#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 -0.34 0.12 1.61 0.15 -1.26 -5.18 113.70 108.80 1wyq s SER 2 Ca 0.00 0.54 0.04 0.00 0.70 0.00 0.00 55.95 57.23 1wyq s SER 2 Cb 0.00 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.39 1wyq s SER 2 CO 0.00 -0.09 -0.10 -0.94 1.20 0.00 0.00 173.24 173.32 1wyq s SER 3 N 1.20 1.57 1.00 5.45 1.04 -1.26 -5.09 113.70 117.60 1wyq s SER 3 Ca -0.08 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1wyq s SER 3 Cb -0.03 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1wyq s SER 3 CO -0.13 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1wyq n GLY 4 N 0.12 1.00 2.74 7.32 0.00 -1.26 -4.62 105.19 110.48 1wyq n GLY 4 Ca -0.13 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 3.40 0.23 1.61 1.04 -1.26 -5.13 113.70 109.59 1wyq s SER 5 Ca 0.00 -1.15 0.11 0.00 0.48 0.00 0.00 55.95 55.39 1wyq s SER 5 Cb 0.00 -0.71 -0.05 0.00 0.10 0.00 0.00 66.02 65.36 1wyq s SER 5 CO 0.00 -0.35 -0.21 -0.55 0.98 0.00 0.00 173.24 173.11 1wyq s SER 6 N 1.76 3.37 0.00 7.02 0.15 -1.26 -5.11 113.70 119.62 1wyq s SER 6 Ca 0.03 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.73 1wyq s SER 6 Cb -0.17 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1wyq s SER 6 CO -0.16 0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1wyq n GLY 7 N -0.14 4.34 0.13 9.45 0.00 -1.26 -4.98 105.19 112.73 1wyq n GLY 7 Ca -0.09 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq n ALA 8 N -1.91 1.18 -1.03 4.61 0.00 -1.26 -4.40 120.51 117.70 1wyq n ALA 8 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 53.44 52.39 1wyq n ALA 8 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 1wyq n ALA 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wyq n LYS 9 N -3.59 1.89 -0.11 0.00 2.85 -1.26 -4.25 118.16 113.70 1wyq n LYS 9 Ca -0.42 -1.37 -0.20 0.00 -1.05 0.00 0.00 58.31 55.27 1wyq n LYS 9 Cb 0.96 -1.77 -0.08 0.00 -0.65 0.00 0.00 35.03 33.49 1wyq n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wyq n ASP 10 N 1.28 1.90 -0.31 -5.58 2.03 -1.26 -3.31 116.55 111.29 1wyq n ASP 10 Ca 0.34 0.42 0.13 0.00 0.52 0.00 0.00 54.79 56.19 1wyq n ASP 10 Cb 0.65 -0.87 0.27 0.00 -0.72 0.00 0.00 41.12 40.45 1wyq n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wyq h ALA 11 N -0.82 1.15 0.12 -1.67 0.00 -1.91 0.20 119.26 116.34 1wyq h ALA 11 Ca -0.36 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wyq h ALA 11 Cb 1.24 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1wyq h ALA 11 CO -0.22 -0.52 -0.06 1.25 0.00 0.00 0.00 179.25 179.70 1wyq h LEU 12 N 0.09 -0.14 -0.89 0.00 5.85 -1.88 -2.84 115.31 115.50 1wyq h LEU 12 Ca 0.56 -0.42 0.24 0.00 0.84 0.00 0.00 57.88 59.10 1wyq h LEU 12 Cb 1.13 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.05 1wyq h LEU 12 CO -0.79 0.45 0.27 0.25 -0.34 0.00 0.00 178.44 178.29 1wyq h LEU 13 N -0.85 0.05 -0.71 2.25 5.85 -1.23 0.46 115.31 121.14 1wyq h LEU 13 Ca -0.02 0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1wyq h LEU 13 Cb 0.55 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1wyq h LEU 13 CO 0.03 -0.15 -0.02 0.25 -0.34 0.00 0.00 178.44 178.21 1wyq h LEU 14 N 0.23 0.95 0.21 2.25 5.85 -0.73 -1.90 115.31 122.16 1wyq h LEU 14 Ca 0.57 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1wyq h LEU 14 Cb 1.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1wyq h LEU 14 CO -0.65 1.02 -0.27 -0.25 -0.34 0.00 0.00 178.44 177.96 1wyq h TRP 15 N 0.89 -0.72 -0.41 1.25 7.01 0.16 0.85 115.95 124.98 1wyq h TRP 15 Ca 0.16 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 1wyq h TRP 15 Cb 0.55 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.88 1wyq h TRP 15 CO 0.04 -0.38 0.10 0.00 -2.79 0.00 0.00 178.44 175.41 1wyq h GLN 17 N 0.59 0.72 -0.06 0.00 4.20 -0.75 0.18 115.11 119.99 1wyq h GLN 17 Ca 0.14 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1wyq h GLN 17 Cb 0.22 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1wyq h GLN 17 CO -0.00 0.71 0.03 0.52 -0.67 0.00 0.00 178.83 179.42 1wyq h MET 18 N 0.59 0.08 0.57 1.46 2.86 -0.51 0.86 114.93 120.85 1wyq h MET 18 Ca 0.14 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1wyq h MET 18 Cb 0.31 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1wyq h MET 18 CO 0.00 0.16 -0.28 0.87 1.06 0.00 0.00 176.91 178.72 1wyq h LYS 19 N -0.02 -0.74 -0.63 1.72 1.79 -1.37 -3.00 116.57 114.31 1wyq h LYS 19 Ca 0.02 0.05 0.16 0.00 -2.18 0.00 0.00 60.65 58.70 1wyq h LYS 19 Cb 0.10 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1wyq h LYS 19 CO -0.00 -0.43 0.44 1.79 -1.08 0.00 0.00 179.45 180.17 1wyq h THR 20 N -1.03 0.74 -0.98 -0.16 1.35 -0.68 -1.85 112.91 110.30 1wyq h THR 20 Ca -0.08 -0.05 0.34 0.00 -0.55 0.00 0.00 66.41 66.08 1wyq h THR 20 Cb 0.65 0.59 -0.17 0.00 -1.73 0.00 0.00 68.15 67.50 1wyq h THR 20 CO 0.13 0.02 0.43 0.00 -0.25 0.00 0.00 175.52 175.85 1wyq h ALA 21 N 1.69 1.82 -0.97 6.62 0.00 -0.66 0.22 119.26 127.97 1wyq h ALA 21 Ca 0.30 0.25 0.32 0.00 0.00 0.00 0.00 54.91 55.78 1wyq h ALA 21 Cb 1.02 0.31 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 1wyq h ALA 21 CO -0.04 -0.71 0.29 0.78 0.00 0.00 0.00 179.25 179.57 1wyq h GLY 22 N 0.13 1.69 -5.64 0.00 0.00 -1.47 -3.38 103.07 94.41 1wyq h GLY 22 Ca 0.73 -0.02 -0.66 0.00 0.00 0.00 0.00 47.33 47.39 1wyq h GLY 22 CO -0.73 -0.58 -0.46 -0.19 0.00 0.00 0.00 176.54 174.58 1wyq s TYR 23 N -5.80 3.60 0.00 5.60 1.51 0.75 -5.02 117.35 117.99 1wyq s TYR 23 Ca -0.11 0.55 -0.24 0.00 -1.01 0.00 0.00 57.07 56.26 1wyq s TYR 23 Cb 0.30 -1.99 -0.18 0.00 -0.11 0.00 0.00 41.96 39.99 1wyq s TYR 23 CO 0.78 0.70 1.30 -1.00 -1.11 0.00 0.00 175.55 176.21 1wyq h PRO 24 N 5.09 0.14 -0.53 -1.71 0.13 -1.82 -3.26 132.00 130.04 1wyq h PRO 24 Ca -0.54 -0.08 0.02 0.00 -0.87 0.00 0.00 66.00 64.53 1wyq h PRO 24 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1wyq h PRO 24 CO 0.60 0.59 0.34 -0.97 -0.23 0.00 0.00 178.00 178.32 1wyq h ASN 25 N -0.30 0.56 -2.81 1.44 -0.73 -1.95 -3.41 115.58 108.39 1wyq h ASN 25 Ca 0.01 -0.00 -0.55 0.00 1.87 0.00 0.00 56.30 57.63 1wyq h ASN 25 Cb 0.57 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1wyq h ASN 25 CO 0.01 0.40 0.93 -0.69 -0.37 0.00 0.00 177.43 177.71 1wyq s VAL 26 N -6.14 3.73 -0.12 2.57 1.01 -1.23 -5.00 120.40 115.22 1wyq s VAL 26 Ca -0.13 1.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 1wyq s VAL 26 Cb 0.13 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1wyq s VAL 26 CO 0.74 -0.04 0.24 0.20 0.00 0.00 0.00 175.10 176.24 1wyq s ASN 27 N 2.36 0.37 -0.80 3.32 -0.87 -1.26 -4.56 114.94 113.49 1wyq s ASN 27 Ca 0.66 0.53 -0.09 0.00 -1.57 0.00 0.00 52.86 52.39 1wyq s ASN 27 Cb -0.31 0.59 0.21 0.00 -0.02 0.00 0.00 41.25 41.72 1wyq s ASN 27 CO 0.26 -0.23 0.71 -0.69 -2.57 0.00 0.00 177.10 174.57 1wyq s VAL 28 N 2.27 5.00 -0.18 1.60 1.01 -1.26 -4.83 120.40 124.02 1wyq s VAL 28 Ca 0.00 -2.83 0.02 0.00 0.00 0.00 0.00 61.98 59.17 1wyq s VAL 28 Cb -0.12 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 31.93 1wyq s VAL 28 CO -0.08 -1.01 0.12 1.41 0.00 0.00 0.00 175.10 175.55 1wyq n HIS 29 N 3.56 0.58 -4.28 5.22 8.25 -1.26 -4.66 115.22 122.62 1wyq n HIS 29 Ca 0.14 0.14 -0.15 0.00 -0.26 0.00 0.00 57.72 57.58 1wyq n HIS 29 Cb 0.43 -1.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.41 1wyq n HIS 29 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wyq n ASN 30 N -3.26 0.70 -0.94 0.41 2.04 -1.26 -5.06 115.26 107.90 1wyq n ASN 30 Ca -0.36 -2.40 0.01 0.00 -0.44 0.00 0.00 54.58 51.39 1wyq n ASN 30 Cb 1.04 0.77 0.21 0.00 -2.53 0.00 0.00 39.78 39.27 1wyq n ASN 30 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1wyq n PHE 31 N -0.54 0.83 0.01 -2.53 3.72 -1.26 -4.45 117.46 113.25 1wyq n PHE 31 Ca -0.01 -1.37 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 1wyq n PHE 31 Cb 0.39 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.02 0.04 -0.23 4.37 -2.24 -1.26 -3.84 114.28 110.10 1wyq n THR 32 Ca 0.27 0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1wyq n THR 32 Cb 0.93 -0.41 0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.60 2.16 0.00 4.28 -2.24 -1.26 -3.52 114.28 111.10 1wyq n THR 33 Ca 0.00 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1wyq n THR 33 Cb 0.00 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 0.06 4.34 -0.37 3.42 2.88 -1.26 -4.71 113.62 117.97 1wyq n SER 34 Ca 0.25 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.83 1wyq n SER 34 Cb 0.84 0.60 0.06 0.00 -0.75 0.00 0.00 64.21 64.96 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 -1.61 0.10 -0.24 0.66 7.02 -1.24 -4.45 117.44 117.69 1wyq n TRP 35 Ca 0.00 -0.15 -0.07 0.00 -1.02 0.00 0.00 57.50 56.26 1wyq n TRP 35 Cb 0.27 -0.01 0.04 0.00 -2.42 0.00 0.00 31.31 29.19 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 1.57 0.97 0.46 -0.99 1.12 -1.84 -3.26 114.38 112.41 1wyq h ARG 36 Ca 0.00 -0.16 -0.02 0.00 -1.11 0.00 0.00 59.98 58.69 1wyq h ARG 36 Cb 0.44 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 1wyq h ARG 36 CO 0.00 0.79 -0.22 0.22 -3.11 0.00 0.00 179.97 177.64 1wyq h ASP 37 N 0.92 -0.52 0.00 -3.80 3.58 -1.92 -3.39 116.42 111.29 1wyq h ASP 37 Ca 0.22 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1wyq h ASP 37 Cb 0.15 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1wyq h ASP 37 CO -0.02 -0.20 0.00 0.61 -2.88 0.00 0.00 179.24 176.75 1wyq n GLY 38 N -0.06 4.26 0.29 -0.78 0.00 -1.23 -4.30 105.19 103.37 1wyq n GLY 38 Ca -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.48 -0.30 0.99 4.77 -1.26 -0.03 117.00 120.69 1wyq n LEU 39 Ca 0.00 1.32 -0.05 0.00 -0.03 0.00 0.00 56.01 57.25 1wyq n LEU 39 Cb 0.00 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1wyq n LEU 39 CO 0.00 -1.18 0.39 0.00 -1.33 0.00 0.00 177.39 175.27 1wyq n ALA 40 N -3.61 -0.29 -0.21 -1.18 0.00 -1.26 0.17 120.51 114.14 1wyq n ALA 40 Ca 0.08 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 54.14 1wyq n ALA 40 Cb 0.31 -0.21 0.10 0.00 0.00 0.00 0.00 19.45 19.64 1wyq n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wyq h PHE 41 N 0.00 1.08 0.00 0.00 0.04 -0.79 -1.46 116.94 115.81 1wyq h PHE 41 Ca 0.18 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1wyq h PHE 41 Cb 0.37 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1wyq h PHE 41 CO -0.70 0.88 0.00 0.09 -0.60 0.00 0.00 178.31 177.98 1wyq n ASN 42 N -4.24 0.00 -0.10 2.17 3.02 0.46 -2.88 115.26 113.69 1wyq n ASN 42 Ca 0.05 -0.64 -0.14 0.00 -0.03 0.00 0.00 54.58 53.81 1wyq n ASN 42 Cb 0.25 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.04 1.44 -0.03 5.41 0.00 0.19 -3.84 120.51 122.65 1wyq n ALA 43 Ca 0.17 -1.16 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 1wyq n ALA 43 Cb 0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 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 1.27 0.40 0.00 2.04 -1.34 -3.03 117.51 116.85 1wyq h ILE 44 Ca -0.54 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 1wyq h ILE 44 Cb 2.06 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1wyq h ILE 44 CO -0.02 0.25 -0.19 0.58 0.00 0.00 0.00 178.15 178.77 1wyq h VAL 45 N -0.12 0.00 -1.01 1.67 2.07 -1.78 -3.00 116.25 114.08 1wyq h VAL 45 Ca 0.03 -0.09 0.37 0.00 0.82 0.00 0.00 66.70 67.83 1wyq h VAL 45 Cb 0.40 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.05 1wyq h VAL 45 CO 0.01 0.00 0.63 1.57 0.02 0.00 0.00 177.57 179.80 1wyq n HIS 46 N -3.67 0.66 -0.11 1.57 -0.00 -1.25 0.22 115.22 112.65 1wyq n HIS 46 Ca -0.07 0.67 -0.09 0.00 -0.00 0.00 0.00 57.72 58.23 1wyq n HIS 46 Cb 0.21 -1.08 -0.01 0.00 -0.00 0.00 0.00 29.99 29.10 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 0.47 0.10 1.57 1.63 -1.39 -0.99 116.57 117.97 1wyq h LYS 47 Ca 0.70 -0.05 -0.17 0.00 -0.85 0.00 0.00 60.65 60.27 1wyq h LYS 47 Cb 2.13 -0.09 0.02 0.00 -0.60 0.00 0.00 32.23 33.69 1wyq h LYS 47 CO -0.44 0.39 -0.74 0.45 -3.45 0.00 0.00 179.45 175.66 1wyq h HIS 48 N 0.43 0.54 -2.86 1.91 3.86 0.28 -3.42 115.15 115.90 1wyq h HIS 48 Ca 0.12 -0.37 -0.60 0.00 -1.16 0.00 0.00 60.37 58.36 1wyq h HIS 48 Cb 0.05 -0.03 -0.40 0.00 1.06 0.00 0.00 27.41 28.09 1wyq h HIS 48 CO -0.03 1.26 -0.77 1.03 0.86 0.00 0.00 177.93 180.28 1wyq s ARG 49 N -2.62 1.16 0.00 2.45 1.81 0.84 -4.95 118.95 117.63 1wyq s ARG 49 Ca -0.14 -1.94 0.11 0.00 -1.72 0.00 0.00 55.73 52.05 1wyq s ARG 49 Cb 0.01 -2.10 0.65 0.00 -0.45 0.00 0.00 34.95 33.06 1wyq s ARG 49 CO 0.83 -1.19 1.09 -0.35 -0.68 0.00 0.00 175.30 174.99 1wyq n PRO 50 N 3.52 0.49 -0.06 3.54 -0.04 -0.38 -2.85 135.00 139.22 1wyq n PRO 50 Ca 0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1wyq n PRO 50 Cb 0.36 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.85 1.97 -0.20 3.54 8.00 -1.26 -4.46 116.55 123.29 1wyq n ASP 51 Ca 0.08 0.33 -0.07 0.00 0.71 0.00 0.00 54.79 55.84 1wyq n ASP 51 Cb 0.04 -0.91 -0.06 0.00 -0.02 0.00 0.00 41.12 40.16 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wyq h LEU 52 N -0.56 -1.28 -9.29 0.64 3.38 -1.93 -3.43 115.31 102.85 1wyq h LEU 52 Ca -0.40 0.19 -0.56 0.00 0.09 0.00 0.00 57.88 57.20 1wyq h LEU 52 Cb 1.61 0.55 -0.14 0.00 0.09 0.00 0.00 40.66 42.78 1wyq h LEU 52 CO -0.10 -0.18 -0.68 -1.48 0.09 0.00 0.00 178.44 176.09 1wyq s LEU 53 N -8.68 2.61 -0.69 1.67 2.34 -1.26 -5.10 118.68 109.58 1wyq s LEU 53 Ca -0.08 -1.19 0.01 0.00 0.06 0.00 0.00 54.13 52.93 1wyq s LEU 53 Cb 0.06 -0.83 0.17 0.00 -0.56 0.00 0.00 46.19 45.03 1wyq s LEU 53 CO 0.38 -0.26 0.49 -1.81 -1.06 0.00 0.00 176.35 174.10 1wyq s ASP 54 N -3.53 5.10 0.34 1.48 1.01 -1.26 -4.76 116.67 115.05 1wyq s ASP 54 Ca 0.31 -3.36 0.14 0.00 0.71 0.00 0.00 52.55 50.35 1wyq s ASP 54 Cb 0.03 -1.76 1.11 0.00 1.01 0.00 0.00 42.92 43.31 1wyq s ASP 54 CO 0.14 -0.22 1.61 0.15 0.21 0.00 0.00 175.17 177.06 1wyq h PHE 55 N 6.25 0.67 -0.94 4.23 3.57 -1.90 1.14 116.94 129.95 1wyq h PHE 55 Ca 0.05 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.69 1wyq h PHE 55 Cb 0.85 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 1wyq h PHE 55 CO 0.67 -0.35 0.61 0.93 -2.23 0.00 0.00 178.31 177.93 1wyq h GLU 56 N 0.12 0.97 -0.04 1.11 4.39 -2.00 -1.73 114.58 117.40 1wyq h GLU 56 Ca 0.75 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 60.17 1wyq h GLU 56 Cb 1.80 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1wyq h GLU 56 CO -0.73 0.64 -0.88 0.77 -1.16 0.00 0.00 179.01 177.65 1wyq h SER 57 N 1.00 0.64 -3.93 1.42 0.02 0.87 -3.45 113.55 110.11 1wyq h SER 57 Ca 0.43 -0.47 -0.54 0.00 -0.84 0.00 0.00 61.79 60.37 1wyq h SER 57 Cb 0.33 -0.19 0.19 0.00 0.14 0.00 0.00 62.40 62.87 1wyq h SER 57 CO -0.19 1.25 0.07 0.18 -1.14 0.00 0.00 176.83 177.00 1wyq n LEU 58 N -3.81 3.01 -4.37 5.07 4.77 -0.58 -5.03 117.00 116.05 1wyq n LEU 58 Ca -0.07 0.52 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 1wyq n LEU 58 Cb 0.79 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.35 1wyq n LEU 58 CO 0.51 -2.28 -0.53 -0.75 -1.33 0.00 0.00 177.39 173.01 1wyq s LYS 59 N -3.90 1.35 -0.33 3.23 2.47 -1.26 -4.98 119.74 116.32 1wyq s LYS 59 Ca 0.69 -1.36 -0.00 0.00 -1.56 0.00 0.00 55.97 53.73 1wyq s LYS 59 Cb -0.28 -1.68 0.26 0.00 -1.46 0.00 0.00 37.83 34.67 1wyq s LYS 59 CO 0.55 0.38 1.91 0.36 0.16 0.00 0.00 175.35 178.71 1wyq n LYS 60 N 0.68 1.84 0.06 4.03 0.00 -1.26 -4.19 118.16 119.32 1wyq n LYS 60 Ca -0.16 -1.70 0.00 0.00 -0.00 0.00 0.00 58.31 56.45 1wyq n LYS 60 Cb 0.55 -1.67 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 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 -5.76 7.15 -0.06 0.00 3.04 -1.26 -4.93 114.94 113.11 1wyq s ASN 62 Ca 0.00 1.95 -0.07 0.00 0.04 0.00 0.00 52.86 54.78 1wyq s ASN 62 Cb 0.00 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 37.09 1wyq s ASN 62 CO 0.00 -0.41 -0.15 0.00 -3.04 0.00 0.00 177.10 173.49 1wyq n ALA 63 N 3.84 2.13 -0.27 1.71 0.00 -1.26 -4.08 120.51 122.58 1wyq n ALA 63 Ca 0.08 -0.41 0.21 0.00 0.00 0.00 0.00 53.44 53.32 1wyq n ALA 63 Cb 0.47 0.23 0.40 0.00 0.00 0.00 0.00 19.45 20.55 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 -3.76 0.80 -0.02 0.00 -0.00 -1.26 0.05 115.22 111.02 1wyq n HIS 64 Ca -0.14 0.99 -0.04 0.00 -0.00 0.00 0.00 57.72 58.53 1wyq n HIS 64 Cb 0.41 -1.29 -0.03 0.00 -0.00 0.00 0.00 29.99 29.08 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 -0.06 -1.17 1.57 3.20 -1.91 -2.83 116.97 115.77 1wyq h TYR 65 Ca 0.63 -0.00 0.34 0.00 3.14 0.00 0.00 58.73 62.83 1wyq h TYR 65 Cb 1.55 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.79 1wyq h TYR 65 CO -0.17 0.15 0.96 -0.91 -1.64 0.00 0.00 178.16 176.56 1wyq h ASN 66 N -1.01 0.00 0.06 -2.11 2.35 -1.07 0.19 115.58 114.00 1wyq h ASN 66 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1wyq h ASN 66 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1wyq h ASN 66 CO 0.01 0.00 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.69 1wyq h LEU 67 N 0.00 -0.06 -0.84 1.61 3.38 -0.46 -3.03 115.31 115.91 1wyq h LEU 67 Ca 0.55 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.67 1wyq h LEU 67 Cb 2.48 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 43.15 1wyq h LEU 67 CO -0.01 0.38 0.43 0.06 0.09 0.00 0.00 178.44 179.39 1wyq h GLN 68 N -0.93 0.59 -0.10 1.13 3.07 -0.94 0.23 115.11 118.17 1wyq h GLN 68 Ca -0.01 -0.04 0.02 0.00 0.09 0.00 0.00 58.65 58.72 1wyq h GLN 68 Cb 0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.46 1wyq h GLN 68 CO 0.01 0.39 -0.03 -0.97 0.09 0.00 0.00 178.83 178.32 1wyq h ASN 69 N 0.61 -0.11 0.01 0.06 -1.24 -0.82 0.32 115.58 114.42 1wyq h ASN 69 Ca 0.46 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.50 1wyq h ASN 69 Cb 0.64 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.76 1wyq h ASN 69 CO -0.36 -0.04 -0.01 0.00 -1.29 0.00 0.00 177.43 175.73 1wyq h ALA 70 N 1.08 -0.01 -0.99 1.57 0.00 -1.16 0.29 119.26 120.04 1wyq h ALA 70 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wyq h ALA 70 Cb 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1wyq h ALA 70 CO -0.10 -0.46 0.66 0.74 0.00 0.00 0.00 179.25 180.08 1wyq h PHE 71 N -0.11 1.24 0.37 0.00 0.04 -0.81 -2.23 116.94 115.43 1wyq h PHE 71 Ca -0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1wyq h PHE 71 Cb 0.11 -0.42 0.00 0.00 2.20 0.00 0.00 35.95 37.85 1wyq h PHE 71 CO -0.04 0.76 -0.18 -0.91 -0.60 0.00 0.00 178.31 177.34 1wyq h ASN 72 N 1.32 -0.42 -1.00 2.17 2.35 -0.14 0.51 115.58 120.38 1wyq h ASN 72 Ca 0.37 0.01 0.26 0.00 -0.55 0.00 0.00 56.30 56.40 1wyq h ASN 72 Cb -0.11 0.11 -0.19 0.00 0.05 0.00 0.00 38.32 38.18 1wyq h ASN 72 CO -0.09 -0.08 -0.03 0.18 -1.65 0.00 0.00 177.43 175.75 1wyq n LEU 73 N -4.53 -0.16 -0.03 1.61 4.77 0.98 0.28 117.00 119.92 1wyq n LEU 73 Ca -0.06 1.70 -0.16 0.00 -0.03 0.00 0.00 56.01 57.46 1wyq n LEU 73 Cb 0.20 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.60 1wyq n LEU 73 CO 0.15 -1.70 0.37 0.00 -1.33 0.00 0.00 177.39 174.88 1wyq h ALA 74 N 1.99 0.21 0.00 -1.18 0.00 -1.47 0.39 119.26 119.21 1wyq h ALA 74 Ca 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wyq h ALA 74 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wyq h ALA 74 CO -0.96 0.39 0.00 -1.91 0.00 0.00 0.00 179.25 176.78 1wyq n GLU 75 N -4.22 0.03 -0.01 0.00 0.00 0.14 -0.02 120.64 116.56 1wyq n GLU 75 Ca -0.08 0.45 -0.03 0.00 0.00 0.00 0.00 57.16 57.50 1wyq n GLU 75 Cb 0.60 -1.59 -0.01 0.00 0.00 0.00 0.00 31.44 30.44 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 -1.66 0.19 0.00 5.31 3.00 0.98 -4.19 118.16 121.79 1wyq n LYS 76 Ca 0.01 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1wyq n LYS 76 Cb 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 35.03 34.32 1wyq n LYS 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wyq n GLU 77 N -3.63 0.00 -0.15 1.64 -0.58 0.14 -3.65 120.64 114.41 1wyq n GLU 77 Ca -0.05 0.45 -0.05 0.00 -0.42 0.00 0.00 57.16 57.09 1wyq n GLU 77 Cb 0.19 -1.42 0.04 0.00 -0.57 0.00 0.00 31.44 29.67 1wyq n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wyq h LEU 78 N 0.00 0.36 -0.09 -4.62 3.38 -1.53 -3.47 115.31 109.33 1wyq h LEU 78 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wyq h LEU 78 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1wyq h LEU 78 CO 0.00 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1wyq n GLY 79 N -1.24 1.14 3.89 0.83 0.00 0.97 -5.03 105.19 105.76 1wyq n GLY 79 Ca 0.03 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 4.31 -0.22 0.99 1.43 -1.12 -4.97 118.68 119.00 1wyq s LEU 80 Ca 0.00 0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 53.38 1wyq s LEU 80 Cb 0.00 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1wyq s LEU 80 CO 0.00 0.12 0.98 -0.89 0.23 0.00 0.00 176.35 176.79 1wyq s THR 81 N -1.54 4.73 -0.45 5.49 2.01 -1.26 -4.11 115.64 120.51 1wyq s THR 81 Ca 0.37 1.90 -0.27 0.00 0.31 0.00 0.00 61.69 64.00 1wyq s THR 81 Cb -0.13 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 1wyq s THR 81 CO 0.23 -0.14 2.23 -0.54 -0.69 0.00 0.00 174.62 175.71 1wyq s LYS 82 N 3.01 2.48 0.04 4.92 1.02 -1.26 -4.78 119.74 125.17 1wyq s LYS 82 Ca 0.42 1.38 0.14 0.00 0.02 0.00 0.00 55.97 57.92 1wyq s LYS 82 Cb -0.15 -4.48 -0.17 0.00 -0.52 0.00 0.00 37.83 32.51 1wyq s LYS 82 CO 0.07 -2.85 0.87 -0.07 -0.92 0.00 0.00 175.35 172.45 1wyq h LEU 83 N 17.74 0.00 -9.99 3.17 3.38 -1.98 -3.47 115.31 124.16 1wyq h LEU 83 Ca -0.28 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.02 1wyq h LEU 83 Cb 1.24 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.86 1wyq h LEU 83 CO 1.12 0.81 -0.52 -0.76 0.09 0.00 0.00 178.44 179.18 1wyq s LEU 84 N -6.09 2.44 0.16 1.67 1.43 -1.26 -5.12 118.68 111.90 1wyq s LEU 84 Ca -0.03 -1.57 0.07 0.00 -1.03 0.00 0.00 54.13 51.57 1wyq s LEU 84 Cb 0.08 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1wyq s LEU 84 CO 0.81 -0.79 -0.14 -1.81 0.23 0.00 0.00 176.35 174.65 1wyq s ASP 85 N -3.87 2.23 0.00 2.29 1.01 -1.26 -5.02 116.67 112.04 1wyq s ASP 85 Ca 0.13 -0.91 0.15 0.00 0.71 0.00 0.00 52.55 52.63 1wyq s ASP 85 Cb 0.03 -0.09 0.79 0.00 1.01 0.00 0.00 42.92 44.66 1wyq s ASP 85 CO 0.07 -0.17 1.39 -0.81 0.21 0.00 0.00 175.17 175.87 1wyq n PRO 86 N 0.12 0.28 -0.05 8.23 -0.04 -1.26 -2.36 135.00 139.92 1wyq n PRO 86 Ca -0.12 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1wyq n PRO 86 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.22 1.32 -0.03 0.54 0.28 -1.26 -4.16 120.64 116.11 1wyq n GLU 87 Ca 0.08 0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.99 1wyq n GLU 87 Cb 0.10 -1.22 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1wyq h ASP 88 N 0.00 0.18 -0.08 -1.84 5.19 -1.93 -3.28 116.42 114.65 1wyq h ASP 88 Ca -0.24 -0.38 -0.02 0.00 -0.62 0.00 0.00 57.03 55.77 1wyq h ASP 88 Cb 1.45 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.91 1wyq h ASP 88 CO -0.02 0.52 -0.01 0.58 -3.12 0.00 0.00 179.24 177.19 1wyq h VAL 89 N -0.17 1.27 -0.72 -1.35 2.07 -1.74 -3.41 116.25 112.20 1wyq h VAL 89 Ca 0.02 -0.87 -0.30 0.00 0.82 0.00 0.00 66.70 66.38 1wyq h VAL 89 Cb 0.44 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1wyq h VAL 89 CO 0.01 0.24 1.15 -3.20 0.02 0.00 0.00 177.57 175.79 1wyq n ASN 90 N -4.81 1.34 -3.59 0.57 2.85 -1.24 -4.57 115.26 105.81 1wyq n ASN 90 Ca -0.07 -0.76 -0.09 0.00 -0.11 0.00 0.00 54.58 53.55 1wyq n ASN 90 Cb 0.21 -1.38 -0.02 0.00 1.24 0.00 0.00 39.78 39.84 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 11.06 0.00 0.12 3.44 0.11 -1.26 -4.90 120.40 128.97 1wyq s VAL 91 Ca 1.06 -0.35 -0.23 0.00 -2.93 0.00 0.00 61.98 59.53 1wyq s VAL 91 Cb -0.41 -1.37 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 1wyq s VAL 91 CO 0.27 0.00 1.67 0.44 -3.33 0.00 0.00 175.10 174.16 1wyq h ASP 92 N 2.00 -0.45 -2.59 3.54 3.32 -1.97 -3.36 116.42 116.91 1wyq h ASP 92 Ca -0.27 0.07 -0.60 0.00 0.02 0.00 0.00 57.03 56.25 1wyq h ASP 92 Cb 1.28 0.20 -0.39 0.00 0.22 0.00 0.00 39.33 40.63 1wyq h ASP 92 CO 0.32 -0.21 -0.87 -1.10 -1.72 0.00 0.00 179.24 175.66 1wyq s GLN 93 N -6.14 1.28 1.00 3.56 -1.52 -1.26 -4.72 119.66 111.85 1wyq s GLN 93 Ca -0.14 -2.37 -0.12 0.00 -1.95 0.00 0.00 55.36 50.77 1wyq s GLN 93 Cb 0.09 -1.92 0.19 0.00 -0.22 0.00 0.00 33.01 31.14 1wyq s GLN 93 CO 0.67 -1.35 1.09 -1.25 -0.25 0.00 0.00 175.29 174.20 1wyq s PRO 94 N -0.25 0.45 -0.63 2.91 0.04 -1.26 -4.95 135.00 131.31 1wyq s PRO 94 Ca 0.30 0.53 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 1wyq s PRO 94 Cb -0.00 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.83 1wyq s PRO 94 CO -0.18 -2.72 1.17 -0.51 0.04 0.00 0.00 177.00 174.81 1wyq s ASP 95 N -3.45 6.32 0.48 6.66 1.01 -1.26 -4.81 116.67 121.61 1wyq s ASP 95 Ca 0.65 -0.21 0.18 0.00 0.71 0.00 0.00 52.55 53.88 1wyq s ASP 95 Cb -0.19 -2.53 1.20 0.00 1.01 0.00 0.00 42.92 42.41 1wyq s ASP 95 CO 0.58 -1.56 2.00 1.05 0.21 0.00 0.00 175.17 177.45 1wyq h GLU 96 N 9.67 0.20 0.00 8.23 4.11 -1.93 0.18 114.58 135.05 1wyq h GLU 96 Ca -0.26 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.09 1wyq h GLU 96 Cb 1.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1wyq h GLU 96 CO 1.20 0.14 -0.32 0.87 0.07 0.00 0.00 179.01 180.96 1wyq h LYS 97 N 0.21 0.00 0.00 1.06 1.79 -1.89 0.90 116.57 118.64 1wyq h LYS 97 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1wyq h LYS 97 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1wyq h LYS 97 CO -0.04 0.32 -0.34 0.43 -1.08 0.00 0.00 179.45 178.74 1wyq n SER 98 N -3.62 0.58 -0.11 0.86 7.64 0.60 -3.89 113.62 115.67 1wyq n SER 98 Ca -0.01 0.23 -0.19 0.00 1.01 0.00 0.00 58.87 59.91 1wyq n SER 98 Cb 0.45 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.93 1.50 -0.53 0.44 5.41 -0.92 -4.31 119.36 119.02 1wyq n ILE 99 Ca 0.05 -0.12 0.44 0.00 1.00 0.00 0.00 62.75 64.12 1wyq n ILE 99 Cb 0.40 -2.10 0.75 0.00 -0.71 0.00 0.00 39.64 37.98 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 -0.98 0.15 -0.38 1.39 2.04 -1.01 0.92 117.51 119.65 1wyq h ILE 100 Ca -0.35 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 1wyq h ILE 100 Cb 1.29 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1wyq h ILE 100 CO -0.21 0.01 -0.13 0.74 0.00 0.00 0.00 178.15 178.56 1wyq h THR 101 N 0.04 1.28 0.55 -0.27 2.02 -1.78 -1.92 112.91 112.83 1wyq h THR 101 Ca 0.81 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1wyq h THR 101 Cb 3.01 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 70.72 1wyq h THR 101 CO -0.13 0.41 -0.27 0.22 0.37 0.00 0.00 175.52 176.12 1wyq h TYR 102 N 0.55 -0.69 -0.54 3.16 5.03 0.66 -3.09 116.97 122.05 1wyq h TYR 102 Ca 0.09 -0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.54 1wyq h TYR 102 Cb 0.66 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.14 1wyq h TYR 102 CO 0.05 -0.43 0.52 -0.24 -1.32 0.00 0.00 178.16 176.74 1wyq h VAL 103 N -1.08 0.40 0.00 1.81 3.04 -1.47 0.29 116.25 119.25 1wyq h VAL 103 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 1wyq h VAL 103 Cb 0.57 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1wyq h VAL 103 CO 0.12 0.00 -0.03 0.00 -1.01 0.00 0.00 177.57 176.65 1wyq h ALA 104 N 1.47 1.82 -0.49 3.17 0.00 -1.25 -2.11 119.26 121.87 1wyq h ALA 104 Ca 0.26 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1wyq h ALA 104 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1wyq h ALA 104 CO -0.00 0.04 -0.15 1.79 0.00 0.00 0.00 179.25 180.93 1wyq h THR 105 N 0.00 1.27 -0.95 0.00 1.35 -0.47 -2.34 112.91 111.77 1wyq h THR 105 Ca -0.00 -1.29 0.09 0.00 -0.55 0.00 0.00 66.41 64.66 1wyq h THR 105 Cb 0.06 1.08 -0.07 0.00 -1.73 0.00 0.00 68.15 67.49 1wyq h THR 105 CO 0.00 0.45 0.61 1.88 -0.25 0.00 0.00 175.52 178.21 1wyq h TYR 106 N 0.82 1.07 0.29 4.73 -1.99 -1.48 0.31 116.97 120.71 1wyq h TYR 106 Ca 0.12 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 1wyq h TYR 106 Cb 0.71 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1wyq h TYR 106 CO 0.05 0.49 -0.14 -0.92 -0.00 0.00 0.00 178.16 177.64 1wyq h TYR 107 N 0.99 -0.35 0.10 4.88 3.20 -1.52 -2.72 116.97 121.55 1wyq h TYR 107 Ca 0.44 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.32 1wyq h TYR 107 Cb 0.37 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1wyq h TYR 107 CO -0.00 -0.03 -0.27 0.45 -1.64 0.00 0.00 178.16 176.67 1wyq h HIS 108 N -0.97 -0.73 0.00 -3.82 3.86 -1.21 0.19 115.15 112.48 1wyq h HIS 108 Ca -0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1wyq h HIS 108 Cb 0.48 0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1wyq h HIS 108 CO 0.04 -0.37 0.00 0.98 0.86 0.00 0.00 177.93 179.44 1wyq n TYR 109 N -5.38 0.00 -0.33 2.45 9.36 0.11 -0.54 117.16 122.83 1wyq n TYR 109 Ca -0.06 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.35 1wyq n TYR 109 Cb 0.30 -0.34 0.40 0.00 -0.63 0.00 0.00 39.34 39.07 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 0.86 -0.34 2.98 0.04 -1.50 0.15 116.94 119.13 1wyq h PHE 110 Ca 0.00 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.85 1wyq h PHE 110 Cb 0.00 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.89 1wyq h PHE 110 CO -0.23 -0.09 0.11 1.03 -0.60 0.00 0.00 178.31 178.53 1wyq h SER 111 N 0.41 0.11 -0.99 2.17 0.87 -0.01 -2.39 113.55 113.72 1wyq h SER 111 Ca 0.66 0.04 0.27 0.00 -1.23 0.00 0.00 61.79 61.53 1wyq h SER 111 Cb 1.39 0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 63.19 1wyq h SER 111 CO -0.56 0.10 0.03 0.11 -0.53 0.00 0.00 176.83 175.97 1wyq h LYS 112 N 0.25 0.01 -6.12 2.24 1.57 0.19 -3.38 116.57 111.33 1wyq h LYS 112 Ca 0.15 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.71 1wyq h LYS 112 Cb 0.13 -0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.57 1wyq h LYS 112 CO -0.16 0.00 -0.15 -1.33 -0.57 0.00 0.00 179.45 177.24 1wyq n MET 113 N -5.49 -2.73 -1.53 3.15 2.81 -0.90 -4.61 117.12 107.81 1wyq n MET 113 Ca 0.23 -0.81 -0.38 0.00 -1.81 0.00 0.00 57.70 54.93 1wyq n MET 113 Cb 0.76 -1.53 -0.07 0.00 -0.71 0.00 0.00 33.22 31.68 1wyq n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1wyq n LYS 114 N -2.39 0.77 -3.54 0.03 4.01 -1.26 -4.83 118.16 110.94 1wyq n LYS 114 Ca 0.07 0.02 -0.07 0.00 -0.51 0.00 0.00 58.31 57.82 1wyq n LYS 114 Cb 0.35 -2.87 -0.02 0.00 -0.51 0.00 0.00 35.03 31.99 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wyq s ALA 115 N 11.11 -1.81 0.25 7.82 0.00 -1.26 -5.08 121.76 132.78 1wyq s ALA 115 Ca 1.09 0.89 -0.28 0.00 0.00 0.00 0.00 51.96 53.66 1wyq s ALA 115 Cb -0.50 0.44 -0.15 0.00 0.00 0.00 0.00 23.12 22.90 1wyq s ALA 115 CO 0.33 -0.74 0.82 1.47 0.00 0.00 0.00 175.76 177.64 1wyq n LEU 116 N -0.28 0.59 -3.59 0.00 -0.00 -1.26 -4.98 117.00 107.48 1wyq n LEU 116 Ca -0.08 1.16 -0.11 0.00 -0.00 0.00 0.00 56.01 56.98 1wyq n LEU 116 Cb 0.62 -1.15 -0.06 0.00 -0.00 0.00 0.00 43.42 42.82 1wyq n LEU 116 CO 0.11 -2.02 0.70 0.00 -0.00 0.00 0.00 177.39 176.18 1wyq s ALA 117 N -1.01 -1.92 -0.08 1.47 0.00 -1.26 -5.02 121.76 113.94 1wyq s ALA 117 Ca 0.61 1.66 -0.03 0.00 0.00 0.00 0.00 51.96 54.20 1wyq s ALA 117 Cb -0.80 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 21.50 1wyq s ALA 117 CO 0.58 -0.30 0.10 0.08 0.00 0.00 0.00 175.76 176.22 1wyq s VAL 118 N -0.64 -0.15 -1.27 0.00 1.01 -1.26 -4.88 120.40 113.22 1wyq s VAL 118 Ca -0.01 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1wyq s VAL 118 Cb -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1wyq s VAL 118 CO 0.00 0.06 0.87 -0.62 0.00 0.00 0.00 175.10 175.41 1wyq n GLU 119 N 5.30 -5.87 0.00 2.72 1.02 -1.26 -5.00 120.64 117.55 1wyq n GLU 119 Ca -0.04 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1wyq n GLU 119 Cb 0.50 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 1wyq n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wyq n GLY 120 N -1.39 2.68 3.92 0.62 0.00 -1.26 -5.12 105.19 104.64 1wyq n GLY 120 Ca -0.27 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 1wyq n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyq s LYS 121 N 4.22 3.57 -0.02 1.61 -0.14 -1.26 -4.98 119.74 122.74 1wyq s LYS 121 Ca 0.00 -0.18 0.08 0.00 -1.36 0.00 0.00 55.97 54.51 1wyq s LYS 121 Cb 0.00 -2.74 0.28 0.00 -1.68 0.00 0.00 37.83 33.69 1wyq s LYS 121 CO 0.00 0.31 1.17 -1.13 -0.76 0.00 0.00 175.35 174.94 1wyq n SER 122 N -0.82 1.90 -3.04 2.83 3.41 -1.26 -4.97 113.62 111.66 1wyq n SER 122 Ca -0.03 -2.08 -0.01 0.00 -0.26 0.00 0.00 58.87 56.48 1wyq n SER 122 Cb 0.54 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1wyq n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 123 N 0.82 -1.41 3.69 5.00 0.00 -1.26 -4.94 105.19 107.09 1wyq n GLY 123 Ca 0.10 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 1wyq n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyq s PRO 124 N -1.28 0.77 0.13 1.61 0.04 -1.26 -5.09 135.00 129.92 1wyq s PRO 124 Ca 0.02 0.64 -0.05 0.00 0.04 0.00 0.00 61.00 61.65 1wyq s PRO 124 Cb -0.00 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1wyq s PRO 124 CO 0.29 -2.53 0.14 -1.12 0.04 0.00 0.00 177.00 173.82 1wyq s SER 125 N -3.44 0.21 -0.30 6.66 0.01 -1.26 -5.16 113.70 110.42 1wyq s SER 125 Ca 0.65 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.73 1wyq s SER 125 Cb -0.18 0.34 0.18 0.00 0.21 0.00 0.00 66.02 66.56 1wyq s SER 125 CO 0.57 -0.78 1.11 -0.94 0.41 0.00 0.00 173.24 173.62 1wyq s SER 126 N -2.99 -0.33 0.00 2.44 1.04 -1.26 -5.32 113.70 107.28 1wyq s SER 126 Ca 0.18 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1wyq s SER 126 Cb 0.06 1.26 0.00 0.00 0.10 0.00 0.00 66.02 67.44 1wyq s SER 126 CO -0.01 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.74