#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyq n SER 2 N 0.00 1.24 -3.94 1.61 3.41 -1.26 -4.84 113.62 109.84 1wyq n SER 2 Ca 0.00 -1.18 -0.32 0.00 -0.26 0.00 0.00 58.87 57.11 1wyq n SER 2 Cb 0.00 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1wyq n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wyq n SER 3 N 0.01 3.78 -4.70 4.04 7.64 -1.26 -5.06 113.62 118.07 1wyq n SER 3 Ca 0.01 -3.22 -0.38 0.00 1.01 0.00 0.00 58.87 56.29 1wyq n SER 3 Cb 0.06 -0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 62.30 1wyq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wyq s GLY 4 N -1.05 2.29 -0.00 0.23 0.00 -1.26 -5.07 107.32 102.46 1wyq s GLY 4 Ca 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 1wyq s GLY 4 CO -0.12 0.85 0.03 -0.56 0.00 0.00 0.00 173.10 173.29 1wyq s SER 5 N 0.78 0.03 0.64 1.64 0.01 -1.26 -5.15 113.70 110.39 1wyq s SER 5 Ca 0.25 -0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.28 1wyq s SER 5 Cb -0.15 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 1wyq s SER 5 CO 0.10 -0.10 1.10 -0.55 0.41 0.00 0.00 173.24 174.20 1wyq s SER 6 N -0.41 5.28 0.00 2.44 0.15 -1.26 -4.70 113.70 115.19 1wyq s SER 6 Ca -0.05 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1wyq s SER 6 Cb -0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1wyq s SER 6 CO -0.00 -1.52 0.00 0.61 1.20 0.00 0.00 173.24 173.53 1wyq n GLY 7 N -0.56 2.44 0.16 9.45 0.00 -1.26 -4.74 105.19 110.68 1wyq n GLY 7 Ca 0.10 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq h ALA 8 N 0.00 0.14 -0.73 4.61 0.00 -2.00 -3.10 119.26 118.18 1wyq h ALA 8 Ca 0.00 -0.54 0.16 0.00 0.00 0.00 0.00 54.91 54.53 1wyq h ALA 8 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 1wyq h ALA 8 CO 0.00 0.38 0.11 -0.22 0.00 0.00 0.00 179.25 179.52 1wyq h LYS 9 N 0.03 0.19 -0.05 0.00 3.64 -1.99 -0.96 116.57 117.43 1wyq h LYS 9 Ca -0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1wyq h LYS 9 Cb 1.24 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1wyq h LYS 9 CO 0.12 0.13 0.02 -0.44 -2.27 0.00 0.00 179.45 177.00 1wyq h ASP 10 N 0.19 0.07 -0.97 4.20 3.32 -1.85 -2.89 116.42 118.50 1wyq h ASP 10 Ca 0.41 -0.17 0.29 0.00 0.02 0.00 0.00 57.03 57.58 1wyq h ASP 10 Cb 0.71 -0.02 -0.18 0.00 0.22 0.00 0.00 39.33 40.07 1wyq h ASP 10 CO -0.56 0.22 0.12 0.00 -1.72 0.00 0.00 179.24 177.30 1wyq h ALA 11 N 0.86 1.31 0.67 3.45 0.00 -1.10 -0.70 119.26 123.76 1wyq h ALA 11 Ca 0.02 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1wyq h ALA 11 Cb 0.17 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wyq h ALA 11 CO -0.00 -0.61 -0.32 1.25 0.00 0.00 0.00 179.25 179.57 1wyq h LEU 12 N 0.03 -0.76 -0.86 0.00 5.85 -1.32 -2.90 115.31 115.36 1wyq h LEU 12 Ca 0.62 0.03 0.33 0.00 0.84 0.00 0.00 57.88 59.70 1wyq h LEU 12 Cb 1.35 0.20 -0.16 0.00 0.37 0.00 0.00 40.66 42.42 1wyq h LEU 12 CO -0.86 -0.42 0.37 -0.11 -0.34 0.00 0.00 178.44 177.08 1wyq n LEU 13 N -5.12 0.22 -0.13 2.25 7.94 -0.35 0.20 117.00 122.01 1wyq n LEU 13 Ca -0.11 1.43 -0.10 0.00 -1.11 0.00 0.00 56.01 56.12 1wyq n LEU 13 Cb 0.35 -0.66 -0.02 0.00 0.53 0.00 0.00 43.42 43.63 1wyq n LEU 13 CO 0.27 -1.57 0.83 0.25 -1.11 0.00 0.00 177.39 176.06 1wyq h LEU 14 N 0.00 0.59 -0.01 -1.96 5.85 -1.27 -2.42 115.31 116.08 1wyq h LEU 14 Ca 0.68 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 59.18 1wyq h LEU 14 Cb 1.75 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 1wyq h LEU 14 CO -0.69 0.70 -0.42 -0.25 -0.34 0.00 0.00 178.44 177.45 1wyq h TRP 15 N 0.46 -1.18 -1.00 1.25 7.01 0.25 0.18 115.95 122.92 1wyq h TRP 15 Ca 0.11 0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.24 1wyq h TRP 15 Cb 0.36 0.52 -0.07 0.00 -2.10 0.00 0.00 29.16 27.87 1wyq h TRP 15 CO 0.02 -0.49 0.64 0.00 -2.79 0.00 0.00 178.44 175.82 1wyq h GLN 17 N 1.10 1.03 -0.03 0.00 4.20 -0.75 0.36 115.11 121.02 1wyq h GLN 17 Ca 0.46 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.09 1wyq h GLN 17 Cb 0.29 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1wyq h GLN 17 CO -0.21 0.70 0.00 0.52 -0.67 0.00 0.00 178.83 179.17 1wyq h MET 18 N 1.05 0.04 0.70 1.46 2.86 0.01 -0.35 114.93 120.71 1wyq h MET 18 Ca 0.28 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 1wyq h MET 18 Cb -0.09 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.57 1wyq h MET 18 CO -0.06 0.31 -0.34 0.87 1.06 0.00 0.00 176.91 178.76 1wyq h LYS 19 N -0.23 -0.91 0.00 1.72 1.79 -1.08 -2.75 116.57 115.10 1wyq h LYS 19 Ca 0.01 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1wyq h LYS 19 Cb 0.29 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1wyq h LYS 19 CO 0.00 -0.58 0.08 1.79 -1.08 0.00 0.00 179.45 179.67 1wyq h THR 20 N -1.16 0.00 -1.01 -0.16 1.35 -0.37 -2.22 112.91 109.34 1wyq h THR 20 Ca -0.10 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 66.02 1wyq h THR 20 Cb 0.75 0.81 -0.08 0.00 -1.73 0.00 0.00 68.15 67.89 1wyq h THR 20 CO 0.16 0.00 0.66 0.00 -0.25 0.00 0.00 175.52 176.09 1wyq h ALA 21 N 1.82 2.29 -0.84 6.62 0.00 -0.73 -0.06 119.26 128.35 1wyq h ALA 21 Ca 0.00 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1wyq h ALA 21 Cb 0.17 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1wyq h ALA 21 CO 0.00 -0.65 0.41 0.78 0.00 0.00 0.00 179.25 179.79 1wyq h GLY 22 N 0.37 1.36 -5.89 0.00 0.00 -1.55 -3.39 103.07 93.97 1wyq h GLY 22 Ca 0.55 -0.23 -0.60 0.00 0.00 0.00 0.00 47.33 47.06 1wyq h GLY 22 CO -0.24 -0.07 -0.35 -0.19 0.00 0.00 0.00 176.54 175.69 1wyq s TYR 23 N -5.97 3.48 -0.02 5.60 1.51 -0.04 -5.01 117.35 116.90 1wyq s TYR 23 Ca -0.12 0.57 -0.25 0.00 -1.01 0.00 0.00 57.07 56.26 1wyq s TYR 23 Cb 0.22 -2.29 -0.20 0.00 -0.11 0.00 0.00 41.96 39.59 1wyq s TYR 23 CO 0.78 0.30 1.22 -1.00 -1.11 0.00 0.00 175.55 175.74 1wyq h PRO 24 N 6.46 -0.06 -0.70 -1.71 0.13 -1.81 -3.26 132.00 131.05 1wyq h PRO 24 Ca -0.43 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.85 1wyq h PRO 24 Cb 1.17 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1wyq h PRO 24 CO 0.74 0.40 0.17 -2.95 -0.23 0.00 0.00 178.00 176.14 1wyq h ASN 25 N -0.55 0.03 -3.82 1.44 7.08 -1.94 -3.40 115.58 114.41 1wyq h ASN 25 Ca -0.01 0.13 -0.50 0.00 -3.08 0.00 0.00 56.30 52.84 1wyq h ASN 25 Cb 0.49 0.17 0.02 0.00 -2.08 0.00 0.00 38.32 36.92 1wyq h ASN 25 CO 0.01 -0.01 0.46 -0.69 -2.08 0.00 0.00 177.43 175.12 1wyq s VAL 26 N -6.06 3.55 -0.27 6.14 1.01 -1.23 -5.04 120.40 118.49 1wyq s VAL 26 Ca -0.13 1.51 -0.07 0.00 0.00 0.00 0.00 61.98 63.29 1wyq s VAL 26 Cb 0.20 -3.94 0.13 0.00 0.00 0.00 0.00 36.38 32.77 1wyq s VAL 26 CO 0.75 0.32 0.56 0.21 0.00 0.00 0.00 175.10 176.94 1wyq s ASN 27 N -0.99 -0.85 -0.96 3.32 3.84 -1.26 -4.81 114.94 113.23 1wyq s ASN 27 Ca 0.46 1.18 -0.12 0.00 0.21 0.00 0.00 52.86 54.58 1wyq s ASN 27 Cb -0.30 1.94 0.24 0.00 -0.55 0.00 0.00 41.25 42.57 1wyq s ASN 27 CO 0.39 -0.24 0.95 -0.69 -2.79 0.00 0.00 177.10 174.72 1wyq s VAL 28 N 2.79 5.70 -0.05 -5.21 1.01 -1.26 -4.76 120.40 118.62 1wyq s VAL 28 Ca 0.02 -2.81 0.22 0.00 0.00 0.00 0.00 61.98 59.41 1wyq s VAL 28 Cb -0.13 -4.56 -0.31 0.00 0.00 0.00 0.00 36.38 31.38 1wyq s VAL 28 CO -0.18 -1.14 0.51 1.41 0.00 0.00 0.00 175.10 175.71 1wyq n HIS 29 N 3.66 0.08 -4.00 5.22 8.25 -1.26 -4.61 115.22 122.56 1wyq n HIS 29 Ca 0.19 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.56 1wyq n HIS 29 Cb 0.44 -0.55 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.31 -0.78 -0.53 0.41 2.04 -1.26 -5.06 115.26 107.77 1wyq n ASN 30 Ca -0.05 -2.36 0.06 0.00 -0.44 0.00 0.00 54.58 51.80 1wyq n ASN 30 Cb 0.59 1.53 0.19 0.00 -2.53 0.00 0.00 39.78 39.56 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 -0.41 0.30 0.02 -2.53 3.72 -1.26 -4.48 117.46 112.82 1wyq n PHE 31 Ca 0.02 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 56.18 1wyq n PHE 31 Cb 0.40 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.16 0.07 0.09 4.37 -2.24 -1.26 -3.88 114.28 110.26 1wyq n THR 32 Ca 0.20 0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.93 1wyq n THR 32 Cb 0.75 -0.48 0.09 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.65 1.81 -0.00 4.28 -2.24 -1.26 -3.54 114.28 110.68 1wyq n THR 33 Ca 0.00 -0.77 0.01 0.00 -2.27 0.00 0.00 64.05 61.02 1wyq n THR 33 Cb 0.00 -0.72 -0.02 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 -0.12 4.40 -0.06 3.42 2.88 -1.26 -4.66 113.62 118.22 1wyq n SER 34 Ca 0.23 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.78 1wyq n SER 34 Cb 0.94 1.03 0.01 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 -1.67 0.03 -0.07 0.66 7.02 -1.24 -4.39 117.44 117.79 1wyq n TRP 35 Ca -0.01 -0.39 -0.11 0.00 -1.02 0.00 0.00 57.50 55.97 1wyq n TRP 35 Cb 0.15 -0.04 -0.04 0.00 -2.42 0.00 0.00 31.31 28.96 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 0.19 0.36 0.62 -0.99 2.43 -1.82 -3.29 114.38 111.89 1wyq h ARG 36 Ca 0.00 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1wyq h ARG 36 Cb 0.42 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1wyq h ARG 36 CO 0.00 0.44 -0.30 0.38 -1.51 0.00 0.00 179.97 178.98 1wyq h ASP 37 N 0.22 -0.71 0.00 -3.80 2.03 -1.91 -3.39 116.42 108.86 1wyq h ASP 37 Ca 0.08 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1wyq h ASP 37 Cb 0.22 0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 1wyq h ASP 37 CO -0.00 -0.38 0.00 0.61 -1.03 0.00 0.00 179.24 178.43 1wyq n GLY 38 N -0.60 4.77 0.29 7.15 0.00 -1.24 -4.30 105.19 111.26 1wyq n GLY 38 Ca -0.10 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.24 -0.37 0.99 4.77 -1.26 -0.13 117.00 120.76 1wyq n LEU 39 Ca 0.00 1.38 -0.08 0.00 -0.03 0.00 0.00 56.01 57.29 1wyq n LEU 39 Cb 0.00 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1wyq n LEU 39 CO 0.00 -1.35 0.46 0.00 -1.33 0.00 0.00 177.39 175.17 1wyq n ALA 40 N -3.58 -0.46 0.02 -1.18 0.00 -1.26 0.15 120.51 114.21 1wyq n ALA 40 Ca 0.15 0.80 -0.02 0.00 0.00 0.00 0.00 53.44 54.37 1wyq n ALA 40 Cb 0.46 -0.20 0.24 0.00 0.00 0.00 0.00 19.45 19.95 1wyq n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wyq h PHE 41 N 0.00 0.50 0.00 0.00 0.04 -0.87 -1.80 116.94 114.81 1wyq h PHE 41 Ca 0.19 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1wyq h PHE 41 Cb 0.41 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1wyq h PHE 41 CO -0.90 0.63 0.00 0.09 -0.60 0.00 0.00 178.31 177.54 1wyq n ASN 42 N -4.16 0.00 -0.09 2.17 3.02 0.27 -3.14 115.26 113.33 1wyq n ASN 42 Ca -0.00 -0.55 -0.11 0.00 -0.03 0.00 0.00 54.58 53.89 1wyq n ASN 42 Cb 0.37 -0.13 -0.15 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 -1.13 1.49 0.08 5.41 0.00 0.41 -4.01 120.51 122.75 1wyq n ALA 43 Ca 0.18 -1.24 -0.11 0.00 0.00 0.00 0.00 53.44 52.27 1wyq n ALA 43 Cb 0.16 -0.26 -0.08 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 0.80 0.30 0.00 2.04 -1.43 -3.19 117.51 116.03 1wyq h ILE 44 Ca -0.52 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 1wyq h ILE 44 Cb 2.19 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.57 1wyq h ILE 44 CO 0.03 0.19 -0.32 0.58 0.00 0.00 0.00 178.15 178.63 1wyq h VAL 45 N -0.84 0.00 -0.84 1.67 2.07 -1.79 -2.18 116.25 114.35 1wyq h VAL 45 Ca -0.03 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.83 1wyq h VAL 45 Cb 0.52 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.14 1wyq h VAL 45 CO 0.04 0.00 0.39 1.57 0.02 0.00 0.00 177.57 179.59 1wyq n HIS 46 N -4.29 0.91 -0.22 1.57 -0.00 -1.26 0.23 115.22 112.16 1wyq n HIS 46 Ca -0.07 0.99 -0.06 0.00 -0.00 0.00 0.00 57.72 58.57 1wyq n HIS 46 Cb 0.29 -1.36 0.04 0.00 -0.00 0.00 0.00 29.99 28.95 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 0.85 0.00 1.57 1.63 -1.38 -2.26 116.57 116.98 1wyq h LYS 47 Ca 0.68 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.39 1wyq h LYS 47 Cb 1.75 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 33.21 1wyq h LYS 47 CO -0.66 0.62 -0.04 0.45 -3.45 0.00 0.00 179.45 176.36 1wyq h HIS 48 N 0.84 0.00 -3.34 1.91 3.86 0.32 -3.42 115.15 115.32 1wyq h HIS 48 Ca 0.22 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.79 1wyq h HIS 48 Cb -0.00 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.06 1wyq h HIS 48 CO -0.02 0.53 -0.64 1.03 0.86 0.00 0.00 177.93 179.69 1wyq s ARG 49 N -1.91 1.89 0.00 2.45 1.81 0.15 -4.93 118.95 118.41 1wyq s ARG 49 Ca -0.10 -2.55 0.12 0.00 -1.72 0.00 0.00 55.73 51.48 1wyq s ARG 49 Cb -0.01 -3.21 0.69 0.00 -0.45 0.00 0.00 34.95 31.97 1wyq s ARG 49 CO 0.36 -1.11 1.13 -0.35 -0.68 0.00 0.00 175.30 174.64 1wyq n PRO 50 N 3.17 0.49 -0.09 3.54 -0.04 -0.85 -2.94 135.00 138.27 1wyq n PRO 50 Ca 0.05 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 1wyq n PRO 50 Cb 0.32 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.87 1.90 -0.34 3.54 8.00 -1.26 -4.45 116.55 123.06 1wyq n ASP 51 Ca 0.09 0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.87 1wyq n ASP 51 Cb 0.04 -0.94 -0.09 0.00 -0.02 0.00 0.00 41.12 40.11 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 -0.86 -1.85 -8.96 0.64 3.38 -1.94 -3.42 115.31 102.29 1wyq h LEU 52 Ca -0.39 0.28 -0.41 0.00 0.09 0.00 0.00 57.88 57.45 1wyq h LEU 52 Cb 1.42 0.82 -0.14 0.00 0.09 0.00 0.00 40.66 42.85 1wyq h LEU 52 CO -0.19 -0.21 -0.66 -1.48 0.09 0.00 0.00 178.44 175.99 1wyq s LEU 53 N -9.88 2.23 -0.17 1.67 2.34 -1.26 -5.07 118.68 108.55 1wyq s LEU 53 Ca -0.11 -1.23 -0.04 0.00 0.06 0.00 0.00 54.13 52.81 1wyq s LEU 53 Cb 0.09 -0.34 -0.23 0.00 -0.56 0.00 0.00 46.19 45.15 1wyq s LEU 53 CO 0.54 -0.49 0.16 0.47 -1.06 0.00 0.00 176.35 175.96 1wyq n ASP 54 N -0.47 2.07 -2.76 1.48 9.92 -1.26 -4.73 116.55 120.80 1wyq n ASP 54 Ca -0.05 0.10 -0.19 0.00 -0.53 0.00 0.00 54.79 54.12 1wyq n ASP 54 Cb 0.64 -0.72 0.05 0.00 -0.64 0.00 0.00 41.12 40.45 1wyq n ASP 54 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1wyq n PHE 55 N -3.43 -2.01 -0.00 1.24 7.35 -1.26 -4.90 117.46 114.43 1wyq n PHE 55 Ca -0.37 0.65 -0.01 0.00 -0.76 0.00 0.00 57.45 56.97 1wyq n PHE 55 Cb 1.02 -4.06 -0.00 0.00 0.35 0.00 0.00 39.48 36.79 1wyq n PHE 55 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1wyq n GLU 56 N -3.81 0.02 0.02 -4.13 1.02 -1.26 -4.76 120.64 107.74 1wyq n GLU 56 Ca -0.03 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 1wyq n GLU 56 Cb 0.57 -0.77 -0.02 0.00 -0.02 0.00 0.00 31.44 31.20 1wyq n GLU 56 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1wyq h SER 57 N -0.02 0.70 -1.15 1.62 0.02 -2.04 -3.45 113.55 109.23 1wyq h SER 57 Ca -0.02 -0.46 -0.79 0.00 -0.84 0.00 0.00 61.79 59.68 1wyq h SER 57 Cb 1.03 -0.21 0.04 0.00 0.14 0.00 0.00 62.40 63.40 1wyq h SER 57 CO -0.01 1.23 0.32 0.18 -1.14 0.00 0.00 176.83 177.41 1wyq n LEU 58 N -3.88 0.69 -4.23 5.07 4.77 -1.26 -4.95 117.00 113.21 1wyq n LEU 58 Ca -0.06 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.77 1wyq n LEU 58 Cb 0.73 -0.97 -0.17 0.00 -2.33 0.00 0.00 43.42 40.68 1wyq n LEU 58 CO 0.50 -1.44 -0.55 -1.59 -1.33 0.00 0.00 177.39 172.98 1wyq s LYS 59 N 0.95 2.54 0.30 3.23 0.00 -1.26 -5.00 119.74 120.50 1wyq s LYS 59 Ca 0.93 -0.84 0.19 0.00 0.00 0.00 0.00 55.97 56.26 1wyq s LYS 59 Cb -1.25 -2.08 1.05 0.00 0.00 0.00 0.00 37.83 35.54 1wyq s LYS 59 CO 0.61 0.29 1.16 1.63 0.00 0.00 0.00 175.35 179.04 1wyq n LYS 60 N 3.16 -0.04 -0.08 1.78 5.02 -1.26 0.74 118.16 127.49 1wyq n LYS 60 Ca -0.18 0.98 -0.10 0.00 -2.02 0.00 0.00 58.31 56.99 1wyq n LYS 60 Cb 0.52 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq s ASN 62 N -5.01 6.59 -0.08 0.00 -0.87 0.23 -4.85 114.94 110.95 1wyq s ASN 62 Ca -0.15 1.15 -0.07 0.00 -1.57 0.00 0.00 52.86 52.22 1wyq s ASN 62 Cb 0.12 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 1wyq s ASN 62 CO 0.66 -1.16 -0.16 0.00 -2.57 0.00 0.00 177.10 173.87 1wyq n ALA 63 N 7.90 2.10 -0.01 0.60 0.00 -1.26 -4.27 120.51 125.57 1wyq n ALA 63 Ca 0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1wyq n ALA 63 Cb 0.47 0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1wyq n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyq h HIS 64 N -0.46 -0.29 -0.73 0.00 -0.00 -1.83 0.20 115.15 112.04 1wyq h HIS 64 Ca -0.16 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1wyq h HIS 64 Cb 0.87 0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 28.40 1wyq h HIS 64 CO -0.12 -0.18 0.48 -0.92 -0.00 0.00 0.00 177.93 177.20 1wyq h TYR 65 N -0.13 0.91 -0.66 5.26 5.03 -1.93 -1.09 116.97 124.37 1wyq h TYR 65 Ca 0.10 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.38 1wyq h TYR 65 Cb 0.27 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 1wyq h TYR 65 CO -0.25 0.57 0.23 -0.91 -1.32 0.00 0.00 178.16 176.48 1wyq h ASN 66 N 0.98 0.93 0.29 -2.11 4.21 -1.59 -1.20 115.58 117.09 1wyq h ASN 66 Ca 0.27 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1wyq h ASN 66 Cb -0.10 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 36.86 1wyq h ASN 66 CO -0.07 0.87 -0.14 -0.07 -1.29 0.00 0.00 177.43 176.74 1wyq h LEU 67 N 0.94 -0.33 -0.79 1.61 3.38 -0.16 -2.46 115.31 117.51 1wyq h LEU 67 Ca 0.22 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.38 1wyq h LEU 67 Cb 0.25 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 1wyq h LEU 67 CO -0.01 -0.20 0.14 0.06 0.09 0.00 0.00 178.44 178.52 1wyq h GLN 68 N -0.46 0.19 -0.12 1.13 3.07 -1.28 0.48 115.11 118.13 1wyq h GLN 68 Ca -0.04 -0.01 0.04 0.00 0.09 0.00 0.00 58.65 58.73 1wyq h GLN 68 Cb 0.30 -0.04 -0.06 0.00 0.08 0.00 0.00 27.48 27.75 1wyq h GLN 68 CO 0.07 0.13 -0.36 -0.97 0.09 0.00 0.00 178.83 177.78 1wyq h ASN 69 N 0.20 -1.12 -0.09 0.06 -1.24 -1.22 0.21 115.58 112.38 1wyq h ASN 69 Ca 0.46 0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.62 1wyq h ASN 69 Cb 0.84 0.46 -0.00 0.00 0.73 0.00 0.00 38.32 40.35 1wyq h ASN 69 CO -0.61 -0.39 0.05 0.00 -1.29 0.00 0.00 177.43 175.19 1wyq h ALA 70 N 0.28 0.11 -0.65 1.57 0.00 -0.69 -1.69 119.26 118.19 1wyq h ALA 70 Ca 0.09 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1wyq h ALA 70 Cb 0.58 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1wyq h ALA 70 CO -0.36 -0.37 0.22 0.74 0.00 0.00 0.00 179.25 179.47 1wyq h PHE 71 N 0.07 0.37 -0.35 0.00 0.04 -0.49 0.22 116.94 116.80 1wyq h PHE 71 Ca 0.03 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1wyq h PHE 71 Cb 0.04 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1wyq h PHE 71 CO -0.05 0.05 0.16 -0.91 -0.60 0.00 0.00 178.31 176.95 1wyq h ASN 72 N 0.37 0.47 -0.46 2.17 2.35 -0.35 0.14 115.58 120.26 1wyq h ASN 72 Ca 0.34 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1wyq h ASN 72 Cb 0.47 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1wyq h ASN 72 CO -0.36 0.48 0.24 -0.07 -1.65 0.00 0.00 177.43 176.07 1wyq h LEU 73 N 0.42 0.59 -1.21 1.61 3.38 -0.35 0.64 115.31 120.40 1wyq h LEU 73 Ca 0.12 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1wyq h LEU 73 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1wyq h LEU 73 CO -0.01 0.53 -0.26 0.00 0.09 0.00 0.00 178.44 178.79 1wyq h ALA 74 N 1.08 1.08 0.00 1.53 0.00 -0.45 0.79 119.26 123.29 1wyq h ALA 74 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wyq h ALA 74 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wyq h ALA 74 CO -0.02 0.33 -0.94 -1.91 0.00 0.00 0.00 179.25 176.71 1wyq n GLU 75 N -3.51 0.38 -0.03 0.00 2.13 0.46 -0.05 120.64 120.01 1wyq n GLU 75 Ca -0.00 0.04 -0.04 0.00 0.66 0.00 0.00 57.16 57.82 1wyq n GLU 75 Cb 0.42 -1.67 -0.01 0.00 0.27 0.00 0.00 31.44 30.44 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 -2.19 0.24 0.31 5.31 3.00 0.22 -4.02 118.16 121.03 1wyq n LYS 76 Ca 0.02 0.09 -0.12 0.00 -0.00 0.00 0.00 58.31 58.30 1wyq n LYS 76 Cb 0.47 -0.86 -0.06 0.00 0.00 0.00 0.00 35.03 34.58 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 -0.45 -0.75 -0.26 1.64 4.39 0.43 -3.29 114.58 116.29 1wyq h GLU 77 Ca 0.00 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1wyq h GLU 77 Cb 0.45 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1wyq h GLU 77 CO 0.00 -0.50 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.21 1wyq h LEU 78 N -0.84 0.51 -0.43 1.33 3.38 -1.57 -3.48 115.31 114.20 1wyq h LEU 78 Ca -0.08 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1wyq h LEU 78 Cb 0.60 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wyq h LEU 78 CO 0.13 0.76 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1wyq n GLY 79 N -0.14 0.85 3.85 0.83 0.00 -0.19 -4.99 105.19 105.40 1wyq n GLY 79 Ca -0.04 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.43 4.18 -0.18 0.99 1.43 0.93 -4.95 118.68 120.65 1wyq s LEU 80 Ca 0.00 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 1wyq s LEU 80 Cb 0.00 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1wyq s LEU 80 CO 0.00 0.31 1.36 -0.89 0.23 0.00 0.00 176.35 177.36 1wyq s THR 81 N -1.19 4.10 -0.50 5.49 2.01 -1.26 -4.04 115.64 120.24 1wyq s THR 81 Ca 0.22 1.30 -0.26 0.00 0.31 0.00 0.00 61.69 63.26 1wyq s THR 81 Cb -0.12 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 1wyq s THR 81 CO 0.13 -0.20 2.34 -0.54 -0.69 0.00 0.00 174.62 175.66 1wyq s LYS 82 N 3.82 2.16 0.09 4.92 1.02 -1.26 -4.78 119.74 125.72 1wyq s LYS 82 Ca 0.59 1.32 0.07 0.00 0.02 0.00 0.00 55.97 57.97 1wyq s LYS 82 Cb -0.23 -4.56 -0.22 0.00 -0.52 0.00 0.00 37.83 32.30 1wyq s LYS 82 CO 0.20 -3.21 1.18 -0.07 -0.92 0.00 0.00 175.35 172.53 1wyq h LEU 83 N 19.23 0.04 0.00 3.17 3.38 -1.98 -3.47 115.31 135.68 1wyq h LEU 83 Ca -0.24 -0.05 -0.48 0.00 0.09 0.00 0.00 57.88 57.20 1wyq h LEU 83 Cb 1.26 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 1wyq h LEU 83 CO 1.17 1.04 -0.34 0.18 0.09 0.00 0.00 178.44 180.58 1wyq n LEU 84 N -3.33 0.00 -4.21 1.67 4.77 -1.26 -5.14 117.00 109.50 1wyq n LEU 84 Ca -0.03 -2.31 -0.14 0.00 -0.03 0.00 0.00 56.01 53.50 1wyq n LEU 84 Cb 0.96 0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 42.18 1wyq n LEU 84 CO 0.47 -0.35 -0.41 -1.81 -1.33 0.00 0.00 177.39 173.96 1wyq s ASP 85 N -3.08 1.61 0.00 -1.43 1.01 -1.26 -5.02 116.67 108.50 1wyq s ASP 85 Ca 0.02 -0.91 0.15 0.00 0.71 0.00 0.00 52.55 52.52 1wyq s ASP 85 Cb -0.00 0.00 0.89 0.00 1.01 0.00 0.00 42.92 44.82 1wyq s ASP 85 CO 0.02 -0.30 1.31 -0.81 0.21 0.00 0.00 175.17 175.60 1wyq n PRO 86 N 0.19 0.48 -0.06 8.23 -0.04 -1.26 -2.40 135.00 140.15 1wyq n PRO 86 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 1wyq n PRO 86 Cb 0.59 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 1wyq n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wyq n GLU 87 N -0.98 0.27 -0.09 0.54 1.02 -1.26 -4.21 120.64 115.92 1wyq n GLU 87 Ca 0.11 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.23 1wyq n GLU 87 Cb 0.05 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.15 0.42 0.02 1.62 5.19 -1.95 -3.19 116.42 118.38 1wyq h ASP 88 Ca -0.27 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1wyq h ASP 88 Cb 1.34 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1wyq h ASP 88 CO -0.09 0.51 -0.01 0.58 -3.12 0.00 0.00 179.24 177.12 1wyq h VAL 89 N 0.30 1.17 -0.34 -1.35 2.07 -1.75 -3.38 116.25 112.96 1wyq h VAL 89 Ca 0.09 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1wyq h VAL 89 Cb 0.25 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1wyq h VAL 89 CO -0.00 0.15 0.17 0.21 0.02 0.00 0.00 177.57 178.11 1wyq s ASN 90 N -5.42 3.97 0.19 0.57 3.84 -1.21 -4.53 114.94 112.35 1wyq s ASN 90 Ca -0.15 -0.39 -0.15 0.00 0.21 0.00 0.00 52.86 52.38 1wyq s ASN 90 Cb 0.04 -2.57 0.02 0.00 -0.55 0.00 0.00 41.25 38.19 1wyq s ASN 90 CO 0.66 -3.94 0.47 0.54 -2.79 0.00 0.00 177.10 172.04 1wyq s VAL 91 N 14.64 0.03 0.14 -5.21 0.11 -1.26 -4.88 120.40 123.97 1wyq s VAL 91 Ca 0.86 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 58.69 1wyq s VAL 91 Cb -0.10 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 1wyq s VAL 91 CO 0.10 -0.15 1.61 0.44 -3.33 0.00 0.00 175.10 173.77 1wyq h ASP 92 N 2.27 -0.98 -2.73 3.54 5.19 -1.96 -3.35 116.42 118.41 1wyq h ASP 92 Ca -0.29 0.15 -0.60 0.00 -0.62 0.00 0.00 57.03 55.67 1wyq h ASP 92 Cb 1.25 0.42 -0.39 0.00 0.18 0.00 0.00 39.33 40.79 1wyq h ASP 92 CO 0.39 -0.35 -0.84 -1.10 -3.12 0.00 0.00 179.24 174.22 1wyq s GLN 93 N -6.01 1.15 0.57 3.56 -1.52 -1.26 -4.77 119.66 111.39 1wyq s GLN 93 Ca -0.15 -2.14 -0.18 0.00 -1.95 0.00 0.00 55.36 50.94 1wyq s GLN 93 Cb 0.11 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.97 1wyq s GLN 93 CO 0.66 -1.30 1.13 -1.25 -0.25 0.00 0.00 175.29 174.28 1wyq s PRO 94 N 0.07 3.22 -0.71 2.91 0.04 -1.26 -4.90 135.00 134.37 1wyq s PRO 94 Ca 0.26 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 1wyq s PRO 94 Cb -0.08 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1wyq s PRO 94 CO -0.12 -0.95 2.18 0.16 0.04 0.00 0.00 177.00 178.31 1wyq s ASP 95 N -1.97 4.62 0.58 6.66 1.47 -1.26 -4.72 116.67 122.05 1wyq s ASP 95 Ca 0.71 0.17 0.28 0.00 1.18 0.00 0.00 52.55 54.90 1wyq s ASP 95 Cb -0.23 -2.54 1.50 0.00 -0.34 0.00 0.00 42.92 41.32 1wyq s ASP 95 CO 0.30 -3.04 1.95 1.05 0.68 0.00 0.00 175.17 176.11 1wyq h GLU 96 N 14.47 0.00 0.00 2.11 4.11 -1.91 0.37 114.58 133.73 1wyq h GLU 96 Ca -0.09 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.24 1wyq h GLU 96 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1wyq h GLU 96 CO 1.14 0.00 -0.49 0.87 0.07 0.00 0.00 179.01 180.60 1wyq h LYS 97 N 0.00 0.00 -0.00 1.06 1.79 -1.86 -0.31 116.57 117.25 1wyq h LYS 97 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1wyq h LYS 97 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1wyq h LYS 97 CO -0.00 0.49 -0.25 0.43 -1.08 0.00 0.00 179.45 179.04 1wyq n SER 98 N -3.90 0.31 -0.13 0.86 7.64 0.13 -3.89 113.62 114.64 1wyq n SER 98 Ca -0.01 -0.01 -0.25 0.00 1.01 0.00 0.00 58.87 59.61 1wyq n SER 98 Cb 0.52 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.42 1.52 -0.38 0.44 5.41 -0.97 -4.03 119.36 119.94 1wyq n ILE 99 Ca 0.07 -0.27 0.30 0.00 1.00 0.00 0.00 62.75 63.85 1wyq n ILE 99 Cb 0.33 -1.98 0.58 0.00 -0.71 0.00 0.00 39.64 37.86 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 0.33 -0.22 1.39 2.04 -1.22 0.48 117.51 119.31 1wyq h ILE 100 Ca -0.55 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.07 1wyq h ILE 100 Cb 1.48 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1wyq h ILE 100 CO -0.34 0.04 -0.46 0.74 0.00 0.00 0.00 178.15 178.14 1wyq h THR 101 N 0.24 1.31 0.56 -0.27 2.02 -1.78 -2.54 112.91 112.45 1wyq h THR 101 Ca 0.70 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 1wyq h THR 101 Cb 2.02 1.81 0.01 0.00 -1.74 0.00 0.00 68.15 70.25 1wyq h THR 101 CO -0.36 0.53 -0.27 0.22 0.37 0.00 0.00 175.52 176.01 1wyq h TYR 102 N 0.41 -0.70 -0.80 3.16 5.03 -0.30 -3.05 116.97 120.72 1wyq h TYR 102 Ca 0.01 -0.02 0.21 0.00 2.58 0.00 0.00 58.73 61.51 1wyq h TYR 102 Cb 1.06 0.23 -0.04 0.00 1.55 0.00 0.00 36.73 39.53 1wyq h TYR 102 CO 0.09 -0.38 0.56 -0.24 -1.32 0.00 0.00 178.16 176.87 1wyq h VAL 103 N -1.07 0.65 -0.56 1.81 3.04 -1.01 0.14 116.25 119.24 1wyq h VAL 103 Ca -0.08 -0.05 0.16 0.00 -1.01 0.00 0.00 66.70 65.73 1wyq h VAL 103 Cb 0.64 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 1wyq h VAL 103 CO 0.13 0.03 0.43 0.00 -1.01 0.00 0.00 177.57 177.14 1wyq h ALA 104 N 1.62 2.48 -0.46 3.17 0.00 -1.33 -0.17 119.26 124.56 1wyq h ALA 104 Ca 0.39 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1wyq h ALA 104 Cb 1.33 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1wyq h ALA 104 CO -0.06 -0.72 -0.13 1.79 0.00 0.00 0.00 179.25 180.13 1wyq h THR 105 N 0.00 1.27 -0.78 0.00 1.35 -0.80 -1.18 112.91 112.78 1wyq h THR 105 Ca 0.27 -1.26 0.05 0.00 -0.55 0.00 0.00 66.41 64.92 1wyq h THR 105 Cb 1.12 1.13 -0.05 0.00 -1.73 0.00 0.00 68.15 68.63 1wyq h THR 105 CO -0.00 0.43 0.51 1.88 -0.25 0.00 0.00 175.52 178.09 1wyq h TYR 106 N 0.73 0.87 0.12 4.73 -1.99 -1.14 0.63 116.97 120.93 1wyq h TYR 106 Ca 0.11 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 1wyq h TYR 106 Cb 0.68 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.12 1wyq h TYR 106 CO 0.05 0.48 -0.06 -0.92 -0.00 0.00 0.00 178.16 177.71 1wyq h TYR 107 N 0.88 -0.15 -0.02 4.88 3.20 -1.43 -3.24 116.97 121.09 1wyq h TYR 107 Ca 0.33 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.21 1wyq h TYR 107 Cb 0.17 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 1wyq h TYR 107 CO -0.00 -0.10 -0.40 0.45 -1.64 0.00 0.00 178.16 176.47 1wyq h HIS 108 N -0.87 -1.19 0.00 -3.82 3.86 -1.18 0.18 115.15 112.12 1wyq h HIS 108 Ca -0.02 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1wyq h HIS 108 Cb 0.13 0.52 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1wyq h HIS 108 CO 0.01 -0.43 0.00 0.98 0.86 0.00 0.00 177.93 179.35 1wyq n TYR 109 N -4.71 0.00 -0.34 2.45 9.36 0.21 0.13 117.16 124.26 1wyq n TYR 109 Ca -0.05 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.31 1wyq n TYR 109 Cb 0.29 -0.35 0.34 0.00 -0.63 0.00 0.00 39.34 38.99 1wyq n TYR 109 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1wyq h PHE 110 N 0.00 1.00 -0.14 2.98 0.04 -1.56 -0.88 116.94 118.39 1wyq h PHE 110 Ca 0.00 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.84 1wyq h PHE 110 Cb 0.00 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 37.82 1wyq h PHE 110 CO -0.65 0.15 -0.11 1.03 -0.60 0.00 0.00 178.31 178.13 1wyq h SER 111 N 0.66 -0.34 -0.60 2.17 0.87 0.28 -2.75 113.55 113.84 1wyq h SER 111 Ca 0.60 0.07 0.09 0.00 -1.23 0.00 0.00 61.79 61.32 1wyq h SER 111 Cb 1.02 0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 63.04 1wyq h SER 111 CO -0.43 -0.14 -0.43 0.11 -0.53 0.00 0.00 176.83 175.41 1wyq h LYS 112 N -0.12 -0.21 -6.33 2.24 1.57 0.97 -3.42 116.57 111.28 1wyq h LYS 112 Ca 0.09 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.31 1wyq h LYS 112 Cb 0.25 0.05 0.20 0.00 0.08 0.00 0.00 32.23 32.80 1wyq h LYS 112 CO -0.21 -0.14 -0.93 -1.33 -0.57 0.00 0.00 179.45 176.27 1wyq n MET 113 N -5.41 0.13 -3.44 3.15 2.81 -1.04 -2.99 117.12 110.33 1wyq n MET 113 Ca 0.02 0.07 -0.19 0.00 -1.81 0.00 0.00 57.70 55.79 1wyq n MET 113 Cb 0.35 -1.41 0.08 0.00 -0.71 0.00 0.00 33.22 31.53 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 0.58 -6.85 -3.64 0.03 5.02 -1.26 -5.00 118.16 107.03 1wyq n LYS 114 Ca 0.07 0.82 -0.02 0.00 -2.02 0.00 0.00 58.31 57.15 1wyq n LYS 114 Cb 0.50 -5.77 -0.07 0.00 -0.02 0.00 0.00 35.03 29.68 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wyq s ALA 115 N -3.34 -2.28 0.12 7.82 0.00 -1.16 -5.14 121.76 117.79 1wyq s ALA 115 Ca 0.18 2.17 -0.31 0.00 0.00 0.00 0.00 51.96 54.00 1wyq s ALA 115 Cb -0.08 -1.71 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 1wyq s ALA 115 CO 0.71 -0.34 1.68 -0.51 0.00 0.00 0.00 175.76 177.30 1wyq s LEU 116 N 1.25 4.38 -0.17 0.00 2.01 -1.26 -4.99 118.68 119.89 1wyq s LEU 116 Ca -0.08 2.63 -0.21 0.00 0.01 0.00 0.00 54.13 56.48 1wyq s LEU 116 Cb -0.04 -3.58 0.05 0.00 0.01 0.00 0.00 46.19 42.64 1wyq s LEU 116 CO -0.14 -0.91 0.56 0.00 1.01 0.00 0.00 176.35 176.87 1wyq s ALA 117 N 2.08 -1.39 0.07 4.21 0.00 -1.26 -5.13 121.76 120.34 1wyq s ALA 117 Ca 0.75 1.45 -0.37 0.00 0.00 0.00 0.00 51.96 53.78 1wyq s ALA 117 Cb -0.43 -0.73 -0.18 0.00 0.00 0.00 0.00 23.12 21.78 1wyq s ALA 117 CO 0.33 -0.28 1.21 0.28 0.00 0.00 0.00 175.76 177.30 1wyq n VAL 118 N 2.42 0.14 -3.95 0.00 0.31 -1.26 -4.96 118.33 111.02 1wyq n VAL 118 Ca -0.15 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 1wyq n VAL 118 Cb 0.56 -0.54 -0.17 0.00 -0.91 0.00 0.00 33.84 32.78 1wyq n VAL 118 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1wyq s GLU 119 N 0.20 0.75 0.00 5.55 2.56 -1.26 -5.07 118.70 121.43 1wyq s GLU 119 Ca 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.81 1wyq s GLU 119 Cb -1.04 -0.93 0.00 0.00 2.00 0.00 0.00 34.13 34.15 1wyq s GLU 119 CO 0.51 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.42 1wyq n GLY 120 N 4.62 -0.61 1.00 -1.50 0.00 -1.26 -5.09 105.19 102.36 1wyq n GLY 120 Ca -0.16 0.76 -0.00 0.00 0.00 0.00 0.00 46.02 46.62 1wyq n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wyq n LYS 121 N 0.00 0.00 -1.74 1.61 5.02 -1.26 -5.06 118.16 116.73 1wyq n LYS 121 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1wyq n LYS 121 Cb 0.00 -0.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.56 1wyq n LYS 121 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wyq s SER 122 N -5.10 4.96 0.00 4.39 0.15 -1.26 -4.70 113.70 112.14 1wyq s SER 122 Ca -0.00 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1wyq s SER 122 Cb 0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wyq s SER 122 CO 0.00 -1.77 0.00 0.61 1.20 0.00 0.00 173.24 173.28 1wyq n GLY 123 N 0.81 0.47 3.58 9.45 0.00 -1.26 -5.02 105.19 113.22 1wyq n GLY 123 Ca 0.13 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1wyq n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyq s PRO 124 N -0.51 3.08 0.96 1.61 0.04 -1.26 -4.98 135.00 133.94 1wyq s PRO 124 Ca 0.00 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1wyq s PRO 124 Cb 0.00 -4.25 0.17 0.00 0.04 0.00 0.00 34.50 30.46 1wyq s PRO 124 CO 0.00 -2.17 1.11 -1.12 0.04 0.00 0.00 177.00 174.85 1wyq s SER 125 N 6.61 2.63 0.11 6.66 0.01 -1.26 -4.93 113.70 123.53 1wyq s SER 125 Ca 0.72 1.92 -0.21 0.00 1.31 0.00 0.00 55.95 59.70 1wyq s SER 125 Cb -0.17 -2.46 -0.08 0.00 0.21 0.00 0.00 66.02 63.52 1wyq s SER 125 CO 0.28 -3.24 1.74 0.77 0.41 0.00 0.00 173.24 173.20 1wyq h SER 126 N -1.96 0.01 0.00 2.44 4.64 -2.07 -3.57 113.55 113.04 1wyq h SER 126 Ca -0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1wyq h SER 126 Cb 1.28 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1wyq h SER 126 CO 0.46 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.06