#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 3.22 0.05 1.61 0.15 -1.26 -5.08 113.70 112.39 1wyq s SER 2 Ca 0.00 -0.46 -0.27 0.00 0.70 0.00 0.00 55.95 55.92 1wyq s SER 2 Cb 0.00 -0.83 0.07 0.00 -1.71 0.00 0.00 66.02 63.55 1wyq s SER 2 CO 0.00 0.26 0.63 -0.55 1.20 0.00 0.00 173.24 174.78 1wyq s SER 3 N -0.24 -0.60 0.27 5.45 0.15 -1.26 -5.03 113.70 112.44 1wyq s SER 3 Ca -0.01 0.34 0.13 0.00 0.70 0.00 0.00 55.95 57.11 1wyq s SER 3 Cb -0.13 0.56 0.92 0.00 -1.71 0.00 0.00 66.02 65.66 1wyq s SER 3 CO 0.03 -0.78 1.19 0.61 1.20 0.00 0.00 173.24 175.49 1wyq n GLY 4 N 0.27 -0.67 3.33 9.45 0.00 -1.26 -4.55 105.19 111.76 1wyq n GLY 4 Ca -0.18 0.64 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.72 0.51 -1.10 1.61 1.04 -1.26 -5.06 113.70 104.72 1wyq s SER 5 Ca -0.07 -1.39 -0.24 0.00 0.48 0.00 0.00 55.95 54.73 1wyq s SER 5 Cb 0.25 0.49 -0.10 0.00 0.10 0.00 0.00 66.02 66.76 1wyq s SER 5 CO 0.59 -1.00 1.98 -0.55 0.98 0.00 0.00 173.24 175.24 1wyq s SER 6 N -3.19 4.76 -0.42 7.02 0.15 -1.26 -4.90 113.70 115.87 1wyq s SER 6 Ca 0.35 -1.30 -0.16 0.00 0.70 0.00 0.00 55.95 55.54 1wyq s SER 6 Cb 0.04 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1wyq s SER 6 CO 0.16 -3.30 0.37 -0.83 1.20 0.00 0.00 173.24 170.84 1wyq s GLY 7 N 7.28 1.95 0.29 9.45 0.00 -1.26 -5.05 107.32 119.97 1wyq s GLY 7 Ca 0.72 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1wyq s GLY 7 CO 0.11 1.05 0.05 0.00 0.00 0.00 0.00 173.10 174.31 1wyq s ALA 8 N 1.93 2.13 -0.32 3.20 0.00 -1.26 -4.97 121.76 122.46 1wyq s ALA 8 Ca 0.09 -1.96 0.08 0.00 0.00 0.00 0.00 51.96 50.17 1wyq s ALA 8 Cb -0.18 0.68 0.56 0.00 0.00 0.00 0.00 23.12 24.18 1wyq s ALA 8 CO 0.12 -0.32 1.58 0.36 0.00 0.00 0.00 175.76 177.51 1wyq n LYS 9 N -0.59 2.10 0.00 0.00 0.00 -1.26 -4.66 118.16 113.75 1wyq n LYS 9 Ca -0.02 -3.12 -0.02 0.00 -0.00 0.00 0.00 58.31 55.14 1wyq n LYS 9 Cb 0.66 -1.92 -0.01 0.00 -0.00 0.00 0.00 35.03 33.75 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 1.14 -0.10 -0.90 -5.58 3.32 -1.99 -2.76 116.42 109.55 1wyq h ASP 10 Ca 0.31 -0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.49 1wyq h ASP 10 Cb 1.96 0.03 -0.16 0.00 0.22 0.00 0.00 39.33 41.38 1wyq h ASP 10 CO 0.56 0.40 -0.27 0.00 -1.72 0.00 0.00 179.24 178.21 1wyq n ALA 11 N -2.76 0.11 0.29 3.45 0.00 -1.26 -0.79 120.51 119.55 1wyq n ALA 11 Ca -0.02 0.96 -0.15 0.00 0.00 0.00 0.00 53.44 54.23 1wyq n ALA 11 Cb 0.06 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 1wyq n ALA 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyq h LEU 12 N 0.00 -0.64 -0.96 0.00 5.85 -1.90 -2.76 115.31 114.91 1wyq h LEU 12 Ca 0.39 -0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.28 1wyq h LEU 12 Cb 0.62 0.17 -0.18 0.00 0.37 0.00 0.00 40.66 41.64 1wyq h LEU 12 CO -0.92 -0.31 -0.16 0.25 -0.34 0.00 0.00 178.44 176.97 1wyq h LEU 13 N -1.00 -0.76 -0.92 2.25 5.85 -0.65 0.87 115.31 120.95 1wyq h LEU 13 Ca -0.08 0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1wyq h LEU 13 Cb 0.65 0.56 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1wyq h LEU 13 CO 0.13 -0.32 0.60 0.25 -0.34 0.00 0.00 178.44 178.76 1wyq h LEU 14 N 0.01 1.02 0.23 2.25 5.85 -0.98 -2.40 115.31 121.29 1wyq h LEU 14 Ca 0.49 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1wyq h LEU 14 Cb 0.84 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1wyq h LEU 14 CO -0.96 0.72 -0.52 -0.25 -0.34 0.00 0.00 178.44 177.09 1wyq h TRP 15 N 1.20 -1.50 -0.76 1.25 7.01 0.11 0.26 115.95 123.52 1wyq h TRP 15 Ca 0.35 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.50 1wyq h TRP 15 Cb -0.07 0.62 -0.08 0.00 -2.10 0.00 0.00 29.16 27.53 1wyq h TRP 15 CO -0.01 -0.62 0.37 0.00 -2.79 0.00 0.00 178.44 175.39 1wyq h GLN 17 N 0.58 0.77 0.02 0.00 4.20 -0.87 0.51 115.11 120.31 1wyq h GLN 17 Ca 0.40 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 1wyq h GLN 17 Cb 0.50 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wyq h GLN 17 CO -0.32 0.51 -0.01 0.52 -0.67 0.00 0.00 178.83 178.86 1wyq h MET 18 N 0.79 -0.02 0.59 1.46 2.86 0.34 -2.05 114.93 118.90 1wyq h MET 18 Ca 0.29 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.90 1wyq h MET 18 Cb 0.10 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.77 1wyq h MET 18 CO -0.14 0.20 -0.28 0.87 1.06 0.00 0.00 176.91 178.62 1wyq h LYS 19 N -0.24 -0.76 -0.09 1.72 1.79 -0.92 -2.81 116.57 115.26 1wyq h LYS 19 Ca -0.00 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1wyq h LYS 19 Cb 0.23 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1wyq h LYS 19 CO 0.00 -0.51 0.60 1.79 -1.08 0.00 0.00 179.45 180.26 1wyq h THR 20 N -0.97 0.03 -1.63 -0.16 1.35 -0.07 -3.42 112.91 108.04 1wyq h THR 20 Ca -0.08 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.09 1wyq h THR 20 Cb 0.60 0.42 0.05 0.00 -1.73 0.00 0.00 68.15 67.49 1wyq h THR 20 CO 0.13 0.00 0.50 0.00 -0.25 0.00 0.00 175.52 175.90 1wyq n ALA 21 N -1.82 -0.99 0.00 6.62 0.00 -0.77 -2.21 120.51 121.34 1wyq n ALA 21 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1wyq n ALA 21 Cb 0.66 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 2.71 2.91 3.70 0.00 0.00 -1.26 -5.05 105.19 108.20 1wyq n GLY 22 Ca 0.20 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.13 3.45 0.00 1.61 1.51 -0.94 -4.96 117.35 117.89 1wyq s TYR 23 Ca 0.00 1.46 -0.24 0.00 -1.01 0.00 0.00 57.07 57.28 1wyq s TYR 23 Cb 0.00 -3.28 -0.18 0.00 -0.11 0.00 0.00 41.96 38.39 1wyq s TYR 23 CO 0.00 -0.69 1.30 -1.00 -1.11 0.00 0.00 175.55 174.05 1wyq h PRO 24 N 7.06 0.13 -1.21 -1.71 0.13 -1.98 -3.13 132.00 131.29 1wyq h PRO 24 Ca -0.37 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1wyq h PRO 24 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1wyq h PRO 24 CO 0.82 0.57 0.10 0.27 -0.23 0.00 0.00 178.00 179.53 1wyq n ASN 25 N -4.75 3.73 -3.93 1.44 6.94 -1.26 -4.78 115.26 112.65 1wyq n ASN 25 Ca -0.08 -2.31 -0.16 0.00 -0.02 0.00 0.00 54.58 52.02 1wyq n ASN 25 Cb 0.29 -0.68 -0.15 0.00 -2.36 0.00 0.00 39.78 36.88 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wyq s VAL 26 N -0.49 0.36 -0.30 3.53 1.01 -1.18 -4.91 120.40 118.41 1wyq s VAL 26 Ca 0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1wyq s VAL 26 Cb 0.06 -0.33 0.16 0.00 0.00 0.00 0.00 36.38 36.27 1wyq s VAL 26 CO 0.01 0.12 0.75 0.21 0.00 0.00 0.00 175.10 176.19 1wyq s ASN 27 N 0.15 -1.03 -0.73 3.32 2.47 -1.26 -4.86 114.94 113.00 1wyq s ASN 27 Ca -0.01 1.08 -0.13 0.00 0.42 0.00 0.00 52.86 54.22 1wyq s ASN 27 Cb -0.05 2.04 0.19 0.00 -1.45 0.00 0.00 41.25 41.98 1wyq s ASN 27 CO -0.00 -0.19 0.65 -0.69 -3.72 0.00 0.00 177.10 173.15 1wyq s VAL 28 N 2.80 5.23 -0.13 -5.21 1.01 -1.26 -4.79 120.40 118.04 1wyq s VAL 28 Ca 0.03 -2.31 0.09 0.00 0.00 0.00 0.00 61.98 59.79 1wyq s VAL 28 Cb -0.11 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.84 1wyq s VAL 28 CO -0.18 -0.97 0.01 1.57 0.00 0.00 0.00 175.10 175.53 1wyq n HIS 29 N 4.20 0.00 -4.34 5.22 -0.00 -1.26 -4.79 115.22 114.25 1wyq n HIS 29 Ca 0.07 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.06 1wyq n HIS 29 Cb 0.44 -0.63 -0.09 0.00 -0.12 0.00 0.00 29.99 29.59 1wyq n HIS 29 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1wyq s ASN 30 N -4.77 1.48 -0.30 0.26 4.22 -1.26 -5.05 114.94 109.51 1wyq s ASN 30 Ca -0.09 -1.51 0.09 0.00 -2.14 0.00 0.00 52.86 49.21 1wyq s ASN 30 Cb 0.04 0.33 0.56 0.00 1.28 0.00 0.00 41.25 43.46 1wyq s ASN 30 CO 0.49 -0.84 1.57 0.49 -2.04 0.00 0.00 177.10 176.77 1wyq n PHE 31 N -0.56 1.53 0.00 1.54 3.72 -1.26 -4.35 117.46 118.08 1wyq n PHE 31 Ca 0.00 -1.49 0.00 0.00 -0.05 0.00 0.00 57.45 55.91 1wyq n PHE 31 Cb 0.65 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.95 0.00 0.41 4.37 -2.24 -1.26 -3.92 114.28 110.69 1wyq n THR 32 Ca 0.37 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.09 1wyq n THR 32 Cb 1.16 -0.40 0.04 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.72 1.57 -0.01 4.28 -2.24 -1.26 -3.44 114.28 111.45 1wyq n THR 33 Ca 0.00 -0.49 -0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1wyq n THR 33 Cb 0.00 -0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 67.29 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 0.16 3.92 -0.32 3.42 2.88 -1.26 -4.64 113.62 117.77 1wyq n SER 34 Ca 0.14 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.72 1wyq n SER 34 Cb 0.76 0.87 0.06 0.00 -0.75 0.00 0.00 64.21 65.15 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 -1.95 0.12 -0.07 0.66 7.02 -1.22 -4.52 117.44 117.49 1wyq n TRP 35 Ca -0.04 -0.21 -0.09 0.00 -1.02 0.00 0.00 57.50 56.13 1wyq n TRP 35 Cb 0.42 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.27 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 1.27 0.31 0.58 -0.99 2.43 -1.82 -3.18 114.38 112.98 1wyq h ARG 36 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1wyq h ARG 36 Cb 0.43 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1wyq h ARG 36 CO 0.00 0.20 -0.28 -0.44 -1.51 0.00 0.00 179.97 177.94 1wyq h ASP 37 N 0.32 -0.66 0.00 -3.80 3.32 -1.91 -3.39 116.42 110.30 1wyq h ASP 37 Ca 0.10 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1wyq h ASP 37 Cb -0.01 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wyq h ASP 37 CO -0.05 -0.31 0.00 0.61 -1.72 0.00 0.00 179.24 177.78 1wyq n GLY 38 N -0.63 3.02 0.32 2.75 0.00 -1.20 -4.21 105.19 105.23 1wyq n GLY 38 Ca -0.11 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.73 -0.34 0.99 4.77 -1.26 -0.15 117.00 120.28 1wyq n LEU 39 Ca 0.00 1.38 -0.07 0.00 -0.03 0.00 0.00 56.01 57.29 1wyq n LEU 39 Cb 0.00 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1wyq n LEU 39 CO 0.00 -1.15 0.42 0.00 -1.33 0.00 0.00 177.39 175.32 1wyq n ALA 40 N -3.47 -0.41 -0.28 -1.18 0.00 -1.26 0.12 120.51 114.02 1wyq n ALA 40 Ca 0.03 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1wyq n ALA 40 Cb 0.23 -0.18 0.13 0.00 0.00 0.00 0.00 19.45 19.63 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 0.88 0.00 0.00 0.04 -0.89 0.20 116.94 117.17 1wyq h PHE 41 Ca 0.17 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1wyq h PHE 41 Cb 0.38 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1wyq h PHE 41 CO -0.81 0.43 0.00 0.09 -0.60 0.00 0.00 178.31 177.42 1wyq n ASN 42 N -4.68 0.00 -0.11 2.17 3.02 0.32 -2.85 115.26 113.13 1wyq n ASN 42 Ca 0.11 -0.77 -0.18 0.00 -0.03 0.00 0.00 54.58 53.71 1wyq n ASN 42 Cb 0.18 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.92 1.36 -0.11 5.41 0.00 0.66 -3.78 120.51 123.13 1wyq n ALA 43 Ca 0.14 -1.04 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 1wyq n ALA 43 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 0.01 1.15 0.46 0.00 2.04 -1.31 -2.75 117.51 117.10 1wyq h ILE 44 Ca -0.56 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1wyq h ILE 44 Cb 1.93 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1wyq h ILE 44 CO -0.06 0.15 -0.22 0.58 0.00 0.00 0.00 178.15 178.60 1wyq h VAL 45 N 0.43 0.00 -0.76 1.67 2.07 -1.78 -3.13 116.25 114.75 1wyq h VAL 45 Ca 0.12 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.60 1wyq h VAL 45 Cb 0.08 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.72 1wyq h VAL 45 CO -0.02 0.00 -0.27 1.57 0.02 0.00 0.00 177.57 178.87 1wyq n HIS 46 N -4.12 0.08 -0.31 1.57 -0.00 -1.24 0.22 115.22 111.43 1wyq n HIS 46 Ca -0.08 0.94 0.11 0.00 -0.00 0.00 0.00 57.72 58.69 1wyq n HIS 46 Cb 0.24 -0.82 0.28 0.00 -0.00 0.00 0.00 29.99 29.69 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 0.52 0.01 1.57 1.63 -1.52 -0.32 116.57 118.46 1wyq h LYS 47 Ca 0.29 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1wyq h LYS 47 Cb 0.48 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1wyq h LYS 47 CO -0.76 0.35 -0.00 0.45 -3.45 0.00 0.00 179.45 176.03 1wyq h HIS 48 N 0.54 -0.01 -3.01 1.91 3.86 0.28 -3.42 115.15 115.30 1wyq h HIS 48 Ca 0.52 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 59.13 1wyq h HIS 48 Cb 0.88 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.95 1wyq h HIS 48 CO -0.10 0.75 -0.75 1.03 0.86 0.00 0.00 177.93 179.73 1wyq s ARG 49 N -3.06 1.11 0.00 2.45 1.81 0.90 -4.96 118.95 117.20 1wyq s ARG 49 Ca -0.17 -1.75 0.10 0.00 -1.72 0.00 0.00 55.73 52.19 1wyq s ARG 49 Cb -0.01 -2.20 0.61 0.00 -0.45 0.00 0.00 34.95 32.90 1wyq s ARG 49 CO 0.67 -1.12 1.05 -0.35 -0.68 0.00 0.00 175.30 174.86 1wyq n PRO 50 N 3.88 0.49 -0.08 3.54 -0.04 -0.19 -2.77 135.00 139.82 1wyq n PRO 50 Ca 0.06 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 1wyq n PRO 50 Cb 0.36 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.83 2.00 -0.06 3.54 9.92 -1.26 -4.57 116.55 125.29 1wyq n ASP 51 Ca 0.08 0.19 -0.04 0.00 -0.53 0.00 0.00 54.79 54.49 1wyq n ASP 51 Cb 0.04 -0.76 -0.03 0.00 -0.64 0.00 0.00 41.12 39.72 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1wyq h LEU 52 N -0.41 -0.59 -9.70 0.64 3.38 -1.91 -3.44 115.31 103.29 1wyq h LEU 52 Ca -0.51 0.08 -0.62 0.00 0.09 0.00 0.00 57.88 56.92 1wyq h LEU 52 Cb 1.75 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 42.61 1wyq h LEU 52 CO -0.13 -0.11 -0.58 -1.48 0.09 0.00 0.00 178.44 176.23 1wyq s LEU 53 N -7.00 2.61 -0.46 1.67 2.34 -1.26 -5.12 118.68 111.46 1wyq s LEU 53 Ca -0.04 -1.46 0.03 0.00 0.06 0.00 0.00 54.13 52.72 1wyq s LEU 53 Cb 0.03 -0.77 0.13 0.00 -0.56 0.00 0.00 46.19 45.02 1wyq s LEU 53 CO 0.19 -0.59 0.22 -1.81 -1.06 0.00 0.00 176.35 173.29 1wyq s ASP 54 N -3.72 4.14 0.25 1.48 1.01 -1.26 -4.75 116.67 113.81 1wyq s ASP 54 Ca 0.27 -2.71 -0.06 0.00 0.71 0.00 0.00 52.55 50.76 1wyq s ASP 54 Cb 0.07 -1.41 0.47 0.00 1.01 0.00 0.00 42.92 43.07 1wyq s ASP 54 CO 0.14 -0.27 1.64 0.15 0.21 0.00 0.00 175.17 177.04 1wyq h PHE 55 N 6.79 0.04 -0.08 4.23 3.57 -1.93 0.83 116.94 130.39 1wyq h PHE 55 Ca -0.06 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1wyq h PHE 55 Cb 0.92 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1wyq h PHE 55 CO 0.49 -0.22 0.06 1.05 -2.23 0.00 0.00 178.31 177.47 1wyq h GLU 56 N 0.13 0.00 0.06 1.11 4.11 -1.98 -2.27 114.58 115.74 1wyq h GLU 56 Ca 0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.69 1wyq h GLU 56 Cb 0.77 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.03 1wyq h GLU 56 CO -0.64 0.00 -0.70 1.03 0.07 0.00 0.00 179.01 178.77 1wyq h SER 57 N 0.00 0.51 -1.67 3.06 0.87 0.19 -3.46 113.55 113.05 1wyq h SER 57 Ca 0.04 -0.84 -0.63 0.00 -1.23 0.00 0.00 61.79 59.12 1wyq h SER 57 Cb 0.17 -0.16 0.14 0.00 -0.44 0.00 0.00 62.40 62.10 1wyq h SER 57 CO -0.00 1.30 -0.61 0.18 -0.53 0.00 0.00 176.83 177.17 1wyq n LEU 58 N -4.17 -1.36 -4.50 2.23 4.77 -0.31 -4.96 117.00 108.70 1wyq n LEU 58 Ca -0.12 0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 56.49 1wyq n LEU 58 Cb 0.74 -0.99 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 1wyq n LEU 58 CO 0.48 -3.31 -0.40 -0.54 -1.33 0.00 0.00 177.39 172.29 1wyq s LYS 59 N -1.18 3.10 -0.07 3.23 -0.14 -1.26 -5.01 119.74 118.41 1wyq s LYS 59 Ca 0.62 -0.59 -0.04 0.00 -1.36 0.00 0.00 55.97 54.60 1wyq s LYS 59 Cb -0.73 -2.66 -0.13 0.00 -1.68 0.00 0.00 37.83 32.64 1wyq s LYS 59 CO 0.59 0.45 3.00 1.63 -0.76 0.00 0.00 175.35 180.26 1wyq n LYS 60 N 2.86 1.77 -0.00 1.68 5.02 -1.26 -3.97 118.16 124.26 1wyq n LYS 60 Ca -0.18 -0.93 -0.04 0.00 -2.02 0.00 0.00 58.31 55.14 1wyq n LYS 60 Cb 0.53 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq s ASN 62 N -5.82 5.45 -0.08 0.00 2.47 -1.25 -4.98 114.94 110.74 1wyq s ASN 62 Ca -0.08 -0.80 -0.26 0.00 0.42 0.00 0.00 52.86 52.15 1wyq s ASN 62 Cb 0.02 -1.96 -0.21 0.00 -1.45 0.00 0.00 41.25 37.65 1wyq s ASN 62 CO 0.10 -0.27 0.97 0.00 -3.72 0.00 0.00 177.10 174.19 1wyq h ALA 63 N 8.32 -0.04 -0.88 1.71 0.00 -1.88 -3.18 119.26 123.31 1wyq h ALA 63 Ca -0.29 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.43 1wyq h ALA 63 Cb 1.12 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 1wyq h ALA 63 CO 0.63 -0.16 -0.33 1.58 0.00 0.00 0.00 179.25 180.96 1wyq n HIS 64 N -4.77 0.05 -0.03 0.00 -0.00 -1.26 0.49 115.22 109.69 1wyq n HIS 64 Ca -0.09 1.09 -0.10 0.00 -0.00 0.00 0.00 57.72 58.62 1wyq n HIS 64 Cb 0.34 -0.85 -0.03 0.00 -0.00 0.00 0.00 29.99 29.45 1wyq n HIS 64 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1wyq h TYR 65 N 0.00 0.14 -0.99 1.57 5.03 -1.93 -0.54 116.97 120.25 1wyq h TYR 65 Ca 0.32 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.71 1wyq h TYR 65 Cb 0.54 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.71 1wyq h TYR 65 CO -0.77 0.08 0.63 -0.91 -1.32 0.00 0.00 178.16 175.87 1wyq h ASN 66 N 0.17 0.99 0.03 -2.11 2.35 0.06 0.70 115.58 117.76 1wyq h ASN 66 Ca 0.07 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1wyq h ASN 66 Cb 0.03 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1wyq h ASN 66 CO -0.06 0.60 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.24 1wyq h LEU 67 N 1.11 -0.03 -0.98 1.61 3.38 0.00 -3.00 115.31 117.39 1wyq h LEU 67 Ca 0.44 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.72 1wyq h LEU 67 Cb 0.25 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.86 1wyq h LEU 67 CO -0.20 -0.01 0.51 0.06 0.09 0.00 0.00 178.44 178.89 1wyq h GLN 68 N -0.06 0.30 -0.47 1.13 3.07 -1.10 0.25 115.11 118.24 1wyq h GLN 68 Ca -0.00 -0.02 0.09 0.00 0.09 0.00 0.00 58.65 58.81 1wyq h GLN 68 Cb 0.03 -0.07 -0.08 0.00 0.08 0.00 0.00 27.48 27.44 1wyq h GLN 68 CO 0.01 0.20 -0.00 -0.97 0.09 0.00 0.00 178.83 178.16 1wyq h ASN 69 N 0.31 -0.20 0.10 0.06 -1.24 -0.90 0.31 115.58 114.02 1wyq h ASN 69 Ca 0.70 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.81 1wyq h ASN 69 Cb 1.55 0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.80 1wyq h ASN 69 CO -0.61 -0.06 -0.05 0.00 -1.29 0.00 0.00 177.43 175.42 1wyq h ALA 70 N 1.42 -0.13 -0.94 1.57 0.00 -0.40 0.26 119.26 121.03 1wyq h ALA 70 Ca 0.23 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1wyq h ALA 70 Cb 0.35 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1wyq h ALA 70 CO -0.39 -0.39 0.60 0.74 0.00 0.00 0.00 179.25 179.81 1wyq h PHE 71 N -0.50 0.96 -0.01 0.00 0.04 -0.93 0.19 116.94 116.69 1wyq h PHE 71 Ca -0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1wyq h PHE 71 Cb 0.41 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1wyq h PHE 71 CO 0.04 0.35 -0.08 -0.91 -0.60 0.00 0.00 178.31 177.12 1wyq h ASN 72 N 0.81 0.09 -0.40 2.17 2.35 -0.32 0.09 115.58 120.37 1wyq h ASN 72 Ca 0.48 -0.69 0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1wyq h ASN 72 Cb 0.65 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 1wyq h ASN 72 CO -0.24 0.77 0.15 -0.07 -1.65 0.00 0.00 177.43 176.39 1wyq h LEU 73 N -0.57 0.18 -0.38 1.61 3.38 -0.34 0.19 115.31 119.38 1wyq h LEU 73 Ca -0.01 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1wyq h LEU 73 Cb 0.77 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1wyq h LEU 73 CO 0.02 0.14 -0.56 0.00 0.09 0.00 0.00 178.44 178.13 1wyq h ALA 74 N 1.25 0.55 0.00 1.53 0.00 -0.73 0.61 119.26 122.46 1wyq h ALA 74 Ca 0.18 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wyq h ALA 74 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wyq h ALA 74 CO -0.17 0.69 0.00 1.49 0.00 0.00 0.00 179.25 181.25 1wyq h GLU 75 N 0.58 0.00 0.00 0.00 4.22 -0.50 0.70 114.58 119.57 1wyq h GLU 75 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1wyq h GLU 75 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wyq h GLU 75 CO 0.12 0.00 -0.19 1.17 -2.18 0.00 0.00 179.01 177.93 1wyq n LYS 76 N -2.36 0.10 0.13 1.92 0.00 0.62 -3.99 118.16 114.58 1wyq n LYS 76 Ca 0.02 0.04 -0.07 0.00 0.00 0.00 0.00 58.31 58.30 1wyq n LYS 76 Cb 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 35.03 34.69 1wyq n LYS 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1wyq h GLU 77 N -0.19 -0.41 -0.44 1.64 4.39 0.08 -3.18 114.58 116.48 1wyq h GLU 77 Ca 0.00 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 1wyq h GLU 77 Cb 0.19 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1wyq h GLU 77 CO 0.00 -0.27 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.45 1wyq h LEU 78 N -0.42 0.81 -0.93 1.33 3.38 -1.53 -3.48 115.31 114.46 1wyq h LEU 78 Ca -0.03 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1wyq h LEU 78 Cb 0.36 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wyq h LEU 78 CO -0.01 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1wyq n GLY 79 N -0.27 0.57 3.90 0.83 0.00 0.24 -5.00 105.19 105.46 1wyq n GLY 79 Ca -0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.93 4.36 -0.58 0.99 1.43 -0.85 -4.96 118.68 118.14 1wyq s LEU 80 Ca 0.00 0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 1wyq s LEU 80 Cb 0.00 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1wyq s LEU 80 CO 0.00 0.26 1.35 -0.89 0.23 0.00 0.00 176.35 177.30 1wyq s THR 81 N -1.32 3.83 -0.30 5.49 2.01 -1.26 -4.24 115.64 119.85 1wyq s THR 81 Ca 0.27 0.70 -0.34 0.00 0.31 0.00 0.00 61.69 62.63 1wyq s THR 81 Cb -0.13 -4.55 -0.10 0.00 0.01 0.00 0.00 72.50 67.73 1wyq s THR 81 CO 0.19 -1.28 2.16 0.29 -0.69 0.00 0.00 174.62 175.28 1wyq n LYS 82 N 8.68 1.34 -0.06 4.92 5.02 -1.26 -4.81 118.16 131.99 1wyq n LYS 82 Ca 0.11 0.38 -0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1wyq n LYS 82 Cb 0.49 -2.61 -0.15 0.00 -0.02 0.00 0.00 35.03 32.74 1wyq n LYS 82 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wyq n LEU 83 N 9.80 0.71 0.00 -0.35 4.77 -1.26 -4.99 117.00 125.68 1wyq n LEU 83 Ca 0.37 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1wyq n LEU 83 Cb 0.27 0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1wyq n LEU 83 CO 0.74 0.51 0.03 0.18 -1.33 0.00 0.00 177.39 177.52 1wyq n LEU 84 N -2.95 0.00 -4.08 2.23 4.77 -1.26 -5.14 117.00 110.57 1wyq n LEU 84 Ca -0.27 -1.70 -0.11 0.00 -0.03 0.00 0.00 56.01 53.90 1wyq n LEU 84 Cb 1.10 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 42.07 1wyq n LEU 84 CO 0.43 -0.44 -0.38 -1.81 -1.33 0.00 0.00 177.39 173.85 1wyq s ASP 85 N -2.88 0.76 0.00 -1.43 1.01 -1.26 -5.02 116.67 107.84 1wyq s ASP 85 Ca 0.17 -0.72 0.14 0.00 0.71 0.00 0.00 52.55 52.86 1wyq s ASP 85 Cb -0.01 0.09 0.86 0.00 1.01 0.00 0.00 42.92 44.87 1wyq s ASP 85 CO 0.11 -0.35 1.28 -0.81 0.21 0.00 0.00 175.17 175.61 1wyq n PRO 86 N 0.91 0.49 -0.05 8.23 -0.04 -1.26 -2.14 135.00 141.13 1wyq n PRO 86 Ca -0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.19 1wyq n PRO 86 Cb 0.57 -1.46 -0.04 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 -0.96 0.22 -0.12 0.54 1.02 -1.26 -4.28 120.64 115.79 1wyq n GLU 87 Ca 0.11 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.21 1wyq n GLU 87 Cb 0.05 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.12 0.64 -0.16 1.62 3.32 -1.95 -3.19 116.42 116.58 1wyq h ASP 88 Ca -0.22 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 1wyq h ASP 88 Cb 1.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1wyq h ASP 88 CO -0.07 0.81 0.03 0.58 -1.72 0.00 0.00 179.24 178.87 1wyq h VAL 89 N 0.46 1.21 -0.36 -1.35 2.07 -1.71 -3.39 116.25 113.18 1wyq h VAL 89 Ca 0.10 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1wyq h VAL 89 Cb 0.49 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1wyq h VAL 89 CO 0.02 0.20 0.12 0.21 0.02 0.00 0.00 177.57 178.14 1wyq s ASN 90 N -5.68 3.99 0.09 0.57 3.84 -1.21 -4.60 114.94 111.93 1wyq s ASN 90 Ca -0.14 -0.19 -0.18 0.00 0.21 0.00 0.00 52.86 52.57 1wyq s ASN 90 Cb 0.06 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.25 1wyq s ASN 90 CO 0.71 -3.86 0.43 0.54 -2.79 0.00 0.00 177.10 172.13 1wyq s VAL 91 N 14.50 0.06 0.17 -5.21 0.11 -1.26 -4.91 120.40 123.86 1wyq s VAL 91 Ca 0.88 -0.46 -0.23 0.00 -2.93 0.00 0.00 61.98 59.24 1wyq s VAL 91 Cb -0.11 -1.06 0.08 0.00 -1.53 0.00 0.00 36.38 33.76 1wyq s VAL 91 CO 0.08 -0.25 1.59 -0.78 -3.33 0.00 0.00 175.10 172.40 1wyq h ASP 92 N 2.63 -1.20 -2.92 3.54 1.82 -1.96 -3.33 116.42 115.00 1wyq h ASP 92 Ca -0.33 0.22 -0.60 0.00 -0.39 0.00 0.00 57.03 55.93 1wyq h ASP 92 Cb 1.23 0.57 -0.39 0.00 0.68 0.00 0.00 39.33 41.42 1wyq h ASP 92 CO 0.44 -0.32 -0.81 0.00 -1.61 0.00 0.00 179.24 176.94 1wyq s GLN 93 N -5.96 1.00 1.24 0.28 -2.07 -1.26 -4.73 119.66 108.15 1wyq s GLN 93 Ca -0.14 -1.84 -0.20 0.00 -1.82 0.00 0.00 55.36 51.35 1wyq s GLN 93 Cb 0.14 -1.84 0.30 0.00 -1.09 0.00 0.00 33.01 30.53 1wyq s GLN 93 CO 0.68 -1.23 1.11 -1.25 -1.32 0.00 0.00 175.29 173.28 1wyq s PRO 94 N 0.47 -1.50 -0.91 9.60 0.04 -1.25 -4.95 135.00 136.49 1wyq s PRO 94 Ca 0.21 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 1wyq s PRO 94 Cb -0.17 -1.57 0.13 0.00 0.04 0.00 0.00 34.50 32.92 1wyq s PRO 94 CO -0.04 -3.88 1.11 -0.51 0.04 0.00 0.00 177.00 173.72 1wyq s ASP 95 N -3.97 6.61 0.39 6.66 1.11 -1.26 -4.88 116.67 121.34 1wyq s ASP 95 Ca 0.72 -2.02 0.23 0.00 0.18 0.00 0.00 52.55 51.66 1wyq s ASP 95 Cb -0.08 -2.39 1.27 0.00 1.07 0.00 0.00 42.92 42.78 1wyq s ASP 95 CO 0.56 -1.06 1.65 1.05 1.18 0.00 0.00 175.17 178.54 1wyq h GLU 96 N 8.84 0.19 -0.46 8.23 4.11 -1.93 1.23 114.58 134.78 1wyq h GLU 96 Ca 0.13 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.49 1wyq h GLU 96 Cb 1.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1wyq h GLU 96 CO 1.10 0.12 0.02 0.87 0.07 0.00 0.00 179.01 181.19 1wyq h LYS 97 N 0.19 0.74 0.00 1.06 1.79 -1.89 0.32 116.57 118.77 1wyq h LYS 97 Ca 0.77 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1wyq h LYS 97 Cb 2.11 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1wyq h LYS 97 CO -0.50 0.74 0.00 0.43 -1.08 0.00 0.00 179.45 179.04 1wyq n SER 98 N -4.24 0.39 -0.12 0.86 7.64 0.41 -3.00 113.62 115.57 1wyq n SER 98 Ca 0.02 0.55 -0.16 0.00 1.01 0.00 0.00 58.87 60.30 1wyq n SER 98 Cb 0.28 -0.65 -0.13 0.00 -1.01 0.00 0.00 64.21 62.70 1wyq n SER 98 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1wyq n ILE 99 N -1.89 1.47 0.12 0.44 5.41 -0.69 -4.03 119.36 120.19 1wyq n ILE 99 Ca 0.05 -0.64 0.03 0.00 1.00 0.00 0.00 62.75 63.19 1wyq n ILE 99 Cb 0.33 -1.20 0.42 0.00 -0.71 0.00 0.00 39.64 38.48 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 0.00 1.15 -0.19 1.39 2.04 -0.43 -0.64 117.51 120.83 1wyq h ILE 100 Ca -0.57 -0.62 -0.18 0.00 1.00 0.00 0.00 64.86 64.49 1wyq h ILE 100 Cb 1.98 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1wyq h ILE 100 CO -0.06 0.20 -0.60 0.74 0.00 0.00 0.00 178.15 178.43 1wyq h THR 101 N 0.24 1.30 0.45 -0.27 2.02 -1.74 -2.81 112.91 112.10 1wyq h THR 101 Ca 0.05 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.40 1wyq h THR 101 Cb 0.28 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1wyq h THR 101 CO 0.01 0.57 -0.21 0.22 0.37 0.00 0.00 175.52 176.48 1wyq h TYR 102 N 0.45 -0.55 -0.93 3.16 5.03 -1.62 -3.16 116.97 119.34 1wyq h TYR 102 Ca -0.02 -0.01 0.27 0.00 2.58 0.00 0.00 58.73 61.55 1wyq h TYR 102 Cb 1.22 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 39.65 1wyq h TYR 102 CO 0.09 -0.34 0.78 -0.24 -1.32 0.00 0.00 178.16 177.13 1wyq h VAL 103 N -1.04 0.34 -0.97 1.81 3.04 -1.26 0.25 116.25 118.42 1wyq h VAL 103 Ca -0.06 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.73 1wyq h VAL 103 Cb 0.46 0.42 -0.07 0.00 -2.01 0.00 0.00 31.29 30.09 1wyq h VAL 103 CO 0.10 0.00 0.62 0.00 -1.01 0.00 0.00 177.57 177.28 1wyq h ALA 104 N 1.31 1.53 -0.84 3.17 0.00 -1.46 -1.55 119.26 121.42 1wyq h ALA 104 Ca 0.44 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.37 1wyq h ALA 104 Cb 2.01 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1wyq h ALA 104 CO -0.00 0.27 0.55 1.79 0.00 0.00 0.00 179.25 181.86 1wyq h THR 105 N 1.01 1.18 -0.77 0.00 1.35 -0.60 -1.43 112.91 113.65 1wyq h THR 105 Ca 0.45 -0.38 0.13 0.00 -0.55 0.00 0.00 66.41 66.06 1wyq h THR 105 Cb 0.38 -0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 66.72 1wyq h THR 105 CO -0.21 0.20 0.51 1.88 -0.25 0.00 0.00 175.52 177.65 1wyq h TYR 106 N 1.11 0.60 0.12 4.73 -1.99 -1.38 0.17 116.97 120.33 1wyq h TYR 106 Ca 0.32 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 1wyq h TYR 106 Cb -0.07 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 38.47 1wyq h TYR 106 CO -0.02 0.25 -0.06 -0.92 -0.00 0.00 0.00 178.16 177.41 1wyq h TYR 107 N 0.53 -0.15 0.20 4.88 3.20 -1.28 -3.23 116.97 121.12 1wyq h TYR 107 Ca 0.37 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 1wyq h TYR 107 Cb 0.70 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1wyq h TYR 107 CO -0.00 -0.05 -0.43 0.45 -1.64 0.00 0.00 178.16 176.49 1wyq h HIS 108 N -1.04 -1.24 -0.31 -3.82 3.86 -1.11 0.35 115.15 111.85 1wyq h HIS 108 Ca -0.02 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1wyq h HIS 108 Cb 0.16 0.51 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 1wyq h HIS 108 CO 0.01 -0.51 -0.18 0.98 0.86 0.00 0.00 177.93 179.08 1wyq n TYR 109 N -4.95 -0.14 -0.35 2.45 4.19 0.58 0.16 117.16 119.11 1wyq n TYR 109 Ca -0.08 0.39 0.03 0.00 3.31 0.00 0.00 57.90 61.55 1wyq n TYR 109 Cb 0.35 -0.49 0.18 0.00 0.49 0.00 0.00 39.34 39.87 1wyq n TYR 109 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1wyq h PHE 110 N 0.00 1.13 -0.42 2.98 0.04 -1.55 -2.52 116.94 116.61 1wyq h PHE 110 Ca 0.05 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.94 1wyq h PHE 110 Cb 0.13 -0.37 -0.09 0.00 2.20 0.00 0.00 35.95 37.82 1wyq h PHE 110 CO -0.88 0.55 -0.27 1.03 -0.60 0.00 0.00 178.31 178.14 1wyq h SER 111 N 1.08 -0.91 -0.98 2.17 0.87 0.39 -0.60 113.55 115.58 1wyq h SER 111 Ca 0.43 0.18 0.28 0.00 -1.23 0.00 0.00 61.79 61.45 1wyq h SER 111 Cb 0.25 0.45 -0.18 0.00 -0.44 0.00 0.00 62.40 62.48 1wyq h SER 111 CO -0.20 -0.28 0.05 0.29 -0.53 0.00 0.00 176.83 176.16 1wyq n LYS 112 N -5.41 -0.08 -1.43 2.24 4.76 -0.22 -3.37 118.16 114.65 1wyq n LYS 112 Ca 0.02 1.45 -0.50 0.00 -2.87 0.00 0.00 58.31 56.42 1wyq n LYS 112 Cb 0.32 -2.33 -0.08 0.00 -1.84 0.00 0.00 35.03 31.10 1wyq n LYS 112 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1wyq n MET 113 N -5.44 0.85 -2.81 1.97 2.81 -0.23 0.39 117.12 114.66 1wyq n MET 113 Ca 0.24 0.21 -0.22 0.00 -1.81 0.00 0.00 57.70 56.12 1wyq n MET 113 Cb 0.78 -2.34 0.02 0.00 -0.71 0.00 0.00 33.22 30.97 1wyq n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1wyq n LYS 114 N 8.21 -3.81 -1.09 0.03 4.81 -1.26 -4.84 118.16 120.20 1wyq n LYS 114 Ca 0.45 0.93 -0.40 0.00 -0.87 0.00 0.00 58.31 58.42 1wyq n LYS 114 Cb 0.20 -5.70 -0.04 0.00 0.02 0.00 0.00 35.03 29.52 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq n ALA 115 N -3.04 -2.62 -4.11 3.14 0.00 0.16 -4.96 120.51 109.08 1wyq n ALA 115 Ca -0.15 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 1wyq n ALA 115 Cb 0.64 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 1wyq n ALA 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1wyq n LEU 116 N 1.35 0.00 -4.89 0.00 -0.00 -1.26 -5.09 117.00 107.11 1wyq n LEU 116 Ca 0.14 -2.19 -0.32 0.00 -0.00 0.00 0.00 56.01 53.65 1wyq n LEU 116 Cb 0.13 0.09 -0.05 0.00 -0.00 0.00 0.00 43.42 43.60 1wyq n LEU 116 CO 0.44 -0.43 0.08 0.00 -0.00 0.00 0.00 177.39 177.49 1wyq s ALA 117 N -2.60 3.73 -0.23 1.47 0.00 -1.26 -5.08 121.76 117.79 1wyq s ALA 117 Ca 0.13 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1wyq s ALA 117 Cb -0.01 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1wyq s ALA 117 CO 0.08 0.62 0.29 0.08 0.00 0.00 0.00 175.76 176.83 1wyq s VAL 118 N -1.71 5.27 0.23 0.00 1.01 -1.26 -5.08 120.40 118.86 1wyq s VAL 118 Ca 0.43 0.44 0.10 0.00 0.00 0.00 0.00 61.98 62.95 1wyq s VAL 118 Cb -0.12 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1wyq s VAL 118 CO 0.24 0.28 -0.19 -1.83 0.00 0.00 0.00 175.10 173.60 1wyq s GLU 119 N 1.33 1.49 0.00 2.72 -1.05 -1.26 -5.15 118.70 116.78 1wyq s GLU 119 Ca 0.13 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.33 1wyq s GLU 119 Cb -0.14 -1.52 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 1wyq s GLU 119 CO 0.07 0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.98 1wyq n GLY 120 N -0.28 5.13 3.63 -3.83 0.00 -1.26 -5.17 105.19 103.42 1wyq n GLY 120 Ca -0.08 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 2.25 0.56 0.84 1.61 2.20 -1.26 -5.17 119.74 120.77 1wyq s LYS 121 Ca 0.00 1.38 -0.12 0.00 -0.36 0.00 0.00 55.97 56.87 1wyq s LYS 121 Cb 0.00 0.79 0.09 0.00 -1.51 0.00 0.00 37.83 37.20 1wyq s LYS 121 CO 0.00 -0.19 1.15 0.45 -0.36 0.00 0.00 175.35 176.40 1wyq s SER 122 N 2.77 4.21 0.00 1.43 0.15 -1.26 -4.87 113.70 116.13 1wyq s SER 122 Ca -0.06 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1wyq s SER 122 Cb -0.11 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1wyq s SER 122 CO -0.19 -2.10 0.00 0.61 1.20 0.00 0.00 173.24 172.76 1wyq n GLY 123 N -2.78 -0.88 3.58 9.45 0.00 -1.26 -5.10 105.19 108.20 1wyq n GLY 123 Ca 0.07 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 3.04 0.19 1.61 0.04 -1.26 -4.98 135.00 133.65 1wyq s PRO 124 Ca 0.00 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1wyq s PRO 124 Cb 0.00 -4.26 -0.08 0.00 0.04 0.00 0.00 34.50 30.20 1wyq s PRO 124 CO 0.00 -2.22 0.98 -1.12 0.04 0.00 0.00 177.00 174.68 1wyq s SER 125 N 6.72 7.51 -0.04 6.66 0.01 -1.26 -4.97 113.70 128.33 1wyq s SER 125 Ca 0.71 1.95 -0.22 0.00 1.31 0.00 0.00 55.95 59.71 1wyq s SER 125 Cb -0.17 -2.60 -0.29 0.00 0.21 0.00 0.00 66.02 63.17 1wyq s SER 125 CO 0.27 0.00 0.94 -1.28 0.41 0.00 0.00 173.24 173.59 1wyq h SER 126 N 4.71 0.45 0.00 2.44 0.87 -2.08 -3.57 113.55 116.38 1wyq h SER 126 Ca -0.44 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.21 1wyq h SER 126 Cb 1.21 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1wyq h SER 126 CO 0.70 1.32 0.00 0.61 -0.53 0.00 0.00 176.83 178.92