#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 -0.56 -0.06 1.61 1.04 -1.26 -5.17 113.70 109.30 1wyq s SER 2 Ca 0.00 0.74 -0.04 0.00 0.48 0.00 0.00 55.95 57.13 1wyq s SER 2 Cb 0.00 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.79 1wyq s SER 2 CO 0.00 -0.42 0.15 -0.55 0.98 0.00 0.00 173.24 173.41 1wyq s SER 3 N -0.76 -0.15 0.00 7.02 0.15 -1.26 -5.07 113.70 113.63 1wyq s SER 3 Ca -0.05 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wyq s SER 3 Cb -0.01 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1wyq s SER 3 CO 0.04 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1wyq n GLY 4 N 3.45 -1.22 3.93 9.45 0.00 -1.26 -5.15 105.19 114.38 1wyq n GLY 4 Ca -0.18 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1wyq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyq s SER 5 N 2.00 6.37 -1.12 1.61 0.01 -1.26 -5.03 113.70 116.28 1wyq s SER 5 Ca 0.00 0.35 -0.18 0.00 1.31 0.00 0.00 55.95 57.43 1wyq s SER 5 Cb 0.00 -1.99 0.11 0.00 0.21 0.00 0.00 66.02 64.35 1wyq s SER 5 CO 0.00 -0.04 1.44 -0.44 0.41 0.00 0.00 173.24 174.61 1wyq s SER 6 N -3.24 6.79 0.25 2.44 0.01 -1.26 -4.96 113.70 113.73 1wyq s SER 6 Ca 0.38 -2.31 0.06 0.00 1.31 0.00 0.00 55.95 55.39 1wyq s SER 6 Cb -0.11 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1wyq s SER 6 CO 0.29 -1.08 0.28 -0.83 0.41 0.00 0.00 173.24 172.31 1wyq s GLY 7 N 3.81 1.34 0.04 3.44 0.00 -1.26 -5.00 107.32 109.68 1wyq s GLY 7 Ca 0.44 -1.34 -0.26 0.00 0.00 0.00 0.00 44.72 43.55 1wyq s GLY 7 CO -0.02 -1.37 1.47 0.00 0.00 0.00 0.00 173.10 173.18 1wyq h ALA 8 N 1.32 -0.32 -0.50 3.20 0.00 -1.99 -0.12 119.26 120.84 1wyq h ALA 8 Ca -0.50 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.36 1wyq h ALA 8 Cb 1.24 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1wyq h ALA 8 CO 0.61 -0.58 0.05 -0.22 0.00 0.00 0.00 179.25 179.10 1wyq h LYS 9 N -0.52 0.17 -0.06 0.00 3.64 -2.00 -2.19 116.57 115.61 1wyq h LYS 9 Ca -0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1wyq h LYS 9 Cb 0.39 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1wyq h LYS 9 CO 0.05 0.11 0.03 0.22 -2.27 0.00 0.00 179.45 177.59 1wyq h ASP 10 N 0.17 0.08 -0.99 4.20 1.82 -1.92 -2.43 116.42 117.35 1wyq h ASP 10 Ca 0.25 -0.15 0.19 0.00 -0.39 0.00 0.00 57.03 56.93 1wyq h ASP 10 Cb 0.37 -0.02 -0.19 0.00 0.68 0.00 0.00 39.33 40.17 1wyq h ASP 10 CO -0.38 0.21 -0.26 0.00 -1.61 0.00 0.00 179.24 177.21 1wyq n ALA 11 N -2.19 0.20 0.13 -0.78 0.00 -0.06 -0.30 120.51 117.51 1wyq n ALA 11 Ca -0.06 1.08 -0.13 0.00 0.00 0.00 0.00 53.44 54.33 1wyq n ALA 11 Cb 0.10 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.30 -0.91 0.00 5.85 -1.39 -2.80 115.31 115.77 1wyq h LEU 12 Ca 0.46 -0.22 0.25 0.00 0.84 0.00 0.00 57.88 59.21 1wyq h LEU 12 Cb 0.71 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.68 1wyq h LEU 12 CO -1.01 0.09 0.33 0.25 -0.34 0.00 0.00 178.44 177.76 1wyq h LEU 13 N -0.73 0.15 -0.59 2.25 5.85 -0.50 0.33 115.31 122.08 1wyq h LEU 13 Ca -0.04 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1wyq h LEU 13 Cb 0.49 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1wyq h LEU 13 CO 0.06 -0.13 0.26 0.25 -0.34 0.00 0.00 178.44 178.55 1wyq h LEU 14 N 0.26 0.78 0.39 2.25 5.85 -0.62 -2.71 115.31 121.51 1wyq h LEU 14 Ca 0.59 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1wyq h LEU 14 Cb 1.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1wyq h LEU 14 CO -0.63 0.71 -0.46 -0.25 -0.34 0.00 0.00 178.44 177.48 1wyq h TRP 15 N 0.80 -1.29 -1.04 1.25 7.01 -0.08 -1.36 115.95 121.25 1wyq h TRP 15 Ca 0.20 0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.48 1wyq h TRP 15 Cb 0.15 0.51 -0.10 0.00 -2.10 0.00 0.00 29.16 27.63 1wyq h TRP 15 CO 0.00 -0.59 0.66 0.00 -2.79 0.00 0.00 178.44 175.72 1wyq h GLN 17 N 0.41 0.31 -0.39 0.00 4.20 -1.01 0.93 115.11 119.57 1wyq h GLN 17 Ca 0.60 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 59.09 1wyq h GLN 17 Cb 1.48 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 1wyq h GLN 17 CO -0.31 0.53 -0.23 0.52 -0.67 0.00 0.00 178.83 178.67 1wyq h MET 18 N 0.28 0.78 0.00 1.46 2.86 0.12 -1.11 114.93 119.33 1wyq h MET 18 Ca 0.05 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1wyq h MET 18 Cb 0.57 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1wyq h MET 18 CO 0.04 0.93 -0.00 0.87 1.06 0.00 0.00 176.91 179.81 1wyq h LYS 19 N 0.68 -0.01 0.00 1.72 1.79 -1.16 -3.25 116.57 116.34 1wyq h LYS 19 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1wyq h LYS 19 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1wyq h LYS 19 CO 0.06 0.84 0.00 0.25 -1.08 0.00 0.00 179.45 179.52 1wyq n THR 20 N -4.65 1.42 -1.65 -0.16 -2.24 0.30 -4.76 114.28 102.54 1wyq n THR 20 Ca -0.09 0.41 -0.49 0.00 -2.27 0.00 0.00 64.05 61.61 1wyq n THR 20 Cb 0.41 -1.31 -0.05 0.00 -2.10 0.00 0.00 70.33 67.28 1wyq n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyq n ALA 21 N -1.55 0.40 0.00 6.98 0.00 -0.42 -2.12 120.51 123.80 1wyq n ALA 21 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1wyq n ALA 21 Cb 0.09 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 3.35 3.20 3.64 0.00 0.00 -1.26 -5.05 105.19 109.07 1wyq n GLY 22 Ca 0.19 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.86 1wyq n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wyq n TYR 23 N 0.00 2.26 -0.10 1.61 4.01 -0.90 -4.87 117.16 119.16 1wyq n TYR 23 Ca 0.00 -0.12 -0.13 0.00 -0.16 0.00 0.00 57.90 57.49 1wyq n TYR 23 Cb 0.00 -2.71 -0.01 0.00 -0.31 0.00 0.00 39.34 36.31 1wyq n TYR 23 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1wyq h PRO 24 N 11.02 0.89 -0.92 -0.72 0.13 -1.96 -2.97 132.00 137.46 1wyq h PRO 24 Ca -0.46 -0.47 -0.11 0.00 -0.87 0.00 0.00 66.00 64.08 1wyq h PRO 24 Cb 1.26 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 1wyq h PRO 24 CO 0.95 1.12 0.14 0.09 -0.23 0.00 0.00 178.00 180.08 1wyq n ASN 25 N -4.05 3.13 -3.87 1.44 4.13 -1.26 -4.82 115.26 109.95 1wyq n ASN 25 Ca -0.02 -2.52 -0.12 0.00 1.68 0.00 0.00 54.58 53.60 1wyq n ASN 25 Cb 0.55 -0.61 -0.13 0.00 -1.54 0.00 0.00 39.78 38.05 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wyq s VAL 26 N -1.50 0.02 -0.30 2.41 1.01 -1.12 -4.93 120.40 115.99 1wyq s VAL 26 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1wyq s VAL 26 Cb 0.18 -0.11 0.15 0.00 0.00 0.00 0.00 36.38 36.59 1wyq s VAL 26 CO 0.05 -0.09 0.68 0.20 0.00 0.00 0.00 175.10 175.94 1wyq s ASN 27 N -0.25 -1.13 -0.64 3.32 0.01 -1.26 -4.79 114.94 110.20 1wyq s ASN 27 Ca -0.03 1.35 -0.17 0.00 -0.71 0.00 0.00 52.86 53.30 1wyq s ASN 27 Cb -0.02 2.21 0.14 0.00 0.41 0.00 0.00 41.25 43.99 1wyq s ASN 27 CO -0.00 -0.22 0.67 -0.69 -1.51 0.00 0.00 177.10 175.35 1wyq s VAL 28 N 2.85 5.11 -0.06 1.60 1.01 -1.26 -4.78 120.40 124.87 1wyq s VAL 28 Ca -0.00 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 60.48 1wyq s VAL 28 Cb -0.12 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1wyq s VAL 28 CO -0.19 -1.04 -0.03 1.57 0.00 0.00 0.00 175.10 175.41 1wyq n HIS 29 N 5.48 0.00 -4.45 5.22 -0.00 -1.26 -4.75 115.22 115.47 1wyq n HIS 29 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.46 1wyq n HIS 29 Cb 0.43 -0.25 -0.10 0.00 -0.00 0.00 0.00 29.99 30.07 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 -4.31 2.28 -0.27 0.26 4.22 -1.26 -4.89 114.94 110.97 1wyq s ASN 30 Ca -0.07 -1.48 0.11 0.00 -2.14 0.00 0.00 52.86 49.28 1wyq s ASN 30 Cb 0.02 0.17 0.57 0.00 1.28 0.00 0.00 41.25 43.29 1wyq s ASN 30 CO 0.17 -0.75 1.55 0.49 -2.04 0.00 0.00 177.10 176.53 1wyq n PHE 31 N -0.72 1.46 0.02 1.54 3.72 -1.26 -4.25 117.46 117.98 1wyq n PHE 31 Ca -0.03 -1.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.07 1wyq n PHE 31 Cb 0.66 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.74 0.16 -0.21 4.37 -2.24 -1.26 -3.81 114.28 110.56 1wyq n THR 32 Ca 0.33 0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1wyq n THR 32 Cb 1.11 -0.66 0.09 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.75 2.20 -0.00 4.28 -2.24 -1.26 -3.57 114.28 110.94 1wyq n THR 33 Ca 0.00 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1wyq n THR 33 Cb 0.00 -0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.36 4.78 -0.10 3.42 2.88 -1.26 -4.67 113.62 118.30 1wyq n SER 34 Ca 0.32 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.87 1wyq n SER 34 Cb 1.11 1.00 0.01 0.00 -0.75 0.00 0.00 64.21 65.58 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 -1.57 0.01 0.16 0.66 7.02 -1.24 -4.51 117.44 117.96 1wyq n TRP 35 Ca -0.00 -0.02 -0.14 0.00 -1.02 0.00 0.00 57.50 56.31 1wyq n TRP 35 Cb 0.06 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.88 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 0.50 -0.61 0.82 -0.99 2.43 -1.81 -3.18 114.38 111.53 1wyq h ARG 36 Ca 0.00 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1wyq h ARG 36 Cb 0.13 0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1wyq h ARG 36 CO 0.00 -0.41 -0.39 0.22 -1.51 0.00 0.00 179.97 177.88 1wyq h ASP 37 N -0.63 -0.93 0.00 -3.80 1.82 -1.92 -3.38 116.42 107.58 1wyq h ASP 37 Ca 0.01 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1wyq h ASP 37 Cb 0.62 0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1wyq h ASP 37 CO -0.15 -0.66 0.00 0.61 -1.61 0.00 0.00 179.24 177.43 1wyq n GLY 38 N -1.54 3.13 0.26 -0.78 0.00 -1.20 -4.17 105.19 100.89 1wyq n GLY 38 Ca -0.14 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.23 -0.13 0.99 4.77 -1.26 0.76 117.00 121.90 1wyq n LEU 39 Ca 0.00 1.25 -0.09 0.00 -0.03 0.00 0.00 56.01 57.14 1wyq n LEU 39 Cb 0.00 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1wyq n LEU 39 CO 0.00 -1.21 0.60 0.00 -1.33 0.00 0.00 177.39 175.45 1wyq h ALA 40 N 1.45 -0.31 -0.60 -1.18 0.00 -1.92 0.42 119.26 117.13 1wyq h ALA 40 Ca 0.37 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.42 1wyq h ALA 40 Cb 0.60 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1wyq h ALA 40 CO -0.74 -0.80 0.32 0.74 0.00 0.00 0.00 179.25 178.77 1wyq h PHE 41 N -0.28 0.58 0.00 0.00 0.04 0.02 0.16 116.94 117.45 1wyq h PHE 41 Ca 0.16 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1wyq h PHE 41 Cb 0.57 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1wyq h PHE 41 CO -0.60 0.28 0.00 0.09 -0.60 0.00 0.00 178.31 177.48 1wyq n ASN 42 N -4.84 0.00 -0.09 2.17 3.02 -0.31 -2.52 115.26 112.70 1wyq n ASN 42 Ca 0.07 -0.58 -0.16 0.00 -0.03 0.00 0.00 54.58 53.88 1wyq n ASN 42 Cb 0.16 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.98 1.37 -0.12 5.41 0.00 0.53 -3.57 120.51 123.16 1wyq n ALA 43 Ca 0.13 -1.05 -0.09 0.00 0.00 0.00 0.00 53.44 52.42 1wyq n ALA 43 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 1.17 0.48 0.00 2.04 -1.16 -2.64 117.51 117.41 1wyq h ILE 44 Ca -0.52 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1wyq h ILE 44 Cb 2.02 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1wyq h ILE 44 CO -0.02 0.18 -0.23 0.58 0.00 0.00 0.00 178.15 178.67 1wyq h VAL 45 N 0.43 0.00 -0.91 1.67 2.07 -1.77 -3.20 116.25 114.55 1wyq h VAL 45 Ca 0.12 -0.51 0.32 0.00 0.82 0.00 0.00 66.70 67.45 1wyq h VAL 45 Cb 0.13 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.74 1wyq h VAL 45 CO -0.01 0.00 0.28 1.57 0.02 0.00 0.00 177.57 179.42 1wyq n HIS 46 N -5.15 0.84 -0.14 1.57 -0.00 -1.23 0.15 115.22 111.26 1wyq n HIS 46 Ca -0.08 1.08 -0.06 0.00 -0.00 0.00 0.00 57.72 58.66 1wyq n HIS 46 Cb 0.25 -1.35 0.03 0.00 -0.00 0.00 0.00 29.99 28.92 1wyq n HIS 46 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1wyq h LYS 47 N 0.00 0.48 0.15 1.57 1.63 -1.50 -0.92 116.57 117.98 1wyq h LYS 47 Ca 0.67 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.44 1wyq h LYS 47 Cb 1.63 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 1wyq h LYS 47 CO -0.77 0.32 -0.07 0.45 -3.45 0.00 0.00 179.45 175.93 1wyq h HIS 48 N 0.49 -0.18 -2.97 1.91 3.86 0.15 -3.42 115.15 114.99 1wyq h HIS 48 Ca 0.18 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.78 1wyq h HIS 48 Cb 0.05 0.06 -0.40 0.00 1.06 0.00 0.00 27.41 28.18 1wyq h HIS 48 CO -0.08 0.19 -0.74 1.03 0.86 0.00 0.00 177.93 179.19 1wyq s ARG 49 N -2.82 1.32 0.00 2.45 1.81 0.11 -4.95 118.95 116.87 1wyq s ARG 49 Ca -0.10 -2.06 0.14 0.00 -1.72 0.00 0.00 55.73 51.99 1wyq s ARG 49 Cb -0.00 -2.34 0.82 0.00 -0.45 0.00 0.00 34.95 32.97 1wyq s ARG 49 CO 0.36 -1.17 1.24 -0.35 -0.68 0.00 0.00 175.30 174.69 1wyq n PRO 50 N 3.46 0.49 0.10 3.54 -0.04 -0.35 -2.77 135.00 139.43 1wyq n PRO 50 Ca 0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 1wyq n PRO 50 Cb 0.35 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 1wyq n PRO 50 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wyq h ASP 51 N 0.00 0.68 0.06 3.54 5.19 -1.92 -3.37 116.42 120.61 1wyq h ASP 51 Ca 0.00 -0.92 0.03 0.00 -0.62 0.00 0.00 57.03 55.51 1wyq h ASP 51 Cb 0.00 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.24 1wyq h ASP 51 CO 0.00 1.68 -0.39 -0.07 -3.12 0.00 0.00 179.24 177.34 1wyq h LEU 52 N 0.01 -1.15 -9.43 1.55 3.38 -1.92 -3.44 115.31 104.30 1wyq h LEU 52 Ca -0.27 0.14 -0.54 0.00 0.09 0.00 0.00 57.88 57.30 1wyq h LEU 52 Cb 2.03 0.44 -0.13 0.00 0.09 0.00 0.00 40.66 43.09 1wyq h LEU 52 CO 0.21 -0.45 -0.59 -1.48 0.09 0.00 0.00 178.44 176.22 1wyq s LEU 53 N -10.31 2.33 -0.33 1.67 2.34 -1.26 -5.13 118.68 108.00 1wyq s LEU 53 Ca -0.16 -1.44 0.01 0.00 0.06 0.00 0.00 54.13 52.60 1wyq s LEU 53 Cb 0.08 -0.50 0.10 0.00 -0.56 0.00 0.00 46.19 45.31 1wyq s LEU 53 CO 0.64 -0.64 0.09 -1.81 -1.06 0.00 0.00 176.35 173.57 1wyq s ASP 54 N -3.59 4.32 0.17 1.48 1.11 -1.26 -4.71 116.67 114.19 1wyq s ASP 54 Ca 0.32 -1.90 -0.16 0.00 0.18 0.00 0.00 52.55 50.98 1wyq s ASP 54 Cb 0.08 -1.19 0.12 0.00 1.07 0.00 0.00 42.92 42.99 1wyq s ASP 54 CO 0.15 -0.39 1.67 0.15 1.18 0.00 0.00 175.17 177.92 1wyq h PHE 55 N 7.83 -0.20 -0.13 4.23 3.04 -1.90 0.36 116.94 130.16 1wyq h PHE 55 Ca -0.09 0.04 0.04 0.00 3.98 0.00 0.00 57.97 61.93 1wyq h PHE 55 Cb 1.01 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 1wyq h PHE 55 CO 0.41 -0.18 0.22 0.93 -2.02 0.00 0.00 178.31 177.67 1wyq h GLU 56 N 0.01 0.00 0.10 1.11 5.08 -2.00 -0.62 114.58 118.26 1wyq h GLU 56 Ca 0.21 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.24 1wyq h GLU 56 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1wyq h GLU 56 CO -0.44 0.00 -1.76 1.03 -1.00 0.00 0.00 179.01 176.85 1wyq h SER 57 N 0.00 0.33 -3.40 1.42 0.87 -0.83 -3.47 113.55 108.47 1wyq h SER 57 Ca 0.06 -0.61 -0.51 0.00 -1.23 0.00 0.00 61.79 59.51 1wyq h SER 57 Cb 0.49 -0.11 0.22 0.00 -0.44 0.00 0.00 62.40 62.56 1wyq h SER 57 CO -0.00 1.53 -0.42 0.18 -0.53 0.00 0.00 176.83 177.60 1wyq n LEU 58 N -3.39 0.12 -4.01 2.23 4.77 0.13 -5.04 117.00 111.82 1wyq n LEU 58 Ca -0.23 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1wyq n LEU 58 Cb 1.05 -1.23 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 1wyq n LEU 58 CO 0.47 -3.16 -0.36 -0.54 -1.33 0.00 0.00 177.39 172.47 1wyq s LYS 59 N -3.92 0.41 -0.81 3.23 -0.14 -1.26 -5.00 119.74 112.25 1wyq s LYS 59 Ca 0.60 -0.80 -0.02 0.00 -1.36 0.00 0.00 55.97 54.39 1wyq s LYS 59 Cb -0.20 0.14 0.34 0.00 -1.68 0.00 0.00 37.83 36.43 1wyq s LYS 59 CO 0.65 -0.07 2.08 0.36 -0.76 0.00 0.00 175.35 177.61 1wyq n LYS 60 N 1.13 2.72 -0.03 1.68 0.00 -1.26 -4.39 118.16 118.00 1wyq n LYS 60 Ca -0.21 -3.41 -0.06 0.00 -0.00 0.00 0.00 58.31 54.62 1wyq n LYS 60 Cb 0.57 -2.26 -0.03 0.00 -0.00 0.00 0.00 35.03 33.31 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 -5.28 5.23 0.10 0.00 3.84 -1.26 -4.96 114.94 112.61 1wyq s ASN 62 Ca -0.09 -2.92 -0.32 0.00 0.21 0.00 0.00 52.86 49.74 1wyq s ASN 62 Cb 0.03 -1.85 -0.13 0.00 -0.55 0.00 0.00 41.25 38.75 1wyq s ASN 62 CO 0.13 -0.35 1.60 0.00 -2.79 0.00 0.00 177.10 175.69 1wyq h ALA 63 N 6.93 -0.82 -1.21 1.71 0.00 -1.88 -1.72 119.26 122.28 1wyq h ALA 63 Ca -0.01 -0.12 0.45 0.00 0.00 0.00 0.00 54.91 55.23 1wyq h ALA 63 Cb 0.94 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 1wyq h ALA 63 CO 0.72 -1.00 0.74 1.58 0.00 0.00 0.00 179.25 181.28 1wyq n HIS 64 N -5.48 0.87 0.07 0.00 -0.00 -1.26 0.21 115.22 109.63 1wyq n HIS 64 Ca -0.10 0.88 -0.16 0.00 -0.00 0.00 0.00 57.72 58.34 1wyq n HIS 64 Cb 0.38 -1.30 -0.07 0.00 -0.00 0.00 0.00 29.99 29.00 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 0.75 -0.10 1.57 5.03 -1.71 -1.92 116.97 120.59 1wyq h TYR 65 Ca 0.85 -0.42 -0.11 0.00 2.58 0.00 0.00 58.73 61.63 1wyq h TYR 65 Cb 2.56 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 40.75 1wyq h TYR 65 CO -0.01 1.25 -0.44 -0.91 -1.32 0.00 0.00 178.16 176.74 1wyq h ASN 66 N 0.27 0.24 0.02 -2.11 2.35 0.33 -2.28 115.58 114.41 1wyq h ASN 66 Ca -0.11 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1wyq h ASN 66 Cb 1.66 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1wyq h ASN 66 CO 0.18 0.66 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.54 1wyq h LEU 67 N 0.19 -0.03 -0.90 1.61 3.38 -0.53 -3.13 115.31 115.91 1wyq h LEU 67 Ca 0.01 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.23 1wyq h LEU 67 Cb 0.86 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.47 1wyq h LEU 67 CO 0.07 0.14 0.21 0.06 0.09 0.00 0.00 178.44 179.01 1wyq h GLN 68 N -0.35 0.16 -0.02 1.13 3.07 -1.47 0.12 115.11 117.75 1wyq h GLN 68 Ca -0.00 -0.01 0.03 0.00 0.09 0.00 0.00 58.65 58.76 1wyq h GLN 68 Cb 0.02 -0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.51 1wyq h GLN 68 CO 0.01 0.10 -0.20 -0.97 0.09 0.00 0.00 178.83 177.86 1wyq h ASN 69 N 0.16 -0.58 0.00 0.06 -1.24 -1.55 0.97 115.58 113.40 1wyq h ASN 69 Ca 0.57 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.67 1wyq h ASN 69 Cb 1.17 0.25 -0.00 0.00 0.73 0.00 0.00 38.32 40.47 1wyq h ASN 69 CO -0.70 -0.26 -0.02 0.00 -1.29 0.00 0.00 177.43 175.16 1wyq h ALA 70 N 0.61 -0.02 -0.45 1.57 0.00 -0.78 -0.57 119.26 119.61 1wyq h ALA 70 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1wyq h ALA 70 Cb 0.39 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1wyq h ALA 70 CO -0.20 -0.52 0.10 0.74 0.00 0.00 0.00 179.25 179.37 1wyq h PHE 71 N -0.04 0.17 -0.14 0.00 0.04 -0.80 0.04 116.94 116.20 1wyq h PHE 71 Ca 0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1wyq h PHE 71 Cb 0.05 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1wyq h PHE 71 CO -0.10 0.02 0.08 -0.91 -0.60 0.00 0.00 178.31 176.80 1wyq h ASN 72 N 0.24 0.17 -0.49 2.17 2.35 -0.57 0.49 115.58 119.94 1wyq h ASN 72 Ca 0.22 -0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1wyq h ASN 72 Cb 0.27 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 1wyq h ASN 72 CO -0.28 0.17 0.21 -0.07 -1.65 0.00 0.00 177.43 175.81 1wyq h LEU 73 N 0.14 0.25 -0.66 1.61 3.38 -0.55 0.28 115.31 119.77 1wyq h LEU 73 Ca 0.05 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1wyq h LEU 73 Cb 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1wyq h LEU 73 CO -0.01 0.18 -0.63 0.00 0.09 0.00 0.00 178.44 178.07 1wyq h ALA 74 N 1.30 0.86 0.00 1.53 0.00 -0.79 0.85 119.26 123.01 1wyq h ALA 74 Ca 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wyq h ALA 74 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wyq h ALA 74 CO -0.20 0.76 0.00 -1.91 0.00 0.00 0.00 179.25 177.90 1wyq n GLU 75 N -3.83 0.09 0.00 0.00 2.13 0.17 -0.24 120.64 118.96 1wyq n GLU 75 Ca -0.02 0.12 -0.02 0.00 0.66 0.00 0.00 57.16 57.90 1wyq n GLU 75 Cb 0.63 -1.62 -0.01 0.00 0.27 0.00 0.00 31.44 30.72 1wyq n GLU 75 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1wyq n LYS 76 N -1.79 0.11 0.42 5.31 3.00 0.90 -4.10 118.16 122.02 1wyq n LYS 76 Ca 0.06 0.05 -0.19 0.00 -0.00 0.00 0.00 58.31 58.22 1wyq n LYS 76 Cb 0.35 -0.59 -0.09 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 -0.21 -1.13 -0.16 1.64 4.39 0.55 -3.20 114.58 116.45 1wyq h GLU 77 Ca 0.00 0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.55 1wyq h GLU 77 Cb 0.21 0.26 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1wyq h GLU 77 CO 0.00 -0.75 -0.77 -0.07 -1.16 0.00 0.00 179.01 176.26 1wyq h LEU 78 N -1.17 0.95 -0.81 1.33 3.38 -1.52 -3.49 115.31 113.99 1wyq h LEU 78 Ca -0.11 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1wyq h LEU 78 Cb 0.94 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wyq h LEU 78 CO 0.11 1.42 0.00 0.61 0.09 0.00 0.00 178.44 180.67 1wyq n GLY 79 N 0.68 0.76 3.93 0.83 0.00 0.66 -5.00 105.19 107.05 1wyq n GLY 79 Ca -0.07 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.81 4.16 -0.37 0.99 1.43 -0.51 -4.96 118.68 118.61 1wyq s LEU 80 Ca 0.00 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 1wyq s LEU 80 Cb 0.00 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1wyq s LEU 80 CO 0.00 -0.07 0.50 -0.89 0.23 0.00 0.00 176.35 176.12 1wyq s THR 81 N -2.03 5.02 -0.26 5.49 2.01 -1.26 -4.23 115.64 120.38 1wyq s THR 81 Ca 0.34 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1wyq s THR 81 Cb -0.09 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1wyq s THR 81 CO 0.28 -0.28 2.04 -0.54 -0.69 0.00 0.00 174.62 175.43 1wyq s LYS 82 N 2.36 3.24 0.01 4.92 1.02 -1.26 -4.83 119.74 125.20 1wyq s LYS 82 Ca 0.17 1.80 0.07 0.00 0.02 0.00 0.00 55.97 58.03 1wyq s LYS 82 Cb -0.16 -4.29 -0.24 0.00 -0.52 0.00 0.00 37.83 32.63 1wyq s LYS 82 CO 0.14 -1.97 0.88 -0.07 -0.92 0.00 0.00 175.35 173.41 1wyq h LEU 83 N 14.37 0.10 0.00 3.17 3.38 -1.97 -3.47 115.31 130.89 1wyq h LEU 83 Ca -0.38 -0.15 -0.51 0.00 0.09 0.00 0.00 57.88 56.93 1wyq h LEU 83 Cb 1.21 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1wyq h LEU 83 CO 0.99 1.13 -0.23 0.18 0.09 0.00 0.00 178.44 180.60 1wyq n LEU 84 N -3.24 0.00 -4.27 1.67 4.77 -1.26 -5.13 117.00 109.54 1wyq n LEU 84 Ca -0.12 -2.53 -0.21 0.00 -0.03 0.00 0.00 56.01 53.12 1wyq n LEU 84 Cb 1.02 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.93 1wyq n LEU 84 CO 0.47 -0.56 -0.48 -1.81 -1.33 0.00 0.00 177.39 173.67 1wyq s ASP 85 N -3.90 2.31 0.05 -1.43 1.11 -1.26 -5.02 116.67 108.52 1wyq s ASP 85 Ca 0.30 -0.75 0.16 0.00 0.18 0.00 0.00 52.55 52.43 1wyq s ASP 85 Cb -0.02 -0.11 0.68 0.00 1.07 0.00 0.00 42.92 44.53 1wyq s ASP 85 CO 0.19 -0.04 1.50 -0.81 1.18 0.00 0.00 175.17 177.19 1wyq n PRO 86 N 0.77 0.04 -0.00 8.23 -0.04 -1.26 -1.75 135.00 140.99 1wyq n PRO 86 Ca -0.17 0.29 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1wyq n PRO 86 Cb 0.55 -1.58 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.65 1.78 -0.04 0.54 0.28 -1.26 -3.97 120.64 116.32 1wyq n GLU 87 Ca 0.03 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.16 56.83 1wyq n GLU 87 Cb 0.18 -1.20 -0.14 0.00 1.43 0.00 0.00 31.44 31.70 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 -1.56 1.44 0.09 -1.84 8.00 -0.95 -4.33 116.55 117.40 1wyq n ASP 88 Ca 0.01 0.19 -0.18 0.00 0.71 0.00 0.00 54.79 55.52 1wyq n ASP 88 Cb 0.26 -0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 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 0.03 1.38 -0.43 2.53 2.07 -1.57 -3.40 116.25 116.85 1wyq h VAL 89 Ca -0.42 -2.63 -0.31 0.00 0.82 0.00 0.00 66.70 64.16 1wyq h VAL 89 Cb 2.04 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 34.45 1wyq h VAL 89 CO 0.05 0.78 1.00 -3.20 0.02 0.00 0.00 177.57 176.22 1wyq n ASN 90 N -3.70 2.96 -4.04 0.57 2.85 -1.26 -4.62 115.26 108.03 1wyq n ASN 90 Ca -0.10 -2.68 -0.10 0.00 -0.11 0.00 0.00 54.58 51.59 1wyq n ASN 90 Cb 0.95 -1.74 -0.08 0.00 1.24 0.00 0.00 39.78 40.15 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wyq s VAL 91 N 11.53 0.06 0.11 3.44 0.11 -1.26 -4.95 120.40 129.45 1wyq s VAL 91 Ca 0.69 -1.59 -0.27 0.00 -2.93 0.00 0.00 61.98 57.89 1wyq s VAL 91 Cb -0.01 -1.99 -0.08 0.00 -1.53 0.00 0.00 36.38 32.76 1wyq s VAL 91 CO 0.14 -0.28 1.64 0.44 -3.33 0.00 0.00 175.10 173.71 1wyq h ASP 92 N 2.61 -0.68 -2.85 3.54 5.19 -1.97 -3.37 116.42 118.89 1wyq h ASP 92 Ca -0.33 0.08 -0.60 0.00 -0.62 0.00 0.00 57.03 55.57 1wyq h ASP 92 Cb 1.22 0.26 -0.39 0.00 0.18 0.00 0.00 39.33 40.60 1wyq h ASP 92 CO 0.50 -0.33 -0.83 -1.10 -3.12 0.00 0.00 179.24 174.37 1wyq s GLN 93 N -6.07 1.05 0.00 3.56 -0.21 -1.26 -4.76 119.66 111.96 1wyq s GLN 93 Ca -0.15 -1.94 0.00 0.00 0.02 0.00 0.00 55.36 53.29 1wyq s GLN 93 Cb 0.08 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1wyq s GLN 93 CO 0.65 -1.25 0.00 -0.35 -2.12 0.00 0.00 175.29 172.22 1wyq n PRO 94 N 3.37 -0.94 -3.49 2.91 -0.04 -1.26 -4.99 135.00 130.56 1wyq n PRO 94 Ca 0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 1wyq n PRO 94 Cb 0.39 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.77 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 5.84 0.44 3.54 1.01 -1.26 -4.93 116.67 119.79 1wyq s ASP 95 Ca 0.00 -1.80 0.20 0.00 0.71 0.00 0.00 52.55 51.65 1wyq s ASP 95 Cb 0.00 -2.07 1.15 0.00 1.01 0.00 0.00 42.92 43.01 1wyq s ASP 95 CO 0.00 -0.72 1.86 1.05 0.21 0.00 0.00 175.17 177.57 1wyq h GLU 96 N 8.57 0.33 -0.07 8.23 4.11 -1.95 0.39 114.58 134.20 1wyq h GLU 96 Ca -0.24 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.07 1wyq h GLU 96 Cb 1.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1wyq h GLU 96 CO 0.90 0.22 -0.44 0.87 0.07 0.00 0.00 179.01 180.62 1wyq h LYS 97 N 0.34 0.15 0.00 1.06 1.79 -1.92 0.28 116.57 118.27 1wyq h LYS 97 Ca 0.47 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1wyq h LYS 97 Cb 1.28 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1wyq h LYS 97 CO -0.16 0.57 -0.13 0.45 -1.08 0.00 0.00 179.45 179.10 1wyq n SER 98 N -4.00 0.52 -0.10 0.86 2.88 0.13 -3.81 113.62 110.09 1wyq n SER 98 Ca -0.02 0.42 -0.15 0.00 -1.33 0.00 0.00 58.87 57.79 1wyq n SER 98 Cb 0.49 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.94 1.49 -0.31 2.46 5.41 -0.61 -4.27 119.36 121.59 1wyq n ILE 99 Ca 0.06 -0.03 0.31 0.00 1.00 0.00 0.00 62.75 64.09 1wyq n ILE 99 Cb 0.40 -2.17 0.56 0.00 -0.71 0.00 0.00 39.64 37.71 1wyq n ILE 99 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1wyq n ILE 100 N -4.36 -0.39 -0.06 1.39 5.41 0.93 0.12 119.36 122.40 1wyq n ILE 100 Ca -0.27 1.92 -0.11 0.00 1.00 0.00 0.00 62.75 65.29 1wyq n ILE 100 Cb 0.63 -3.12 -0.04 0.00 -0.71 0.00 0.00 39.64 36.40 1wyq n ILE 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1wyq h THR 101 N 0.00 1.15 0.46 1.39 2.02 -1.79 -1.62 112.91 114.53 1wyq h THR 101 Ca 0.81 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 1wyq h THR 101 Cb 2.16 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1wyq h THR 101 CO -0.72 0.15 -0.22 0.22 0.37 0.00 0.00 175.52 175.32 1wyq h TYR 102 N 0.19 -0.57 -1.16 3.16 5.03 0.69 -2.84 116.97 121.48 1wyq h TYR 102 Ca 0.07 -0.01 0.33 0.00 2.58 0.00 0.00 58.73 61.70 1wyq h TYR 102 Cb 0.16 0.19 -0.10 0.00 1.55 0.00 0.00 36.73 38.53 1wyq h TYR 102 CO -0.02 -0.36 0.76 -0.24 -1.32 0.00 0.00 178.16 176.99 1wyq h VAL 103 N -0.62 0.38 -1.14 1.81 3.04 -1.43 0.29 116.25 118.58 1wyq h VAL 103 Ca -0.06 -0.08 0.32 0.00 -1.01 0.00 0.00 66.70 65.86 1wyq h VAL 103 Cb 0.47 0.12 -0.09 0.00 -2.01 0.00 0.00 31.29 29.79 1wyq h VAL 103 CO 0.10 0.04 0.76 0.00 -1.01 0.00 0.00 177.57 177.46 1wyq h ALA 104 N 1.57 2.55 -0.51 3.17 0.00 -1.03 0.55 119.26 125.57 1wyq h ALA 104 Ca 0.66 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.56 1wyq h ALA 104 Cb 1.96 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 1wyq h ALA 104 CO -0.28 -0.99 0.10 1.79 0.00 0.00 0.00 179.25 179.87 1wyq h THR 105 N 0.24 1.22 0.00 0.00 1.35 -0.48 0.81 112.91 116.06 1wyq h THR 105 Ca 0.63 -0.84 -0.03 0.00 -0.55 0.00 0.00 66.41 65.62 1wyq h THR 105 Cb 1.91 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1wyq h THR 105 CO -0.25 0.31 -0.16 1.88 -0.25 0.00 0.00 175.52 177.05 1wyq h TYR 106 N 0.76 0.00 0.11 4.73 -1.99 -0.01 0.12 116.97 120.70 1wyq h TYR 106 Ca 0.16 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.54 1wyq h TYR 106 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 1wyq h TYR 106 CO 0.02 0.16 -1.95 -0.92 -0.00 0.00 0.00 178.16 175.47 1wyq h TYR 107 N 0.00 0.44 0.33 4.88 3.20 -1.24 -3.31 116.97 121.26 1wyq h TYR 107 Ca -0.00 -0.32 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 1wyq h TYR 107 Cb 0.35 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1wyq h TYR 107 CO 0.00 1.68 -0.16 0.45 -1.64 0.00 0.00 178.16 178.49 1wyq h HIS 108 N 0.07 -0.41 -0.04 -3.82 3.86 -0.66 -1.49 115.15 112.66 1wyq h HIS 108 Ca -0.40 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 58.81 1wyq h HIS 108 Cb 2.04 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 30.63 1wyq h HIS 108 CO 0.07 -0.08 -0.11 -0.92 0.86 0.00 0.00 177.93 177.75 1wyq h TYR 109 N -0.94 -0.33 -0.75 2.45 3.20 -0.97 0.70 116.97 120.34 1wyq h TYR 109 Ca -0.05 0.01 0.14 0.00 3.14 0.00 0.00 58.73 61.98 1wyq h TYR 109 Cb 0.52 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 38.85 1wyq h TYR 109 CO 0.04 -0.11 0.30 0.74 -1.64 0.00 0.00 178.16 177.49 1wyq h PHE 110 N -0.11 0.51 -0.28 -3.82 0.04 -1.71 -1.76 116.94 109.82 1wyq h PHE 110 Ca 0.01 0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.88 1wyq h PHE 110 Cb 0.13 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 1wyq h PHE 110 CO -0.51 0.07 -0.21 1.03 -0.60 0.00 0.00 178.31 178.09 1wyq h SER 111 N 0.45 -0.68 -0.99 2.17 0.87 -0.49 -1.73 113.55 113.15 1wyq h SER 111 Ca 0.41 0.14 0.22 0.00 -1.23 0.00 0.00 61.79 61.32 1wyq h SER 111 Cb 0.61 0.34 -0.19 0.00 -0.44 0.00 0.00 62.40 62.72 1wyq h SER 111 CO -0.39 -0.25 -0.18 0.29 -0.53 0.00 0.00 176.83 175.77 1wyq n LYS 112 N -5.36 -0.09 -0.77 2.24 4.76 0.17 -4.25 118.16 114.86 1wyq n LYS 112 Ca -0.00 1.53 -0.33 0.00 -2.87 0.00 0.00 58.31 56.64 1wyq n LYS 112 Cb 0.28 -2.32 0.13 0.00 -1.84 0.00 0.00 35.03 31.28 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 -5.58 -0.77 -1.16 1.97 2.81 -0.65 -4.51 117.12 109.23 1wyq n MET 113 Ca 0.18 -0.20 -0.37 0.00 -1.81 0.00 0.00 57.70 55.50 1wyq n MET 113 Cb 0.56 -1.71 -0.11 0.00 -0.71 0.00 0.00 33.22 31.24 1wyq n MET 113 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1wyq n LYS 114 N -1.44 0.00 -4.12 0.03 2.85 -1.26 -4.83 118.16 109.39 1wyq n LYS 114 Ca 0.04 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.14 1wyq n LYS 114 Cb 0.58 -1.21 -0.05 0.00 -0.65 0.00 0.00 35.03 33.70 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wyq s ALA 115 N 6.63 0.93 -0.13 0.58 0.00 -1.26 -5.06 121.76 123.46 1wyq s ALA 115 Ca 1.06 -1.60 0.18 0.00 0.00 0.00 0.00 51.96 51.61 1wyq s ALA 115 Cb -1.07 1.21 -0.20 0.00 0.00 0.00 0.00 23.12 23.07 1wyq s ALA 115 CO 0.43 -0.76 0.57 1.47 0.00 0.00 0.00 175.76 177.47 1wyq n LEU 116 N -0.56 0.48 -4.75 0.00 -0.00 -1.26 -4.93 117.00 105.98 1wyq n LEU 116 Ca 0.02 0.21 -0.41 0.00 -0.00 0.00 0.00 56.01 55.82 1wyq n LEU 116 Cb 0.62 0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 44.18 1wyq n LEU 116 CO 0.30 0.19 1.21 0.00 -0.00 0.00 0.00 177.39 179.09 1wyq s ALA 117 N -2.95 3.72 -0.06 1.47 0.00 -1.26 -5.01 121.76 117.66 1wyq s ALA 117 Ca -0.06 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.44 1wyq s ALA 117 Cb 0.09 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 1wyq s ALA 117 CO 0.84 -0.91 -0.19 0.54 0.00 0.00 0.00 175.76 176.04 1wyq s VAL 118 N 0.04 1.61 1.14 0.00 0.11 -1.26 -5.00 120.40 117.04 1wyq s VAL 118 Ca 0.62 -0.79 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 1wyq s VAL 118 Cb -0.46 -1.39 0.26 0.00 -1.53 0.00 0.00 36.38 33.26 1wyq s VAL 118 CO 0.46 0.46 1.09 -1.83 -3.33 0.00 0.00 175.10 171.94 1wyq s GLU 119 N 0.18 -0.72 0.00 1.54 -1.05 -1.26 -4.99 118.70 112.40 1wyq s GLU 119 Ca -0.09 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 1wyq s GLU 119 Cb -0.14 -1.63 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 1wyq s GLU 119 CO 0.04 -3.44 0.00 0.41 0.95 0.00 0.00 175.26 173.22 1wyq n GLY 120 N -0.73 -0.16 3.47 -3.83 0.00 -1.26 -5.14 105.19 97.55 1wyq n GLY 120 Ca 0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.45 0.60 -0.24 1.61 2.20 -1.26 -5.03 119.74 116.18 1wyq s LYS 121 Ca 0.00 0.95 0.04 0.00 -0.36 0.00 0.00 55.97 56.60 1wyq s LYS 121 Cb 0.00 0.15 0.44 0.00 -1.51 0.00 0.00 37.83 36.92 1wyq s LYS 121 CO 0.00 -0.13 1.47 0.45 -0.36 0.00 0.00 175.35 176.79 1wyq n SER 122 N 3.78 3.62 0.00 1.43 2.88 -1.26 -4.85 113.62 119.21 1wyq n SER 122 Ca -0.19 -2.86 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 1wyq n SER 122 Cb 0.57 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1wyq n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyq n GLY 123 N -0.23 3.53 0.27 0.46 0.00 -1.26 -4.99 105.19 102.97 1wyq n GLY 123 Ca 0.31 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1wyq n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyq h PRO 124 N 0.00 0.00 -0.86 1.61 0.13 -2.03 -3.31 132.00 127.54 1wyq h PRO 124 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1wyq h PRO 124 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1wyq h PRO 124 CO 0.00 0.05 -0.51 0.43 -0.23 0.00 0.00 178.00 177.74 1wyq n SER 125 N -3.19 -0.91 -3.85 1.44 7.64 -1.26 -4.65 113.62 108.84 1wyq n SER 125 Ca 0.00 1.63 -0.12 0.00 1.01 0.00 0.00 58.87 61.40 1wyq n SER 125 Cb 0.32 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.17 1wyq n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wyq s SER 126 N -5.23 -0.02 0.00 6.43 1.04 -1.25 -5.28 113.70 109.39 1wyq s SER 126 Ca -0.10 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1wyq s SER 126 Cb 0.09 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1wyq s SER 126 CO 0.53 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.00