#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyq s SER 2 N 0.00 6.29 -0.26 1.61 1.04 -1.26 -4.84 113.70 116.28 1wyq s SER 2 Ca 0.00 -1.76 -0.06 0.00 0.48 0.00 0.00 55.95 54.61 1wyq s SER 2 Cb 0.00 -2.26 -0.16 0.00 0.10 0.00 0.00 66.02 63.70 1wyq s SER 2 CO 0.00 -0.96 -0.22 -1.54 0.98 0.00 0.00 173.24 171.50 1wyq n SER 3 N 5.67 1.98 0.00 7.02 3.41 -1.26 -5.09 113.62 125.35 1wyq n SER 3 Ca -0.06 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1wyq n SER 3 Cb 0.43 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1wyq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 4 N 1.80 -0.14 2.45 5.00 0.00 -1.26 -4.94 105.19 108.11 1wyq n GLY 4 Ca -0.48 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1wyq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wyq n SER 5 N 0.00 7.63 -4.72 1.61 2.88 -1.26 -5.01 113.62 114.75 1wyq n SER 5 Ca 0.00 -3.77 -0.41 0.00 -1.33 0.00 0.00 58.87 53.35 1wyq n SER 5 Cb 0.00 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1wyq n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wyq n SER 6 N -0.77 2.91 -3.12 -3.46 3.41 -1.26 -4.97 113.62 106.35 1wyq n SER 6 Ca 0.60 1.16 -0.17 0.00 -0.26 0.00 0.00 58.87 60.20 1wyq n SER 6 Cb 0.56 -1.53 0.17 0.00 -0.26 0.00 0.00 64.21 63.15 1wyq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyq n GLY 7 N 0.71 -3.84 3.31 5.00 0.00 -1.26 -4.91 105.19 104.21 1wyq n GLY 7 Ca 0.05 -1.27 -0.45 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.60 4.32 0.00 4.61 0.00 -1.26 -4.58 120.51 119.00 1wyq n ALA 8 Ca -0.11 -4.64 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1wyq n ALA 8 Cb 0.34 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1wyq n ALA 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wyq n LYS 9 N 2.83 0.00 0.28 0.00 4.81 -1.26 -4.71 118.16 120.11 1wyq n LYS 9 Ca 0.26 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.54 1wyq n LYS 9 Cb 0.39 -0.39 -0.08 0.00 0.02 0.00 0.00 35.03 34.96 1wyq n LYS 9 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1wyq h ASP 10 N 0.00 -0.57 -0.86 3.14 2.03 -1.98 -0.85 116.42 117.32 1wyq h ASP 10 Ca 0.00 -0.03 0.18 0.00 -0.73 0.00 0.00 57.03 56.45 1wyq h ASP 10 Cb 0.54 0.15 -0.11 0.00 -0.83 0.00 0.00 39.33 39.08 1wyq h ASP 10 CO 0.00 -0.34 0.40 0.00 -1.03 0.00 0.00 179.24 178.27 1wyq h ALA 11 N -0.33 1.33 0.39 4.15 0.00 -1.89 -1.84 119.26 121.05 1wyq h ALA 11 Ca -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wyq h ALA 11 Cb 0.57 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wyq h ALA 11 CO 0.11 -0.22 -0.19 1.25 0.00 0.00 0.00 179.25 180.20 1wyq h LEU 12 N 0.49 -0.44 -0.86 0.00 5.85 -1.80 -2.45 115.31 116.09 1wyq h LEU 12 Ca 0.50 -0.11 0.22 0.00 0.84 0.00 0.00 57.88 59.34 1wyq h LEU 12 Cb 0.84 0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.84 1wyq h LEU 12 CO -0.45 -0.13 0.11 0.25 -0.34 0.00 0.00 178.44 177.88 1wyq h LEU 13 N -0.76 -0.23 -0.57 2.25 5.85 -0.41 0.34 115.31 121.78 1wyq h LEU 13 Ca -0.05 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1wyq h LEU 13 Cb 0.52 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1wyq h LEU 13 CO 0.09 -0.21 0.27 0.25 -0.34 0.00 0.00 178.44 178.49 1wyq h LEU 14 N 0.12 0.76 0.17 2.25 5.85 -1.29 -2.81 115.31 120.36 1wyq h LEU 14 Ca 0.52 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1wyq h LEU 14 Cb 1.02 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1wyq h LEU 14 CO -0.73 0.69 -0.49 -0.25 -0.34 0.00 0.00 178.44 177.32 1wyq h TRP 15 N 0.78 -1.42 -1.00 1.25 7.01 0.16 -1.29 115.95 121.44 1wyq h TRP 15 Ca 0.20 0.03 0.23 0.00 2.11 0.00 0.00 58.89 61.46 1wyq h TRP 15 Cb 0.14 0.60 -0.12 0.00 -2.10 0.00 0.00 29.16 27.67 1wyq h TRP 15 CO 0.00 -0.57 0.60 0.00 -2.79 0.00 0.00 178.44 175.68 1wyq h GLN 17 N 0.64 1.28 -0.54 0.00 4.20 -1.01 0.26 115.11 119.93 1wyq h GLN 17 Ca 0.63 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 59.20 1wyq h GLN 17 Cb 1.13 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1wyq h GLN 17 CO -0.45 0.87 0.18 0.52 -0.67 0.00 0.00 178.83 179.29 1wyq h MET 18 N 1.31 0.83 0.34 1.46 2.86 0.47 -0.22 114.93 121.98 1wyq h MET 18 Ca 0.35 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1wyq h MET 18 Cb -0.11 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.43 1wyq h MET 18 CO -0.07 0.75 -0.16 0.87 1.06 0.00 0.00 176.91 179.36 1wyq h LYS 19 N 0.74 -0.44 -0.43 1.72 1.79 -0.97 -3.22 116.57 115.76 1wyq h LYS 19 Ca 0.18 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.80 1wyq h LYS 19 Cb 0.25 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1wyq h LYS 19 CO -0.01 -0.29 0.47 1.79 -1.08 0.00 0.00 179.45 180.33 1wyq h THR 20 N -1.01 0.37 -1.80 -0.16 1.35 -0.58 -3.43 112.91 107.65 1wyq h THR 20 Ca -0.05 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.15 1wyq h THR 20 Cb 0.35 0.63 0.08 0.00 -1.73 0.00 0.00 68.15 67.48 1wyq h THR 20 CO 0.08 0.00 0.19 0.00 -0.25 0.00 0.00 175.52 175.54 1wyq n ALA 21 N -2.34 -1.17 0.00 6.62 0.00 -0.09 -2.60 120.51 120.93 1wyq n ALA 21 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1wyq n ALA 21 Cb 0.65 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1wyq n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyq n GLY 22 N 1.95 3.10 3.72 0.00 0.00 -1.26 -5.02 105.19 107.67 1wyq n GLY 22 Ca 0.16 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1wyq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wyq s TYR 23 N -0.13 3.74 -0.00 1.61 2.02 -1.07 -4.97 117.35 118.54 1wyq s TYR 23 Ca 0.00 1.74 -0.24 0.00 -0.37 0.00 0.00 57.07 58.20 1wyq s TYR 23 Cb 0.00 -3.10 -0.18 0.00 -0.40 0.00 0.00 41.96 38.28 1wyq s TYR 23 CO 0.00 0.05 1.29 -1.00 -1.57 0.00 0.00 175.55 174.32 1wyq h PRO 24 N 6.02 0.12 -1.21 -1.71 0.13 -1.98 -3.13 132.00 130.23 1wyq h PRO 24 Ca -0.42 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1wyq h PRO 24 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1wyq h PRO 24 CO 0.73 0.57 0.10 -1.71 -0.23 0.00 0.00 178.00 177.46 1wyq n ASN 25 N -4.76 3.74 -3.99 1.44 2.85 -1.26 -4.79 115.26 108.49 1wyq n ASN 25 Ca -0.08 -2.31 -0.12 0.00 -0.11 0.00 0.00 54.58 51.96 1wyq n ASN 25 Cb 0.29 -0.69 -0.12 0.00 1.24 0.00 0.00 39.78 40.50 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1wyq s VAL 26 N -0.50 0.28 -0.30 3.44 1.01 -1.18 -4.89 120.40 118.26 1wyq s VAL 26 Ca 0.08 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1wyq s VAL 26 Cb 0.07 -0.36 0.18 0.00 0.00 0.00 0.00 36.38 36.27 1wyq s VAL 26 CO 0.01 -0.31 1.06 0.21 0.00 0.00 0.00 175.10 176.08 1wyq s ASN 27 N -1.11 -0.42 -1.31 3.32 2.47 -1.26 -4.85 114.94 111.77 1wyq s ASN 27 Ca -0.09 0.19 -0.12 0.00 0.42 0.00 0.00 52.86 53.26 1wyq s ASN 27 Cb -0.08 1.32 0.13 0.00 -1.45 0.00 0.00 41.25 41.18 1wyq s ASN 27 CO -0.00 -0.08 1.88 0.52 -3.72 0.00 0.00 177.10 175.70 1wyq n VAL 28 N 5.37 4.08 -0.03 -5.21 0.31 -1.26 -4.55 118.33 117.05 1wyq n VAL 28 Ca -0.03 -4.09 0.04 0.00 -0.01 0.00 0.00 64.34 60.26 1wyq n VAL 28 Cb 0.55 -2.43 -0.15 0.00 -0.91 0.00 0.00 33.84 30.89 1wyq n VAL 28 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1wyq n HIS 29 N 5.06 0.10 -4.30 3.52 -0.00 -1.26 -4.69 115.22 113.65 1wyq n HIS 29 Ca 0.43 0.03 -0.15 0.00 -0.00 0.00 0.00 57.72 58.03 1wyq n HIS 29 Cb 0.39 -0.70 -0.04 0.00 -0.00 0.00 0.00 29.99 29.63 1wyq n HIS 29 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1wyq n ASN 30 N -2.46 1.02 -0.59 0.26 6.94 -1.26 -5.07 115.26 114.10 1wyq n ASN 30 Ca -0.12 -2.35 0.05 0.00 -0.02 0.00 0.00 54.58 52.14 1wyq n ASN 30 Cb 0.75 0.66 0.10 0.00 -2.36 0.00 0.00 39.78 38.94 1wyq n ASN 30 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1wyq n PHE 31 N -0.56 0.00 0.00 -2.53 3.72 -1.26 -4.64 117.46 112.20 1wyq n PHE 31 Ca -0.03 -0.80 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 1wyq n PHE 31 Cb 0.38 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.64 0.00 1.49 4.37 -2.24 -1.26 -4.03 114.28 111.98 1wyq n THR 32 Ca 0.11 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1wyq n THR 32 Cb 0.77 -0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.73 0.12 -0.07 4.28 -2.24 -1.26 -2.66 114.28 110.71 1wyq n THR 33 Ca 0.00 -0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1wyq n THR 33 Cb 0.00 -0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 67.95 1wyq n THR 33 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wyq n SER 34 N -0.20 0.73 -0.00 3.42 3.41 -1.26 -4.43 113.62 115.28 1wyq n SER 34 Ca 0.02 0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.82 1wyq n SER 34 Cb 0.14 0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 1wyq n SER 34 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1wyq n TRP 35 N -2.98 0.00 -0.33 7.33 7.02 -1.21 -4.54 117.44 122.74 1wyq n TRP 35 Ca -0.30 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.35 1wyq n TRP 35 Cb 1.09 -0.25 0.33 0.00 -2.42 0.00 0.00 31.31 30.07 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 0.00 0.04 0.29 -0.99 2.43 -1.72 -1.62 114.38 112.81 1wyq h ARG 36 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1wyq h ARG 36 Cb 0.60 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1wyq h ARG 36 CO 0.00 0.03 -0.14 0.22 -1.51 0.00 0.00 179.97 178.57 1wyq h ASP 37 N 0.04 -0.33 0.00 -3.80 1.82 -1.84 -3.40 116.42 108.91 1wyq h ASP 37 Ca 0.63 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.28 1wyq h ASP 37 Cb 1.36 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.45 1wyq h ASP 37 CO -0.85 -0.21 0.00 0.61 -1.61 0.00 0.00 179.24 177.18 1wyq n GLY 38 N -0.67 4.33 0.26 -0.78 0.00 -0.61 -4.17 105.19 103.54 1wyq n GLY 38 Ca -0.05 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.65 -0.27 0.99 4.77 -1.26 -0.28 117.00 120.30 1wyq n LEU 39 Ca 0.00 1.19 -0.07 0.00 -0.03 0.00 0.00 56.01 57.10 1wyq n LEU 39 Cb 0.00 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1wyq n LEU 39 CO 0.00 -0.94 0.33 0.00 -1.33 0.00 0.00 177.39 175.46 1wyq n ALA 40 N -3.36 -0.41 -0.14 -1.18 0.00 -1.26 0.11 120.51 114.25 1wyq n ALA 40 Ca 0.01 0.55 -0.05 0.00 0.00 0.00 0.00 53.44 53.95 1wyq n ALA 40 Cb 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 0.38 0.00 0.00 0.04 -0.99 0.10 116.94 116.48 1wyq h PHE 41 Ca 0.10 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1wyq h PHE 41 Cb 0.27 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1wyq h PHE 41 CO -0.71 0.18 0.00 0.09 -0.60 0.00 0.00 178.31 177.27 1wyq n ASN 42 N -4.93 0.00 -0.10 2.17 3.02 0.29 -2.93 115.26 112.78 1wyq n ASN 42 Ca 0.03 -1.02 -0.19 0.00 -0.03 0.00 0.00 54.58 53.37 1wyq n ASN 42 Cb 0.13 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 1wyq n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyq n ALA 43 N -0.79 1.32 -0.29 5.41 0.00 0.23 -3.67 120.51 122.72 1wyq n ALA 43 Ca 0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.49 1wyq n ALA 43 Cb 0.05 -0.22 0.07 0.00 0.00 0.00 0.00 19.45 19.34 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 1.24 0.27 0.00 2.04 -1.34 -2.69 117.51 117.03 1wyq h ILE 44 Ca -0.55 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1wyq h ILE 44 Cb 1.92 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1wyq h ILE 44 CO -0.06 0.28 -0.13 0.58 0.00 0.00 0.00 178.15 178.83 1wyq h VAL 45 N 1.10 0.00 -0.82 1.67 2.07 -1.77 -3.22 116.25 115.28 1wyq h VAL 45 Ca 0.27 -0.30 0.27 0.00 0.82 0.00 0.00 66.70 67.76 1wyq h VAL 45 Cb 0.08 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.70 1wyq h VAL 45 CO -0.04 0.00 0.17 1.57 0.02 0.00 0.00 177.57 179.29 1wyq n HIS 46 N -3.79 0.68 -0.23 1.57 -0.00 -1.24 0.21 115.22 112.42 1wyq n HIS 46 Ca -0.04 0.98 -0.01 0.00 -0.00 0.00 0.00 57.72 58.65 1wyq n HIS 46 Cb 0.14 -1.21 0.11 0.00 -0.00 0.00 0.00 29.99 29.03 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 0.60 0.03 1.57 1.63 -1.53 -0.11 116.57 118.75 1wyq h LYS 47 Ca 0.57 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.26 1wyq h LYS 47 Cb 1.32 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1wyq h LYS 47 CO -0.72 0.39 -0.28 0.45 -3.45 0.00 0.00 179.45 175.85 1wyq h HIS 48 N 0.61 0.23 -2.92 1.91 3.86 0.25 -3.42 115.15 115.68 1wyq h HIS 48 Ca 0.31 -0.15 -0.61 0.00 -1.16 0.00 0.00 60.37 58.77 1wyq h HIS 48 Cb 0.27 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 28.32 1wyq h HIS 48 CO -0.10 1.02 -0.76 1.03 0.86 0.00 0.00 177.93 179.99 1wyq s ARG 49 N -2.76 1.20 0.00 2.45 1.81 0.85 -4.96 118.95 117.55 1wyq s ARG 49 Ca -0.16 -1.94 0.09 0.00 -1.72 0.00 0.00 55.73 51.99 1wyq s ARG 49 Cb -0.00 -2.19 0.51 0.00 -0.45 0.00 0.00 34.95 32.82 1wyq s ARG 49 CO 0.74 -1.18 0.96 -0.35 -0.68 0.00 0.00 175.30 174.80 1wyq n PRO 50 N 3.57 0.49 -0.08 3.54 -0.04 -0.07 -2.71 135.00 139.69 1wyq n PRO 50 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1wyq n PRO 50 Cb 0.35 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 1wyq n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wyq n ASP 51 N -0.77 2.01 -0.10 3.54 -0.08 -1.26 -4.57 116.55 115.32 1wyq n ASP 51 Ca 0.06 0.12 -0.05 0.00 -1.51 0.00 0.00 54.79 53.42 1wyq n ASP 51 Cb 0.03 -0.69 -0.04 0.00 2.34 0.00 0.00 41.12 42.76 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wyq h LEU 52 N -0.25 -0.76 0.00 -2.67 3.38 -1.91 -3.44 115.31 109.66 1wyq h LEU 52 Ca -0.52 0.11 -0.40 0.00 0.09 0.00 0.00 57.88 57.15 1wyq h LEU 52 Cb 1.83 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 42.83 1wyq h LEU 52 CO -0.10 -0.12 -0.28 0.00 0.09 0.00 0.00 178.44 178.03 1wyq n LEU 53 N -3.78 0.00 -3.63 1.67 -0.00 -1.26 -5.13 117.00 104.87 1wyq n LEU 53 Ca -0.00 -1.95 -0.29 0.00 -0.00 0.00 0.00 56.01 53.76 1wyq n LEU 53 Cb 0.12 0.19 -0.14 0.00 -0.00 0.00 0.00 43.42 43.59 1wyq n LEU 53 CO -0.03 -0.30 -0.30 -1.81 -0.00 0.00 0.00 177.39 174.95 1wyq s ASP 54 N -2.75 3.57 0.33 1.45 1.01 -1.26 -4.82 116.67 114.20 1wyq s ASP 54 Ca 0.02 -2.04 0.10 0.00 0.71 0.00 0.00 52.55 51.34 1wyq s ASP 54 Cb -0.00 -0.73 0.98 0.00 1.01 0.00 0.00 42.92 44.18 1wyq s ASP 54 CO 0.01 -0.35 1.61 0.15 0.21 0.00 0.00 175.17 176.81 1wyq h PHE 55 N 7.43 0.51 -0.27 4.23 3.57 -1.93 1.46 116.94 131.95 1wyq h PHE 55 Ca -0.05 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1wyq h PHE 55 Cb 0.98 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1wyq h PHE 55 CO 0.41 -0.33 -0.04 1.05 -2.23 0.00 0.00 178.31 177.16 1wyq h GLU 56 N 0.13 0.42 -0.09 1.11 4.11 -2.00 -2.96 114.58 115.30 1wyq h GLU 56 Ca 0.68 -0.09 -0.04 0.00 0.07 0.00 0.00 59.36 59.98 1wyq h GLU 56 Cb 1.58 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 1wyq h GLU 56 CO -0.74 0.48 -0.11 1.03 0.07 0.00 0.00 179.01 179.74 1wyq h SER 57 N 0.40 0.25 -1.98 3.06 0.87 0.16 -3.46 113.55 112.86 1wyq h SER 57 Ca 0.09 -0.51 -0.58 0.00 -1.23 0.00 0.00 61.79 59.55 1wyq h SER 57 Cb 0.34 -0.07 0.19 0.00 -0.44 0.00 0.00 62.40 62.42 1wyq h SER 57 CO 0.01 0.72 -1.33 0.18 -0.53 0.00 0.00 176.83 175.88 1wyq n LEU 58 N -4.64 -4.25 -4.56 2.23 4.77 -0.45 -4.91 117.00 105.19 1wyq n LEU 58 Ca -0.07 0.52 -0.37 0.00 -0.03 0.00 0.00 56.01 56.06 1wyq n LEU 58 Cb 0.34 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 1wyq n LEU 58 CO 0.38 -5.07 -0.21 -0.75 -1.33 0.00 0.00 177.39 170.41 1wyq s LYS 59 N -1.26 3.88 -0.08 3.23 2.20 -1.26 -4.98 119.74 121.48 1wyq s LYS 59 Ca 0.52 -0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1wyq s LYS 59 Cb -0.41 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.29 1wyq s LYS 59 CO 0.70 -0.13 2.83 1.63 -0.36 0.00 0.00 175.35 180.01 1wyq n LYS 60 N 4.85 1.68 0.08 4.03 5.02 -1.26 -3.83 118.16 128.73 1wyq n LYS 60 Ca -0.15 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 1wyq n LYS 60 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -5.22 6.88 -0.03 0.00 2.47 -1.25 -4.96 114.94 112.83 1wyq s ASN 62 Ca 0.00 1.06 -0.02 0.00 0.42 0.00 0.00 52.86 54.31 1wyq s ASN 62 Cb 0.00 -2.38 -0.27 0.00 -1.45 0.00 0.00 41.25 37.15 1wyq s ASN 62 CO 0.00 -0.13 0.72 0.00 -3.72 0.00 0.00 177.10 173.97 1wyq h ALA 63 N 6.89 0.36 -0.25 1.71 0.00 -1.87 -3.18 119.26 122.92 1wyq h ALA 63 Ca -0.39 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.31 1wyq h ALA 63 Cb 1.18 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1wyq h ALA 63 CO 0.76 1.22 0.16 1.25 0.00 0.00 0.00 179.25 182.65 1wyq h HIS 64 N 0.06 0.31 -0.28 0.00 6.17 -1.79 0.25 115.15 119.87 1wyq h HIS 64 Ca -0.29 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 60.77 1wyq h HIS 64 Cb 2.03 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 31.84 1wyq h HIS 64 CO 0.06 0.19 0.06 -0.92 0.71 0.00 0.00 177.93 178.04 1wyq h TYR 65 N 0.33 0.48 -0.51 5.26 5.03 -1.91 -1.12 116.97 124.54 1wyq h TYR 65 Ca 0.09 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1wyq h TYR 65 Cb -0.03 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 1wyq h TYR 65 CO -0.07 0.53 0.31 -0.91 -1.32 0.00 0.00 178.16 176.71 1wyq h ASN 66 N 0.29 0.60 0.02 -2.11 2.35 -1.49 -1.72 115.58 113.51 1wyq h ASN 66 Ca 0.09 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1wyq h ASN 66 Cb 0.30 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1wyq h ASN 66 CO 0.00 0.46 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.16 1wyq h LEU 67 N 0.70 -0.02 -1.23 1.61 3.38 -0.68 -3.25 115.31 115.81 1wyq h LEU 67 Ca 0.18 0.00 0.42 0.00 0.09 0.00 0.00 57.88 58.57 1wyq h LEU 67 Cb -0.03 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.58 1wyq h LEU 67 CO -0.04 -0.00 0.73 0.06 0.09 0.00 0.00 178.44 179.28 1wyq h GLN 68 N -0.06 0.09 0.08 1.13 3.07 -1.25 0.54 115.11 118.72 1wyq h GLN 68 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.74 1wyq h GLN 68 Cb 0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 1wyq h GLN 68 CO 0.00 0.06 -0.43 -0.97 0.09 0.00 0.00 178.83 177.59 1wyq h ASN 69 N 0.09 -1.29 -0.53 0.06 -1.24 -1.38 -0.61 115.58 110.69 1wyq h ASN 69 Ca 0.82 0.14 -0.08 0.00 0.71 0.00 0.00 56.30 57.89 1wyq h ASN 69 Cb 2.38 0.48 -0.02 0.00 0.73 0.00 0.00 38.32 41.89 1wyq h ASN 69 CO -0.55 -0.44 0.03 0.00 -1.29 0.00 0.00 177.43 175.18 1wyq h ALA 70 N -0.73 0.71 -0.47 1.57 0.00 -1.00 -2.25 119.26 117.08 1wyq h ALA 70 Ca -0.00 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1wyq h ALA 70 Cb 0.60 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1wyq h ALA 70 CO -0.24 0.49 -0.34 0.74 0.00 0.00 0.00 179.25 179.91 1wyq h PHE 71 N 0.78 -0.94 0.58 0.00 -1.00 -0.76 0.78 116.94 116.39 1wyq h PHE 71 Ca 0.15 0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.97 1wyq h PHE 71 Cb 0.48 0.48 0.01 0.00 3.61 0.00 0.00 35.95 40.53 1wyq h PHE 71 CO 0.04 -0.39 -0.28 -0.91 -1.61 0.00 0.00 178.31 175.16 1wyq h ASN 72 N -0.22 -0.66 -0.89 2.17 2.35 -1.08 -1.87 115.58 115.36 1wyq h ASN 72 Ca 0.19 0.02 0.19 0.00 -0.55 0.00 0.00 56.30 56.15 1wyq h ASN 72 Cb 0.55 0.17 -0.17 0.00 0.05 0.00 0.00 38.32 38.92 1wyq h ASN 72 CO -0.59 -0.34 -0.19 0.18 -1.65 0.00 0.00 177.43 174.83 1wyq n LEU 73 N -4.85 -0.29 -0.05 1.61 4.77 -0.85 0.21 117.00 117.54 1wyq n LEU 73 Ca -0.10 1.53 -0.04 0.00 -0.03 0.00 0.00 56.01 57.37 1wyq n LEU 73 Cb 0.31 -0.47 0.17 0.00 -2.33 0.00 0.00 43.42 41.10 1wyq n LEU 73 CO 0.24 -1.48 0.80 0.00 -1.33 0.00 0.00 177.39 175.62 1wyq h ALA 74 N 1.78 1.08 0.00 -1.18 0.00 -0.86 0.46 119.26 120.55 1wyq h ALA 74 Ca 0.44 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wyq h ALA 74 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wyq h ALA 74 CO -0.91 0.57 0.00 1.49 0.00 0.00 0.00 179.25 180.40 1wyq h GLU 75 N 0.60 0.00 0.00 0.00 4.81 0.34 0.47 114.58 120.80 1wyq h GLU 75 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1wyq h GLU 75 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1wyq h GLU 75 CO 0.04 0.00 -0.14 1.17 -0.73 0.00 0.00 179.01 179.34 1wyq n LYS 76 N -2.70 0.08 0.03 1.92 4.81 0.39 -3.93 118.16 118.76 1wyq n LYS 76 Ca 0.01 0.03 -0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1wyq n LYS 76 Cb 0.27 -0.55 -0.01 0.00 0.02 0.00 0.00 35.03 34.76 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 -0.14 -0.12 -0.45 1.64 4.39 -0.25 -3.16 114.58 116.48 1wyq h GLU 77 Ca 0.00 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1wyq h GLU 77 Cb 0.14 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1wyq h GLU 77 CO 0.00 -0.08 0.17 -0.07 -1.16 0.00 0.00 179.01 177.87 1wyq h LEU 78 N -0.12 0.63 -0.69 1.33 3.38 -1.59 -3.48 115.31 114.77 1wyq h LEU 78 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wyq h LEU 78 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wyq h LEU 78 CO -0.01 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.77 1wyq n GLY 79 N -0.75 0.84 3.92 0.83 0.00 0.16 -5.01 105.19 105.19 1wyq n GLY 79 Ca 0.01 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.69 4.22 -0.64 0.99 1.43 -0.98 -4.97 118.68 118.04 1wyq s LEU 80 Ca 0.00 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.29 1wyq s LEU 80 Cb 0.00 -3.20 0.05 0.00 0.03 0.00 0.00 46.19 43.07 1wyq s LEU 80 CO 0.00 -0.05 1.04 -0.89 0.23 0.00 0.00 176.35 176.69 1wyq s THR 81 N -1.87 4.19 -0.71 5.49 2.01 -1.26 -4.33 115.64 119.16 1wyq s THR 81 Ca 0.39 0.08 -0.35 0.00 0.31 0.00 0.00 61.69 62.12 1wyq s THR 81 Cb -0.11 -4.70 -0.18 0.00 0.01 0.00 0.00 72.50 67.52 1wyq s THR 81 CO 0.29 -1.44 2.43 0.29 -0.69 0.00 0.00 174.62 175.50 1wyq n LYS 82 N 8.05 0.24 0.03 4.92 5.02 -1.26 -4.78 118.16 130.39 1wyq n LYS 82 Ca 0.00 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 1wyq n LYS 82 Cb 0.47 -1.81 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 1wyq n LYS 82 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wyq h LEU 83 N 11.86 0.45 0.00 -0.35 3.38 -1.98 -3.48 115.31 125.20 1wyq h LEU 83 Ca -0.11 -0.88 -0.29 0.00 0.09 0.00 0.00 57.88 56.68 1wyq h LEU 83 Cb 1.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wyq h LEU 83 CO 1.23 1.63 -0.11 0.18 0.09 0.00 0.00 178.44 181.46 1wyq n LEU 84 N -3.87 0.00 -4.18 1.67 4.77 -1.26 -5.14 117.00 108.99 1wyq n LEU 84 Ca -0.23 -1.47 -0.15 0.00 -0.03 0.00 0.00 56.01 54.12 1wyq n LEU 84 Cb 0.93 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.82 1wyq n LEU 84 CO 0.45 -0.49 -0.43 -1.81 -1.33 0.00 0.00 177.39 173.78 1wyq s ASP 85 N -2.79 1.53 0.00 -1.43 1.11 -1.26 -5.02 116.67 108.81 1wyq s ASP 85 Ca 0.22 -0.78 0.15 0.00 0.18 0.00 0.00 52.55 52.32 1wyq s ASP 85 Cb -0.02 -0.01 0.80 0.00 1.07 0.00 0.00 42.92 44.77 1wyq s ASP 85 CO 0.14 -0.22 1.39 -0.81 1.18 0.00 0.00 175.17 176.85 1wyq n PRO 86 N 0.68 0.30 -0.06 8.23 -0.04 -1.26 -2.00 135.00 140.85 1wyq n PRO 86 Ca -0.17 0.10 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1wyq n PRO 86 Cb 0.57 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.20 1.30 -0.04 0.54 0.28 -1.26 -4.24 120.64 116.02 1wyq n GLU 87 Ca 0.08 0.04 -0.15 0.00 -0.16 0.00 0.00 57.16 56.97 1wyq n GLU 87 Cb 0.10 -1.25 -0.08 0.00 1.43 0.00 0.00 31.44 31.64 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 0.61 0.20 -1.84 3.32 -1.93 -3.36 116.42 113.41 1wyq h ASP 88 Ca -0.27 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.18 1wyq h ASP 88 Cb 1.51 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1wyq h ASP 88 CO -0.02 1.09 -0.09 0.58 -1.72 0.00 0.00 179.24 179.08 1wyq h VAL 89 N 0.16 0.00 -0.40 -1.35 2.07 -1.67 -3.43 116.25 111.63 1wyq h VAL 89 Ca -0.01 -0.08 -0.75 0.00 0.82 0.00 0.00 66.70 66.68 1wyq h VAL 89 Cb 1.03 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1wyq h VAL 89 CO 0.09 0.00 1.30 -0.46 0.02 0.00 0.00 177.57 178.52 1wyq n ASN 90 N -2.94 1.21 -3.62 0.57 6.94 -1.26 -4.53 115.26 111.63 1wyq n ASN 90 Ca -0.03 0.64 0.01 0.00 -0.02 0.00 0.00 54.58 55.18 1wyq n ASN 90 Cb 0.10 -1.01 -0.01 0.00 -2.36 0.00 0.00 39.78 36.51 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1wyq s VAL 91 N 6.14 0.00 0.10 3.53 0.11 -1.26 -4.89 120.40 124.13 1wyq s VAL 91 Ca 1.16 -0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 59.71 1wyq s VAL 91 Cb -1.31 -1.94 -0.12 0.00 -1.53 0.00 0.00 36.38 31.49 1wyq s VAL 91 CO 0.62 0.00 1.65 0.44 -3.33 0.00 0.00 175.10 174.48 1wyq h ASP 92 N 2.00 -0.68 -2.59 3.54 3.32 -1.98 -3.37 116.42 116.67 1wyq h ASP 92 Ca -0.29 0.06 -0.60 0.00 0.02 0.00 0.00 57.03 56.22 1wyq h ASP 92 Cb 1.20 0.24 -0.39 0.00 0.22 0.00 0.00 39.33 40.60 1wyq h ASP 92 CO 0.28 -0.36 -0.87 0.00 -1.72 0.00 0.00 179.24 176.57 1wyq s GLN 93 N -6.07 1.26 0.94 3.56 -2.07 -1.26 -4.69 119.66 111.33 1wyq s GLN 93 Ca -0.16 -2.35 -0.12 0.00 -1.82 0.00 0.00 55.36 50.91 1wyq s GLN 93 Cb 0.07 -1.91 0.15 0.00 -1.09 0.00 0.00 33.01 30.23 1wyq s GLN 93 CO 0.64 -1.35 1.09 -1.25 -1.32 0.00 0.00 175.29 173.11 1wyq s PRO 94 N -0.22 0.90 -0.86 9.60 0.04 -1.26 -4.91 135.00 138.29 1wyq s PRO 94 Ca 0.30 0.69 -0.25 0.00 0.04 0.00 0.00 61.00 61.78 1wyq s PRO 94 Cb -0.01 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1wyq s PRO 94 CO -0.17 -2.45 1.71 -0.51 0.04 0.00 0.00 177.00 175.62 1wyq s ASP 95 N -3.44 5.67 0.28 6.66 1.11 -1.26 -4.84 116.67 120.85 1wyq s ASP 95 Ca 0.64 -0.67 0.01 0.00 0.18 0.00 0.00 52.55 52.71 1wyq s ASP 95 Cb -0.18 -2.56 0.67 0.00 1.07 0.00 0.00 42.92 41.92 1wyq s ASP 95 CO 0.57 -2.22 1.64 1.05 1.18 0.00 0.00 175.17 177.39 1wyq h GLU 96 N 11.41 0.18 -0.83 8.23 9.09 -1.91 0.50 114.58 141.24 1wyq h GLU 96 Ca 0.01 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1wyq h GLU 96 Cb 1.04 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 28.06 1wyq h GLU 96 CO 1.28 0.12 0.43 0.87 0.05 0.00 0.00 179.01 181.75 1wyq h LYS 97 N 0.18 1.17 0.00 1.06 1.79 -1.88 0.23 116.57 119.12 1wyq h LYS 97 Ca 0.53 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.84 1wyq h LYS 97 Cb 1.06 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1wyq h LYS 97 CO -0.67 0.88 -0.05 0.66 -1.08 0.00 0.00 179.45 179.19 1wyq h SER 98 N 1.17 0.00 0.03 0.86 4.64 -0.42 -2.93 113.55 116.90 1wyq h SER 98 Ca 0.29 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.28 1wyq h SER 98 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1wyq h SER 98 CO -0.04 0.05 -1.82 -0.38 -0.87 0.00 0.00 176.83 173.77 1wyq n ILE 99 N -3.32 1.59 -0.35 0.95 5.41 -0.58 -3.86 119.36 119.20 1wyq n ILE 99 Ca -0.01 -0.30 0.26 0.00 1.00 0.00 0.00 62.75 63.70 1wyq n ILE 99 Cb 0.21 -1.88 0.54 0.00 -0.71 0.00 0.00 39.64 37.80 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 -0.66 0.43 -0.22 1.39 2.04 -0.50 0.34 117.51 120.32 1wyq h ILE 100 Ca -0.47 -0.11 -0.19 0.00 1.00 0.00 0.00 64.86 65.10 1wyq h ILE 100 Cb 1.59 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1wyq h ILE 100 CO -0.18 0.06 -0.60 0.74 0.00 0.00 0.00 178.15 178.17 1wyq h THR 101 N 0.32 1.29 0.39 -0.27 2.02 -1.70 -1.94 112.91 113.01 1wyq h THR 101 Ca 0.65 -1.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1wyq h THR 101 Cb 1.75 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.97 1wyq h THR 101 CO -0.33 0.58 -0.19 0.22 0.37 0.00 0.00 175.52 176.17 1wyq h TYR 102 N 0.55 -0.48 -0.44 3.16 5.03 -0.55 -3.05 116.97 121.19 1wyq h TYR 102 Ca -0.01 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.31 1wyq h TYR 102 Cb 1.22 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.64 1wyq h TYR 102 CO 0.08 -0.17 0.29 -0.24 -1.32 0.00 0.00 178.16 176.80 1wyq h VAL 103 N -0.78 1.05 -1.02 1.81 3.04 -1.07 -2.06 116.25 117.23 1wyq h VAL 103 Ca -0.05 -0.17 0.25 0.00 -1.01 0.00 0.00 66.70 65.71 1wyq h VAL 103 Cb 0.52 0.51 -0.11 0.00 -2.01 0.00 0.00 31.29 30.20 1wyq h VAL 103 CO 0.09 0.09 0.63 0.00 -1.01 0.00 0.00 177.57 177.37 1wyq h ALA 104 N 1.74 1.97 -0.67 3.17 0.00 -1.23 0.10 119.26 124.35 1wyq h ALA 104 Ca 0.18 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1wyq h ALA 104 Cb 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1wyq h ALA 104 CO -0.04 -0.40 0.41 1.79 0.00 0.00 0.00 179.25 181.01 1wyq h THR 105 N 0.53 1.07 -0.93 0.00 1.35 -1.41 -1.53 112.91 111.98 1wyq h THR 105 Ca 0.61 -0.27 0.23 0.00 -0.55 0.00 0.00 66.41 66.43 1wyq h THR 105 Cb 1.30 0.20 -0.07 0.00 -1.73 0.00 0.00 68.15 67.86 1wyq h THR 105 CO -0.38 0.15 0.63 1.88 -0.25 0.00 0.00 175.52 177.54 1wyq h TYR 106 N 0.80 0.45 0.04 4.73 -1.99 -0.92 0.33 116.97 120.40 1wyq h TYR 106 Ca 0.27 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 1wyq h TYR 106 Cb 0.04 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.63 1wyq h TYR 106 CO -0.05 0.10 -0.02 -0.92 -0.00 0.00 0.00 178.16 177.27 1wyq h TYR 107 N 0.32 -0.05 0.25 4.88 3.20 -1.30 -3.14 116.97 121.12 1wyq h TYR 107 Ca 0.49 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.36 1wyq h TYR 107 Cb 1.36 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.62 1wyq h TYR 107 CO -0.00 0.48 -0.33 0.45 -1.64 0.00 0.00 178.16 177.12 1wyq h HIS 108 N -0.96 -0.90 -0.08 -3.82 3.86 -0.70 0.38 115.15 112.92 1wyq h HIS 108 Ca -0.01 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1wyq h HIS 108 Cb 0.56 0.36 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1wyq h HIS 108 CO 0.14 -0.46 -0.12 -0.92 0.86 0.00 0.00 177.93 177.43 1wyq h TYR 109 N -0.64 -0.37 -0.74 2.45 3.20 -0.54 -0.93 116.97 119.41 1wyq h TYR 109 Ca 0.00 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1wyq h TYR 109 Cb 0.61 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.97 1wyq h TYR 109 CO -0.24 -0.11 0.36 0.74 -1.64 0.00 0.00 178.16 177.27 1wyq h PHE 110 N -0.10 0.63 -0.63 -3.82 0.04 -1.51 -2.08 116.94 109.47 1wyq h PHE 110 Ca 0.01 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.94 1wyq h PHE 110 Cb 0.13 -0.17 -0.12 0.00 2.20 0.00 0.00 35.95 37.99 1wyq h PHE 110 CO -0.60 0.20 -0.22 1.03 -0.60 0.00 0.00 178.31 178.12 1wyq h SER 111 N 0.58 -0.78 -0.92 2.17 0.87 0.69 0.88 113.55 117.04 1wyq h SER 111 Ca 0.37 0.21 0.25 0.00 -1.23 0.00 0.00 61.79 61.40 1wyq h SER 111 Cb 0.44 0.46 -0.16 0.00 -0.44 0.00 0.00 62.40 62.70 1wyq h SER 111 CO -0.30 -0.25 0.14 0.11 -0.53 0.00 0.00 176.83 175.99 1wyq h LYS 112 N -0.06 0.09 -6.00 2.24 1.79 -0.46 -3.42 116.57 110.76 1wyq h LYS 112 Ca 0.29 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.53 1wyq h LYS 112 Cb 0.51 -0.02 0.13 0.00 -1.58 0.00 0.00 32.23 31.26 1wyq h LYS 112 CO -0.68 0.06 -0.35 -1.33 -1.08 0.00 0.00 179.45 176.07 1wyq n MET 113 N -5.36 -2.07 -0.78 3.15 2.81 0.30 -4.83 117.12 110.35 1wyq n MET 113 Ca 0.22 -0.61 -0.29 0.00 -1.81 0.00 0.00 57.70 55.21 1wyq n MET 113 Cb 0.73 -1.44 0.10 0.00 -0.71 0.00 0.00 33.22 31.90 1wyq n MET 113 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1wyq n LYS 114 N -1.47 -0.98 -3.14 0.03 0.00 -1.26 -4.06 118.16 107.27 1wyq n LYS 114 Ca 0.05 -0.28 -0.14 0.00 -0.00 0.00 0.00 58.31 57.94 1wyq n LYS 114 Cb 0.35 -1.33 0.07 0.00 -0.00 0.00 0.00 35.03 34.12 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wyq n ALA 115 N -3.95 -1.55 -1.75 0.58 0.00 -1.26 -4.94 120.51 107.65 1wyq n ALA 115 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1wyq n ALA 115 Cb 0.57 -2.19 0.04 0.00 0.00 0.00 0.00 19.45 17.87 1wyq n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wyq s LEU 116 N -5.48 3.82 -0.40 0.00 2.01 -1.26 -4.92 118.68 112.45 1wyq s LEU 116 Ca 0.03 2.75 0.06 0.00 0.01 0.00 0.00 54.13 56.98 1wyq s LEU 116 Cb -0.01 -4.31 0.64 0.00 0.01 0.00 0.00 46.19 42.51 1wyq s LEU 116 CO 0.58 -1.63 1.81 0.00 1.01 0.00 0.00 176.35 178.12 1wyq n ALA 117 N -1.13 5.22 -2.88 4.21 0.00 -1.26 -4.93 120.51 119.74 1wyq n ALA 117 Ca 0.11 -2.90 -0.21 0.00 0.00 0.00 0.00 53.44 50.44 1wyq n ALA 117 Cb 0.45 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 1wyq n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wyq s VAL 118 N -3.26 0.90 0.35 0.00 0.11 -1.26 -5.15 120.40 112.09 1wyq s VAL 118 Ca 0.54 -0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1wyq s VAL 118 Cb 0.46 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1wyq s VAL 118 CO 0.09 0.27 0.61 -1.83 -3.33 0.00 0.00 175.10 170.90 1wyq s GLU 119 N 0.02 3.58 0.28 1.54 -1.05 -1.26 -5.11 118.70 116.71 1wyq s GLU 119 Ca -0.01 -0.04 -0.07 0.00 -0.15 0.00 0.00 54.97 54.70 1wyq s GLU 119 Cb -0.08 -2.59 -0.00 0.00 -0.44 0.00 0.00 34.13 31.02 1wyq s GLU 119 CO 0.00 0.10 0.44 0.20 0.95 0.00 0.00 175.26 176.96 1wyq s GLY 120 N -3.60 1.02 0.45 -3.83 0.00 -1.26 -5.18 107.32 94.91 1wyq s GLY 120 Ca 0.44 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1wyq s GLY 120 CO 0.35 -0.86 0.04 -1.59 0.00 0.00 0.00 173.10 171.03 1wyq s LYS 121 N -3.60 2.04 0.05 2.90 0.00 -1.26 -5.14 119.74 114.73 1wyq s LYS 121 Ca 0.27 -2.26 -0.15 0.00 0.00 0.00 0.00 55.97 53.84 1wyq s LYS 121 Cb 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 37.83 36.50 1wyq s LYS 121 CO 0.14 -0.32 0.47 -1.54 0.00 0.00 0.00 175.35 174.09 1wyq s SER 122 N -3.75 6.86 -0.41 0.03 1.04 -1.26 -5.05 113.70 111.16 1wyq s SER 122 Ca 0.18 1.04 0.04 0.00 0.48 0.00 0.00 55.95 57.68 1wyq s SER 122 Cb 0.04 -2.28 0.17 0.00 0.10 0.00 0.00 66.02 64.05 1wyq s SER 122 CO 0.09 0.27 0.40 -0.83 0.98 0.00 0.00 173.24 174.15 1wyq s GLY 123 N -1.24 0.42 0.20 7.32 0.00 -1.26 -5.13 107.32 107.63 1wyq s GLY 123 Ca 0.28 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.04 1wyq s GLY 123 CO 0.16 2.54 1.30 2.56 0.00 0.00 0.00 173.10 179.66 1wyq s PRO 124 N 0.67 4.40 -0.20 2.90 0.04 -1.26 -5.03 135.00 136.52 1wyq s PRO 124 Ca 0.26 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 1wyq s PRO 124 Cb -0.05 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 1wyq s PRO 124 CO -0.10 -0.24 -0.10 0.45 0.04 0.00 0.00 177.00 177.05 1wyq s SER 125 N 0.31 3.94 -0.18 6.66 0.15 -1.26 -5.10 113.70 118.22 1wyq s SER 125 Ca 0.56 -0.46 -0.09 0.00 0.70 0.00 0.00 55.95 56.67 1wyq s SER 125 Cb -0.36 -1.65 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 1wyq s SER 125 CO 0.38 0.00 0.12 -0.44 1.20 0.00 0.00 173.24 174.50 1wyq s SER 126 N 1.32 6.14 0.00 5.45 0.01 -1.26 -5.38 113.70 119.98 1wyq s SER 126 Ca 0.04 0.26 0.15 0.00 1.31 0.00 0.00 55.95 57.71 1wyq s SER 126 Cb -0.14 -2.05 0.12 0.00 0.21 0.00 0.00 66.02 64.16 1wyq s SER 126 CO -0.05 0.24 0.97 0.61 0.41 0.00 0.00 173.24 175.42