#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 6.87 -0.32 1.61 1.04 -1.26 -4.98 113.70 116.65 1wyq s SER 2 Ca 0.00 1.95 -0.08 0.00 0.48 0.00 0.00 55.95 58.31 1wyq s SER 2 Cb 0.00 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.59 1wyq s SER 2 CO 0.00 -0.76 0.12 -0.44 0.98 0.00 0.00 173.24 173.13 1wyq s SER 3 N 2.19 5.34 0.06 7.02 0.01 -1.26 -4.97 113.70 122.09 1wyq s SER 3 Ca 0.62 -0.88 -0.15 0.00 1.31 0.00 0.00 55.95 56.85 1wyq s SER 3 Cb -0.28 -1.92 -0.25 0.00 0.21 0.00 0.00 66.02 63.79 1wyq s SER 3 CO 0.22 -0.27 1.15 1.23 0.41 0.00 0.00 173.24 175.99 1wyq h GLY 4 N 8.28 0.72 0.00 3.44 0.00 -2.05 -3.41 103.07 110.05 1wyq h GLY 4 Ca -0.28 -1.31 -0.16 0.00 0.00 0.00 0.00 47.33 45.58 1wyq h GLY 4 CO 0.62 1.15 -1.44 -1.14 0.00 0.00 0.00 176.54 175.74 1wyq n SER 5 N -3.90 1.71 -4.69 0.19 3.41 -1.26 -4.96 113.62 104.12 1wyq n SER 5 Ca -0.12 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 1wyq n SER 5 Cb 0.87 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1wyq n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wyq n SER 6 N -4.17 4.06 -3.30 4.04 7.64 -1.26 -4.93 113.62 115.70 1wyq n SER 6 Ca -0.26 0.98 -0.30 0.00 1.01 0.00 0.00 58.87 60.30 1wyq n SER 6 Cb 0.59 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.20 1wyq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyq n GLY 7 N 4.27 5.32 3.76 0.23 0.00 -1.26 -4.64 105.19 112.87 1wyq n GLY 7 Ca 0.18 -2.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.15 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq s ALA 8 N -3.12 3.94 -1.14 4.61 0.00 -1.26 -4.72 121.76 120.07 1wyq s ALA 8 Ca 0.43 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 1wyq s ALA 8 Cb 0.20 -0.10 0.14 0.00 0.00 0.00 0.00 23.12 23.35 1wyq s ALA 8 CO -0.06 -0.12 0.34 0.36 0.00 0.00 0.00 175.76 176.28 1wyq n LYS 9 N -1.28 -0.83 -0.07 0.00 0.00 -1.26 -4.74 118.16 109.97 1wyq n LYS 9 Ca -0.12 0.08 -0.06 0.00 -0.00 0.00 0.00 58.31 58.21 1wyq n LYS 9 Cb 0.66 -2.84 -0.02 0.00 -0.00 0.00 0.00 35.03 32.83 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1wyq n ASP 10 N -1.23 1.75 -0.31 -5.58 5.75 -1.26 -3.56 116.55 112.12 1wyq n ASP 10 Ca 0.06 0.50 0.30 0.00 -0.01 0.00 0.00 54.79 55.64 1wyq n ASP 10 Cb 0.29 -0.80 0.55 0.00 -1.03 0.00 0.00 41.12 40.12 1wyq n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wyq n ALA 11 N -3.86 0.98 0.14 2.12 0.00 -1.26 -0.39 120.51 118.24 1wyq n ALA 11 Ca -0.09 0.93 -0.09 0.00 0.00 0.00 0.00 53.44 54.19 1wyq n ALA 11 Cb 0.34 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.36 -0.97 0.00 5.85 -1.95 -2.78 115.31 115.09 1wyq h LEU 12 Ca 0.79 -0.10 0.27 0.00 0.84 0.00 0.00 57.88 59.68 1wyq h LEU 12 Cb 2.12 0.09 -0.18 0.00 0.37 0.00 0.00 40.66 43.07 1wyq h LEU 12 CO -0.69 0.10 0.04 0.25 -0.34 0.00 0.00 178.44 177.81 1wyq h LEU 13 N -1.05 -0.44 -0.56 2.25 5.85 -0.77 0.79 115.31 121.38 1wyq h LEU 13 Ca -0.04 0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1wyq h LEU 13 Cb 0.44 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1wyq h LEU 13 CO 0.07 -0.34 0.16 0.25 -0.34 0.00 0.00 178.44 178.24 1wyq h LEU 14 N 0.02 0.83 0.06 2.25 5.85 -1.33 -2.39 115.31 120.61 1wyq h LEU 14 Ca 0.59 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 59.10 1wyq h LEU 14 Cb 1.22 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1wyq h LEU 14 CO -0.90 0.83 -0.43 -0.25 -0.34 0.00 0.00 178.44 177.36 1wyq h TRP 15 N 0.79 -1.26 -0.92 1.25 7.01 0.88 0.11 115.95 123.81 1wyq h TRP 15 Ca 0.18 0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.32 1wyq h TRP 15 Cb 0.31 0.54 -0.08 0.00 -2.10 0.00 0.00 29.16 27.83 1wyq h TRP 15 CO 0.02 -0.48 0.56 0.00 -2.79 0.00 0.00 178.44 175.75 1wyq h GLN 17 N 0.89 0.36 -0.00 0.00 4.20 -0.79 0.23 115.11 120.00 1wyq h GLN 17 Ca 0.45 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.09 1wyq h GLN 17 Cb 0.44 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wyq h GLN 17 CO -0.26 0.28 -0.15 0.52 -0.67 0.00 0.00 178.83 178.55 1wyq h MET 18 N 0.36 0.11 0.28 1.46 2.86 0.13 -2.59 114.93 117.54 1wyq h MET 18 Ca 0.09 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wyq h MET 18 Cb 0.04 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1wyq h MET 18 CO -0.01 0.86 -0.13 0.87 1.06 0.00 0.00 176.91 179.55 1wyq h LYS 19 N -0.60 -0.36 0.00 1.72 1.79 -0.95 -2.53 116.57 115.65 1wyq h LYS 19 Ca -0.02 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1wyq h LYS 19 Cb 0.91 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1wyq h LYS 19 CO 0.03 -0.11 0.00 1.79 -1.08 0.00 0.00 179.45 180.08 1wyq h THR 20 N -0.57 0.00 -1.36 -0.16 1.35 -0.68 -3.44 112.91 108.04 1wyq h THR 20 Ca -0.04 -0.06 -0.72 0.00 -0.55 0.00 0.00 66.41 65.04 1wyq h THR 20 Cb 0.42 0.85 0.06 0.00 -1.73 0.00 0.00 68.15 67.75 1wyq h THR 20 CO 0.06 0.00 0.15 0.00 -0.25 0.00 0.00 175.52 175.48 1wyq n ALA 21 N -1.95 -2.30 0.00 6.62 0.00 -0.95 -2.17 120.51 119.75 1wyq n ALA 21 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1wyq n ALA 21 Cb 0.09 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 1.93 3.19 3.66 0.00 0.00 -1.26 -5.05 105.19 107.65 1wyq n GLY 22 Ca 0.18 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.14 2.67 0.28 1.61 2.02 -0.92 -4.91 117.35 117.96 1wyq s TYR 23 Ca 0.00 0.85 0.06 0.00 -0.37 0.00 0.00 57.07 57.61 1wyq s TYR 23 Cb 0.00 -3.60 0.41 0.00 -0.40 0.00 0.00 41.96 38.37 1wyq s TYR 23 CO 0.00 -2.11 1.67 -1.00 -1.57 0.00 0.00 175.55 172.54 1wyq h PRO 24 N 8.53 0.22 -0.80 -1.71 0.13 -1.97 -2.77 132.00 133.64 1wyq h PRO 24 Ca -0.29 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1wyq h PRO 24 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1wyq h PRO 24 CO 0.97 0.64 0.00 0.09 -0.23 0.00 0.00 178.00 179.47 1wyq n ASN 25 N -3.98 2.73 -4.17 1.44 3.02 -1.26 -4.84 115.26 108.20 1wyq n ASN 25 Ca -0.02 -2.33 -0.18 0.00 -0.03 0.00 0.00 54.58 52.03 1wyq n ASN 25 Cb 0.51 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 39.02 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wyq s VAL 26 N -1.68 1.07 -0.30 2.41 1.01 -1.05 -4.94 120.40 116.92 1wyq s VAL 26 Ca 0.21 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 1wyq s VAL 26 Cb 0.16 -1.07 0.18 0.00 0.00 0.00 0.00 36.38 35.64 1wyq s VAL 26 CO 0.07 -0.26 1.01 0.21 0.00 0.00 0.00 175.10 176.12 1wyq s ASN 27 N -1.80 -0.55 -1.12 3.32 3.84 -1.26 -4.88 114.94 112.49 1wyq s ASN 27 Ca -0.02 0.47 -0.06 0.00 0.21 0.00 0.00 52.86 53.46 1wyq s ASN 27 Cb -0.09 1.51 0.28 0.00 -0.55 0.00 0.00 41.25 42.40 1wyq s ASN 27 CO 0.02 -0.10 1.50 0.52 -2.79 0.00 0.00 177.10 176.24 1wyq n VAL 28 N 5.28 5.03 0.00 -5.21 0.31 -1.26 -4.66 118.33 117.83 1wyq n VAL 28 Ca -0.07 -5.56 0.05 0.00 -0.01 0.00 0.00 64.34 58.75 1wyq n VAL 28 Cb 0.53 -2.21 -0.12 0.00 -0.91 0.00 0.00 33.84 31.13 1wyq n VAL 28 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1wyq n HIS 29 N 2.09 0.38 -4.34 3.52 -0.00 -1.26 -4.71 115.22 110.91 1wyq n HIS 29 Ca 0.28 0.12 -0.21 0.00 -0.00 0.00 0.00 57.72 57.91 1wyq n HIS 29 Cb 0.35 -0.79 -0.08 0.00 -0.00 0.00 0.00 29.99 29.47 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 -5.09 1.92 -0.16 0.26 4.22 -1.26 -4.66 114.94 110.17 1wyq s ASN 30 Ca -0.06 -1.74 0.14 0.00 -2.14 0.00 0.00 52.86 49.06 1wyq s ASN 30 Cb 0.11 0.55 0.36 0.00 1.28 0.00 0.00 41.25 43.55 1wyq s ASN 30 CO 0.85 -1.03 1.19 0.49 -2.04 0.00 0.00 177.10 176.56 1wyq n PHE 31 N -0.69 0.00 0.03 1.54 3.72 -1.26 -4.45 117.46 116.35 1wyq n PHE 31 Ca 0.04 -1.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 1wyq n PHE 31 Cb 0.63 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.12 0.17 0.83 4.37 -2.24 -1.26 -3.92 114.28 111.12 1wyq n THR 32 Ca 0.17 0.06 0.05 0.00 -2.27 0.00 0.00 64.05 62.05 1wyq n THR 32 Cb 0.70 -0.65 0.15 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.78 0.58 -0.02 4.28 -2.24 -1.26 -2.85 114.28 109.98 1wyq n THR 33 Ca 0.00 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 1wyq n THR 33 Cb 0.00 0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.17 1wyq n THR 33 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wyq n SER 34 N 0.38 0.21 -0.02 3.42 7.64 -1.26 -4.39 113.62 119.60 1wyq n SER 34 Ca 0.11 0.09 0.02 0.00 1.01 0.00 0.00 58.87 60.09 1wyq n SER 34 Cb 0.35 1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 64.80 1wyq n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wyq n TRP 35 N -2.54 0.00 -0.24 1.43 7.02 -1.24 -4.23 117.44 117.64 1wyq n TRP 35 Ca -0.13 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.54 1wyq n TRP 35 Cb 0.79 0.00 0.51 0.00 -2.42 0.00 0.00 31.31 30.19 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 0.07 0.39 0.19 -0.99 2.43 -1.73 -0.05 114.38 114.70 1wyq h ARG 36 Ca 0.00 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.84 1wyq h ARG 36 Cb 0.09 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1wyq h ARG 36 CO 0.00 0.26 -1.38 0.22 -1.51 0.00 0.00 179.97 177.56 1wyq h ASP 37 N 0.40 0.64 0.00 -3.80 3.58 -1.84 -3.39 116.42 112.02 1wyq h ASP 37 Ca 0.47 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1wyq h ASP 37 Cb 1.18 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1wyq h ASP 37 CO -0.18 1.54 0.00 0.61 -2.88 0.00 0.00 179.24 178.34 1wyq n GLY 38 N 1.63 2.82 0.27 -0.78 0.00 -0.03 -4.28 105.19 104.82 1wyq n GLY 38 Ca -0.13 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.26 -0.26 0.99 4.77 -1.26 0.52 117.00 121.50 1wyq n LEU 39 Ca 0.00 1.29 -0.07 0.00 -0.03 0.00 0.00 56.01 57.20 1wyq n LEU 39 Cb 0.00 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1wyq n LEU 39 CO 0.00 -1.25 0.57 0.00 -1.33 0.00 0.00 177.39 175.38 1wyq h ALA 40 N 1.50 -0.24 -0.67 -1.18 0.00 -1.90 0.32 119.26 117.10 1wyq h ALA 40 Ca 0.37 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1wyq h ALA 40 Cb 0.58 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1wyq h ALA 40 CO -0.77 -0.79 0.43 0.74 0.00 0.00 0.00 179.25 178.85 1wyq h PHE 41 N -0.16 0.86 0.00 0.00 0.04 -0.26 -0.37 116.94 117.05 1wyq h PHE 41 Ca 0.21 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1wyq h PHE 41 Cb 0.55 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1wyq h PHE 41 CO -0.76 0.56 0.00 0.09 -0.60 0.00 0.00 178.31 177.60 1wyq n ASN 42 N -4.59 0.00 -0.03 2.17 3.02 0.27 -2.13 115.26 113.96 1wyq n ASN 42 Ca 0.05 -0.46 0.03 0.00 -0.03 0.00 0.00 54.58 54.18 1wyq n ASN 42 Cb 0.03 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.05 2.30 -0.05 5.41 0.00 0.86 -3.73 120.51 124.25 1wyq n ALA 43 Ca 0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 1wyq n ALA 43 Cb 0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 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 0.00 0.96 0.00 0.00 2.04 -1.18 -2.89 117.51 116.43 1wyq h ILE 44 Ca -0.19 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 63.98 1wyq h ILE 44 Cb 1.45 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1wyq h ILE 44 CO 0.01 0.32 -0.07 0.58 0.00 0.00 0.00 178.15 178.99 1wyq h VAL 45 N -0.99 0.30 0.05 1.67 2.07 -1.78 -2.27 116.25 115.30 1wyq h VAL 45 Ca -0.00 -0.47 -0.24 0.00 0.82 0.00 0.00 66.70 66.80 1wyq h VAL 45 Cb 0.54 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1wyq h VAL 45 CO 0.00 0.07 -1.05 -0.74 0.02 0.00 0.00 177.57 175.88 1wyq h HIS 46 N 0.00 0.59 -0.05 1.57 6.17 -1.66 1.11 115.15 122.89 1wyq h HIS 46 Ca -0.00 -0.36 -0.18 0.00 0.71 0.00 0.00 60.37 60.54 1wyq h HIS 46 Cb 0.35 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.22 1wyq h HIS 46 CO 0.00 1.20 -0.75 -0.22 0.71 0.00 0.00 177.93 178.88 1wyq h LYS 47 N 0.18 0.30 0.01 5.26 1.63 -1.22 -2.63 116.57 120.11 1wyq h LYS 47 Ca -0.10 -0.25 -0.35 0.00 -0.85 0.00 0.00 60.65 59.10 1wyq h LYS 47 Cb 1.71 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 33.35 1wyq h LYS 47 CO 0.18 0.91 -1.92 0.72 -3.45 0.00 0.00 179.45 175.90 1wyq n HIS 48 N -3.79 0.59 -3.53 1.91 -0.00 -0.90 -4.76 115.22 104.74 1wyq n HIS 48 Ca -0.04 0.22 -0.27 0.00 -0.00 0.00 0.00 57.72 57.64 1wyq n HIS 48 Cb 0.72 -1.06 -0.10 0.00 -0.00 0.00 0.00 29.99 29.55 1wyq n HIS 48 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1wyq n ARG 49 N -4.17 1.15 0.00 -0.41 3.00 0.38 -4.93 116.66 111.69 1wyq n ARG 49 Ca -0.42 -3.83 0.06 0.00 -0.00 0.00 0.00 57.85 53.67 1wyq n ARG 49 Cb 0.82 -1.88 0.38 0.00 0.00 0.00 0.00 32.46 31.78 1wyq n ARG 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1wyq n PRO 50 N 2.02 0.49 -0.02 -0.14 -0.04 -0.99 -2.93 135.00 133.39 1wyq n PRO 50 Ca 0.25 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 1wyq n PRO 50 Cb 0.44 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1wyq n PRO 50 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wyq h ASP 51 N 0.00 0.95 0.79 3.54 1.82 -1.87 -3.34 116.42 118.31 1wyq h ASP 51 Ca 0.00 -0.64 -0.04 0.00 -0.39 0.00 0.00 57.03 55.96 1wyq h ASP 51 Cb 0.00 -0.28 0.01 0.00 0.68 0.00 0.00 39.33 39.73 1wyq h ASP 51 CO 0.00 1.44 -0.38 -0.07 -1.61 0.00 0.00 179.24 178.63 1wyq h LEU 52 N 0.53 -0.89 -9.68 2.28 3.38 -1.86 -3.46 115.31 105.62 1wyq h LEU 52 Ca -0.06 0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.31 1wyq h LEU 52 Cb 1.44 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 42.29 1wyq h LEU 52 CO 0.17 -0.56 -0.57 -1.48 0.09 0.00 0.00 178.44 176.08 1wyq s LEU 53 N -9.81 2.52 -0.44 1.67 2.34 -1.25 -5.12 118.68 108.59 1wyq s LEU 53 Ca -0.17 -1.48 0.03 0.00 0.06 0.00 0.00 54.13 52.57 1wyq s LEU 53 Cb 0.02 -0.70 0.15 0.00 -0.56 0.00 0.00 46.19 45.11 1wyq s LEU 53 CO 0.54 -0.63 0.30 -1.81 -1.06 0.00 0.00 176.35 173.68 1wyq s ASP 54 N -3.71 2.80 0.34 1.48 1.01 -1.26 -4.60 116.67 112.73 1wyq s ASP 54 Ca 0.26 -2.80 0.25 0.00 0.71 0.00 0.00 52.55 50.97 1wyq s ASP 54 Cb 0.07 -0.71 1.16 0.00 1.01 0.00 0.00 42.92 44.44 1wyq s ASP 54 CO 0.13 -0.22 1.22 0.33 0.21 0.00 0.00 175.17 176.84 1wyq n PHE 55 N 3.25 0.57 -0.08 4.23 7.35 -1.26 0.21 117.46 131.74 1wyq n PHE 55 Ca 0.18 0.58 -0.09 0.00 -0.76 0.00 0.00 57.45 57.36 1wyq n PHE 55 Cb 0.40 -0.99 -0.02 0.00 0.35 0.00 0.00 39.48 39.23 1wyq n PHE 55 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1wyq h GLU 56 N 0.00 0.35 -0.10 -4.13 4.11 -1.97 -2.67 114.58 110.17 1wyq h GLU 56 Ca 0.69 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.94 1wyq h GLU 56 Cb 2.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 1wyq h GLU 56 CO -0.38 0.23 -0.59 1.03 0.07 0.00 0.00 179.01 179.37 1wyq h SER 57 N 0.37 0.39 -4.25 3.06 0.87 0.21 -3.45 113.55 110.75 1wyq h SER 57 Ca 0.11 -0.22 -0.51 0.00 -1.23 0.00 0.00 61.79 59.94 1wyq h SER 57 Cb -0.03 -0.11 0.14 0.00 -0.44 0.00 0.00 62.40 61.96 1wyq h SER 57 CO -0.03 0.89 0.30 -0.76 -0.53 0.00 0.00 176.83 176.70 1wyq s LEU 58 N -8.06 2.81 0.00 2.23 1.43 -0.54 -5.07 118.68 111.48 1wyq s LEU 58 Ca -0.05 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1wyq s LEU 58 Cb 0.12 -4.35 -0.00 0.00 0.03 0.00 0.00 46.19 41.98 1wyq s LEU 58 CO 0.81 -2.24 0.04 2.29 0.23 0.00 0.00 176.35 177.49 1wyq n LYS 59 N -3.65 1.03 0.00 1.70 2.85 -1.26 -4.92 118.16 113.92 1wyq n LYS 59 Ca 0.09 -2.01 0.07 0.00 -1.05 0.00 0.00 58.31 55.40 1wyq n LYS 59 Cb 0.54 0.80 0.01 0.00 -0.65 0.00 0.00 35.03 35.72 1wyq n LYS 59 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1wyq n LYS 60 N -0.62 1.69 -0.07 -1.58 0.00 -1.26 -4.56 118.16 111.76 1wyq n LYS 60 Ca -0.08 -0.85 -0.12 0.00 -0.00 0.00 0.00 58.31 57.27 1wyq n LYS 60 Cb 0.35 -1.24 -0.10 0.00 -0.00 0.00 0.00 35.03 34.05 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wyq s ASN 62 N -6.14 6.59 -0.10 0.00 3.04 -1.26 -4.88 114.94 112.18 1wyq s ASN 62 Ca -0.16 0.68 -0.11 0.00 0.04 0.00 0.00 52.86 53.31 1wyq s ASN 62 Cb -0.01 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.12 1wyq s ASN 62 CO 0.51 -1.25 -0.21 0.00 -3.04 0.00 0.00 177.10 173.11 1wyq n ALA 63 N 7.99 0.72 -0.28 1.71 0.00 -1.26 -3.89 120.51 125.50 1wyq n ALA 63 Ca 0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 1wyq n ALA 63 Cb 0.48 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.97 1wyq n ALA 63 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wyq n HIS 64 N -3.72 -0.03 -0.11 0.00 -0.00 -1.26 0.12 115.22 110.22 1wyq n HIS 64 Ca -0.08 0.88 -0.10 0.00 -0.00 0.00 0.00 57.72 58.42 1wyq n HIS 64 Cb 0.31 -0.73 -0.02 0.00 -0.00 0.00 0.00 29.99 29.55 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 0.51 -0.55 1.57 5.03 -1.94 -1.35 116.97 120.24 1wyq h TYR 65 Ca 0.23 -0.04 0.09 0.00 2.58 0.00 0.00 58.73 61.58 1wyq h TYR 65 Cb 0.40 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 1wyq h TYR 65 CO -0.64 0.50 0.37 -0.91 -1.32 0.00 0.00 178.16 176.15 1wyq h ASN 66 N 0.38 0.35 0.04 -2.11 4.21 0.82 -0.21 115.58 119.06 1wyq h ASN 66 Ca 0.11 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.62 1wyq h ASN 66 Cb 0.21 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1wyq h ASN 66 CO -0.01 0.21 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.26 1wyq h LEU 67 N 0.39 -0.05 -0.86 1.61 3.38 0.15 -2.88 115.31 117.04 1wyq h LEU 67 Ca 0.25 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.44 1wyq h LEU 67 Cb 0.48 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.09 1wyq h LEU 67 CO -0.07 0.04 0.04 0.06 0.09 0.00 0.00 178.44 178.61 1wyq h GLN 68 N -0.22 0.09 0.19 1.13 3.07 -1.22 0.12 115.11 118.27 1wyq h GLN 68 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.74 1wyq h GLN 68 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 1wyq h GLN 68 CO 0.01 0.06 -0.30 -0.97 0.09 0.00 0.00 178.83 177.72 1wyq h ASN 69 N 0.09 -0.83 0.03 0.06 -1.24 -1.17 0.12 115.58 112.64 1wyq h ASN 69 Ca 0.50 0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.61 1wyq h ASN 69 Cb 0.94 0.30 -0.03 0.00 0.73 0.00 0.00 38.32 40.27 1wyq h ASN 69 CO -0.76 -0.40 -0.14 0.00 -1.29 0.00 0.00 177.43 174.84 1wyq h ALA 70 N 0.07 -0.19 -0.43 1.57 0.00 -0.76 0.19 119.26 119.71 1wyq h ALA 70 Ca 0.01 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1wyq h ALA 70 Cb 0.56 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1wyq h ALA 70 CO -0.13 -0.64 0.04 0.74 0.00 0.00 0.00 179.25 179.26 1wyq h PHE 71 N -0.25 0.04 0.63 0.00 0.04 -0.66 -0.63 116.94 116.11 1wyq h PHE 71 Ca 0.04 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1wyq h PHE 71 Cb 0.29 0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.50 1wyq h PHE 71 CO -0.18 -0.05 -0.30 -0.91 -0.60 0.00 0.00 178.31 176.27 1wyq h ASN 72 N 0.15 -0.72 -1.01 2.17 2.35 -0.44 0.20 115.58 118.29 1wyq h ASN 72 Ca 0.21 0.02 0.36 0.00 -0.55 0.00 0.00 56.30 56.35 1wyq h ASN 72 Cb 0.29 0.19 -0.16 0.00 0.05 0.00 0.00 38.32 38.69 1wyq h ASN 72 CO -0.32 -0.44 0.56 -0.07 -1.65 0.00 0.00 177.43 175.51 1wyq h LEU 73 N -0.98 0.44 -0.16 1.61 3.38 -0.52 1.44 115.31 120.51 1wyq h LEU 73 Ca -0.09 0.22 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1wyq h LEU 73 Cb 0.65 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1wyq h LEU 73 CO 0.14 -0.26 -0.94 0.00 0.09 0.00 0.00 178.44 177.48 1wyq h ALA 74 N 1.90 0.46 0.00 1.53 0.00 -0.99 0.42 119.26 122.58 1wyq h ALA 74 Ca 0.78 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wyq h ALA 74 Cb 1.92 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1wyq h ALA 74 CO -0.67 1.10 -0.09 -1.91 0.00 0.00 0.00 179.25 177.68 1wyq n GLU 75 N -3.49 0.26 -0.07 0.00 0.00 0.42 -0.33 120.64 117.44 1wyq n GLU 75 Ca -0.01 0.19 -0.14 0.00 0.00 0.00 0.00 57.16 57.19 1wyq n GLU 75 Cb 0.87 -1.78 -0.05 0.00 0.00 0.00 0.00 31.44 30.49 1wyq n GLU 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1wyq n LYS 76 N -2.21 0.35 0.01 5.31 4.81 0.26 -4.08 118.16 122.61 1wyq n LYS 76 Ca 0.05 0.15 -0.01 0.00 -0.87 0.00 0.00 58.31 57.64 1wyq n LYS 76 Cb 0.43 -1.10 -0.00 0.00 0.02 0.00 0.00 35.03 34.37 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 -0.62 -0.03 -0.39 1.64 4.39 -0.31 -3.35 114.58 115.90 1wyq h GLU 77 Ca -0.28 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 1wyq h GLU 77 Cb 1.11 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 1wyq h GLU 77 CO -0.17 -0.02 0.07 -0.07 -1.16 0.00 0.00 179.01 177.66 1wyq h LEU 78 N -0.05 0.61 -0.04 1.33 3.38 -1.59 -3.48 115.31 115.48 1wyq h LEU 78 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wyq h LEU 78 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1wyq h LEU 78 CO 0.01 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1wyq n GLY 79 N -0.53 1.36 3.78 0.83 0.00 0.56 -5.01 105.19 106.18 1wyq n GLY 79 Ca -0.01 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.04 4.40 -0.17 0.99 1.43 -0.48 -4.95 118.68 119.86 1wyq s LEU 80 Ca 0.00 0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 1wyq s LEU 80 Cb 0.00 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1wyq s LEU 80 CO 0.00 0.17 1.46 -0.89 0.23 0.00 0.00 176.35 177.32 1wyq s THR 81 N -0.33 3.93 -0.17 5.49 2.01 -1.26 -4.00 115.64 121.31 1wyq s THR 81 Ca 0.26 1.09 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 1wyq s THR 81 Cb -0.17 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 1wyq s THR 81 CO 0.13 -0.21 2.17 -0.54 -0.69 0.00 0.00 174.62 175.48 1wyq s LYS 82 N 4.05 3.32 -0.02 4.92 1.02 -1.26 -4.82 119.74 126.96 1wyq s LYS 82 Ca 0.64 2.13 0.19 0.00 0.02 0.00 0.00 55.97 58.95 1wyq s LYS 82 Cb -0.25 -4.33 -0.21 0.00 -0.52 0.00 0.00 37.83 32.52 1wyq s LYS 82 CO 0.23 -1.89 0.56 1.28 -0.92 0.00 0.00 175.35 174.61 1wyq n LEU 83 N 10.90 0.38 0.00 3.17 4.77 -1.26 -4.99 117.00 129.97 1wyq n LEU 83 Ca 0.28 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 56.25 1wyq n LEU 83 Cb 0.44 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1wyq n LEU 83 CO 0.66 0.15 -0.12 0.18 -1.33 0.00 0.00 177.39 176.93 1wyq n LEU 84 N -2.64 0.00 -4.08 2.23 4.77 -1.26 -5.11 117.00 110.91 1wyq n LEU 84 Ca -0.13 -1.65 -0.13 0.00 -0.03 0.00 0.00 56.01 54.08 1wyq n LEU 84 Cb 0.80 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.96 1wyq n LEU 84 CO 0.44 -0.24 -0.40 -1.81 -1.33 0.00 0.00 177.39 174.05 1wyq s ASP 85 N -2.45 0.91 0.00 -1.43 1.01 -1.26 -5.03 116.67 108.42 1wyq s ASP 85 Ca 0.00 -0.63 0.14 0.00 0.71 0.00 0.00 52.55 52.78 1wyq s ASP 85 Cb -0.00 0.05 0.67 0.00 1.01 0.00 0.00 42.92 44.65 1wyq s ASP 85 CO 0.00 -0.25 1.43 -0.81 0.21 0.00 0.00 175.17 175.76 1wyq n PRO 86 N 1.21 0.10 0.00 8.23 -0.04 -1.26 -1.76 135.00 141.48 1wyq n PRO 86 Ca -0.21 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1wyq n PRO 86 Cb 0.56 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1wyq n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wyq n GLU 87 N -1.40 2.02 -0.07 0.54 0.28 -1.26 -4.10 120.64 116.65 1wyq n GLU 87 Ca 0.05 -0.62 -0.08 0.00 -0.16 0.00 0.00 57.16 56.35 1wyq n GLU 87 Cb 0.14 -1.09 -0.11 0.00 1.43 0.00 0.00 31.44 31.81 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wyq n ASP 88 N -0.23 1.42 0.03 -1.84 8.00 -0.84 -4.52 116.55 118.57 1wyq n ASP 88 Ca 0.04 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.46 1wyq n ASP 88 Cb 0.22 0.80 -0.13 0.00 -0.02 0.00 0.00 41.12 41.99 1wyq n ASP 88 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1wyq h VAL 89 N 0.00 1.36 -0.76 2.53 2.07 -1.58 -3.41 116.25 116.46 1wyq h VAL 89 Ca -0.40 -3.12 -0.54 0.00 0.82 0.00 0.00 66.70 63.45 1wyq h VAL 89 Cb 1.90 2.68 -0.07 0.00 -1.52 0.00 0.00 31.29 34.28 1wyq h VAL 89 CO 0.02 0.78 1.70 0.21 0.02 0.00 0.00 177.57 180.30 1wyq s ASN 90 N -6.48 6.15 0.10 0.57 3.84 -1.26 -4.51 114.94 113.35 1wyq s ASN 90 Ca -0.02 -2.00 -0.10 0.00 0.21 0.00 0.00 52.86 50.95 1wyq s ASN 90 Cb 0.09 -2.58 0.01 0.00 -0.55 0.00 0.00 41.25 38.22 1wyq s ASN 90 CO 0.82 -1.88 0.24 0.54 -2.79 0.00 0.00 177.10 174.03 1wyq s VAL 91 N 6.73 0.12 0.16 -5.21 0.11 -1.26 -4.95 120.40 116.10 1wyq s VAL 91 Ca 0.58 -1.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.33 1wyq s VAL 91 Cb 0.02 -1.35 0.06 0.00 -1.53 0.00 0.00 36.38 33.57 1wyq s VAL 91 CO 0.07 -0.55 1.60 0.44 -3.33 0.00 0.00 175.10 173.34 1wyq h ASP 92 N 2.65 -1.00 -2.88 3.54 5.19 -1.98 -3.33 116.42 118.61 1wyq h ASP 92 Ca -0.34 0.18 -0.60 0.00 -0.62 0.00 0.00 57.03 55.66 1wyq h ASP 92 Cb 1.21 0.48 -0.39 0.00 0.18 0.00 0.00 39.33 40.81 1wyq h ASP 92 CO 0.54 -0.31 -0.82 -1.10 -3.12 0.00 0.00 179.24 174.43 1wyq s GLN 93 N -6.03 1.08 0.00 3.56 -0.21 -1.26 -4.76 119.66 112.04 1wyq s GLN 93 Ca -0.15 -1.96 0.00 0.00 0.02 0.00 0.00 55.36 53.27 1wyq s GLN 93 Cb 0.14 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.26 1wyq s GLN 93 CO 0.68 -1.25 0.00 -0.35 -2.12 0.00 0.00 175.29 172.25 1wyq n PRO 94 N 3.35 -0.98 -3.35 2.91 -0.04 -1.25 -4.98 135.00 130.66 1wyq n PRO 94 Ca 0.16 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.17 1wyq n PRO 94 Cb 0.39 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.80 1wyq n PRO 94 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyq s ASP 95 N -1.51 6.24 0.42 3.54 1.01 -1.26 -4.92 116.67 120.18 1wyq s ASP 95 Ca 0.00 -2.02 0.20 0.00 0.71 0.00 0.00 52.55 51.44 1wyq s ASP 95 Cb 0.00 -2.18 1.15 0.00 1.01 0.00 0.00 42.92 42.90 1wyq s ASP 95 CO 0.00 -0.77 1.79 1.05 0.21 0.00 0.00 175.17 177.44 1wyq h GLU 96 N 8.57 0.34 -0.12 8.23 9.09 -1.94 0.57 114.58 139.32 1wyq h GLU 96 Ca -0.20 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.07 1wyq h GLU 96 Cb 1.08 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 28.09 1wyq h GLU 96 CO 0.95 0.23 -0.45 0.87 0.05 0.00 0.00 179.01 180.66 1wyq h LYS 97 N 0.35 0.27 0.00 1.06 1.79 -1.91 0.26 116.57 118.40 1wyq h LYS 97 Ca 0.57 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1wyq h LYS 97 Cb 1.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1wyq h LYS 97 CO -0.25 0.67 0.00 0.77 -1.08 0.00 0.00 179.45 179.56 1wyq h SER 98 N 0.23 0.00 0.00 0.86 0.02 -0.28 -3.22 113.55 111.16 1wyq h SER 98 Ca 0.02 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 1wyq h SER 98 Cb 0.88 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1wyq h SER 98 CO 0.07 0.00 -1.43 -0.38 -1.14 0.00 0.00 176.83 173.95 1wyq n ILE 99 N -2.61 1.50 -0.36 3.27 5.41 -0.66 -4.10 119.36 121.81 1wyq n ILE 99 Ca 0.04 -0.02 0.31 0.00 1.00 0.00 0.00 62.75 64.08 1wyq n ILE 99 Cb 0.40 -2.20 0.58 0.00 -0.71 0.00 0.00 39.64 37.70 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 0.10 -0.21 1.39 2.04 -0.63 0.64 117.51 119.85 1wyq h ILE 100 Ca -0.22 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1wyq h ILE 100 Cb 1.15 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1wyq h ILE 100 CO -0.13 0.02 0.01 0.74 0.00 0.00 0.00 178.15 178.78 1wyq h THR 101 N 0.10 1.25 0.70 -0.27 2.02 -1.77 -2.19 112.91 112.75 1wyq h THR 101 Ca 0.82 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1wyq h THR 101 Cb 2.20 1.41 0.01 0.00 -1.74 0.00 0.00 68.15 70.03 1wyq h THR 101 CO -0.64 0.26 -0.34 0.22 0.37 0.00 0.00 175.52 175.39 1wyq h TYR 102 N 0.13 -0.88 -1.03 3.16 5.03 0.04 -2.90 116.97 120.52 1wyq h TYR 102 Ca 0.06 -0.02 0.27 0.00 2.58 0.00 0.00 58.73 61.62 1wyq h TYR 102 Cb 0.38 0.29 -0.08 0.00 1.55 0.00 0.00 36.73 38.88 1wyq h TYR 102 CO 0.03 -0.52 0.69 -0.24 -1.32 0.00 0.00 178.16 176.80 1wyq h VAL 103 N -1.11 0.53 -0.81 1.81 3.04 -1.11 0.30 116.25 118.90 1wyq h VAL 103 Ca -0.10 -0.10 0.22 0.00 -1.01 0.00 0.00 66.70 65.72 1wyq h VAL 103 Cb 0.75 0.22 -0.04 0.00 -2.01 0.00 0.00 31.29 30.21 1wyq h VAL 103 CO 0.16 0.05 0.57 0.00 -1.01 0.00 0.00 177.57 177.34 1wyq h ALA 104 N 1.57 2.66 -0.64 3.17 0.00 -1.17 0.12 119.26 124.97 1wyq h ALA 104 Ca 0.55 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.37 1wyq h ALA 104 Cb 1.61 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1wyq h ALA 104 CO -0.20 -0.90 0.12 1.79 0.00 0.00 0.00 179.25 180.06 1wyq h THR 105 N 0.06 1.26 -0.91 0.00 1.35 -0.47 -1.76 112.91 112.44 1wyq h THR 105 Ca 0.39 -0.99 0.03 0.00 -0.55 0.00 0.00 66.41 65.28 1wyq h THR 105 Cb 1.45 0.64 -0.05 0.00 -1.73 0.00 0.00 68.15 68.46 1wyq h THR 105 CO -0.03 0.37 0.60 1.88 -0.25 0.00 0.00 175.52 178.09 1wyq h TYR 106 N 0.98 1.12 0.30 4.73 -1.99 -0.88 -0.47 116.97 120.76 1wyq h TYR 106 Ca 0.20 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 1wyq h TYR 106 Cb 0.41 -0.37 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1wyq h TYR 106 CO 0.03 0.67 -0.14 -0.92 -0.00 0.00 0.00 178.16 177.79 1wyq h TYR 107 N 1.17 -0.37 0.03 4.88 3.20 -1.44 -3.10 116.97 121.35 1wyq h TYR 107 Ca 0.35 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.22 1wyq h TYR 107 Cb -0.04 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1wyq h TYR 107 CO -0.00 -0.09 -0.35 0.45 -1.64 0.00 0.00 178.16 176.53 1wyq h HIS 108 N -1.02 -1.02 -0.31 -3.82 3.86 -1.25 0.21 115.15 111.80 1wyq h HIS 108 Ca -0.04 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1wyq h HIS 108 Cb 0.45 0.44 -0.04 0.00 1.06 0.00 0.00 27.41 29.32 1wyq h HIS 108 CO 0.03 -0.38 -0.18 0.98 0.86 0.00 0.00 177.93 179.24 1wyq n TYR 109 N -4.42 -0.14 -0.34 2.45 9.36 -0.19 0.38 117.16 124.27 1wyq n TYR 109 Ca -0.05 0.39 0.12 0.00 3.32 0.00 0.00 57.90 61.68 1wyq n TYR 109 Cb 0.26 -0.51 0.33 0.00 -0.63 0.00 0.00 39.34 38.79 1wyq n TYR 109 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1wyq h PHE 110 N 0.00 1.00 -0.18 2.98 0.04 -1.44 -1.21 116.94 118.13 1wyq h PHE 110 Ca 0.05 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.86 1wyq h PHE 110 Cb 0.13 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1wyq h PHE 110 CO -0.93 0.28 0.09 1.03 -0.60 0.00 0.00 178.31 178.19 1wyq h SER 111 N 0.77 0.14 -0.14 2.17 0.87 0.33 -3.05 113.55 114.64 1wyq h SER 111 Ca 0.54 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 61.14 1wyq h SER 111 Cb 0.83 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.70 1wyq h SER 111 CO -0.31 0.11 -0.48 0.11 -0.53 0.00 0.00 176.83 175.72 1wyq h LYS 112 N 0.20 -0.52 -5.90 2.24 1.79 0.74 -3.04 116.57 112.08 1wyq h LYS 112 Ca 0.07 0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.96 1wyq h LYS 112 Cb 0.01 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1wyq h LYS 112 CO -0.05 -0.34 1.48 -1.33 -1.08 0.00 0.00 179.45 178.13 1wyq n MET 113 N -5.44 1.26 -3.15 3.15 2.81 -1.13 -0.75 117.12 113.87 1wyq n MET 113 Ca -0.05 0.31 -0.15 0.00 -1.81 0.00 0.00 57.70 56.01 1wyq n MET 113 Cb 0.37 -2.73 0.05 0.00 -0.71 0.00 0.00 33.22 30.20 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 8.46 -5.02 -1.04 0.03 4.81 -1.26 -4.98 118.16 119.16 1wyq n LYS 114 Ca 0.39 0.54 -0.29 0.00 -0.87 0.00 0.00 58.31 58.08 1wyq n LYS 114 Cb 0.31 -4.71 0.21 0.00 0.02 0.00 0.00 35.03 30.87 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq s ALA 115 N -3.21 0.57 0.39 3.14 0.00 0.07 -5.05 121.76 117.67 1wyq s ALA 115 Ca 0.30 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1wyq s ALA 115 Cb -0.13 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1wyq s ALA 115 CO 0.48 -3.31 0.58 -0.51 0.00 0.00 0.00 175.76 172.99 1wyq s LEU 116 N -6.78 3.81 -0.27 0.00 1.02 -1.26 -5.09 118.68 110.11 1wyq s LEU 116 Ca 0.68 0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.90 1wyq s LEU 116 Cb -0.16 -2.99 0.08 0.00 0.02 0.00 0.00 46.19 43.15 1wyq s LEU 116 CO 0.58 -0.56 0.06 0.00 0.02 0.00 0.00 176.35 176.45 1wyq s ALA 117 N -2.38 1.41 0.06 4.21 0.00 -1.26 -5.12 121.76 118.69 1wyq s ALA 117 Ca 0.46 -1.33 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1wyq s ALA 117 Cb -0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 1wyq s ALA 117 CO 0.35 -1.46 -0.25 0.54 0.00 0.00 0.00 175.76 174.94 1wyq s VAL 118 N 1.67 2.03 -0.08 0.00 0.11 -1.26 -5.04 120.40 117.83 1wyq s VAL 118 Ca 0.05 -1.42 -0.01 0.00 -2.93 0.00 0.00 61.98 57.67 1wyq s VAL 118 Cb -0.17 -1.76 -0.05 0.00 -1.53 0.00 0.00 36.38 32.87 1wyq s VAL 118 CO -0.18 0.26 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.15 1wyq n GLU 119 N 1.60 0.20 -1.86 1.54 -0.58 -1.26 -4.87 120.64 115.41 1wyq n GLU 119 Ca -0.17 0.06 -0.22 0.00 -0.42 0.00 0.00 57.16 56.41 1wyq n GLU 119 Cb 0.52 -1.07 -0.08 0.00 -0.57 0.00 0.00 31.44 30.25 1wyq n GLU 119 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1wyq s GLY 120 N -4.89 -0.38 -0.00 0.62 0.00 -1.26 -4.91 107.32 96.49 1wyq s GLY 120 Ca -0.11 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 42.62 1wyq s GLY 120 CO 0.18 3.87 1.12 1.25 0.00 0.00 0.00 173.10 179.52 1wyq s LYS 121 N 7.49 4.45 -0.00 2.90 2.36 -1.26 -5.04 119.74 130.64 1wyq s LYS 121 Ca 0.76 1.61 0.03 0.00 -2.55 0.00 0.00 55.97 55.81 1wyq s LYS 121 Cb -0.04 -3.45 -0.01 0.00 -1.05 0.00 0.00 37.83 33.28 1wyq s LYS 121 CO 0.12 -0.25 -0.08 0.45 1.55 0.00 0.00 175.35 177.14 1wyq s SER 122 N 1.15 0.99 -0.38 1.43 0.15 -1.26 -5.11 113.70 110.67 1wyq s SER 122 Ca 0.55 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 57.05 1wyq s SER 122 Cb -0.25 -0.11 0.15 0.00 -1.71 0.00 0.00 66.02 64.10 1wyq s SER 122 CO 0.26 0.10 0.25 -0.83 1.20 0.00 0.00 173.24 174.21 1wyq s GLY 123 N -0.24 1.08 1.17 9.45 0.00 -1.26 -5.13 107.32 112.39 1wyq s GLY 123 Ca 0.03 -2.12 -0.18 0.00 0.00 0.00 0.00 44.72 42.44 1wyq s GLY 123 CO -0.00 2.00 1.11 2.56 0.00 0.00 0.00 173.10 178.77 1wyq s PRO 124 N 0.71 -0.99 -0.18 2.90 0.04 -1.26 -5.09 135.00 131.13 1wyq s PRO 124 Ca 0.21 0.01 -0.20 0.00 0.04 0.00 0.00 61.00 61.06 1wyq s PRO 124 Cb -0.17 -1.62 0.05 0.00 0.04 0.00 0.00 34.50 32.80 1wyq s PRO 124 CO -0.04 -3.58 0.55 -1.12 0.04 0.00 0.00 177.00 172.86 1wyq s SER 125 N -3.83 -0.56 0.46 6.66 0.01 -1.26 -5.16 113.70 110.02 1wyq s SER 125 Ca 0.70 1.00 -0.22 0.00 1.31 0.00 0.00 55.95 58.74 1wyq s SER 125 Cb -0.11 1.01 -0.08 0.00 0.21 0.00 0.00 66.02 67.06 1wyq s SER 125 CO 0.56 -0.25 1.09 -0.55 0.41 0.00 0.00 173.24 174.50 1wyq s SER 126 N 0.02 6.33 0.00 2.44 0.15 -1.26 -5.38 113.70 116.01 1wyq s SER 126 Ca -0.02 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1wyq s SER 126 Cb -0.04 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1wyq s SER 126 CO 0.02 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.28