#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 1.34 -0.21 1.61 1.04 -1.26 -5.11 113.70 111.10 1wyq s SER 2 Ca 0.00 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 1wyq s SER 2 Cb 0.00 -0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.01 1wyq s SER 2 CO 0.00 -0.26 0.08 -0.55 0.98 0.00 0.00 173.24 173.49 1wyq s SER 3 N 2.15 2.86 0.00 7.02 0.15 -1.26 -5.02 113.70 119.60 1wyq s SER 3 Ca 0.05 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1wyq s SER 3 Cb -0.13 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1wyq s SER 3 CO -0.04 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1wyq n GLY 4 N 5.18 1.51 3.97 9.45 0.00 -1.26 -5.14 105.19 118.90 1wyq n GLY 4 Ca -0.07 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 4.18 -0.15 1.61 0.01 -1.26 -5.11 113.70 112.98 1wyq s SER 5 Ca 0.00 -0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.10 1wyq s SER 5 Cb 0.00 -0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.04 1wyq s SER 5 CO 0.00 -1.98 0.32 -0.55 0.41 0.00 0.00 173.24 171.43 1wyq s SER 6 N -4.73 0.11 0.00 2.44 0.15 -1.26 -5.13 113.70 105.28 1wyq s SER 6 Ca 0.67 0.73 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1wyq s SER 6 Cb -0.06 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1wyq s SER 6 CO 0.46 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1wyq n GLY 7 N 5.29 0.63 3.89 9.45 0.00 -1.26 -4.96 105.19 118.23 1wyq n GLY 7 Ca -0.08 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 1wyq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyq s ALA 8 N -1.22 3.29 -0.81 4.61 0.00 -1.26 -4.32 121.76 122.05 1wyq s ALA 8 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1wyq s ALA 8 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1wyq s ALA 8 CO 0.00 -0.38 0.68 1.17 0.00 0.00 0.00 175.76 177.23 1wyq n LYS 9 N -2.21 -4.53 0.00 0.00 4.81 -1.26 -4.94 118.16 110.03 1wyq n LYS 9 Ca 0.03 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1wyq n LYS 9 Cb 0.55 -4.70 0.00 0.00 0.02 0.00 0.00 35.03 30.89 1wyq n LYS 9 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wyq n ASP 10 N -2.18 1.93 -0.34 3.14 9.92 -1.26 -4.51 116.55 123.24 1wyq n ASP 10 Ca -0.15 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.15 1wyq n ASP 10 Cb 0.60 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 41.29 1wyq n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wyq h ALA 11 N 0.00 1.47 0.17 2.24 0.00 -1.92 -1.21 119.26 120.01 1wyq h ALA 11 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wyq h ALA 11 Cb 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wyq h ALA 11 CO 0.00 0.36 -0.08 1.25 0.00 0.00 0.00 179.25 180.78 1wyq h LEU 12 N 1.09 -0.19 -0.85 0.00 5.85 -2.00 -2.98 115.31 116.22 1wyq h LEU 12 Ca 0.43 -0.26 0.22 0.00 0.84 0.00 0.00 57.88 59.11 1wyq h LEU 12 Cb 0.25 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.18 1wyq h LEU 12 CO -0.18 0.37 0.13 0.25 -0.34 0.00 0.00 178.44 178.67 1wyq h LEU 13 N -0.97 -0.18 -0.76 2.25 5.85 -1.76 0.39 115.31 120.12 1wyq h LEU 13 Ca -0.02 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1wyq h LEU 13 Cb 0.44 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1wyq h LEU 13 CO 0.04 -0.19 0.43 0.25 -0.34 0.00 0.00 178.44 178.63 1wyq h LEU 14 N 0.15 0.94 0.44 2.25 5.85 -1.31 -1.63 115.31 121.99 1wyq h LEU 14 Ca 0.51 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 1wyq h LEU 14 Cb 1.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1wyq h LEU 14 CO -0.69 0.75 -0.44 -0.25 -0.34 0.00 0.00 178.44 177.47 1wyq h TRP 15 N 1.05 -1.22 -0.96 1.25 7.01 -0.09 0.10 115.95 123.10 1wyq h TRP 15 Ca 0.27 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.40 1wyq h TRP 15 Cb 0.01 0.47 -0.08 0.00 -2.10 0.00 0.00 29.16 27.47 1wyq h TRP 15 CO -0.00 -0.58 0.61 0.00 -2.79 0.00 0.00 178.44 175.67 1wyq h GLN 17 N 0.91 1.08 -0.23 0.00 4.20 -0.80 0.37 115.11 120.63 1wyq h GLN 17 Ca 0.47 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 1wyq h GLN 17 Cb 0.52 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wyq h GLN 17 CO -0.23 0.85 -0.19 0.52 -0.67 0.00 0.00 178.83 179.10 1wyq h MET 18 N 1.04 0.54 0.60 1.46 2.86 0.55 -0.85 114.93 121.13 1wyq h MET 18 Ca 0.25 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1wyq h MET 18 Cb 0.14 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1wyq h MET 18 CO -0.03 0.85 -0.29 0.87 1.06 0.00 0.00 176.91 179.37 1wyq h LYS 19 N 0.24 -0.77 -0.03 1.72 1.79 -0.89 -3.09 116.57 115.53 1wyq h LYS 19 Ca 0.04 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1wyq h LYS 19 Cb 0.73 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1wyq h LYS 19 CO 0.05 -0.50 0.08 1.79 -1.08 0.00 0.00 179.45 179.79 1wyq h THR 20 N -1.20 0.21 -0.96 -0.16 1.35 -0.37 -2.45 112.91 109.32 1wyq h THR 20 Ca -0.08 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.05 1wyq h THR 20 Cb 0.62 0.93 -0.14 0.00 -1.73 0.00 0.00 68.15 67.83 1wyq h THR 20 CO 0.13 0.00 0.49 0.00 -0.25 0.00 0.00 175.52 175.89 1wyq h ALA 21 N 1.87 1.70 -1.03 6.62 0.00 -1.06 0.21 119.26 127.58 1wyq h ALA 21 Ca 0.02 0.17 0.42 0.00 0.00 0.00 0.00 54.91 55.52 1wyq h ALA 21 Cb 0.18 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 17.95 1wyq h ALA 21 CO -0.00 -0.43 0.57 0.41 0.00 0.00 0.00 179.25 179.80 1wyq n GLY 22 N -1.32 -0.74 3.79 0.00 0.00 -0.92 -4.17 105.19 101.83 1wyq n GLY 22 Ca 0.27 0.78 -0.37 0.00 0.00 0.00 0.00 46.02 46.70 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 -5.43 3.56 -0.02 1.61 1.51 0.06 -5.01 117.35 113.63 1wyq s TYR 23 Ca -0.08 0.67 -0.25 0.00 -1.01 0.00 0.00 57.07 56.39 1wyq s TYR 23 Cb 0.32 -2.22 -0.19 0.00 -0.11 0.00 0.00 41.96 39.76 1wyq s TYR 23 CO 0.76 0.47 1.22 -1.00 -1.11 0.00 0.00 175.55 175.90 1wyq h PRO 24 N 5.73 -0.07 -0.62 -1.71 0.13 -1.84 -3.27 132.00 130.35 1wyq h PRO 24 Ca -0.47 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1wyq h PRO 24 Cb 1.19 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1wyq h PRO 24 CO 0.67 0.39 0.33 -0.91 -0.23 0.00 0.00 178.00 178.25 1wyq h ASN 25 N -0.56 0.47 -4.18 1.44 4.21 -1.94 -3.42 115.58 111.59 1wyq h ASN 25 Ca -0.01 0.04 -0.52 0.00 1.21 0.00 0.00 56.30 57.02 1wyq h ASN 25 Cb 0.49 -0.05 0.12 0.00 -1.12 0.00 0.00 38.32 37.76 1wyq h ASN 25 CO 0.01 0.30 0.38 -0.69 -1.29 0.00 0.00 177.43 176.15 1wyq s VAL 26 N -6.10 2.86 -0.30 2.81 1.01 -1.23 -5.04 120.40 114.41 1wyq s VAL 26 Ca -0.13 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1wyq s VAL 26 Cb 0.16 -2.95 0.18 0.00 0.00 0.00 0.00 36.38 33.76 1wyq s VAL 26 CO 0.75 -0.23 1.02 0.20 0.00 0.00 0.00 175.10 176.84 1wyq s ASN 27 N -2.32 -0.51 -1.29 3.32 -0.87 -1.26 -4.86 114.94 107.16 1wyq s ASN 27 Ca 0.70 0.21 -0.15 0.00 -1.57 0.00 0.00 52.86 52.06 1wyq s ASN 27 Cb -0.24 1.38 0.11 0.00 -0.02 0.00 0.00 41.25 42.49 1wyq s ASN 27 CO 0.42 -0.09 1.72 0.52 -2.57 0.00 0.00 177.10 177.10 1wyq n VAL 28 N 5.35 4.04 -0.06 1.60 0.31 -1.26 -4.62 118.33 123.69 1wyq n VAL 28 Ca -0.01 -4.22 -0.13 0.00 -0.01 0.00 0.00 64.34 59.97 1wyq n VAL 28 Cb 0.55 -2.43 -0.14 0.00 -0.91 0.00 0.00 33.84 30.91 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 6.49 0.56 -4.62 3.52 -0.00 -1.26 -4.56 115.22 115.35 1wyq n HIS 29 Ca 0.44 0.17 -0.29 0.00 -0.00 0.00 0.00 57.72 58.04 1wyq n HIS 29 Cb 0.43 -1.09 -0.08 0.00 -0.00 0.00 0.00 29.99 29.25 1wyq n HIS 29 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1wyq s ASN 30 N -6.19 3.39 -0.17 0.26 4.22 -1.26 -5.06 114.94 110.13 1wyq s ASN 30 Ca -0.16 -1.67 0.15 0.00 -2.14 0.00 0.00 52.86 49.05 1wyq s ASN 30 Cb 0.07 0.51 0.36 0.00 1.28 0.00 0.00 41.25 43.47 1wyq s ASN 30 CO 0.77 -0.90 1.19 0.49 -2.04 0.00 0.00 177.10 176.62 1wyq n PHE 31 N -1.07 0.05 0.00 1.54 3.72 -1.26 -4.47 117.46 115.97 1wyq n PHE 31 Ca -0.12 -1.23 0.00 0.00 -0.05 0.00 0.00 57.45 56.05 1wyq n PHE 31 Cb 0.66 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.27 0.00 0.71 4.37 -2.24 -1.26 -3.86 114.28 110.72 1wyq n THR 32 Ca 0.18 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 1wyq n THR 32 Cb 0.68 -0.37 0.10 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.86 0.61 -0.04 4.28 -2.24 -1.26 -2.94 114.28 110.82 1wyq n THR 33 Ca 0.00 -0.33 0.02 0.00 -2.27 0.00 0.00 64.05 61.47 1wyq n THR 33 Cb 0.00 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 1wyq n THR 33 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wyq n SER 34 N 0.14 0.38 -0.00 3.42 7.64 -1.26 -4.52 113.62 119.41 1wyq n SER 34 Ca 0.07 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.98 1wyq n SER 34 Cb 0.42 1.54 -0.06 0.00 -1.01 0.00 0.00 64.21 65.10 1wyq n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wyq n TRP 35 N -2.40 0.00 -0.32 1.43 7.02 -1.22 -4.41 117.44 117.54 1wyq n TRP 35 Ca -0.14 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.53 1wyq n TRP 35 Cb 0.76 -0.17 0.39 0.00 -2.42 0.00 0.00 31.31 29.87 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 0.16 -0.19 -0.99 2.43 -1.76 0.34 114.38 114.37 1wyq h ARG 36 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1wyq h ARG 36 Cb 0.37 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1wyq h ARG 36 CO 0.00 0.11 0.10 0.38 -1.51 0.00 0.00 179.97 179.04 1wyq h ASP 37 N 0.17 0.24 0.00 -3.80 2.03 -1.85 -3.42 116.42 109.80 1wyq h ASP 37 Ca 0.66 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.85 1wyq h ASP 37 Cb 1.49 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.92 1wyq h ASP 37 CO -0.71 0.28 0.00 0.61 -1.03 0.00 0.00 179.24 178.40 1wyq n GLY 38 N -0.86 3.31 0.32 7.15 0.00 0.12 -4.17 105.19 111.05 1wyq n GLY 38 Ca -0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.61 -0.33 0.99 4.77 -1.26 -0.24 117.00 120.32 1wyq n LEU 39 Ca 0.00 1.40 -0.07 0.00 -0.03 0.00 0.00 56.01 57.31 1wyq n LEU 39 Cb 0.00 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1wyq n LEU 39 CO 0.00 -1.23 0.40 0.00 -1.33 0.00 0.00 177.39 175.23 1wyq n ALA 40 N -3.53 -0.44 -0.37 -1.18 0.00 -1.26 0.14 120.51 113.87 1wyq n ALA 40 Ca 0.06 0.70 -0.01 0.00 0.00 0.00 0.00 53.44 54.19 1wyq n ALA 40 Cb 0.29 -0.15 0.13 0.00 0.00 0.00 0.00 19.45 19.71 1wyq n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wyq h PHE 41 N 0.00 1.24 0.00 0.00 0.04 -0.94 0.37 116.94 117.65 1wyq h PHE 41 Ca 0.15 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1wyq h PHE 41 Cb 0.35 -0.42 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1wyq h PHE 41 CO -0.80 0.76 0.00 0.09 -0.60 0.00 0.00 178.31 177.76 1wyq n ASN 42 N -4.40 0.00 -0.08 2.17 3.02 0.36 -2.98 115.26 113.36 1wyq n ASN 42 Ca 0.12 -0.71 -0.11 0.00 -0.03 0.00 0.00 54.58 53.85 1wyq n ASN 42 Cb 0.04 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.05 1.46 -0.06 5.41 0.00 0.24 -3.68 120.51 122.83 1wyq n ALA 43 Ca 0.19 -1.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.36 1wyq n ALA 43 Cb 0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 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 1.32 0.33 0.00 2.04 -1.34 -3.08 117.51 116.78 1wyq h ILE 44 Ca -0.48 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 1wyq h ILE 44 Cb 2.14 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1wyq h ILE 44 CO 0.03 0.35 -0.16 0.58 0.00 0.00 0.00 178.15 178.95 1wyq h VAL 45 N 0.02 0.00 -0.78 1.67 2.07 -1.77 -3.14 116.25 114.33 1wyq h VAL 45 Ca 0.03 -0.20 0.32 0.00 0.82 0.00 0.00 66.70 67.68 1wyq h VAL 45 Cb 0.59 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.23 1wyq h VAL 45 CO 0.03 0.00 0.43 1.57 0.02 0.00 0.00 177.57 179.62 1wyq n HIS 46 N -3.74 0.83 -0.08 1.57 -0.00 -1.24 0.23 115.22 112.80 1wyq n HIS 46 Ca -0.06 0.84 -0.10 0.00 -0.00 0.00 0.00 57.72 58.41 1wyq n HIS 46 Cb 0.18 -1.26 -0.03 0.00 -0.00 0.00 0.00 29.99 28.88 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 0.38 0.02 1.57 1.63 -1.51 -1.04 116.57 117.62 1wyq h LYS 47 Ca 0.64 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.39 1wyq h LYS 47 Cb 1.73 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.28 1wyq h LYS 47 CO -0.55 0.34 -0.01 0.45 -3.45 0.00 0.00 179.45 176.24 1wyq h HIS 48 N 0.32 -0.02 -2.95 1.91 3.86 0.29 -3.42 115.15 115.15 1wyq h HIS 48 Ca 0.10 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.69 1wyq h HIS 48 Cb 0.08 0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.15 1wyq h HIS 48 CO -0.03 0.72 -0.72 1.03 0.86 0.00 0.00 177.93 179.79 1wyq s ARG 49 N -2.54 1.60 0.00 2.45 1.81 0.13 -4.94 118.95 117.46 1wyq s ARG 49 Ca -0.15 -2.43 0.11 0.00 -1.72 0.00 0.00 55.73 51.53 1wyq s ARG 49 Cb -0.02 -2.56 0.64 0.00 -0.45 0.00 0.00 34.95 32.56 1wyq s ARG 49 CO 0.58 -1.22 1.07 -0.35 -0.68 0.00 0.00 175.30 174.70 1wyq n PRO 50 N 2.98 0.49 0.08 3.54 -0.04 -0.40 -2.85 135.00 138.80 1wyq n PRO 50 Ca 0.15 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.38 1wyq n PRO 50 Cb 0.37 -1.34 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.61 0.26 3.54 3.58 -1.92 -3.37 116.42 119.11 1wyq h ASP 51 Ca 0.00 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.52 1wyq h ASP 51 Cb 0.00 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1wyq h ASP 51 CO 0.00 1.56 -0.47 -0.07 -2.88 0.00 0.00 179.24 177.38 1wyq h LEU 52 N -0.14 -1.38 -9.52 2.28 3.38 -1.93 -3.45 115.31 104.55 1wyq h LEU 52 Ca -0.22 0.13 -0.56 0.00 0.09 0.00 0.00 57.88 57.32 1wyq h LEU 52 Cb 1.88 0.49 -0.13 0.00 0.09 0.00 0.00 40.66 42.99 1wyq h LEU 52 CO 0.19 -0.55 -0.56 -1.48 0.09 0.00 0.00 178.44 176.13 1wyq s LEU 53 N -9.64 2.23 -0.16 1.67 2.34 -1.26 -5.07 118.68 108.79 1wyq s LEU 53 Ca -0.15 -1.53 0.06 0.00 0.06 0.00 0.00 54.13 52.56 1wyq s LEU 53 Cb 0.05 -0.43 -0.14 0.00 -0.56 0.00 0.00 46.19 45.11 1wyq s LEU 53 CO 0.55 -0.75 -0.07 0.47 -1.06 0.00 0.00 176.35 175.49 1wyq n ASP 54 N -1.05 2.24 -2.37 1.48 8.00 -1.26 -4.68 116.55 118.91 1wyq n ASP 54 Ca -0.07 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.22 1wyq n ASP 54 Cb 0.66 0.17 0.04 0.00 -0.02 0.00 0.00 41.12 41.97 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 -2.81 -1.68 0.00 1.24 7.35 -1.26 -4.89 117.46 115.42 1wyq n PHE 55 Ca -0.27 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1wyq n PHE 55 Cb 0.87 -3.55 0.00 0.00 0.35 0.00 0.00 39.48 37.15 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 -3.27 1.59 0.06 -4.13 0.28 -1.26 -4.82 120.64 109.09 1wyq n GLU 56 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.78 1wyq n GLU 56 Cb 0.56 -0.78 -0.14 0.00 1.43 0.00 0.00 31.44 32.50 1wyq n GLU 56 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wyq h SER 57 N 0.00 0.47 -0.68 -1.84 0.87 -2.03 -3.46 113.55 106.87 1wyq h SER 57 Ca 0.00 -0.71 -0.84 0.00 -1.23 0.00 0.00 61.79 59.01 1wyq h SER 57 Cb 0.57 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1wyq h SER 57 CO 0.00 1.61 0.88 0.18 -0.53 0.00 0.00 176.83 178.97 1wyq n LEU 58 N -3.49 1.06 -4.57 2.23 4.77 -1.26 -4.86 117.00 110.88 1wyq n LEU 58 Ca -0.21 1.02 -0.42 0.00 -0.03 0.00 0.00 56.01 56.37 1wyq n LEU 58 Cb 1.06 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1wyq n LEU 58 CO 0.50 -0.81 0.41 -0.54 -1.33 0.00 0.00 177.39 175.62 1wyq s LYS 59 N 3.92 3.67 0.30 3.23 3.01 -1.26 -4.93 119.74 127.67 1wyq s LYS 59 Ca 1.09 0.07 0.10 0.00 -1.01 0.00 0.00 55.97 56.22 1wyq s LYS 59 Cb -1.49 -3.82 0.91 0.00 -1.01 0.00 0.00 37.83 32.43 1wyq s LYS 59 CO 0.76 -0.77 1.37 1.17 0.51 0.00 0.00 175.35 178.40 1wyq n LYS 60 N 6.11 -0.06 -0.15 1.68 4.81 -1.26 -0.28 118.16 129.01 1wyq n LYS 60 Ca -0.01 1.25 -0.12 0.00 -0.87 0.00 0.00 58.31 58.57 1wyq n LYS 60 Cb 0.48 -2.12 -0.09 0.00 0.02 0.00 0.00 35.03 33.33 1wyq n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq s ASN 62 N -4.83 6.71 -0.16 0.00 2.47 0.61 -4.86 114.94 114.88 1wyq s ASN 62 Ca -0.12 0.62 0.15 0.00 0.42 0.00 0.00 52.86 53.93 1wyq s ASN 62 Cb 0.08 -2.53 -0.21 0.00 -1.45 0.00 0.00 41.25 37.14 1wyq s ASN 62 CO 0.54 -1.07 0.07 0.00 -3.72 0.00 0.00 177.10 172.92 1wyq n ALA 63 N 7.35 1.61 -0.13 1.71 0.00 -1.26 -4.13 120.51 125.66 1wyq n ALA 63 Ca 0.11 -1.11 -0.05 0.00 0.00 0.00 0.00 53.44 52.38 1wyq n ALA 63 Cb 0.48 -0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 -0.58 0.19 0.00 6.17 -1.84 0.60 115.15 119.70 1wyq h HIS 64 Ca -0.45 0.05 -0.01 0.00 0.71 0.00 0.00 60.37 60.67 1wyq h HIS 64 Cb 2.02 0.32 0.00 0.00 2.52 0.00 0.00 27.41 32.27 1wyq h HIS 64 CO 0.00 -0.31 -0.09 -0.92 0.71 0.00 0.00 177.93 177.32 1wyq h TYR 65 N -0.14 -0.24 -0.71 5.26 3.20 -1.93 -1.82 116.97 120.59 1wyq h TYR 65 Ca 0.20 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.27 1wyq h TYR 65 Cb 0.46 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1wyq h TYR 65 CO -0.47 0.13 0.51 -0.91 -1.64 0.00 0.00 178.16 175.78 1wyq h ASN 66 N -0.68 0.05 0.09 -2.11 2.35 -1.63 0.17 115.58 113.82 1wyq h ASN 66 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1wyq h ASN 66 Cb 0.48 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1wyq h ASN 66 CO 0.04 0.02 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.74 1wyq h LEU 67 N 0.05 -0.10 -1.53 1.61 3.38 0.32 -3.20 115.31 115.85 1wyq h LEU 67 Ca 0.34 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.56 1wyq h LEU 67 Cb 1.29 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1wyq h LEU 67 CO -0.02 0.07 0.66 0.06 0.09 0.00 0.00 178.44 179.30 1wyq h GLN 68 N -0.40 0.32 0.44 1.13 3.07 -1.09 -0.01 115.11 118.57 1wyq h GLN 68 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1wyq h GLN 68 Cb 0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 27.48 27.55 1wyq h GLN 68 CO 0.02 0.21 -0.49 -0.97 0.09 0.00 0.00 178.83 177.69 1wyq h ASN 69 N 0.33 -1.35 -0.40 0.06 -1.24 -0.77 0.31 115.58 112.53 1wyq h ASN 69 Ca 0.53 0.11 -0.06 0.00 0.71 0.00 0.00 56.30 57.59 1wyq h ASN 69 Cb 1.46 0.45 -0.01 0.00 0.73 0.00 0.00 38.32 40.95 1wyq h ASN 69 CO -0.20 -0.64 0.00 0.00 -1.29 0.00 0.00 177.43 175.31 1wyq h ALA 70 N -0.75 0.53 -0.13 1.57 0.00 -1.31 0.52 119.26 119.70 1wyq h ALA 70 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1wyq h ALA 70 Cb 0.84 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1wyq h ALA 70 CO -0.09 0.31 -0.15 0.74 0.00 0.00 0.00 179.25 180.06 1wyq h PHE 71 N 0.53 -0.37 0.05 0.00 0.04 -0.86 -2.06 116.94 114.25 1wyq h PHE 71 Ca 0.11 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1wyq h PHE 71 Cb 0.47 0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1wyq h PHE 71 CO 0.04 -0.22 -0.03 -2.95 -0.60 0.00 0.00 178.31 174.56 1wyq h ASN 72 N -0.18 -0.06 -0.88 2.17 7.08 -0.35 -2.51 115.58 120.85 1wyq h ASN 72 Ca 0.09 -0.59 0.17 0.00 -3.08 0.00 0.00 56.30 52.89 1wyq h ASN 72 Cb 0.32 0.02 -0.16 0.00 -2.08 0.00 0.00 38.32 36.41 1wyq h ASN 72 CO -0.24 0.62 -0.24 0.18 -2.08 0.00 0.00 177.43 175.68 1wyq n LEU 73 N -4.79 -0.35 -0.01 6.14 4.77 0.18 -0.33 117.00 122.60 1wyq n LEU 73 Ca -0.08 1.51 -0.13 0.00 -0.03 0.00 0.00 56.01 57.28 1wyq n LEU 73 Cb 0.32 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1wyq n LEU 73 CO 0.29 -1.44 0.57 0.00 -1.33 0.00 0.00 177.39 175.49 1wyq h ALA 74 N 1.68 -0.03 0.00 -1.18 0.00 -1.46 0.25 119.26 118.52 1wyq h ALA 74 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wyq h ALA 74 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wyq h ALA 74 CO -0.90 -0.23 0.42 1.49 0.00 0.00 0.00 179.25 180.04 1wyq h GLU 75 N -0.61 0.00 0.00 0.00 4.22 -0.20 0.24 114.58 118.23 1wyq h GLU 75 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 1wyq h GLU 75 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1wyq h GLU 75 CO 0.00 0.00 -1.01 1.17 -2.18 0.00 0.00 179.01 177.00 1wyq n LYS 76 N -2.46 0.40 0.00 1.92 4.81 0.30 -4.08 118.16 119.04 1wyq n LYS 76 Ca -0.01 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1wyq n LYS 76 Cb 0.45 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.31 1wyq n LYS 76 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1wyq n GLU 77 N -4.15 0.00 0.09 1.64 -0.58 0.87 -3.97 120.64 114.54 1wyq n GLU 77 Ca -0.16 0.48 -0.12 0.00 -0.42 0.00 0.00 57.16 56.94 1wyq n GLU 77 Cb 0.46 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 29.92 1wyq n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wyq h LEU 78 N 0.00 -0.44 0.00 -4.62 3.38 -1.16 -3.48 115.31 109.00 1wyq h LEU 78 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wyq h LEU 78 Cb 0.00 0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1wyq h LEU 78 CO 0.00 -0.23 0.00 0.61 0.09 0.00 0.00 178.44 178.91 1wyq n GLY 79 N -1.29 1.76 3.94 0.83 0.00 0.65 -5.02 105.19 106.07 1wyq n GLY 79 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.32 -0.43 0.99 1.43 -1.23 -4.97 118.68 117.79 1wyq s LEU 80 Ca 0.00 0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 1wyq s LEU 80 Cb 0.00 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 43.09 1wyq s LEU 80 CO 0.00 -1.04 0.32 -0.89 0.23 0.00 0.00 176.35 174.97 1wyq s THR 81 N -2.82 5.00 -0.67 5.49 2.01 -1.26 -4.30 115.64 119.08 1wyq s THR 81 Ca 0.54 -0.96 -0.33 0.00 0.31 0.00 0.00 61.69 61.24 1wyq s THR 81 Cb -0.10 -3.91 -0.16 0.00 0.01 0.00 0.00 72.50 68.33 1wyq s THR 81 CO 0.41 -0.44 2.44 0.29 -0.69 0.00 0.00 174.62 176.63 1wyq n LYS 82 N 5.12 0.43 0.03 4.92 5.02 -1.26 -4.77 118.16 127.65 1wyq n LYS 82 Ca -0.12 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 1wyq n LYS 82 Cb 0.45 -2.07 -0.14 0.00 -0.02 0.00 0.00 35.03 33.24 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 12.98 0.42 0.00 -0.35 3.38 -1.96 -3.48 115.31 126.30 1wyq h LEU 83 Ca -0.14 -0.78 -0.29 0.00 0.09 0.00 0.00 57.88 56.76 1wyq h LEU 83 Cb 1.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1wyq h LEU 83 CO 1.21 1.68 -0.12 0.18 0.09 0.00 0.00 178.44 181.48 1wyq n LEU 84 N -3.46 0.00 -4.08 1.67 4.77 -1.26 -5.12 117.00 109.52 1wyq n LEU 84 Ca -0.26 -1.45 -0.11 0.00 -0.03 0.00 0.00 56.01 54.16 1wyq n LEU 84 Cb 1.06 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.98 1wyq n LEU 84 CO 0.47 -0.46 -0.39 -1.81 -1.33 0.00 0.00 177.39 173.87 1wyq s ASP 85 N -2.72 0.81 0.00 -1.43 1.11 -1.26 -5.02 116.67 108.16 1wyq s ASP 85 Ca 0.19 -0.70 0.16 0.00 0.18 0.00 0.00 52.55 52.38 1wyq s ASP 85 Cb -0.02 0.07 0.90 0.00 1.07 0.00 0.00 42.92 44.95 1wyq s ASP 85 CO 0.12 -0.32 1.36 -0.81 1.18 0.00 0.00 175.17 176.70 1wyq n PRO 86 N 0.98 0.44 -0.07 8.23 -0.04 -1.26 -2.16 135.00 141.12 1wyq n PRO 86 Ca -0.19 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 1wyq n PRO 86 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.05 0.31 -0.10 0.54 1.02 -1.26 -4.12 120.64 115.97 1wyq n GLU 87 Ca 0.11 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.25 1wyq n GLU 87 Cb 0.07 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.29 0.44 -0.26 1.62 5.19 -1.96 -3.15 116.42 118.02 1wyq h ASP 88 Ca -0.32 -0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 55.82 1wyq h ASP 88 Cb 1.37 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 1wyq h ASP 88 CO -0.14 0.55 -0.02 0.58 -3.12 0.00 0.00 179.24 177.09 1wyq h VAL 89 N 0.31 1.26 -0.41 -1.35 2.07 -1.71 -3.39 116.25 113.03 1wyq h VAL 89 Ca 0.09 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1wyq h VAL 89 Cb 0.27 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1wyq h VAL 89 CO -0.00 0.30 0.18 0.21 0.02 0.00 0.00 177.57 178.29 1wyq s ASN 90 N -6.01 4.13 0.17 0.57 2.47 -1.19 -4.59 114.94 110.50 1wyq s ASN 90 Ca -0.14 -0.20 -0.15 0.00 0.42 0.00 0.00 52.86 52.80 1wyq s ASN 90 Cb 0.08 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.34 1wyq s ASN 90 CO 0.76 -3.70 0.43 0.54 -3.72 0.00 0.00 177.10 171.40 1wyq s VAL 91 N 13.93 0.05 0.14 -5.21 0.11 -1.26 -4.89 120.40 123.27 1wyq s VAL 91 Ca 0.87 -0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 1wyq s VAL 91 Cb -0.11 -1.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1wyq s VAL 91 CO 0.07 -0.22 1.62 0.44 -3.33 0.00 0.00 175.10 173.68 1wyq h ASP 92 N 2.34 -0.87 -2.71 3.54 3.32 -1.97 -3.35 116.42 116.72 1wyq h ASP 92 Ca -0.30 0.14 -0.60 0.00 0.02 0.00 0.00 57.03 56.29 1wyq h ASP 92 Cb 1.25 0.38 -0.39 0.00 0.22 0.00 0.00 39.33 40.79 1wyq h ASP 92 CO 0.42 -0.32 -0.85 0.00 -1.72 0.00 0.00 179.24 176.77 1wyq s GLN 93 N -6.04 1.16 0.92 3.56 -2.07 -1.26 -4.74 119.66 111.19 1wyq s GLN 93 Ca -0.15 -2.16 -0.12 0.00 -1.82 0.00 0.00 55.36 51.11 1wyq s GLN 93 Cb 0.11 -1.88 0.14 0.00 -1.09 0.00 0.00 33.01 30.29 1wyq s GLN 93 CO 0.67 -1.30 1.09 -1.25 -1.32 0.00 0.00 175.29 173.17 1wyq s PRO 94 N 0.03 1.06 -0.59 9.60 0.04 -1.26 -4.96 135.00 138.93 1wyq s PRO 94 Ca 0.27 0.75 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 1wyq s PRO 94 Cb -0.07 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1wyq s PRO 94 CO -0.13 -2.36 1.14 0.34 0.04 0.00 0.00 177.00 176.04 1wyq s ASP 95 N -3.43 6.39 0.53 6.66 -1.08 -1.26 -4.79 116.67 119.69 1wyq s ASP 95 Ca 0.64 -0.08 0.24 0.00 -0.52 0.00 0.00 52.55 52.83 1wyq s ASP 95 Cb -0.18 -2.52 1.39 0.00 -1.46 0.00 0.00 42.92 40.15 1wyq s ASP 95 CO 0.57 -1.46 2.02 1.05 0.52 0.00 0.00 175.17 177.87 1wyq h GLU 96 N 9.54 0.00 -0.11 4.34 4.11 -1.93 0.12 114.58 130.65 1wyq h GLU 96 Ca -0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.07 1wyq h GLU 96 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1wyq h GLU 96 CO 1.17 0.00 -0.40 0.87 0.07 0.00 0.00 179.01 180.72 1wyq h LYS 97 N 0.00 0.23 0.00 1.06 1.79 -1.89 0.21 116.57 117.97 1wyq h LYS 97 Ca 0.22 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1wyq h LYS 97 Cb 0.88 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1wyq h LYS 97 CO -0.00 0.60 -0.03 0.43 -1.08 0.00 0.00 179.45 179.37 1wyq n SER 98 N -4.03 0.64 -0.12 0.86 7.64 0.37 -3.48 113.62 115.49 1wyq n SER 98 Ca -0.01 0.53 -0.24 0.00 1.01 0.00 0.00 58.87 60.15 1wyq n SER 98 Cb 0.47 -0.68 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 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 -2.09 1.53 -0.08 0.44 5.41 -0.94 -4.07 119.36 119.56 1wyq n ILE 99 Ca 0.06 -0.45 0.22 0.00 1.00 0.00 0.00 62.75 63.58 1wyq n ILE 99 Cb 0.41 -1.71 0.67 0.00 -0.71 0.00 0.00 39.64 38.30 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 -0.55 0.69 -0.07 1.39 2.04 -0.71 0.97 117.51 121.26 1wyq h ILE 100 Ca -0.62 -0.03 -0.21 0.00 1.00 0.00 0.00 64.86 65.01 1wyq h ILE 100 Cb 1.73 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1wyq h ILE 100 CO -0.25 0.01 -0.82 0.74 0.00 0.00 0.00 178.15 177.83 1wyq h THR 101 N 0.07 1.34 0.11 -0.27 2.02 -1.75 -2.53 112.91 111.91 1wyq h THR 101 Ca 0.33 -2.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 1wyq h THR 101 Cb 1.20 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1wyq h THR 101 CO -0.03 0.66 -0.05 0.22 0.37 0.00 0.00 175.52 176.69 1wyq h TYR 102 N 0.35 -0.14 -0.08 3.16 3.20 -1.04 -3.18 116.97 119.25 1wyq h TYR 102 Ca -0.06 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1wyq h TYR 102 Cb 1.44 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 1wyq h TYR 102 CO 0.07 0.34 0.07 -0.24 -1.64 0.00 0.00 178.16 176.76 1wyq h VAL 103 N -0.73 0.74 -0.49 1.81 3.04 -1.16 -1.30 116.25 118.15 1wyq h VAL 103 Ca -0.02 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.72 1wyq h VAL 103 Cb 0.55 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 30.75 1wyq h VAL 103 CO 0.03 0.00 0.33 0.00 -1.01 0.00 0.00 177.57 176.91 1wyq h ALA 104 N 1.94 1.84 -0.16 3.17 0.00 -1.42 -1.09 119.26 123.52 1wyq h ALA 104 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wyq h ALA 104 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wyq h ALA 104 CO -0.00 0.09 -0.21 1.79 0.00 0.00 0.00 179.25 180.93 1wyq h THR 105 N 0.50 1.22 -0.27 0.00 1.35 -1.31 -1.38 112.91 113.03 1wyq h THR 105 Ca 0.21 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.98 1wyq h THR 105 Cb 0.20 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1wyq h THR 105 CO -0.05 0.32 -0.09 1.88 -0.25 0.00 0.00 175.52 177.32 1wyq h TYR 106 N 0.26 0.46 0.00 4.73 -1.99 -1.29 -0.36 116.97 118.77 1wyq h TYR 106 Ca 0.05 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1wyq h TYR 106 Cb 0.52 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.12 1wyq h TYR 106 CO 0.01 0.53 -0.05 -0.92 -0.00 0.00 0.00 178.16 177.72 1wyq h TYR 107 N 0.41 0.00 -0.75 4.88 3.20 -1.40 -3.03 116.97 120.28 1wyq h TYR 107 Ca 0.08 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.13 1wyq h TYR 107 Cb 0.42 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1wyq h TYR 107 CO 0.01 0.18 0.51 0.45 -1.64 0.00 0.00 178.16 177.67 1wyq h HIS 108 N -1.00 0.31 0.15 -3.82 3.86 -1.31 0.11 115.15 113.45 1wyq h HIS 108 Ca -0.01 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1wyq h HIS 108 Cb 0.21 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1wyq h HIS 108 CO 0.03 0.11 -0.07 -0.92 0.86 0.00 0.00 177.93 177.94 1wyq h TYR 109 N 0.26 -0.19 -0.81 2.45 3.20 -1.18 -3.01 116.97 117.69 1wyq h TYR 109 Ca 0.37 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.38 1wyq h TYR 109 Cb 1.06 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 39.30 1wyq h TYR 109 CO -0.00 -0.12 0.39 0.74 -1.64 0.00 0.00 178.16 177.53 1wyq h PHE 110 N -0.30 0.67 -0.71 -3.82 0.04 -1.38 -1.26 116.94 110.18 1wyq h PHE 110 Ca -0.02 0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.94 1wyq h PHE 110 Cb 0.16 -0.18 -0.12 0.00 2.20 0.00 0.00 35.95 38.01 1wyq h PHE 110 CO 0.11 0.14 0.01 0.66 -0.60 0.00 0.00 178.31 178.62 1wyq h SER 111 N 0.55 -0.32 -0.97 2.17 4.64 -0.86 -0.23 113.55 118.53 1wyq h SER 111 Ca 0.45 0.18 0.22 0.00 -0.47 0.00 0.00 61.79 62.17 1wyq h SER 111 Cb 0.65 0.32 -0.18 0.00 -0.31 0.00 0.00 62.40 62.87 1wyq h SER 111 CO -0.38 -0.16 -0.14 0.11 -0.87 0.00 0.00 176.83 175.39 1wyq h LYS 112 N 0.11 0.01 -6.76 4.77 1.57 -1.08 -3.40 116.57 111.78 1wyq h LYS 112 Ca 0.38 -0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.60 1wyq h LYS 112 Cb 0.66 -0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.08 1wyq h LYS 112 CO -0.62 0.00 0.46 -1.33 -0.57 0.00 0.00 179.45 177.39 1wyq n MET 113 N -5.56 1.96 -2.58 3.15 2.81 -0.10 -2.32 117.12 114.47 1wyq n MET 113 Ca 0.18 0.69 -0.11 0.00 -1.81 0.00 0.00 57.70 56.65 1wyq n MET 113 Cb 0.58 -2.31 0.02 0.00 -0.71 0.00 0.00 33.22 30.79 1wyq n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1wyq n LYS 114 N 0.32 -2.28 -3.71 0.03 4.81 -1.26 -5.00 118.16 111.07 1wyq n LYS 114 Ca 0.06 0.47 -0.06 0.00 -0.87 0.00 0.00 58.31 57.91 1wyq n LYS 114 Cb 0.38 -4.42 -0.02 0.00 0.02 0.00 0.00 35.03 30.99 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq s ALA 115 N -2.81 -1.54 -0.50 3.14 0.00 -0.98 -5.12 121.76 113.93 1wyq s ALA 115 Ca 0.13 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 1wyq s ALA 115 Cb -0.06 0.70 0.06 0.00 0.00 0.00 0.00 23.12 23.82 1wyq s ALA 115 CO 0.17 -0.96 0.64 -0.48 0.00 0.00 0.00 175.76 175.12 1wyq s LEU 116 N -2.85 4.91 0.25 0.00 2.34 -1.26 -5.01 118.68 117.06 1wyq s LEU 116 Ca 0.10 -0.87 0.03 0.00 0.06 0.00 0.00 54.13 53.45 1wyq s LEU 116 Cb -0.03 -2.47 -0.05 0.00 -0.56 0.00 0.00 46.19 43.08 1wyq s LEU 116 CO 0.00 -0.90 0.03 0.00 -1.06 0.00 0.00 176.35 174.43 1wyq s ALA 117 N 2.69 1.83 0.17 1.48 0.00 -1.26 -5.11 121.76 121.55 1wyq s ALA 117 Ca 0.16 -1.82 -0.34 0.00 0.00 0.00 0.00 51.96 49.97 1wyq s ALA 117 Cb -0.19 0.67 -0.14 0.00 0.00 0.00 0.00 23.12 23.46 1wyq s ALA 117 CO 0.12 -0.32 1.48 1.55 0.00 0.00 0.00 175.76 178.59 1wyq n VAL 118 N -0.45 0.30 -2.39 0.00 3.14 -1.26 -4.96 118.33 112.70 1wyq n VAL 118 Ca -0.03 -0.07 -0.32 0.00 -2.96 0.00 0.00 64.34 60.95 1wyq n VAL 118 Cb 0.65 -1.38 -0.03 0.00 -1.06 0.00 0.00 33.84 32.02 1wyq n VAL 118 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1wyq s GLU 119 N 0.43 3.87 0.00 1.45 -1.05 -1.26 -5.00 118.70 117.15 1wyq s GLU 119 Ca 0.76 0.85 0.00 0.00 -0.15 0.00 0.00 54.97 56.43 1wyq s GLU 119 Cb -0.72 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 1wyq s GLU 119 CO 0.43 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.77 1wyq n GLY 120 N -1.70 -0.34 3.47 -3.83 0.00 -1.26 -5.18 105.19 96.35 1wyq n GLY 120 Ca 0.06 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1wyq n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wyq s LYS 121 N 0.00 1.75 0.27 1.61 2.47 -1.26 -5.14 119.74 119.44 1wyq s LYS 121 Ca 0.00 -1.18 0.06 0.00 -1.56 0.00 0.00 55.97 53.29 1wyq s LYS 121 Cb 0.00 -2.09 -0.03 0.00 -1.46 0.00 0.00 37.83 34.26 1wyq s LYS 121 CO 0.00 0.48 0.32 0.45 0.16 0.00 0.00 175.35 176.76 1wyq s SER 122 N -2.03 5.90 -0.71 1.43 0.15 -1.26 -5.07 113.70 112.11 1wyq s SER 122 Ca 0.17 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 56.73 1wyq s SER 122 Cb -0.10 -1.52 0.25 0.00 -1.71 0.00 0.00 66.02 62.93 1wyq s SER 122 CO 0.09 -0.15 0.82 0.61 1.20 0.00 0.00 173.24 175.81 1wyq n GLY 123 N -1.37 4.77 0.00 9.45 0.00 -1.26 -4.87 105.19 111.92 1wyq n GLY 123 Ca -0.06 -2.74 0.07 0.00 0.00 0.00 0.00 46.02 43.28 1wyq n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyq n PRO 124 N 1.05 0.49 -1.27 1.61 -0.04 -1.26 -4.86 135.00 130.72 1wyq n PRO 124 Ca 0.28 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 63.22 1wyq n PRO 124 Cb 0.39 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1wyq n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyq n SER 125 N -0.94 0.85 -4.27 3.54 2.88 -1.26 -4.90 113.62 109.52 1wyq n SER 125 Ca 0.10 0.82 -0.34 0.00 -1.33 0.00 0.00 58.87 58.12 1wyq n SER 125 Cb 0.05 -0.71 -0.15 0.00 -0.75 0.00 0.00 64.21 62.65 1wyq n SER 125 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wyq s SER 126 N 3.25 3.92 0.00 -3.46 1.04 -1.26 -5.31 113.70 111.88 1wyq s SER 126 Ca 0.89 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1wyq s SER 126 Cb -1.21 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 63.27 1wyq s SER 126 CO 0.62 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.47