#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 2.04 0.09 1.61 0.01 -0.28 -4.94 113.70 112.22 1wyq s SER 2 Ca 0.00 -0.89 0.08 0.00 1.31 0.00 0.00 55.95 56.45 1wyq s SER 2 Cb 0.00 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 1wyq s SER 2 CO 0.00 -0.19 -0.21 -0.44 0.41 0.00 0.00 173.24 172.81 1wyq s SER 3 N -2.75 2.52 -1.02 2.44 0.01 -1.26 -4.00 113.70 109.63 1wyq s SER 3 Ca 0.13 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 1wyq s SER 3 Cb -0.03 -0.15 0.32 0.00 0.21 0.00 0.00 66.02 66.37 1wyq s SER 3 CO 0.03 0.08 1.64 0.61 0.41 0.00 0.00 173.24 176.01 1wyq n GLY 4 N 1.24 5.74 3.58 3.44 0.00 -1.26 -4.99 105.19 112.93 1wyq n GLY 4 Ca -0.19 -2.63 -0.41 0.00 0.00 0.00 0.00 46.02 42.79 1wyq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyq s SER 5 N -1.63 5.60 0.24 1.61 0.01 -1.26 -4.86 113.70 113.41 1wyq s SER 5 Ca 0.36 0.98 -0.04 0.00 1.31 0.00 0.00 55.95 58.56 1wyq s SER 5 Cb 0.14 -2.53 0.44 0.00 0.21 0.00 0.00 66.02 64.29 1wyq s SER 5 CO -0.04 -2.00 1.74 0.77 0.41 0.00 0.00 173.24 174.12 1wyq h SER 6 N 13.96 0.30 -3.60 2.44 4.64 -2.02 -3.35 113.55 125.92 1wyq h SER 6 Ca -0.31 0.10 -0.70 0.00 -0.47 0.00 0.00 61.79 60.41 1wyq h SER 6 Cb 1.17 0.07 -0.27 0.00 -0.31 0.00 0.00 62.40 63.06 1wyq h SER 6 CO 1.10 0.12 -0.55 -0.83 -0.87 0.00 0.00 176.83 175.80 1wyq s GLY 7 N -3.41 1.90 0.17 -0.77 0.00 -1.26 -4.99 107.32 98.96 1wyq s GLY 7 Ca -0.12 -1.83 -0.26 0.00 0.00 0.00 0.00 44.72 42.51 1wyq s GLY 7 CO 0.76 0.84 1.56 0.00 0.00 0.00 0.00 173.10 176.26 1wyq h ALA 8 N 8.32 -0.36 0.12 3.20 0.00 -2.01 0.25 119.26 128.78 1wyq h ALA 8 Ca -0.24 0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 1wyq h ALA 8 Cb 1.09 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1wyq h ALA 8 CO 0.65 -0.85 -1.83 -0.22 0.00 0.00 0.00 179.25 177.00 1wyq h LYS 9 N -0.20 0.25 -0.73 0.00 3.64 -1.95 -3.38 116.57 114.20 1wyq h LYS 9 Ca 0.18 -0.42 0.17 0.00 -1.27 0.00 0.00 60.65 59.30 1wyq h LYS 9 Cb 0.55 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.41 1wyq h LYS 9 CO -0.74 1.20 0.09 -0.44 -2.27 0.00 0.00 179.45 177.30 1wyq h ASP 10 N -0.09 -0.16 -0.95 4.20 3.32 -1.93 0.16 116.42 120.97 1wyq h ASP 10 Ca -0.40 0.17 0.23 0.00 0.02 0.00 0.00 57.03 57.06 1wyq h ASP 10 Cb 1.93 0.27 -0.12 0.00 0.22 0.00 0.00 39.33 41.62 1wyq h ASP 10 CO 0.06 -0.11 0.49 0.00 -1.72 0.00 0.00 179.24 177.96 1wyq h ALA 11 N 1.65 1.62 0.42 3.45 0.00 -0.67 -1.47 119.26 124.26 1wyq h ALA 11 Ca 0.41 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1wyq h ALA 11 Cb 0.72 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wyq h ALA 11 CO -0.58 -0.31 -0.20 1.25 0.00 0.00 0.00 179.25 179.41 1wyq h LEU 12 N 0.49 -0.48 -0.96 0.00 5.85 -0.90 -2.61 115.31 116.69 1wyq h LEU 12 Ca 0.60 0.02 0.33 0.00 0.84 0.00 0.00 57.88 59.67 1wyq h LEU 12 Cb 1.15 0.12 -0.18 0.00 0.37 0.00 0.00 40.66 42.13 1wyq h LEU 12 CO -0.50 -0.20 0.26 -0.11 -0.34 0.00 0.00 178.44 177.55 1wyq n LEU 13 N -4.31 0.11 -0.14 2.25 7.94 -0.95 0.14 117.00 122.03 1wyq n LEU 13 Ca -0.07 1.62 -0.09 0.00 -1.11 0.00 0.00 56.01 56.36 1wyq n LEU 13 Cb 0.22 -0.69 -0.01 0.00 0.53 0.00 0.00 43.42 43.48 1wyq n LEU 13 CO 0.17 -1.72 0.89 0.25 -1.11 0.00 0.00 177.39 175.87 1wyq h LEU 14 N 0.00 0.60 0.12 -1.96 5.85 -1.29 -2.34 115.31 116.28 1wyq h LEU 14 Ca 0.70 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 59.22 1wyq h LEU 14 Cb 1.67 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 1wyq h LEU 14 CO -0.83 0.64 -0.34 -0.25 -0.34 0.00 0.00 178.44 177.33 1wyq h TRP 15 N 0.52 -0.97 -0.68 1.25 7.01 0.16 0.40 115.95 123.64 1wyq h TRP 15 Ca 0.13 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.29 1wyq h TRP 15 Cb 0.26 0.41 -0.10 0.00 -2.10 0.00 0.00 29.16 27.63 1wyq h TRP 15 CO 0.01 -0.39 0.15 0.00 -2.79 0.00 0.00 178.44 175.42 1wyq h GLN 17 N 0.27 1.05 -0.30 0.00 4.20 -0.90 0.41 115.11 119.83 1wyq h GLN 17 Ca 0.37 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1wyq h GLN 17 Cb 0.59 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1wyq h GLN 17 CO -0.46 0.69 0.18 0.52 -0.67 0.00 0.00 178.83 179.09 1wyq h MET 18 N 1.08 0.40 0.36 1.46 2.86 0.13 0.26 114.93 121.48 1wyq h MET 18 Ca 0.45 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.04 1wyq h MET 18 Cb 0.30 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1wyq h MET 18 CO -0.21 0.31 -0.17 0.87 1.06 0.00 0.00 176.91 178.76 1wyq h LYS 19 N 0.39 -0.47 -0.95 1.72 1.79 -0.84 -3.28 116.57 114.93 1wyq h LYS 19 Ca 0.11 0.03 0.22 0.00 -2.18 0.00 0.00 60.65 58.82 1wyq h LYS 19 Cb 0.00 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 30.68 1wyq h LYS 19 CO -0.02 -0.31 0.62 1.79 -1.08 0.00 0.00 179.45 180.45 1wyq h THR 20 N -1.04 0.65 -0.76 -0.16 1.35 -0.27 -2.25 112.91 110.42 1wyq h THR 20 Ca -0.05 -0.15 0.14 0.00 -0.55 0.00 0.00 66.41 65.80 1wyq h THR 20 Cb 0.37 0.16 -0.14 0.00 -1.73 0.00 0.00 68.15 66.82 1wyq h THR 20 CO 0.08 0.08 -0.22 0.00 -0.25 0.00 0.00 175.52 175.21 1wyq n ALA 21 N -2.49 0.10 -0.27 6.62 0.00 0.92 0.60 120.51 125.98 1wyq n ALA 21 Ca 0.21 0.81 0.14 0.00 0.00 0.00 0.00 53.44 54.59 1wyq n ALA 21 Cb 0.72 -0.45 0.26 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.44 -1.02 3.71 0.00 0.00 -0.85 -4.06 105.19 101.53 1wyq n GLY 22 Ca 0.11 0.76 -0.39 0.00 0.00 0.00 0.00 46.02 46.50 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 -5.66 3.52 0.18 1.61 1.51 0.20 -4.97 117.35 113.74 1wyq s TYR 23 Ca -0.10 1.05 -0.06 0.00 -1.01 0.00 0.00 57.07 56.95 1wyq s TYR 23 Cb 0.24 -2.69 0.08 0.00 -0.11 0.00 0.00 41.96 39.48 1wyq s TYR 23 CO 0.62 0.09 1.53 -1.00 -1.11 0.00 0.00 175.55 175.68 1wyq h PRO 24 N 6.84 0.74 -0.31 -1.71 0.13 -1.83 -3.22 132.00 132.65 1wyq h PRO 24 Ca -0.40 -0.40 -0.06 0.00 -0.87 0.00 0.00 66.00 64.28 1wyq h PRO 24 Cb 1.18 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wyq h PRO 24 CO 0.76 1.02 -0.04 -0.91 -0.23 0.00 0.00 178.00 178.59 1wyq h ASN 25 N 0.60 0.57 -2.81 1.44 4.21 -1.93 -3.42 115.58 114.24 1wyq h ASN 25 Ca 0.05 -0.34 -0.55 0.00 1.21 0.00 0.00 56.30 56.67 1wyq h ASN 25 Cb 0.97 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 1wyq h ASN 25 CO 0.09 0.77 0.93 -0.69 -1.29 0.00 0.00 177.43 177.24 1wyq s VAL 26 N -4.86 3.73 -0.16 2.81 1.01 -1.22 -5.00 120.40 116.72 1wyq s VAL 26 Ca -0.13 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1wyq s VAL 26 Cb 0.08 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1wyq s VAL 26 CO 0.77 -0.04 0.05 0.20 0.00 0.00 0.00 175.10 176.08 1wyq s ASN 27 N 2.34 2.41 -1.22 3.32 0.01 -1.26 -4.66 114.94 115.87 1wyq s ASN 27 Ca 0.66 -0.58 -0.10 0.00 -0.71 0.00 0.00 52.86 52.12 1wyq s ASN 27 Cb -0.31 -0.42 0.19 0.00 0.41 0.00 0.00 41.25 41.12 1wyq s ASN 27 CO 0.26 -0.30 1.63 0.52 -1.51 0.00 0.00 177.10 177.69 1wyq n VAL 28 N 5.16 4.46 0.85 1.60 0.31 -1.26 -4.70 118.33 124.75 1wyq n VAL 28 Ca -0.08 -4.77 0.13 0.00 -0.01 0.00 0.00 64.34 59.61 1wyq n VAL 28 Cb 0.48 -2.38 0.40 0.00 -0.91 0.00 0.00 33.84 31.44 1wyq n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wyq n HIS 29 N 4.03 0.28 -3.87 3.52 1.44 -1.26 -4.82 115.22 114.54 1wyq n HIS 29 Ca 0.36 0.08 -0.01 0.00 -2.01 0.00 0.00 57.72 56.14 1wyq n HIS 29 Cb 0.38 -0.55 0.01 0.00 0.12 0.00 0.00 29.99 29.96 1wyq n HIS 29 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1wyq s ASN 30 N -3.52 -0.02 -0.37 4.39 4.22 -1.26 -5.03 114.94 113.35 1wyq s ASN 30 Ca 0.11 -0.48 0.07 0.00 -2.14 0.00 0.00 52.86 50.42 1wyq s ASN 30 Cb 0.16 0.38 0.64 0.00 1.28 0.00 0.00 41.25 43.72 1wyq s ASN 30 CO 0.62 -0.75 1.76 0.49 -2.04 0.00 0.00 177.10 177.19 1wyq n PHE 31 N -0.70 2.36 0.00 1.54 3.72 -1.26 -4.17 117.46 118.94 1wyq n PHE 31 Ca -0.02 -1.61 0.00 0.00 -0.05 0.00 0.00 57.45 55.77 1wyq n PHE 31 Cb 0.60 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 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 -0.90 0.00 -0.24 4.37 -2.24 -1.26 -3.80 114.28 110.22 1wyq n THR 32 Ca 0.48 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1wyq n THR 32 Cb 1.42 -0.82 0.08 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.36 2.21 -0.01 4.28 -2.24 -1.26 -3.56 114.28 111.33 1wyq n THR 33 Ca 0.00 -1.07 -0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1wyq n THR 33 Cb 0.00 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.18 4.33 -0.07 3.42 2.88 -1.26 -4.68 113.62 118.06 1wyq n SER 34 Ca 0.29 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.84 1wyq n SER 34 Cb 0.98 0.79 0.02 0.00 -0.75 0.00 0.00 64.21 65.25 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 -1.90 0.05 -0.17 0.66 7.02 -1.24 -4.08 117.44 117.77 1wyq n TRP 35 Ca -0.03 -0.42 -0.09 0.00 -1.02 0.00 0.00 57.50 55.95 1wyq n TRP 35 Cb 0.38 -0.04 0.01 0.00 -2.42 0.00 0.00 31.31 29.24 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 0.24 0.78 0.14 -0.99 1.12 -1.83 -3.29 114.38 110.55 1wyq h ARG 36 Ca 0.00 -0.17 -0.01 0.00 -1.11 0.00 0.00 59.98 58.70 1wyq h ARG 36 Cb 0.45 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1wyq h ARG 36 CO 0.00 0.73 -0.07 0.22 -3.11 0.00 0.00 179.97 177.74 1wyq h ASP 37 N 0.68 -0.16 0.00 -3.80 1.82 -1.90 -3.32 116.42 109.73 1wyq h ASP 37 Ca 0.16 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1wyq h ASP 37 Cb 0.28 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1wyq h ASP 37 CO -0.00 0.41 0.00 0.61 -1.61 0.00 0.00 179.24 178.64 1wyq n GLY 38 N 1.09 4.09 0.28 -0.78 0.00 -1.24 -4.07 105.19 104.57 1wyq n GLY 38 Ca -0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.52 -0.36 0.99 4.77 -1.26 0.15 117.00 120.76 1wyq n LEU 39 Ca 0.00 1.24 -0.07 0.00 -0.03 0.00 0.00 56.01 57.15 1wyq n LEU 39 Cb 0.00 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1wyq n LEU 39 CO 0.00 -1.09 0.45 0.00 -1.33 0.00 0.00 177.39 175.41 1wyq n ALA 40 N -3.59 -0.44 -0.27 -1.18 0.00 -1.26 0.66 120.51 114.43 1wyq n ALA 40 Ca 0.06 0.78 -0.05 0.00 0.00 0.00 0.00 53.44 54.23 1wyq n ALA 40 Cb 0.26 -0.19 0.06 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 0.95 0.00 0.00 0.04 -0.61 -0.14 116.94 117.18 1wyq h PHE 41 Ca 0.18 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1wyq h PHE 41 Cb 0.40 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1wyq h PHE 41 CO -0.87 0.61 0.00 0.09 -0.60 0.00 0.00 178.31 177.54 1wyq n ASN 42 N -4.55 0.00 -0.13 2.17 3.02 0.21 -2.91 115.26 113.07 1wyq n ASN 42 Ca 0.07 -0.79 -0.21 0.00 -0.03 0.00 0.00 54.58 53.62 1wyq n ASN 42 Cb 0.03 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.89 1.37 0.01 5.41 0.00 0.11 -3.76 120.51 122.77 1wyq n ALA 43 Ca 0.12 -1.10 -0.11 0.00 0.00 0.00 0.00 53.44 52.35 1wyq n ALA 43 Cb 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.26 1.04 0.63 0.00 2.04 -1.34 -2.48 117.51 117.14 1wyq h ILE 44 Ca -0.61 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1wyq h ILE 44 Cb 1.83 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1wyq h ILE 44 CO -0.17 0.03 -0.30 0.58 0.00 0.00 0.00 178.15 178.29 1wyq h VAL 45 N 0.06 0.00 -0.90 1.67 2.07 -1.79 -3.06 116.25 114.29 1wyq h VAL 45 Ca 0.02 -0.21 0.32 0.00 0.82 0.00 0.00 66.70 67.65 1wyq h VAL 45 Cb 0.02 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.63 1wyq h VAL 45 CO -0.00 0.00 0.27 1.57 0.02 0.00 0.00 177.57 179.42 1wyq n HIS 46 N -4.86 0.83 -0.08 1.57 -0.00 -1.23 0.14 115.22 111.58 1wyq n HIS 46 Ca -0.11 1.08 -0.08 0.00 -0.00 0.00 0.00 57.72 58.61 1wyq n HIS 46 Cb 0.33 -1.33 -0.01 0.00 -0.00 0.00 0.00 29.99 28.98 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 0.29 0.17 1.57 1.63 -1.38 -0.99 116.57 117.86 1wyq h LYS 47 Ca 0.66 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.44 1wyq h LYS 47 Cb 1.60 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1wyq h LYS 47 CO -0.77 0.19 -0.08 0.45 -3.45 0.00 0.00 179.45 175.79 1wyq h HIS 48 N 0.30 -0.21 -3.23 1.91 3.86 0.13 -3.41 115.15 114.50 1wyq h HIS 48 Ca 0.13 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.70 1wyq h HIS 48 Cb 0.05 0.07 -0.41 0.00 1.06 0.00 0.00 27.41 28.18 1wyq h HIS 48 CO -0.10 0.19 -0.64 1.03 0.86 0.00 0.00 177.93 179.26 1wyq s ARG 49 N -3.09 1.97 0.00 2.45 1.81 0.13 -4.93 118.95 117.29 1wyq s ARG 49 Ca -0.11 -2.70 0.10 0.00 -1.72 0.00 0.00 55.73 51.30 1wyq s ARG 49 Cb 0.00 -3.16 0.60 0.00 -0.45 0.00 0.00 34.95 31.94 1wyq s ARG 49 CO 0.40 -1.16 1.04 -0.35 -0.68 0.00 0.00 175.30 174.54 1wyq n PRO 50 N 2.89 0.49 -0.08 3.54 -0.04 -0.38 -2.86 135.00 138.56 1wyq n PRO 50 Ca 0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 1wyq n PRO 50 Cb 0.33 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.82 1.96 -0.12 3.54 8.00 -1.26 -4.53 116.55 123.32 1wyq n ASP 51 Ca 0.07 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.84 1wyq n ASP 51 Cb 0.03 -0.87 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 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 -0.64 -0.82 -9.36 0.64 3.38 -1.93 -3.43 115.31 103.16 1wyq h LEU 52 Ca -0.45 0.12 -0.60 0.00 0.09 0.00 0.00 57.88 57.04 1wyq h LEU 52 Cb 1.60 0.35 -0.14 0.00 0.09 0.00 0.00 40.66 42.56 1wyq h LEU 52 CO -0.16 -0.12 -0.69 -1.48 0.09 0.00 0.00 178.44 176.09 1wyq s LEU 53 N -7.63 2.68 -0.66 1.67 2.34 -1.26 -5.10 118.68 110.72 1wyq s LEU 53 Ca -0.05 -1.18 -0.03 0.00 0.06 0.00 0.00 54.13 52.93 1wyq s LEU 53 Cb 0.04 -0.95 0.17 0.00 -0.56 0.00 0.00 46.19 44.89 1wyq s LEU 53 CO 0.25 -0.21 0.48 -1.81 -1.06 0.00 0.00 176.35 174.00 1wyq s ASP 54 N -3.57 5.31 0.31 1.48 1.01 -1.26 -4.76 116.67 115.19 1wyq s ASP 54 Ca 0.32 -2.98 0.08 0.00 0.71 0.00 0.00 52.55 50.68 1wyq s ASP 54 Cb 0.02 -1.86 0.84 0.00 1.01 0.00 0.00 42.92 42.93 1wyq s ASP 54 CO 0.16 -0.34 1.71 0.15 0.21 0.00 0.00 175.17 177.05 1wyq h PHE 55 N 6.88 0.86 -0.31 4.23 3.57 -1.90 0.59 116.94 130.86 1wyq h PHE 55 Ca 0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1wyq h PHE 55 Cb 0.93 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1wyq h PHE 55 CO 0.72 0.00 0.15 0.93 -2.23 0.00 0.00 178.31 177.88 1wyq h GLU 56 N 0.49 0.42 -0.09 1.11 5.08 -1.98 -2.69 114.58 116.91 1wyq h GLU 56 Ca 0.62 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.85 1wyq h GLU 56 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wyq h GLU 56 CO -0.51 0.32 -0.28 1.03 -1.00 0.00 0.00 179.01 178.58 1wyq h SER 57 N 0.42 0.40 -2.47 1.42 0.87 -0.27 -3.45 113.55 110.47 1wyq h SER 57 Ca 0.11 -0.61 -0.47 0.00 -1.23 0.00 0.00 61.79 59.60 1wyq h SER 57 Cb 0.04 -0.12 0.23 0.00 -0.44 0.00 0.00 62.40 62.12 1wyq h SER 57 CO -0.02 0.93 -1.00 0.18 -0.53 0.00 0.00 176.83 176.40 1wyq n LEU 58 N -4.46 -2.03 -4.27 2.23 4.77 -0.71 -5.04 117.00 107.48 1wyq n LEU 58 Ca -0.08 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.69 1wyq n LEU 58 Cb 0.47 -0.99 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 1wyq n LEU 58 CO 0.41 -3.16 -0.25 -0.54 -1.33 0.00 0.00 177.39 172.52 1wyq s LYS 59 N -3.49 1.32 -0.07 3.23 1.02 -1.26 -5.00 119.74 115.49 1wyq s LYS 59 Ca 0.56 -1.71 -0.18 0.00 0.02 0.00 0.00 55.97 54.67 1wyq s LYS 59 Cb -0.13 -0.08 -0.13 0.00 -0.52 0.00 0.00 37.83 36.96 1wyq s LYS 59 CO 0.66 -0.32 0.69 0.87 -0.92 0.00 0.00 175.35 176.33 1wyq h LYS 60 N 2.48 -0.19 -1.00 1.68 6.56 -1.98 -3.32 116.57 120.80 1wyq h LYS 60 Ca -0.37 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.41 1wyq h LYS 60 Cb 1.25 0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 32.77 1wyq h LYS 60 CO 0.58 0.20 -0.29 0.00 -2.06 0.00 0.00 179.45 177.88 1wyq s ASN 62 N -5.29 6.35 0.08 0.00 0.02 -1.25 -4.83 114.94 110.01 1wyq s ASN 62 Ca -0.15 2.31 -0.01 0.00 -1.02 0.00 0.00 52.86 54.00 1wyq s ASN 62 Cb 0.25 -2.53 -0.00 0.00 0.02 0.00 0.00 41.25 38.99 1wyq s ASN 62 CO 0.76 -1.18 -0.02 0.00 0.02 0.00 0.00 177.10 176.68 1wyq n ALA 63 N 8.17 2.89 0.11 0.60 0.00 -1.26 -4.48 120.51 126.54 1wyq n ALA 63 Ca 0.21 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1wyq n ALA 63 Cb 0.43 0.21 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.05 -0.93 -0.44 0.00 -0.00 -1.82 0.23 115.15 112.14 1wyq h HIS 64 Ca 0.00 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.45 1wyq h HIS 64 Cb 0.05 0.40 -0.05 0.00 -0.00 0.00 0.00 27.41 27.80 1wyq h HIS 64 CO -0.02 -0.44 0.16 -0.92 -0.00 0.00 0.00 177.93 176.71 1wyq h TYR 65 N -0.56 0.29 -0.65 5.26 3.20 -1.91 -1.72 116.97 120.88 1wyq h TYR 65 Ca 0.03 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1wyq h TYR 65 Cb 0.60 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1wyq h TYR 65 CO -0.31 0.11 0.41 -0.91 -1.64 0.00 0.00 178.16 175.83 1wyq h ASN 66 N 0.34 0.69 0.25 -2.11 4.21 -1.68 -0.63 115.58 116.66 1wyq h ASN 66 Ca 0.20 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 1wyq h ASN 66 Cb 0.18 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1wyq h ASN 66 CO -0.20 0.49 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.21 1wyq h LEU 67 N 0.82 -0.39 -1.18 1.61 3.38 0.10 -2.46 115.31 117.20 1wyq h LEU 67 Ca 0.25 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.48 1wyq h LEU 67 Cb -0.03 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1wyq h LEU 67 CO -0.08 -0.24 0.63 0.06 0.09 0.00 0.00 178.44 178.90 1wyq h GLN 68 N -0.38 0.52 -0.03 1.13 3.07 -1.33 -1.06 115.11 117.03 1wyq h GLN 68 Ca -0.03 -0.03 0.04 0.00 0.09 0.00 0.00 58.65 58.71 1wyq h GLN 68 Cb 0.30 -0.12 -0.05 0.00 0.08 0.00 0.00 27.48 27.69 1wyq h GLN 68 CO 0.04 0.34 -0.34 -0.97 0.09 0.00 0.00 178.83 177.98 1wyq h ASN 69 N 0.53 -1.04 0.24 0.06 -1.24 -0.86 0.22 115.58 113.49 1wyq h ASN 69 Ca 0.60 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.74 1wyq h ASN 69 Cb 1.27 0.42 0.00 0.00 0.73 0.00 0.00 38.32 40.75 1wyq h ASN 69 CO -0.37 -0.40 -0.11 0.00 -1.29 0.00 0.00 177.43 175.26 1wyq h ALA 70 N 0.23 -0.32 -0.58 1.57 0.00 -0.76 0.58 119.26 119.98 1wyq h ALA 70 Ca 0.07 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1wyq h ALA 70 Cb 0.58 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1wyq h ALA 70 CO -0.30 -0.64 0.02 0.74 0.00 0.00 0.00 179.25 179.07 1wyq h PHE 71 N -0.39 0.00 0.41 0.00 0.04 -1.10 0.20 116.94 116.11 1wyq h PHE 71 Ca -0.03 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1wyq h PHE 71 Cb 0.29 0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1wyq h PHE 71 CO -0.04 -0.13 -0.20 -0.91 -0.60 0.00 0.00 178.31 176.43 1wyq h ASN 72 N 0.14 -0.47 -0.62 2.17 2.35 -0.41 0.42 115.58 119.16 1wyq h ASN 72 Ca 0.30 -0.10 0.13 0.00 -0.55 0.00 0.00 56.30 56.08 1wyq h ASN 72 Cb 0.47 0.12 -0.10 0.00 0.05 0.00 0.00 38.32 38.86 1wyq h ASN 72 CO -0.48 -0.14 0.00 -0.07 -1.65 0.00 0.00 177.43 175.10 1wyq h LEU 73 N -0.82 -0.27 -0.48 1.61 3.38 -0.43 0.38 115.31 118.68 1wyq h LEU 73 Ca -0.06 0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1wyq h LEU 73 Cb 0.54 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wyq h LEU 73 CO 0.09 -0.11 -0.60 0.00 0.09 0.00 0.00 178.44 177.91 1wyq h ALA 74 N 1.56 0.66 0.00 1.53 0.00 -0.59 0.35 119.26 122.77 1wyq h ALA 74 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wyq h ALA 74 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wyq h ALA 74 CO -0.53 0.70 0.00 1.49 0.00 0.00 0.00 179.25 180.91 1wyq h GLU 75 N 0.40 0.00 0.00 0.00 4.22 0.16 0.30 114.58 119.66 1wyq h GLU 75 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1wyq h GLU 75 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wyq h GLU 75 CO 0.11 0.00 -0.88 1.17 -2.18 0.00 0.00 179.01 177.23 1wyq n LYS 76 N -2.51 0.43 0.04 1.92 0.00 0.12 -4.01 118.16 114.14 1wyq n LYS 76 Ca 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 58.31 58.48 1wyq n LYS 76 Cb 0.26 -1.25 -0.01 0.00 0.00 0.00 0.00 35.03 34.03 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 -0.81 -0.09 0.02 1.64 4.39 -0.42 -3.33 114.58 115.98 1wyq h GLU 77 Ca -0.03 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wyq h GLU 77 Cb 0.84 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1wyq h GLU 77 CO -0.02 -0.06 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.69 1wyq h LEU 78 N -0.11 -0.02 0.00 1.33 3.38 -1.55 -3.48 115.31 114.87 1wyq h LEU 78 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wyq h LEU 78 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1wyq h LEU 78 CO 0.02 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1wyq n GLY 79 N -0.99 1.48 3.84 0.83 0.00 0.99 -5.02 105.19 106.32 1wyq n GLY 79 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 4.39 -0.50 0.99 1.43 -1.08 -4.97 118.68 118.95 1wyq s LEU 80 Ca 0.00 1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 1wyq s LEU 80 Cb 0.00 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 43.14 1wyq s LEU 80 CO 0.00 0.17 1.09 -0.89 0.23 0.00 0.00 176.35 176.95 1wyq s THR 81 N -1.35 4.24 -0.46 5.49 2.01 -1.26 -4.20 115.64 120.11 1wyq s THR 81 Ca 0.34 1.02 -0.34 0.00 0.31 0.00 0.00 61.69 63.02 1wyq s THR 81 Cb -0.16 -4.59 -0.13 0.00 0.01 0.00 0.00 72.50 67.63 1wyq s THR 81 CO 0.18 -1.04 2.28 0.29 -0.69 0.00 0.00 174.62 175.64 1wyq n LYS 82 N 7.78 0.84 -0.02 4.92 5.02 -1.26 -4.80 118.16 130.64 1wyq n LYS 82 Ca 0.10 0.19 -0.22 0.00 -2.02 0.00 0.00 58.31 56.36 1wyq n LYS 82 Cb 0.49 -2.37 -0.13 0.00 -0.02 0.00 0.00 35.03 32.99 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 12.89 0.31 0.00 -0.35 3.38 -1.99 -3.48 115.31 126.07 1wyq h LEU 83 Ca -0.22 -0.81 -0.26 0.00 0.09 0.00 0.00 57.88 56.67 1wyq h LEU 83 Cb 1.32 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.98 1wyq h LEU 83 CO 1.09 1.67 -0.06 0.18 0.09 0.00 0.00 178.44 181.41 1wyq n LEU 84 N -3.89 0.00 -4.22 1.67 4.77 -1.26 -5.14 117.00 108.92 1wyq n LEU 84 Ca -0.29 -1.35 -0.18 0.00 -0.03 0.00 0.00 56.01 54.16 1wyq n LEU 84 Cb 0.90 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 1wyq n LEU 84 CO 0.37 -0.58 -0.45 -1.81 -1.33 0.00 0.00 177.39 173.59 1wyq s ASP 85 N -2.86 1.89 0.00 -1.43 1.01 -1.26 -5.02 116.67 109.00 1wyq s ASP 85 Ca 0.29 -0.74 0.15 0.00 0.71 0.00 0.00 52.55 52.96 1wyq s ASP 85 Cb -0.02 -0.06 0.89 0.00 1.01 0.00 0.00 42.92 44.74 1wyq s ASP 85 CO 0.18 -0.12 1.31 -0.81 0.21 0.00 0.00 175.17 175.95 1wyq n PRO 86 N 0.82 0.49 -0.04 8.23 -0.04 -1.26 -2.51 135.00 140.68 1wyq n PRO 86 Ca -0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 1wyq n PRO 86 Cb 0.56 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1wyq n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wyq n GLU 87 N -0.98 1.44 -0.06 0.54 0.28 -1.26 -4.31 120.64 116.30 1wyq n GLU 87 Ca 0.11 0.03 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 1wyq n GLU 87 Cb 0.05 -1.18 -0.07 0.00 1.43 0.00 0.00 31.44 31.67 1wyq n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1wyq h ASP 88 N 0.00 0.36 -0.17 -1.84 3.32 -1.92 -3.26 116.42 112.90 1wyq h ASP 88 Ca -0.20 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.39 1wyq h ASP 88 Cb 1.38 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1wyq h ASP 88 CO -0.01 0.73 0.07 0.58 -1.72 0.00 0.00 179.24 178.88 1wyq h VAL 89 N -0.01 1.16 -0.38 -1.35 2.07 -1.77 -3.39 116.25 112.58 1wyq h VAL 89 Ca 0.03 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1wyq h VAL 89 Cb 0.61 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1wyq h VAL 89 CO 0.03 0.15 0.50 -3.20 0.02 0.00 0.00 177.57 175.06 1wyq n ASN 90 N -4.86 1.29 -3.48 0.57 2.85 -1.23 -4.60 115.26 105.80 1wyq n ASN 90 Ca -0.04 -1.24 -0.14 0.00 -0.11 0.00 0.00 54.58 53.05 1wyq n ASN 90 Cb 0.12 -1.46 -0.04 0.00 1.24 0.00 0.00 39.78 39.64 1wyq n ASN 90 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wyq s VAL 91 N 12.17 0.00 0.17 3.44 0.11 -1.26 -4.94 120.40 130.09 1wyq s VAL 91 Ca 1.01 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.85 1wyq s VAL 91 Cb -0.27 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.67 1wyq s VAL 91 CO 0.18 0.00 1.61 0.44 -3.33 0.00 0.00 175.10 174.00 1wyq h ASP 92 N 2.49 -0.95 -2.92 3.54 3.32 -1.97 -3.33 116.42 116.61 1wyq h ASP 92 Ca -0.29 0.19 -0.60 0.00 0.02 0.00 0.00 57.03 56.35 1wyq h ASP 92 Cb 1.22 0.47 -0.39 0.00 0.22 0.00 0.00 39.33 40.84 1wyq h ASP 92 CO 0.37 -0.29 -0.81 -1.10 -1.72 0.00 0.00 179.24 175.69 1wyq s GLN 93 N -6.05 1.09 0.00 3.56 -0.21 -1.26 -4.73 119.66 112.05 1wyq s GLN 93 Ca -0.15 -1.95 0.00 0.00 0.02 0.00 0.00 55.36 53.28 1wyq s GLN 93 Cb 0.15 -1.91 0.00 0.00 1.00 0.00 0.00 33.01 32.24 1wyq s GLN 93 CO 0.69 -1.24 0.00 -0.35 -2.12 0.00 0.00 175.29 172.27 1wyq n PRO 94 N 3.38 -1.01 -3.39 2.91 -0.04 -1.25 -4.97 135.00 130.63 1wyq n PRO 94 Ca 0.16 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.17 1wyq n PRO 94 Cb 0.38 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.82 1wyq n PRO 94 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyq s ASP 95 N -1.51 6.69 0.52 3.54 1.01 -1.26 -4.90 116.67 120.76 1wyq s ASP 95 Ca 0.00 -2.98 0.42 0.00 0.71 0.00 0.00 52.55 50.70 1wyq s ASP 95 Cb 0.00 -2.16 1.61 0.00 1.01 0.00 0.00 42.92 43.39 1wyq s ASP 95 CO 0.00 -0.46 1.62 1.05 0.21 0.00 0.00 175.17 177.59 1wyq h GLU 96 N 7.34 0.02 -0.39 8.23 4.11 -1.94 1.53 114.58 133.49 1wyq h GLU 96 Ca 0.12 -0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.39 1wyq h GLU 96 Cb 0.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1wyq h GLU 96 CO 0.81 0.02 -0.35 0.87 0.07 0.00 0.00 179.01 180.43 1wyq h LYS 97 N 0.03 0.89 0.00 1.06 1.79 -1.90 0.21 116.57 118.65 1wyq h LYS 97 Ca 0.85 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1wyq h LYS 97 Cb 3.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.83 1wyq h LYS 97 CO -0.15 1.10 0.00 0.77 -1.08 0.00 0.00 179.45 180.08 1wyq h SER 98 N 0.74 0.00 0.00 0.86 0.02 0.18 -3.25 113.55 112.10 1wyq h SER 98 Ca 0.07 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.71 1wyq h SER 98 Cb 0.93 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 1wyq h SER 98 CO 0.09 0.00 -1.77 -0.38 -1.14 0.00 0.00 176.83 173.63 1wyq n ILE 99 N -2.40 1.52 -0.32 3.27 5.41 -0.68 -4.17 119.36 122.00 1wyq n ILE 99 Ca 0.03 -0.16 0.05 0.00 1.00 0.00 0.00 62.75 63.67 1wyq n ILE 99 Cb 0.34 -2.01 0.13 0.00 -0.71 0.00 0.00 39.64 37.38 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 0.10 -0.36 1.39 2.04 -0.66 0.30 117.51 119.31 1wyq h ILE 100 Ca -0.46 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1wyq h ILE 100 Cb 1.37 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1wyq h ILE 100 CO -0.28 0.00 0.02 0.74 0.00 0.00 0.00 178.15 178.63 1wyq h THR 101 N 0.00 0.75 0.40 -0.27 2.02 -1.77 0.97 112.91 115.01 1wyq h THR 101 Ca 0.45 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 1wyq h THR 101 Cb 0.70 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1wyq h THR 101 CO -0.92 0.02 -0.26 0.22 0.37 0.00 0.00 175.52 174.95 1wyq h TYR 102 N 0.12 -0.71 -1.01 3.16 5.03 -0.61 -2.64 116.97 120.30 1wyq h TYR 102 Ca 0.18 -0.00 0.25 0.00 2.58 0.00 0.00 58.73 61.73 1wyq h TYR 102 Cb 0.24 0.26 -0.09 0.00 1.55 0.00 0.00 36.73 38.69 1wyq h TYR 102 CO -0.24 -0.39 0.66 -0.24 -1.32 0.00 0.00 178.16 176.63 1wyq h VAL 103 N -0.63 0.56 -1.11 1.81 3.04 -1.17 0.74 116.25 119.50 1wyq h VAL 103 Ca -0.05 -0.14 0.32 0.00 -1.01 0.00 0.00 66.70 65.82 1wyq h VAL 103 Cb 0.51 0.12 -0.11 0.00 -2.01 0.00 0.00 31.29 29.79 1wyq h VAL 103 CO 0.04 0.07 0.70 0.00 -1.01 0.00 0.00 177.57 177.37 1wyq h ALA 104 N 1.61 2.30 -0.69 3.17 0.00 -0.42 0.36 119.26 125.59 1wyq h ALA 104 Ca 0.57 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.57 1wyq h ALA 104 Cb 1.42 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1wyq h ALA 104 CO -0.27 -0.80 0.41 1.79 0.00 0.00 0.00 179.25 180.38 1wyq h THR 105 N 0.31 1.20 -0.91 0.00 1.35 -0.86 -1.66 112.91 112.35 1wyq h THR 105 Ca 0.68 -0.46 0.13 0.00 -0.55 0.00 0.00 66.41 66.21 1wyq h THR 105 Cb 1.81 0.26 -0.07 0.00 -1.73 0.00 0.00 68.15 68.42 1wyq h THR 105 CO -0.39 0.21 0.58 1.88 -0.25 0.00 0.00 175.52 177.55 1wyq h TYR 106 N 0.94 0.90 0.11 4.73 -1.99 -0.41 0.37 116.97 121.62 1wyq h TYR 106 Ca 0.25 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 61.00 1wyq h TYR 106 Cb -0.01 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.43 1wyq h TYR 106 CO -0.01 0.35 -0.05 -0.92 -0.00 0.00 0.00 178.16 177.53 1wyq h TYR 107 N 0.78 -0.13 0.63 4.88 3.20 -1.33 -2.97 116.97 122.02 1wyq h TYR 107 Ca 0.45 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.29 1wyq h TYR 107 Cb 0.62 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1wyq h TYR 107 CO -0.00 0.37 -0.43 0.45 -1.64 0.00 0.00 178.16 176.91 1wyq h HIS 108 N -0.83 -1.14 -0.16 -3.82 3.86 -0.93 0.26 115.15 112.39 1wyq h HIS 108 Ca -0.01 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1wyq h HIS 108 Cb 0.57 0.41 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 1wyq h HIS 108 CO 0.11 -0.63 -0.17 -0.92 0.86 0.00 0.00 177.93 177.18 1wyq h TYR 109 N -1.01 -0.54 -0.88 2.45 5.03 -0.42 0.26 116.97 121.86 1wyq h TYR 109 Ca -0.08 0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.38 1wyq h TYR 109 Cb 0.83 0.25 -0.08 0.00 1.55 0.00 0.00 36.73 39.28 1wyq h TYR 109 CO -0.13 -0.14 0.50 0.74 -1.32 0.00 0.00 178.16 177.80 1wyq h PHE 110 N -0.10 0.89 -0.30 -3.82 0.04 -1.53 -1.84 116.94 110.28 1wyq h PHE 110 Ca 0.03 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.89 1wyq h PHE 110 Cb 0.17 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 1wyq h PHE 110 CO -0.70 0.31 -0.03 1.03 -0.60 0.00 0.00 178.31 178.32 1wyq h SER 111 N 0.77 -0.18 -0.97 2.17 0.87 0.10 -1.90 113.55 114.42 1wyq h SER 111 Ca 0.45 0.08 0.31 0.00 -1.23 0.00 0.00 61.79 61.39 1wyq h SER 111 Cb 0.51 0.14 -0.17 0.00 -0.44 0.00 0.00 62.40 62.45 1wyq h SER 111 CO -0.30 -0.05 0.23 0.11 -0.53 0.00 0.00 176.83 176.29 1wyq h LYS 112 N 0.06 0.06 -6.39 2.24 1.79 0.34 -3.40 116.57 111.26 1wyq h LYS 112 Ca 0.15 -0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.11 1wyq h LYS 112 Cb 0.21 -0.01 0.24 0.00 -1.58 0.00 0.00 32.23 31.08 1wyq h LYS 112 CO -0.27 0.04 -1.54 -1.33 -1.08 0.00 0.00 179.45 175.27 1wyq n MET 113 N -5.36 -0.57 -1.15 3.15 2.81 -0.72 -4.42 117.12 110.87 1wyq n MET 113 Ca 0.27 -0.15 -0.35 0.00 -1.81 0.00 0.00 57.70 55.66 1wyq n MET 113 Cb 0.90 -1.42 -0.11 0.00 -0.71 0.00 0.00 33.22 31.87 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 0.10 0.00 -3.36 0.03 4.81 -1.26 -4.84 118.16 113.63 1wyq n LYS 114 Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1wyq n LYS 114 Cb 0.62 -1.18 -0.07 0.00 0.02 0.00 0.00 35.03 34.42 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 6.66 -1.33 0.60 3.14 0.00 -1.26 -5.09 121.76 124.47 1wyq s ALA 115 Ca 1.05 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 54.07 1wyq s ALA 115 Cb -1.03 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1wyq s ALA 115 CO 0.41 -1.20 1.02 -0.48 0.00 0.00 0.00 175.76 175.52 1wyq s LEU 116 N 2.62 3.36 0.02 0.00 0.05 -1.26 -4.92 118.68 118.55 1wyq s LEU 116 Ca 0.12 1.53 -0.28 0.00 0.05 0.00 0.00 54.13 55.55 1wyq s LEU 116 Cb -0.15 -4.49 0.10 0.00 -2.05 0.00 0.00 46.19 39.60 1wyq s LEU 116 CO -0.16 -0.90 1.24 0.00 -0.55 0.00 0.00 176.35 175.98 1wyq s ALA 117 N -2.92 -2.22 0.03 1.48 0.00 -1.26 -4.95 121.76 111.92 1wyq s ALA 117 Ca 0.57 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 1wyq s ALA 117 Cb -0.12 0.64 -0.06 0.00 0.00 0.00 0.00 23.12 23.58 1wyq s ALA 117 CO 0.46 -1.09 1.45 0.54 0.00 0.00 0.00 175.76 177.12 1wyq s VAL 118 N -2.27 3.52 0.89 0.00 0.11 -1.26 -3.57 120.40 117.82 1wyq s VAL 118 Ca 0.21 0.94 -0.12 0.00 -2.93 0.00 0.00 61.98 60.08 1wyq s VAL 118 Cb 0.02 -3.61 0.13 0.00 -1.53 0.00 0.00 36.38 31.38 1wyq s VAL 118 CO -0.01 0.01 1.13 -1.83 -3.33 0.00 0.00 175.10 171.06 1wyq s GLU 119 N 2.30 1.32 0.00 1.54 -1.05 -1.26 -1.05 118.70 120.49 1wyq s GLU 119 Ca 0.66 0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.84 1wyq s GLU 119 Cb -0.34 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1wyq s GLU 119 CO 0.28 -2.09 0.00 0.41 0.95 0.00 0.00 175.26 174.81 1wyq n GLY 120 N -2.18 -0.62 3.76 -3.83 0.00 -1.26 -4.70 105.19 96.36 1wyq n GLY 120 Ca 0.07 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1wyq n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wyq s LYS 121 N -0.32 2.76 0.04 1.61 -2.85 -1.26 -4.97 119.74 114.75 1wyq s LYS 121 Ca 0.00 1.50 -0.23 0.00 -1.00 0.00 0.00 55.97 56.24 1wyq s LYS 121 Cb 0.00 -1.94 -0.15 0.00 -2.06 0.00 0.00 37.83 33.68 1wyq s LYS 121 CO 0.00 -1.30 1.46 1.03 0.10 0.00 0.00 175.35 176.64 1wyq h SER 122 N 0.15 0.15 -2.87 0.03 0.87 -2.01 -3.47 113.55 106.40 1wyq h SER 122 Ca -0.47 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1wyq h SER 122 Cb 1.26 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1wyq h SER 122 CO 0.54 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.87 1wyq n GLY 123 N -0.26 2.18 1.99 5.77 0.00 -1.26 -5.08 105.19 108.53 1wyq n GLY 123 Ca -0.06 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 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 1.97 -2.25 -3.89 1.61 -0.04 -1.26 -5.10 135.00 126.03 1wyq n PRO 124 Ca 0.00 -0.99 -0.09 0.00 -0.04 0.00 0.00 63.50 62.37 1wyq n PRO 124 Cb 0.00 -0.93 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1wyq n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wyq s SER 125 N -3.18 0.03 0.14 3.54 0.01 -1.26 -5.18 113.70 107.81 1wyq s SER 125 Ca 0.40 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.93 1wyq s SER 125 Cb -0.04 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1wyq s SER 125 CO 0.31 -0.84 0.01 -0.94 0.41 0.00 0.00 173.24 172.18 1wyq s SER 126 N -2.92 0.90 0.00 2.44 1.04 -1.26 -5.36 113.70 108.54 1wyq s SER 126 Ca 0.12 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1wyq s SER 126 Cb 0.03 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wyq s SER 126 CO -0.05 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.18