#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 -0.90 0.96 1.61 0.15 -1.26 -5.10 113.70 109.17 1wyq s SER 2 Ca 0.00 1.25 -0.16 0.00 0.70 0.00 0.00 55.95 57.74 1wyq s SER 2 Cb 0.00 1.97 0.19 0.00 -1.71 0.00 0.00 66.02 66.48 1wyq s SER 2 CO 0.00 -0.18 1.29 -0.44 1.20 0.00 0.00 173.24 175.12 1wyq s SER 3 N 2.60 3.10 0.00 5.45 0.01 -1.26 -4.92 113.70 118.69 1wyq s SER 3 Ca -0.05 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1wyq s SER 3 Cb -0.09 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1wyq s SER 3 CO -0.18 -2.75 0.00 0.61 0.41 0.00 0.00 173.24 171.33 1wyq n GLY 4 N -3.51 -3.40 3.55 3.44 0.00 -1.26 -4.85 105.19 99.16 1wyq n GLY 4 Ca 0.14 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.36 4.62 -0.43 1.61 0.01 -0.88 -4.91 113.70 112.37 1wyq s SER 5 Ca 0.00 0.53 -0.12 0.00 1.31 0.00 0.00 55.95 57.68 1wyq s SER 5 Cb 0.00 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.77 1wyq s SER 5 CO 0.00 -2.91 0.29 -0.44 0.41 0.00 0.00 173.24 170.59 1wyq s SER 6 N 10.50 5.83 0.78 2.44 0.01 -1.26 -4.33 113.70 127.67 1wyq s SER 6 Ca 0.86 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wyq s SER 6 Cb -0.14 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1wyq s SER 6 CO 0.19 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1wyq n GLY 7 N 5.03 -0.65 0.10 3.44 0.00 -1.26 -5.05 105.19 106.79 1wyq n GLY 7 Ca -0.11 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.00 0.86 -1.86 4.61 0.00 -1.26 -4.70 120.51 115.16 1wyq n ALA 8 Ca 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 1wyq n ALA 8 Cb 0.00 0.01 0.12 0.00 0.00 0.00 0.00 19.45 19.58 1wyq n ALA 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wyq n LYS 9 N -4.44 2.29 0.00 0.00 4.01 -1.26 -4.70 118.16 114.06 1wyq n LYS 9 Ca -0.22 -3.58 -0.03 0.00 -0.51 0.00 0.00 58.31 53.97 1wyq n LYS 9 Cb 0.56 -1.79 -0.01 0.00 -0.51 0.00 0.00 35.03 33.28 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1wyq n ASP 10 N -0.85 1.29 -0.09 4.39 8.00 -1.26 -3.93 116.55 124.10 1wyq n ASP 10 Ca 0.27 0.19 0.09 0.00 0.71 0.00 0.00 54.79 56.05 1wyq n ASP 10 Cb 0.83 -0.45 0.45 0.00 -0.02 0.00 0.00 41.12 41.93 1wyq n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wyq h ALA 11 N -0.37 1.88 0.00 2.24 0.00 -1.86 0.11 119.26 121.27 1wyq h ALA 11 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1wyq h ALA 11 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wyq h ALA 11 CO 0.00 0.01 -0.43 1.25 0.00 0.00 0.00 179.25 180.08 1wyq h LEU 12 N 0.51 0.00 -1.08 0.00 5.85 -1.84 -3.01 115.31 115.75 1wyq h LEU 12 Ca 0.26 -0.36 0.20 0.00 0.84 0.00 0.00 57.88 58.82 1wyq h LEU 12 Cb 0.36 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 1wyq h LEU 12 CO -0.08 0.92 0.61 0.25 -0.34 0.00 0.00 178.44 179.81 1wyq h LEU 13 N -1.00 0.72 -0.30 2.25 5.85 -1.66 0.07 115.31 121.25 1wyq h LEU 13 Ca -0.08 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1wyq h LEU 13 Cb 0.68 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1wyq h LEU 13 CO -0.05 0.24 -0.39 0.25 -0.34 0.00 0.00 178.44 178.15 1wyq h LEU 14 N 0.69 0.86 0.30 2.25 5.85 -0.93 -2.53 115.31 121.81 1wyq h LEU 14 Ca 0.58 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wyq h LEU 14 Cb 0.99 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1wyq h LEU 14 CO -0.36 1.19 -0.47 -0.25 -0.34 0.00 0.00 178.44 178.21 1wyq h TRP 15 N 0.55 -1.31 -0.85 1.25 7.01 -0.86 -0.89 115.95 120.87 1wyq h TRP 15 Ca 0.03 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.11 1wyq h TRP 15 Cb 0.99 0.53 -0.05 0.00 -2.10 0.00 0.00 29.16 28.53 1wyq h TRP 15 CO 0.07 -0.59 0.55 0.00 -2.79 0.00 0.00 178.44 175.68 1wyq h GLN 17 N 0.98 1.17 -0.08 0.00 4.20 -0.92 0.35 115.11 120.80 1wyq h GLN 17 Ca 0.36 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.93 1wyq h GLN 17 Cb 0.16 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1wyq h GLN 17 CO -0.12 0.77 -0.21 0.52 -0.67 0.00 0.00 178.83 179.12 1wyq h MET 18 N 1.20 0.28 0.73 1.46 2.86 -0.18 -2.38 114.93 118.91 1wyq h MET 18 Ca 0.37 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1wyq h MET 18 Cb -0.01 0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1wyq h MET 18 CO -0.11 0.81 -0.35 0.87 1.06 0.00 0.00 176.91 179.19 1wyq h LYS 19 N -0.20 -0.95 -0.29 1.72 1.79 -1.00 -2.80 116.57 114.85 1wyq h LYS 19 Ca -0.00 0.06 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 1wyq h LYS 19 Cb 0.82 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1wyq h LYS 19 CO 0.05 -0.61 0.33 1.79 -1.08 0.00 0.00 179.45 179.92 1wyq h THR 20 N -1.17 0.40 -0.74 -0.16 1.35 -0.44 -2.06 112.91 110.08 1wyq h THR 20 Ca -0.10 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.93 1wyq h THR 20 Cb 0.78 0.74 -0.13 0.00 -1.73 0.00 0.00 68.15 67.81 1wyq h THR 20 CO 0.17 0.00 0.03 0.00 -0.25 0.00 0.00 175.52 175.47 1wyq h ALA 21 N 1.62 0.80 -0.83 6.62 0.00 -1.14 -0.18 119.26 126.15 1wyq h ALA 21 Ca 0.14 0.23 0.35 0.00 0.00 0.00 0.00 54.91 55.62 1wyq h ALA 21 Cb 0.79 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 1wyq h ALA 21 CO -0.00 -0.41 0.44 0.41 0.00 0.00 0.00 179.25 179.69 1wyq n GLY 22 N -1.40 -0.63 3.74 0.00 0.00 -0.78 -4.10 105.19 102.02 1wyq n GLY 22 Ca 0.13 0.67 -0.35 0.00 0.00 0.00 0.00 46.02 46.47 1wyq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wyq s TYR 23 N -5.27 3.36 -0.02 1.61 1.51 -0.08 -5.03 117.35 113.43 1wyq s TYR 23 Ca -0.08 0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 56.01 1wyq s TYR 23 Cb 0.28 -1.96 -0.19 0.00 -0.11 0.00 0.00 41.96 39.97 1wyq s TYR 23 CO 0.65 0.44 1.22 -1.00 -1.11 0.00 0.00 175.55 175.75 1wyq h PRO 24 N 5.72 -0.07 -0.58 -1.71 0.13 -1.82 -3.27 132.00 130.41 1wyq h PRO 24 Ca -0.47 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1wyq h PRO 24 Cb 1.19 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1wyq h PRO 24 CO 0.63 0.39 0.13 -0.91 -0.23 0.00 0.00 178.00 178.00 1wyq h ASN 25 N -0.56 0.01 -3.17 1.44 4.21 -1.94 -3.40 115.58 112.18 1wyq h ASN 25 Ca -0.01 0.11 -0.53 0.00 1.21 0.00 0.00 56.30 57.08 1wyq h ASN 25 Cb 0.49 0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.84 1wyq h ASN 25 CO 0.01 0.02 0.61 -0.69 -1.29 0.00 0.00 177.43 176.09 1wyq s VAL 26 N -6.11 3.78 -0.12 2.81 1.01 -1.23 -5.02 120.40 115.51 1wyq s VAL 26 Ca -0.13 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.09 1wyq s VAL 26 Cb 0.17 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1wyq s VAL 26 CO 0.74 0.11 0.26 0.54 0.00 0.00 0.00 175.10 176.75 1wyq s ASN 27 N 0.98 -0.10 -0.36 3.32 2.20 -1.26 -4.66 114.94 115.05 1wyq s ASN 27 Ca 0.60 0.57 -0.10 0.00 -0.94 0.00 0.00 52.86 52.99 1wyq s ASN 27 Cb -0.32 0.52 0.03 0.00 -2.00 0.00 0.00 41.25 39.48 1wyq s ASN 27 CO 0.30 -0.19 0.17 -0.69 -2.94 0.00 0.00 177.10 173.75 1wyq s VAL 28 N 1.61 4.36 0.00 3.54 1.01 -1.26 -4.85 120.40 124.81 1wyq s VAL 28 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1wyq s VAL 28 Cb -0.11 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1wyq s VAL 28 CO -0.09 -0.18 0.27 0.00 0.00 0.00 0.00 175.10 175.10 1wyq n HIS 29 N 4.95 0.00 -3.85 5.22 1.44 -1.26 -4.78 115.22 116.94 1wyq n HIS 29 Ca -0.12 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.60 1wyq n HIS 29 Cb 0.46 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.58 1wyq n HIS 29 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1wyq s ASN 30 N -0.02 -0.02 -0.32 4.39 6.03 -1.26 -5.03 114.94 118.72 1wyq s ASN 30 Ca 0.00 -0.24 0.09 0.00 -1.03 0.00 0.00 52.86 51.67 1wyq s ASN 30 Cb 0.00 0.20 0.57 0.00 -3.03 0.00 0.00 41.25 39.00 1wyq s ASN 30 CO 0.00 -0.40 1.60 0.49 -2.03 0.00 0.00 177.10 176.77 1wyq n PHE 31 N -0.73 1.68 0.00 1.54 3.72 -1.26 -4.25 117.46 118.16 1wyq n PHE 31 Ca -0.01 -1.52 0.00 0.00 -0.05 0.00 0.00 57.45 55.86 1wyq n PHE 31 Cb 0.60 -0.60 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 -0.94 0.00 -0.02 4.37 -2.24 -1.26 -3.75 114.28 110.43 1wyq n THR 32 Ca 0.39 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1wyq n THR 32 Cb 1.21 -0.57 0.10 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.39 1.95 -0.01 4.28 -2.24 -1.26 -3.52 114.28 111.08 1wyq n THR 33 Ca 0.00 -0.87 0.01 0.00 -2.27 0.00 0.00 64.05 60.92 1wyq n THR 33 Cb 0.00 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.20 4.13 -0.00 3.42 2.88 -1.26 -4.65 113.62 117.93 1wyq n SER 34 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wyq n SER 34 Cb 1.01 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 65.45 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 -1.80 0.00 0.32 0.66 7.02 -1.24 -4.34 117.44 118.06 1wyq n TRP 35 Ca -0.02 -0.47 -0.17 0.00 -1.02 0.00 0.00 57.50 55.81 1wyq n TRP 35 Cb 0.27 -0.05 -0.09 0.00 -2.42 0.00 0.00 31.31 29.03 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 0.01 -0.86 -0.34 -0.99 2.43 -1.80 -3.08 114.38 109.74 1wyq h ARG 36 Ca 0.00 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1wyq h ARG 36 Cb 0.47 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1wyq h ARG 36 CO 0.00 -0.57 0.06 -0.44 -1.51 0.00 0.00 179.97 177.51 1wyq h ASP 37 N -0.89 0.54 0.00 -3.80 3.32 -1.90 -3.28 116.42 110.41 1wyq h ASP 37 Ca -0.07 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1wyq h ASP 37 Cb 0.73 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1wyq h ASP 37 CO 0.05 0.66 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 1wyq n GLY 38 N -0.49 0.79 0.30 2.75 0.00 -1.17 -4.34 105.19 103.03 1wyq n GLY 38 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.06 -0.18 0.99 4.77 -1.26 0.61 117.00 121.87 1wyq n LEU 39 Ca 0.00 1.47 -0.04 0.00 -0.03 0.00 0.00 56.01 57.41 1wyq n LEU 39 Cb 0.00 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1wyq n LEU 39 CO 0.00 -1.50 0.67 0.00 -1.33 0.00 0.00 177.39 175.22 1wyq h ALA 40 N 1.73 0.07 -0.92 -1.18 0.00 -1.92 0.47 119.26 117.51 1wyq h ALA 40 Ca 0.55 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1wyq h ALA 40 Cb 1.18 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1wyq h ALA 40 CO -0.80 -0.61 0.58 0.74 0.00 0.00 0.00 179.25 179.16 1wyq h PHE 41 N -0.14 1.18 0.00 0.00 0.04 -0.17 -0.13 116.94 117.73 1wyq h PHE 41 Ca 0.24 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1wyq h PHE 41 Cb 0.52 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1wyq h PHE 41 CO -0.57 0.77 0.00 0.09 -0.60 0.00 0.00 178.31 178.00 1wyq n ASN 42 N -4.41 0.00 -0.10 2.17 3.02 0.13 -3.22 115.26 112.86 1wyq n ASN 42 Ca 0.10 -0.67 -0.15 0.00 -0.03 0.00 0.00 54.58 53.84 1wyq n ASN 42 Cb 0.04 -0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.09 1.40 0.04 5.41 0.00 0.14 -3.82 120.51 122.60 1wyq n ALA 43 Ca 0.19 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.40 1wyq n ALA 43 Cb 0.14 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 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 1.11 0.79 0.00 2.04 -1.29 -3.05 117.51 117.12 1wyq h ILE 44 Ca -0.53 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1wyq h ILE 44 Cb 2.04 1.47 0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1wyq h ILE 44 CO -0.02 0.14 -0.38 0.58 0.00 0.00 0.00 178.15 178.47 1wyq h VAL 45 N -0.32 0.00 -0.78 1.67 2.07 -1.79 -2.88 116.25 114.22 1wyq h VAL 45 Ca -0.01 -0.06 0.32 0.00 0.82 0.00 0.00 66.70 67.77 1wyq h VAL 45 Cb 0.29 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.92 1wyq h VAL 45 CO 0.01 0.00 0.41 1.57 0.02 0.00 0.00 177.57 179.58 1wyq n HIS 46 N -5.02 0.90 -0.12 1.57 -0.00 -1.25 0.23 115.22 111.53 1wyq n HIS 46 Ca -0.13 0.92 -0.09 0.00 -0.00 0.00 0.00 57.72 58.42 1wyq n HIS 46 Cb 0.42 -1.33 -0.01 0.00 -0.00 0.00 0.00 29.99 29.07 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 0.54 0.04 1.57 1.63 -1.39 -1.66 116.57 117.30 1wyq h LYS 47 Ca 0.65 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1wyq h LYS 47 Cb 1.72 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.26 1wyq h LYS 47 CO -0.60 0.47 -0.02 0.45 -3.45 0.00 0.00 179.45 176.30 1wyq h HIS 48 N 0.47 -0.05 -3.14 1.91 3.86 0.30 -3.41 115.15 115.09 1wyq h HIS 48 Ca 0.13 -0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.71 1wyq h HIS 48 Cb 0.11 0.02 -0.41 0.00 1.06 0.00 0.00 27.41 28.19 1wyq h HIS 48 CO -0.02 0.54 -0.67 1.03 0.86 0.00 0.00 177.93 179.68 1wyq s ARG 49 N -2.49 1.82 0.00 2.45 1.81 0.14 -4.94 118.95 117.74 1wyq s ARG 49 Ca -0.13 -2.57 0.11 0.00 -1.72 0.00 0.00 55.73 51.42 1wyq s ARG 49 Cb -0.01 -2.93 0.65 0.00 -0.45 0.00 0.00 34.95 32.21 1wyq s ARG 49 CO 0.47 -1.18 1.09 -0.35 -0.68 0.00 0.00 175.30 174.65 1wyq n PRO 50 N 2.97 0.48 -0.04 3.54 -0.04 -0.63 -2.80 135.00 138.49 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 0.34 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.25 -0.32 3.54 1.82 -1.92 -3.40 116.42 116.40 1wyq h ASP 51 Ca 0.00 -0.77 0.04 0.00 -0.39 0.00 0.00 57.03 55.91 1wyq h ASP 51 Cb 0.00 -0.08 -0.07 0.00 0.68 0.00 0.00 39.33 39.86 1wyq h ASP 51 CO 0.00 1.68 -0.49 -0.07 -1.61 0.00 0.00 179.24 178.75 1wyq h LEU 52 N -0.41 -1.62 -9.61 2.28 3.38 -1.93 -3.44 115.31 103.97 1wyq h LEU 52 Ca -0.37 0.21 -0.59 0.00 0.09 0.00 0.00 57.88 57.22 1wyq h LEU 52 Cb 1.71 0.66 -0.13 0.00 0.09 0.00 0.00 40.66 42.98 1wyq h LEU 52 CO -0.03 -0.37 -0.55 -1.48 0.09 0.00 0.00 178.44 176.10 1wyq s LEU 53 N -9.73 2.25 -0.17 1.67 2.34 -1.26 -5.08 118.68 108.70 1wyq s LEU 53 Ca -0.13 -1.56 0.01 0.00 0.06 0.00 0.00 54.13 52.52 1wyq s LEU 53 Cb 0.07 -0.47 -0.11 0.00 -0.56 0.00 0.00 46.19 45.12 1wyq s LEU 53 CO 0.54 -0.77 -0.15 0.47 -1.06 0.00 0.00 176.35 175.38 1wyq n ASP 54 N -1.11 2.64 -2.11 1.48 8.00 -1.26 -4.74 116.55 119.46 1wyq n ASP 54 Ca -0.09 -0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 1wyq n ASP 54 Cb 0.66 -0.27 0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1wyq n ASP 54 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1wyq n PHE 55 N -3.01 -1.21 0.00 1.24 7.35 -1.26 -4.88 117.46 115.69 1wyq n PHE 55 Ca -0.31 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1wyq n PHE 55 Cb 0.83 -3.46 0.00 0.00 0.35 0.00 0.00 39.48 37.20 1wyq n PHE 55 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1wyq n GLU 56 N -2.94 1.53 -0.06 -4.13 0.28 -1.26 -4.76 120.64 109.30 1wyq n GLU 56 Ca -0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.73 1wyq n GLU 56 Cb 0.61 -0.98 -0.06 0.00 1.43 0.00 0.00 31.44 32.44 1wyq n GLU 56 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1wyq h SER 57 N 0.00 0.82 -0.03 -1.84 4.64 -2.03 -3.45 113.55 111.67 1wyq h SER 57 Ca 0.00 -0.57 -0.60 0.00 -0.47 0.00 0.00 61.79 60.15 1wyq h SER 57 Cb 0.96 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1wyq h SER 57 CO 0.00 1.24 1.00 0.18 -0.87 0.00 0.00 176.83 178.39 1wyq n LEU 58 N -4.12 0.59 -1.38 5.97 4.77 -1.26 -4.73 117.00 116.84 1wyq n LEU 58 Ca -0.06 0.54 -0.07 0.00 -0.03 0.00 0.00 56.01 56.39 1wyq n LEU 58 Cb 0.61 -0.69 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1wyq n LEU 58 CO 0.49 -0.60 0.77 1.17 -1.33 0.00 0.00 177.39 177.89 1wyq n LYS 59 N 5.69 1.34 -2.43 3.23 4.81 -1.26 -4.82 118.16 124.72 1wyq n LYS 59 Ca 0.42 -0.80 -0.08 0.00 -0.87 0.00 0.00 58.31 56.98 1wyq n LYS 59 Cb -0.03 -1.31 -0.02 0.00 0.02 0.00 0.00 35.03 33.69 1wyq n LYS 59 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1wyq n LYS 60 N 0.19 -2.03 0.04 1.64 2.85 -1.26 -4.53 118.16 115.05 1wyq n LYS 60 Ca 0.16 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1wyq n LYS 60 Cb 0.77 -3.35 0.00 0.00 -0.65 0.00 0.00 35.03 31.79 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wyq s ASN 62 N -5.36 6.34 0.42 0.00 4.22 -1.26 -4.74 114.94 114.56 1wyq s ASN 62 Ca 0.00 -2.17 0.16 0.00 -2.14 0.00 0.00 52.86 48.71 1wyq s ASN 62 Cb 0.00 -2.58 0.92 0.00 1.28 0.00 0.00 41.25 40.86 1wyq s ASN 62 CO 0.00 -1.69 1.91 0.00 -2.04 0.00 0.00 177.10 175.28 1wyq h ALA 63 N 8.28 1.42 -0.01 3.54 0.00 -1.91 -2.07 119.26 128.51 1wyq h ALA 63 Ca 0.37 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wyq h ALA 63 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wyq h ALA 63 CO 1.40 0.35 -0.06 1.25 0.00 0.00 0.00 179.25 182.19 1wyq h HIS 64 N 0.00 -0.14 -0.21 0.00 -0.00 -1.85 0.70 115.15 113.64 1wyq h HIS 64 Ca -0.00 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.19 1wyq h HIS 64 Cb 0.53 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1wyq h HIS 64 CO 0.00 -0.09 -0.56 -0.92 -0.00 0.00 0.00 177.93 176.36 1wyq h TYR 65 N -0.10 0.97 -0.03 5.26 5.03 -1.90 -2.32 116.97 123.88 1wyq h TYR 65 Ca 0.03 -0.38 0.02 0.00 2.58 0.00 0.00 58.73 60.98 1wyq h TYR 65 Cb 0.13 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 1wyq h TYR 65 CO -0.13 1.19 -0.11 -0.91 -1.32 0.00 0.00 178.16 176.87 1wyq h ASN 66 N 0.48 -0.34 0.00 -2.11 4.21 -1.21 0.18 115.58 116.80 1wyq h ASN 66 Ca -0.01 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1wyq h ASN 66 Cb 1.18 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.53 1wyq h ASN 66 CO 0.12 -0.16 0.00 0.18 -1.29 0.00 0.00 177.43 176.28 1wyq n LEU 67 N -5.25 0.03 -0.31 1.61 4.77 0.22 -2.58 117.00 115.50 1wyq n LEU 67 Ca -0.05 0.86 0.31 0.00 -0.03 0.00 0.00 56.01 57.10 1wyq n LEU 67 Cb 0.17 -0.48 0.57 0.00 -2.33 0.00 0.00 43.42 41.35 1wyq n LEU 67 CO 0.26 -0.48 1.03 0.00 -1.33 0.00 0.00 177.39 176.87 1wyq n GLN 68 N -1.93 -0.06 0.24 3.23 10.64 -0.87 0.04 117.38 128.67 1wyq n GLN 68 Ca 0.00 1.35 -0.16 0.00 -1.83 0.00 0.00 57.00 56.36 1wyq n GLN 68 Cb 0.00 -2.42 -0.08 0.00 -0.86 0.00 0.00 30.24 26.88 1wyq n GLN 68 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1wyq h ASN 69 N 0.00 -1.02 0.10 2.61 -1.24 -0.92 0.44 115.58 115.55 1wyq h ASN 69 Ca 0.82 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.92 1wyq h ASN 69 Cb 2.16 0.34 -0.01 0.00 0.73 0.00 0.00 38.32 41.54 1wyq h ASN 69 CO -0.76 -0.52 -0.10 0.00 -1.29 0.00 0.00 177.43 174.75 1wyq h ALA 70 N -0.37 -0.19 -0.46 1.57 0.00 -0.11 0.10 119.26 119.79 1wyq h ALA 70 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1wyq h ALA 70 Cb 0.70 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1wyq h ALA 70 CO -0.06 -0.62 -0.12 0.74 0.00 0.00 0.00 179.25 179.18 1wyq h PHE 71 N -0.22 -0.27 0.64 0.00 0.04 -1.12 0.15 116.94 116.16 1wyq h PHE 71 Ca 0.01 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1wyq h PHE 71 Cb 0.22 0.19 0.01 0.00 2.20 0.00 0.00 35.95 38.56 1wyq h PHE 71 CO -0.12 -0.21 -0.31 -0.91 -0.60 0.00 0.00 178.31 176.17 1wyq h ASN 72 N -0.01 -0.73 -0.11 2.17 2.35 -0.68 -1.00 115.58 117.58 1wyq h ASN 72 Ca 0.22 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1wyq h ASN 72 Cb 0.35 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.85 1wyq h ASN 72 CO -0.48 -0.45 -0.49 -0.07 -1.65 0.00 0.00 177.43 174.29 1wyq h LEU 73 N -0.97 -1.55 -2.05 1.61 3.38 -0.60 0.45 115.31 115.58 1wyq h LEU 73 Ca -0.09 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1wyq h LEU 73 Cb 0.69 0.60 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1wyq h LEU 73 CO 0.14 -0.44 0.35 0.00 0.09 0.00 0.00 178.44 178.58 1wyq h ALA 74 N -0.43 2.21 0.00 1.53 0.00 -0.75 1.18 119.26 123.00 1wyq h ALA 74 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1wyq h ALA 74 Cb 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wyq h ALA 74 CO -0.39 -0.56 -0.38 1.49 0.00 0.00 0.00 179.25 179.41 1wyq h GLU 75 N 0.00 0.00 0.00 0.00 4.81 0.72 0.11 114.58 120.22 1wyq h GLU 75 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1wyq h GLU 75 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1wyq h GLU 75 CO -0.00 0.22 -0.33 1.17 -0.73 0.00 0.00 179.01 179.34 1wyq n LYS 76 N -3.10 0.18 0.04 1.92 4.81 0.13 -3.73 118.16 118.40 1wyq n LYS 76 Ca 0.02 0.07 -0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1wyq n LYS 76 Cb 0.64 -0.76 -0.01 0.00 0.02 0.00 0.00 35.03 34.91 1wyq n LYS 76 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wyq h GLU 77 N -0.33 -0.13 -0.63 1.64 4.39 0.95 -3.14 114.58 117.33 1wyq h GLU 77 Ca 0.00 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1wyq h GLU 77 Cb 0.33 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1wyq h GLU 77 CO 0.00 -0.09 0.22 -0.07 -1.16 0.00 0.00 179.01 177.91 1wyq h LEU 78 N -0.13 0.90 -0.60 1.33 3.38 -1.59 -3.48 115.31 115.13 1wyq h LEU 78 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wyq h LEU 78 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1wyq h LEU 78 CO -0.01 0.86 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1wyq n GLY 79 N -0.76 0.74 3.31 0.83 0.00 0.01 -5.00 105.19 104.32 1wyq n GLY 79 Ca 0.04 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1wyq n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyq n LEU 80 N -0.30 0.00 -4.14 0.99 4.77 0.16 -4.95 117.00 113.53 1wyq n LEU 80 Ca 0.00 -2.43 -0.34 0.00 -0.03 0.00 0.00 56.01 53.22 1wyq n LEU 80 Cb 0.20 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1wyq n LEU 80 CO 0.00 -0.57 -0.42 -0.89 -1.33 0.00 0.00 177.39 174.18 1wyq s THR 81 N -2.32 2.59 -0.01 -5.08 2.01 -1.26 -4.24 115.64 107.33 1wyq s THR 81 Ca 0.31 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 1wyq s THR 81 Cb -0.02 -2.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.01 1wyq s THR 81 CO 0.20 0.08 1.82 -1.59 -0.69 0.00 0.00 174.62 174.44 1wyq s LYS 82 N 1.23 4.14 -0.18 4.92 -2.85 -1.26 -4.87 119.74 120.88 1wyq s LYS 82 Ca -0.04 2.39 0.10 0.00 -1.00 0.00 0.00 55.97 57.43 1wyq s LYS 82 Cb -0.18 -4.08 -0.23 0.00 -2.06 0.00 0.00 37.83 31.28 1wyq s LYS 82 CO -0.05 -0.92 0.13 1.28 0.10 0.00 0.00 175.35 175.89 1wyq n LEU 83 N 7.41 1.23 -4.98 2.77 4.77 -1.26 -4.98 117.00 121.95 1wyq n LEU 83 Ca 0.19 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 1wyq n LEU 83 Cb 0.42 -0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1wyq n LEU 83 CO 0.65 0.63 0.56 -0.76 -1.33 0.00 0.00 177.39 177.15 1wyq s LEU 84 N -6.04 2.97 0.05 2.23 1.43 -1.26 -5.12 118.68 112.94 1wyq s LEU 84 Ca -0.17 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1wyq s LEU 84 Cb 0.07 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1wyq s LEU 84 CO 0.76 -1.87 -0.15 -1.81 0.23 0.00 0.00 176.35 173.50 1wyq s ASP 85 N -4.72 1.83 0.00 2.29 1.01 -1.26 -5.02 116.67 110.80 1wyq s ASP 85 Ca 0.66 -0.51 0.16 0.00 0.71 0.00 0.00 52.55 53.56 1wyq s ASP 85 Cb -0.06 -0.11 0.91 0.00 1.01 0.00 0.00 42.92 44.67 1wyq s ASP 85 CO 0.45 0.03 1.36 -0.81 0.21 0.00 0.00 175.17 176.40 1wyq n PRO 86 N 1.71 0.45 -0.00 8.23 -0.04 -1.26 -1.55 135.00 142.54 1wyq n PRO 86 Ca -0.19 0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 1wyq n PRO 86 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1wyq n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wyq n GLU 87 N -1.04 0.56 0.01 0.54 1.02 -1.26 -4.44 120.64 116.03 1wyq n GLU 87 Ca 0.11 -0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 1wyq n GLU 87 Cb 0.06 -1.09 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wyq h ASP 88 N 0.00 0.37 -0.16 1.62 5.19 -1.87 -3.38 116.42 118.19 1wyq h ASP 88 Ca -0.01 -0.79 -0.03 0.00 -0.62 0.00 0.00 57.03 55.58 1wyq h ASP 88 Cb 0.30 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1wyq h ASP 88 CO 0.00 1.70 -0.01 0.58 -3.12 0.00 0.00 179.24 178.39 1wyq h VAL 89 N 0.06 1.26 -0.44 -1.35 2.07 -1.56 -3.38 116.25 112.91 1wyq h VAL 89 Ca -0.39 -0.89 -0.17 0.00 0.82 0.00 0.00 66.70 66.08 1wyq h VAL 89 Cb 2.04 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 1wyq h VAL 89 CO 0.10 0.26 0.47 0.54 0.02 0.00 0.00 177.57 178.96 1wyq s ASN 90 N -5.82 4.42 0.09 0.57 4.22 -1.24 -4.58 114.94 112.60 1wyq s ASN 90 Ca -0.14 -0.73 -0.17 0.00 -2.14 0.00 0.00 52.86 49.68 1wyq s ASN 90 Cb 0.06 -2.57 0.03 0.00 1.28 0.00 0.00 41.25 40.05 1wyq s ASN 90 CO 0.72 -3.54 0.40 0.54 -2.04 0.00 0.00 177.10 173.18 1wyq s VAL 91 N 13.01 0.07 0.16 3.54 0.11 -1.26 -4.95 120.40 131.08 1wyq s VAL 91 Ca 0.78 -0.55 -0.22 0.00 -2.93 0.00 0.00 61.98 59.06 1wyq s VAL 91 Cb -0.07 -1.09 0.06 0.00 -1.53 0.00 0.00 36.38 33.75 1wyq s VAL 91 CO 0.08 -0.30 1.61 0.44 -3.33 0.00 0.00 175.10 173.60 1wyq h ASP 92 N 2.61 -0.99 -2.83 3.54 5.19 -1.96 -3.34 116.42 118.65 1wyq h ASP 92 Ca -0.33 0.18 -0.60 0.00 -0.62 0.00 0.00 57.03 55.66 1wyq h ASP 92 Cb 1.24 0.47 -0.39 0.00 0.18 0.00 0.00 39.33 40.82 1wyq h ASP 92 CO 0.46 -0.31 -0.83 -1.10 -3.12 0.00 0.00 179.24 174.34 1wyq s GLN 93 N -6.03 1.07 1.14 3.56 -0.21 -1.26 -4.75 119.66 113.17 1wyq s GLN 93 Ca -0.15 -1.97 -0.17 0.00 0.02 0.00 0.00 55.36 53.10 1wyq s GLN 93 Cb 0.13 -1.85 0.26 0.00 1.00 0.00 0.00 33.01 32.55 1wyq s GLN 93 CO 0.68 -1.26 1.10 -1.25 -2.12 0.00 0.00 175.29 172.44 1wyq s PRO 94 N 0.30 -0.70 -1.05 2.91 0.04 -1.25 -4.94 135.00 130.30 1wyq s PRO 94 Ca 0.23 0.13 -0.18 0.00 0.04 0.00 0.00 61.00 61.21 1wyq s PRO 94 Cb -0.13 -1.64 0.12 0.00 0.04 0.00 0.00 34.50 32.88 1wyq s PRO 94 CO -0.07 -3.41 1.33 -0.51 0.04 0.00 0.00 177.00 174.38 1wyq s ASP 95 N -3.73 6.72 0.50 6.66 1.01 -1.26 -4.84 116.67 121.73 1wyq s ASP 95 Ca 0.69 -2.17 0.35 0.00 0.71 0.00 0.00 52.55 52.13 1wyq s ASP 95 Cb -0.13 -2.46 1.49 0.00 1.01 0.00 0.00 42.92 42.84 1wyq s ASP 95 CO 0.57 -1.10 1.72 1.05 0.21 0.00 0.00 175.17 177.62 1wyq h GLU 96 N 8.53 0.08 -0.55 8.23 4.11 -1.92 0.62 114.58 133.68 1wyq h GLU 96 Ca 0.23 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.61 1wyq h GLU 96 Cb 0.97 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1wyq h GLU 96 CO 1.25 0.05 0.16 0.87 0.07 0.00 0.00 179.01 181.41 1wyq h LYS 97 N 0.08 0.86 0.00 1.06 6.56 -1.88 0.23 116.57 123.49 1wyq h LYS 97 Ca 0.69 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 1wyq h LYS 97 Cb 2.50 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 34.03 1wyq h LYS 97 CO -0.13 0.79 0.00 0.43 -2.06 0.00 0.00 179.45 178.48 1wyq n SER 98 N -4.44 0.00 -0.13 0.86 7.64 0.21 -3.51 113.62 114.26 1wyq n SER 98 Ca 0.02 0.24 -0.27 0.00 1.01 0.00 0.00 58.87 59.87 1wyq n SER 98 Cb 0.21 -0.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.40 1.53 -0.35 0.44 5.41 -0.75 -4.10 119.36 120.15 1wyq n ILE 99 Ca 0.08 -0.28 0.30 0.00 1.00 0.00 0.00 62.75 63.85 1wyq n ILE 99 Cb 0.23 -1.95 0.63 0.00 -0.71 0.00 0.00 39.64 37.84 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 0.41 -0.22 1.39 2.04 -0.63 0.54 117.51 120.03 1wyq h ILE 100 Ca -0.59 -0.06 -0.17 0.00 1.00 0.00 0.00 64.86 65.03 1wyq h ILE 100 Cb 1.51 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1wyq h ILE 100 CO -0.36 0.03 -0.56 0.74 0.00 0.00 0.00 178.15 178.00 1wyq h THR 101 N 0.19 1.30 0.44 -0.27 2.02 -1.76 -2.41 112.91 112.42 1wyq h THR 101 Ca 0.62 -1.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1wyq h THR 101 Cb 2.01 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1wyq h THR 101 CO -0.19 0.57 -0.21 0.22 0.37 0.00 0.00 175.52 176.27 1wyq h TYR 102 N 0.52 -0.54 -0.47 3.16 5.03 -0.13 -3.14 116.97 121.39 1wyq h TYR 102 Ca 0.01 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.44 1wyq h TYR 102 Cb 1.14 0.18 -0.02 0.00 1.55 0.00 0.00 36.73 39.58 1wyq h TYR 102 CO 0.06 -0.24 0.36 -0.24 -1.32 0.00 0.00 178.16 176.78 1wyq h VAL 103 N -1.04 0.67 -0.91 1.81 3.04 -1.30 -0.58 116.25 117.94 1wyq h VAL 103 Ca -0.06 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.74 1wyq h VAL 103 Cb 0.55 0.74 -0.07 0.00 -2.01 0.00 0.00 31.29 30.50 1wyq h VAL 103 CO 0.10 0.00 0.59 0.00 -1.01 0.00 0.00 177.57 177.25 1wyq h ALA 104 N 1.72 1.65 -0.81 3.17 0.00 -1.38 -1.36 119.26 122.25 1wyq h ALA 104 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1wyq h ALA 104 Cb 0.95 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1wyq h ALA 104 CO -0.00 0.14 0.53 1.79 0.00 0.00 0.00 179.25 181.71 1wyq h THR 105 N 0.87 1.19 -0.57 0.00 1.35 -1.16 -1.07 112.91 113.51 1wyq h THR 105 Ca 0.44 -0.37 0.07 0.00 -0.55 0.00 0.00 66.41 66.00 1wyq h THR 105 Cb 0.48 0.02 -0.06 0.00 -1.73 0.00 0.00 68.15 66.86 1wyq h THR 105 CO -0.20 0.20 0.25 1.88 -0.25 0.00 0.00 175.52 177.40 1wyq h TYR 106 N 1.07 0.45 0.42 4.73 -1.99 -1.35 0.23 116.97 120.53 1wyq h TYR 106 Ca 0.30 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 61.04 1wyq h TYR 106 Cb -0.09 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.53 1wyq h TYR 106 CO -0.02 0.17 -0.20 -0.92 -0.00 0.00 0.00 178.16 177.19 1wyq h TYR 107 N 0.47 -0.52 0.14 4.88 3.20 -1.36 -2.89 116.97 120.89 1wyq h TYR 107 Ca 0.27 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 1wyq h TYR 107 Cb 0.26 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1wyq h TYR 107 CO -0.13 -0.20 -0.23 0.45 -1.64 0.00 0.00 178.16 176.41 1wyq h HIS 108 N -0.96 -0.64 -0.35 -3.82 3.86 -1.05 0.25 115.15 112.44 1wyq h HIS 108 Ca -0.06 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1wyq h HIS 108 Cb 0.56 0.26 -0.04 0.00 1.06 0.00 0.00 27.41 29.25 1wyq h HIS 108 CO 0.02 -0.28 -0.21 0.98 0.86 0.00 0.00 177.93 179.30 1wyq n TYR 109 N -3.72 -0.15 -0.34 2.45 9.36 0.79 0.68 117.16 126.23 1wyq n TYR 109 Ca -0.05 0.44 0.10 0.00 3.32 0.00 0.00 57.90 61.71 1wyq n TYR 109 Cb 0.19 -0.49 0.30 0.00 -0.63 0.00 0.00 39.34 38.71 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 1.04 -0.40 2.98 0.04 -1.45 -2.51 116.94 116.65 1wyq h PHE 110 Ca 0.06 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.91 1wyq h PHE 110 Cb 0.14 -0.32 -0.08 0.00 2.20 0.00 0.00 35.95 37.88 1wyq h PHE 110 CO -0.87 0.36 -0.52 1.03 -0.60 0.00 0.00 178.31 177.70 1wyq h SER 111 N 0.85 -1.75 -0.95 2.17 0.87 0.38 -0.70 113.55 114.43 1wyq h SER 111 Ca 0.51 0.24 0.19 0.00 -1.23 0.00 0.00 61.79 61.49 1wyq h SER 111 Cb 0.66 0.72 -0.18 0.00 -0.44 0.00 0.00 62.40 63.17 1wyq h SER 111 CO -0.28 -0.40 -0.24 0.29 -0.53 0.00 0.00 176.83 175.67 1wyq n LYS 112 N -5.39 -0.09 -2.29 2.24 5.02 -0.86 -4.43 118.16 112.37 1wyq n LYS 112 Ca -0.03 1.49 -0.25 0.00 -2.02 0.00 0.00 58.31 57.49 1wyq n LYS 112 Cb 0.35 -2.22 0.06 0.00 -0.02 0.00 0.00 35.03 33.20 1wyq n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq s MET 113 N -6.19 2.37 -0.43 1.97 0.23 -0.27 -4.93 119.30 112.06 1wyq s MET 113 Ca -0.14 -0.27 -0.42 0.00 -1.03 0.00 0.00 55.69 53.83 1wyq s MET 113 Cb 0.25 -2.23 -0.17 0.00 -1.53 0.00 0.00 34.83 31.16 1wyq s MET 113 CO 0.74 -1.08 2.00 1.63 -2.03 0.00 0.00 175.02 176.28 1wyq n LYS 114 N -2.79 0.46 -3.64 3.16 4.76 -1.26 -4.90 118.16 113.95 1wyq n LYS 114 Ca 0.07 0.14 -0.13 0.00 -2.87 0.00 0.00 58.31 55.53 1wyq n LYS 114 Cb 0.60 -1.84 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wyq s ALA 115 N 5.45 -1.07 0.02 7.82 0.00 -1.26 -4.95 121.76 127.77 1wyq s ALA 115 Ca 1.11 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 1wyq s ALA 115 Cb -1.27 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 1wyq s ALA 115 CO 0.64 -0.49 0.45 -0.51 0.00 0.00 0.00 175.76 175.85 1wyq s LEU 116 N -2.11 4.49 0.03 0.00 2.01 -1.26 -5.03 118.68 116.81 1wyq s LEU 116 Ca -0.04 1.04 -0.27 0.00 0.01 0.00 0.00 54.13 54.87 1wyq s LEU 116 Cb -0.00 -2.67 0.09 0.00 0.01 0.00 0.00 46.19 43.62 1wyq s LEU 116 CO -0.04 0.31 0.80 0.00 1.01 0.00 0.00 176.35 178.43 1wyq s ALA 117 N -1.08 -1.76 -0.03 4.21 0.00 -1.26 -5.07 121.76 116.76 1wyq s ALA 117 Ca 0.25 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1wyq s ALA 117 Cb -0.17 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1wyq s ALA 117 CO 0.15 -0.65 -0.02 0.54 0.00 0.00 0.00 175.76 175.77 1wyq s VAL 118 N -2.99 0.32 0.25 0.00 0.11 -1.26 -5.14 120.40 111.70 1wyq s VAL 118 Ca 0.02 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.76 1wyq s VAL 118 Cb -0.01 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.37 1wyq s VAL 118 CO -0.08 0.17 0.99 -0.70 -3.33 0.00 0.00 175.10 172.15 1wyq s GLU 119 N 0.89 4.79 0.29 1.54 2.12 -1.26 -5.06 118.70 122.02 1wyq s GLU 119 Ca -0.10 1.58 0.05 0.00 0.36 0.00 0.00 54.97 56.86 1wyq s GLU 119 Cb -0.13 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 1wyq s GLU 119 CO -0.01 0.43 0.43 0.20 -0.54 0.00 0.00 175.26 175.77 1wyq s GLY 120 N -1.10 1.35 -0.30 -1.50 0.00 -1.26 -5.01 107.32 99.51 1wyq s GLY 120 Ca 0.42 -1.25 0.14 0.00 0.00 0.00 0.00 44.72 44.03 1wyq s GLY 120 CO 0.35 -1.22 1.13 1.17 0.00 0.00 0.00 173.10 174.52 1wyq n LYS 121 N -1.55 2.63 -3.50 2.90 4.81 -1.26 -2.08 118.16 120.10 1wyq n LYS 121 Ca -0.05 -3.86 -0.37 0.00 -0.87 0.00 0.00 58.31 53.15 1wyq n LYS 121 Cb 0.57 -1.92 -0.07 0.00 0.02 0.00 0.00 35.03 33.64 1wyq n LYS 121 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1wyq s SER 122 N -3.63 6.56 0.60 3.14 1.04 -1.26 -4.98 113.70 115.17 1wyq s SER 122 Ca 0.39 0.66 -0.18 0.00 0.48 0.00 0.00 55.95 57.30 1wyq s SER 122 Cb 0.38 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 1wyq s SER 122 CO -0.02 0.14 1.18 -0.83 0.98 0.00 0.00 173.24 174.70 1wyq s GLY 123 N 0.10 2.62 0.57 7.32 0.00 -1.26 -4.70 107.32 111.96 1wyq s GLY 123 Ca 0.20 0.91 -0.19 0.00 0.00 0.00 0.00 44.72 45.64 1wyq s GLY 123 CO 0.07 1.29 1.13 2.56 0.00 0.00 0.00 173.10 178.15 1wyq s PRO 124 N -3.45 3.25 0.11 2.90 0.04 -1.26 -5.06 135.00 131.53 1wyq s PRO 124 Ca 0.75 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 63.11 1wyq s PRO 124 Cb -0.28 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.34 1wyq s PRO 124 CO 0.34 -0.92 0.67 -1.54 0.04 0.00 0.00 177.00 175.58 1wyq s SER 125 N -1.93 -0.53 -0.05 6.66 1.04 -1.26 -5.17 113.70 112.46 1wyq s SER 125 Ca 0.72 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 1wyq s SER 125 Cb -0.23 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1wyq s SER 125 CO 0.30 -0.87 0.11 -0.44 0.98 0.00 0.00 173.24 173.32 1wyq s SER 126 N -2.60 -0.09 0.00 7.02 0.01 -1.26 -5.11 113.70 111.67 1wyq s SER 126 Ca 0.01 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1wyq s SER 126 Cb -0.01 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1wyq s SER 126 CO -0.11 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.06