22 0.00 -1.81 0.00 0.00 57.70 55.76 1wyq n MET 113 Cb 0.60 -2.26 0.08 0.00 -0.71 0.00 0.00 33.22 30.93 1wyq n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1wyq n LYS 114 N -3.87 -7.37 -4.49 0.03 5.02 -1.26 -5.01 118.16 101.21 1wyq n LYS 114 Ca 0.10 0.79 -0.24 0.00 -2.02 0.00 0.00 58.31 56.94 1wyq n LYS 114 Cb 0.53 -5.70 -0.09 0.00 -0.02 0.00 0.00 35.03 29.75 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq s ALA 115 N -3.31 2.71 0.22 7.82 0.00 -1.23 -5.04 121.76 122.93 1wyq s ALA 115 Ca 0.48 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 1wyq s ALA 115 Cb -0.21 0.71 0.26 0.00 0.00 0.00 0.00 23.12 23.87 1wyq s ALA 115 CO 0.69 -0.32 1.62 -0.07 0.00 0.00 0.00 175.76 177.68 1wyq h LEU 116 N 1.91 -0.62 -9.69 0.00 -0.00 -1.95 -3.41 115.31 101.56 1wyq h LEU 116 Ca -0.38 0.20 -0.58 0.00 -0.00 0.00 0.00 57.88 57.13 1wyq h LEU 116 Cb 1.26 0.41 0.15 0.00 -0.00 0.00 0.00 40.66 42.49 1wyq h LEU 116 CO 0.62 -0.22 0.06 0.00 -0.00 0.00 0.00 178.44 178.90 1wyq n ALA 117 N -3.11 -0.03 -2.71 1.53 0.00 -1.26 -4.99 120.51 109.94 1wyq n ALA 117 Ca 0.08 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1wyq n ALA 117 Cb 0.34 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.66 1wyq n ALA 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wyq s VAL 118 N -1.44 4.32 0.33 0.00 1.01 -1.26 -4.88 120.40 118.47 1wyq s VAL 118 Ca 0.69 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1wyq s VAL 118 Cb -0.49 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1wyq s VAL 118 CO 0.53 0.36 0.09 -1.61 0.00 0.00 0.00 175.10 174.47 1wyq s GLU 119 N -1.64 1.65 0.00 2.72 0.41 -1.26 -5.16 118.70 115.42 1wyq s GLU 119 Ca 0.21 -1.94 0.00 0.00 -0.41 0.00 0.00 54.97 52.83 1wyq s GLU 119 Cb -0.12 -0.60 0.00 0.00 -1.78 0.00 0.00 34.13 31.64 1wyq s GLU 119 CO 0.12 -0.30 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 1wyq n GLY 120 N -0.68 -2.28 3.08 -1.39 0.00 -1.26 -5.09 105.19 97.57 1wyq n GLY 120 Ca -0.02 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 1wyq n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wyq s LYS 121 N -0.60 0.58 0.79 1.61 2.20 -1.26 -5.17 119.74 117.89 1wyq s LYS 121 Ca 0.00 -1.06 -0.05 0.00 -0.36 0.00 0.00 55.97 54.49 1wyq s LYS 121 Cb 0.00 0.06 0.15 0.00 -1.51 0.00 0.00 37.83 36.52 1wyq s LYS 121 CO 0.00 -0.06 1.09 -1.12 -0.36 0.00 0.00 175.35 174.90 1wyq s SER 122 N -2.49 4.00 -0.76 1.43 0.01 -1.26 -5.05 113.70 109.58 1wyq s SER 122 Ca 0.01 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.16 1wyq s SER 122 Cb 0.02 -0.14 0.19 0.00 0.21 0.00 0.00 66.02 66.30 1wyq s SER 122 CO -0.06 -2.11 0.62 0.61 0.41 0.00 0.00 173.24 172.71 1wyq n GLY 123 N -3.11 4.16 3.65 3.44 0.00 -1.26 -5.07 105.19 107.00 1wyq n GLY 123 Ca 0.15 -2.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.12 1wyq n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyq s PRO 124 N -1.58 4.08 -0.32 1.61 0.04 -1.26 -4.91 135.00 132.65 1wyq s PRO 124 Ca 0.27 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.29 1wyq s PRO 124 Cb -0.03 -3.95 0.46 0.00 0.04 0.00 0.00 34.50 31.02 1wyq s PRO 124 CO -0.14 -0.95 1.16 -1.13 0.04 0.00 0.00 177.00 175.99 1wyq n SER 125 N 7.41 4.58 -4.73 6.66 3.41 -1.26 -5.06 113.62 124.63 1wyq n SER 125 Ca 0.17 -3.60 -0.41 0.00 -0.26 0.00 0.00 58.87 54.77 1wyq n SER 125 Cb 0.44 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1wyq n SER 125 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wyq s SER 126 N -3.59 7.33 0.00 4.04 0.15 -1.26 -5.37 113.70 115.00 1wyq s SER 126 Ca 0.48 1.98 0.00 0.00 0.70 0.00 0.00 55.95 59.11 1wyq s SER 126 Cb 0.40 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1wyq s SER 126 CO -0.01 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.85