#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 -1.36 -0.04 1.61 1.04 -1.26 -5.16 113.70 108.54 1wyq s SER 2 Ca 0.00 0.60 -0.09 0.00 0.48 0.00 0.00 55.95 56.93 1wyq s SER 2 Cb 0.00 2.04 0.02 0.00 0.10 0.00 0.00 66.02 68.17 1wyq s SER 2 CO 0.00 -0.25 0.22 -0.55 0.98 0.00 0.00 173.24 173.64 1wyq s SER 3 N 2.86 -0.14 0.04 7.02 0.15 -1.26 -5.12 113.70 117.26 1wyq s SER 3 Ca 0.16 0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.65 1wyq s SER 3 Cb -0.13 0.34 -0.08 0.00 -1.71 0.00 0.00 66.02 64.45 1wyq s SER 3 CO -0.22 -0.27 1.78 -0.83 1.20 0.00 0.00 173.24 174.90 1wyq s GLY 4 N -0.76 1.48 0.33 9.45 0.00 -1.26 -4.97 107.32 111.60 1wyq s GLY 4 Ca -0.08 1.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.86 1wyq s GLY 4 CO 0.02 3.14 0.42 -0.56 0.00 0.00 0.00 173.10 176.12 1wyq s SER 5 N 3.26 1.00 1.35 1.64 0.01 -1.26 -5.17 113.70 114.54 1wyq s SER 5 Ca 0.79 -1.52 -0.21 0.00 1.31 0.00 0.00 55.95 56.33 1wyq s SER 5 Cb -0.40 0.63 0.34 0.00 0.21 0.00 0.00 66.02 66.79 1wyq s SER 5 CO 0.35 -1.22 0.97 -0.94 0.41 0.00 0.00 173.24 172.81 1wyq s SER 6 N -3.25 -0.48 -0.11 2.44 1.04 -1.26 -4.81 113.70 107.27 1wyq s SER 6 Ca 0.33 0.89 -0.41 0.00 0.48 0.00 0.00 55.95 57.24 1wyq s SER 6 Cb 0.01 -1.28 -0.19 0.00 0.10 0.00 0.00 66.02 64.65 1wyq s SER 6 CO 0.21 -5.01 1.31 0.61 0.98 0.00 0.00 173.24 171.34 1wyq n GLY 7 N 0.88 0.12 3.72 7.32 0.00 -1.26 -4.93 105.19 111.04 1wyq n GLY 7 Ca 0.11 0.81 -0.11 0.00 0.00 0.00 0.00 46.02 46.84 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 1.10 -0.30 0.02 4.61 0.00 -1.26 -5.06 121.76 120.87 1wyq s ALA 8 Ca 0.93 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 1wyq s ALA 8 Cb -1.22 0.80 -0.22 0.00 0.00 0.00 0.00 23.12 22.49 1wyq s ALA 8 CO 0.60 -0.93 1.14 -0.22 0.00 0.00 0.00 175.76 176.36 1wyq h LYS 9 N 2.02 0.46 -0.24 0.00 3.64 -2.01 -3.31 116.57 117.14 1wyq h LYS 9 Ca -0.31 -0.46 0.05 0.00 -1.27 0.00 0.00 60.65 58.66 1wyq h LYS 9 Cb 1.25 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.13 1wyq h LYS 9 CO 0.40 1.10 -0.11 -0.44 -2.27 0.00 0.00 179.45 178.13 1wyq h ASP 10 N -0.00 -0.38 -0.96 4.20 3.32 -1.97 -1.16 116.42 119.47 1wyq h ASP 10 Ca -0.07 0.09 0.29 0.00 0.02 0.00 0.00 57.03 57.37 1wyq h ASP 10 Cb 1.29 0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.91 1wyq h ASP 10 CO 0.12 -0.15 0.43 0.00 -1.72 0.00 0.00 179.24 177.92 1wyq h ALA 11 N 1.12 1.69 0.30 3.45 0.00 -1.93 0.58 119.26 124.47 1wyq h ALA 11 Ca 0.13 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1wyq h ALA 11 Cb 0.27 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wyq h ALA 11 CO -0.29 -0.55 -0.14 1.25 0.00 0.00 0.00 179.25 179.52 1wyq h LEU 12 N 0.26 -0.34 -0.98 0.00 5.85 -1.38 -2.85 115.31 115.87 1wyq h LEU 12 Ca 0.67 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.74 1wyq h LEU 12 Cb 1.48 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 42.42 1wyq h LEU 12 CO -0.64 0.04 0.34 0.25 -0.34 0.00 0.00 178.44 178.09 1wyq h LEU 13 N -0.97 0.05 -0.58 2.25 5.85 -0.55 0.94 115.31 122.30 1wyq h LEU 13 Ca -0.04 0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1wyq h LEU 13 Cb 0.31 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1wyq h LEU 13 CO 0.07 -0.34 0.13 0.25 -0.34 0.00 0.00 178.44 178.20 1wyq h LEU 14 N 0.07 0.89 0.06 2.25 5.85 -0.98 -2.92 115.31 120.52 1wyq h LEU 14 Ca 0.72 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 59.21 1wyq h LEU 14 Cb 1.70 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1wyq h LEU 14 CO -0.78 0.90 -0.42 -0.25 -0.34 0.00 0.00 178.44 177.54 1wyq h TRP 15 N 0.83 -1.24 -0.76 1.25 7.01 0.12 -0.03 115.95 123.14 1wyq h TRP 15 Ca 0.18 0.04 0.17 0.00 2.11 0.00 0.00 58.89 61.38 1wyq h TRP 15 Cb 0.37 0.53 -0.11 0.00 -2.10 0.00 0.00 29.16 27.85 1wyq h TRP 15 CO 0.03 -0.47 0.19 0.00 -2.79 0.00 0.00 178.44 175.40 1wyq h GLN 17 N 0.27 1.11 -0.54 0.00 4.20 -1.16 0.25 115.11 119.24 1wyq h GLN 17 Ca 0.44 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 1wyq h GLN 17 Cb 0.76 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1wyq h GLN 17 CO -0.53 0.73 0.26 0.52 -0.67 0.00 0.00 178.83 179.15 1wyq h MET 18 N 1.14 0.78 0.35 1.46 2.86 0.13 -1.33 114.93 120.32 1wyq h MET 18 Ca 0.38 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1wyq h MET 18 Cb 0.06 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1wyq h MET 18 CO -0.12 0.64 -0.17 0.87 1.06 0.00 0.00 176.91 179.19 1wyq h LYS 19 N 0.73 -0.45 -1.09 1.72 1.79 -0.73 -3.23 116.57 115.31 1wyq h LYS 19 Ca 0.19 0.03 0.32 0.00 -2.18 0.00 0.00 60.65 59.01 1wyq h LYS 19 Cb 0.11 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1wyq h LYS 19 CO -0.02 -0.30 0.85 1.79 -1.08 0.00 0.00 179.45 180.69 1wyq h THR 20 N -1.11 0.35 -0.81 -0.16 1.35 -0.59 -3.43 112.91 108.51 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 0.36 0.39 0.03 0.00 -1.73 0.00 0.00 68.15 67.20 1wyq h THR 20 CO 0.08 0.00 0.18 0.00 -0.25 0.00 0.00 175.52 175.53 1wyq n ALA 21 N -2.67 -2.55 0.00 6.62 0.00 -0.50 -1.78 120.51 119.63 1wyq n ALA 21 Ca 0.23 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1wyq n ALA 21 Cb 1.22 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 1.75 3.29 3.68 0.00 0.00 -1.26 -5.06 105.19 107.59 1wyq n GLY 22 Ca 0.19 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.06 2.76 0.07 1.61 2.02 -0.73 -4.93 117.35 118.09 1wyq s TYR 23 Ca 0.00 0.77 -0.18 0.00 -0.37 0.00 0.00 57.07 57.29 1wyq s TYR 23 Cb 0.00 -3.68 -0.12 0.00 -0.40 0.00 0.00 41.96 37.77 1wyq s TYR 23 CO 0.00 -2.53 1.38 -1.00 -1.57 0.00 0.00 175.55 171.82 1wyq h PRO 24 N 8.04 0.52 -1.00 -1.71 0.13 -1.97 -3.07 132.00 132.95 1wyq h PRO 24 Ca -0.37 -0.28 -0.10 0.00 -0.87 0.00 0.00 66.00 64.38 1wyq h PRO 24 Cb 1.17 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1wyq h PRO 24 CO 0.91 0.86 0.13 0.09 -0.23 0.00 0.00 178.00 179.76 1wyq n ASN 25 N -4.41 3.13 -3.91 1.44 3.02 -1.26 -4.78 115.26 108.49 1wyq n ASN 25 Ca -0.05 -2.31 -0.17 0.00 -0.03 0.00 0.00 54.58 52.01 1wyq n ASN 25 Cb 0.42 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.87 1wyq n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wyq s VAL 26 N -0.66 0.40 -0.30 2.41 1.01 -1.16 -4.90 120.40 117.20 1wyq s VAL 26 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1wyq s VAL 26 Cb 0.09 -0.39 0.15 0.00 0.00 0.00 0.00 36.38 36.23 1wyq s VAL 26 CO 0.02 0.15 0.68 0.21 0.00 0.00 0.00 175.10 176.17 1wyq s ASN 27 N 0.39 -1.13 -1.06 3.32 3.84 -1.26 -4.85 114.94 114.19 1wyq s ASN 27 Ca -0.04 1.31 -0.02 0.00 0.21 0.00 0.00 52.86 54.31 1wyq s ASN 27 Cb -0.08 2.19 0.31 0.00 -0.55 0.00 0.00 41.25 43.12 1wyq s ASN 27 CO -0.00 -0.22 1.68 0.52 -2.79 0.00 0.00 177.10 176.30 1wyq n VAL 28 N 5.40 5.76 0.04 -5.21 0.31 -1.26 -4.73 118.33 118.64 1wyq n VAL 28 Ca -0.09 -5.94 -0.11 0.00 -0.01 0.00 0.00 64.34 58.19 1wyq n VAL 28 Cb 0.50 -1.80 0.01 0.00 -0.91 0.00 0.00 33.84 31.65 1wyq n VAL 28 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1wyq h HIS 29 N 4.77 0.65 -4.50 3.52 6.17 -1.95 -3.46 115.15 120.34 1wyq h HIS 29 Ca 0.39 -0.28 -0.28 0.00 0.71 0.00 0.00 60.37 60.90 1wyq h HIS 29 Cb 0.45 -0.10 -0.13 0.00 2.52 0.00 0.00 27.41 30.15 1wyq h HIS 29 CO 1.20 1.05 -0.47 0.54 0.71 0.00 0.00 177.93 180.96 1wyq s ASN 30 N -6.99 0.62 -0.41 3.26 6.03 -1.26 -5.05 114.94 111.14 1wyq s ASN 30 Ca -0.07 -1.45 0.05 0.00 -1.03 0.00 0.00 52.86 50.37 1wyq s ASN 30 Cb 0.10 0.49 0.69 0.00 -3.03 0.00 0.00 41.25 39.49 1wyq s ASN 30 CO 0.85 -0.99 1.89 0.49 -2.03 0.00 0.00 177.10 177.30 1wyq n PHE 31 N -0.41 2.91 0.00 1.54 3.72 -1.26 -4.21 117.46 119.74 1wyq n PHE 31 Ca 0.03 -1.67 0.00 0.00 -0.05 0.00 0.00 57.45 55.76 1wyq n PHE 31 Cb 0.64 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 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 -0.88 0.00 -0.15 4.37 -2.24 -1.26 -3.90 114.28 110.22 1wyq n THR 32 Ca 0.55 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.28 1wyq n THR 32 Cb 1.60 -0.43 0.02 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.12 1.90 0.00 4.28 -2.24 -1.26 -3.33 114.28 111.51 1wyq n THR 33 Ca 0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1wyq n THR 33 Cb 0.00 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 0.85 3.62 -0.33 3.42 2.88 -1.26 -4.75 113.62 118.05 1wyq n SER 34 Ca 0.09 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.66 1wyq n SER 34 Cb 0.57 0.42 0.09 0.00 -0.75 0.00 0.00 64.21 64.54 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 -1.50 0.25 -0.12 0.66 7.02 -1.21 -4.24 117.44 118.30 1wyq n TRP 35 Ca 0.00 -0.56 -0.10 0.00 -1.02 0.00 0.00 57.50 55.83 1wyq n TRP 35 Cb 0.30 -0.06 0.04 0.00 -2.42 0.00 0.00 31.31 29.17 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 0.95 0.88 0.01 -0.99 1.12 -1.81 -3.33 114.38 111.22 1wyq h ARG 36 Ca 0.00 -0.38 -0.00 0.00 -1.11 0.00 0.00 59.98 58.49 1wyq h ARG 36 Cb 0.69 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 1wyq h ARG 36 CO 0.01 1.02 -0.01 0.22 -3.11 0.00 0.00 179.97 178.11 1wyq h ASP 37 N 0.76 -0.01 0.00 -3.80 1.82 -1.91 -3.36 116.42 109.91 1wyq h ASP 37 Ca 0.10 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1wyq h ASP 37 Cb 0.79 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.80 1wyq h ASP 37 CO 0.07 0.56 0.00 0.61 -1.61 0.00 0.00 179.24 178.86 1wyq n GLY 38 N 1.70 4.05 0.29 -0.78 0.00 -1.25 -4.31 105.19 104.90 1wyq n GLY 38 Ca -0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.74 -0.23 0.99 4.77 -1.26 -0.51 117.00 120.02 1wyq n LEU 39 Ca 0.00 1.29 -0.06 0.00 -0.03 0.00 0.00 56.01 57.21 1wyq n LEU 39 Cb 0.00 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1wyq n LEU 39 CO 0.00 -1.04 0.34 0.00 -1.33 0.00 0.00 177.39 175.36 1wyq n ALA 40 N -3.40 -0.35 -0.22 -1.18 0.00 -1.26 0.11 120.51 114.22 1wyq n ALA 40 Ca 0.01 0.47 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 1wyq n ALA 40 Cb 0.18 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.73 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 0.59 0.00 0.00 0.04 -1.11 0.22 116.94 116.68 1wyq h PHE 41 Ca 0.09 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1wyq h PHE 41 Cb 0.22 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1wyq h PHE 41 CO -0.71 0.26 0.00 0.09 -0.60 0.00 0.00 178.31 177.35 1wyq n ASN 42 N -4.84 0.00 -0.10 2.17 3.02 0.31 -2.63 115.26 113.18 1wyq n ASN 42 Ca 0.08 -0.55 -0.19 0.00 -0.03 0.00 0.00 54.58 53.89 1wyq n ASN 42 Cb 0.19 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 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 -0.99 1.31 -0.01 5.41 0.00 0.12 -3.73 120.51 122.62 1wyq n ALA 43 Ca 0.13 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 1wyq n ALA 43 Cb 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1wyq n ALA 43 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wyq h ILE 44 N -0.01 0.96 0.61 0.00 2.04 -1.20 -2.67 117.51 117.24 1wyq h ILE 44 Ca -0.55 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1wyq h ILE 44 Cb 1.92 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1wyq h ILE 44 CO -0.06 0.02 -0.29 0.58 0.00 0.00 0.00 178.15 178.40 1wyq h VAL 45 N 0.09 0.00 -0.75 1.67 2.07 -1.78 -3.12 116.25 114.43 1wyq h VAL 45 Ca 0.06 -0.20 0.25 0.00 0.82 0.00 0.00 66.70 67.63 1wyq h VAL 45 Cb 0.04 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.67 1wyq h VAL 45 CO -0.07 0.00 0.18 1.57 0.02 0.00 0.00 177.57 179.27 1wyq n HIS 46 N -4.75 0.65 -0.13 1.57 -0.00 -1.22 0.22 115.22 111.55 1wyq n HIS 46 Ca -0.10 0.90 -0.06 0.00 -0.00 0.00 0.00 57.72 58.46 1wyq n HIS 46 Cb 0.32 -1.17 0.02 0.00 -0.00 0.00 0.00 29.99 29.17 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 0.43 0.03 1.57 1.63 -1.41 -0.03 116.57 118.79 1wyq h LYS 47 Ca 0.53 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.31 1wyq h LYS 47 Cb 1.26 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1wyq h LYS 47 CO -0.65 0.29 -0.01 0.45 -3.45 0.00 0.00 179.45 176.07 1wyq h HIS 48 N 0.45 -0.04 -2.95 1.91 3.86 0.27 -3.41 115.15 115.24 1wyq h HIS 48 Ca 0.18 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.78 1wyq h HIS 48 Cb 0.07 0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.15 1wyq h HIS 48 CO -0.09 0.64 -0.74 1.03 0.86 0.00 0.00 177.93 179.63 1wyq s ARG 49 N -3.16 1.44 0.00 2.45 1.81 0.11 -4.95 118.95 116.65 1wyq s ARG 49 Ca -0.16 -2.23 0.08 0.00 -1.72 0.00 0.00 55.73 51.70 1wyq s ARG 49 Cb -0.01 -2.43 0.45 0.00 -0.45 0.00 0.00 34.95 32.52 1wyq s ARG 49 CO 0.62 -1.20 0.90 -0.35 -0.68 0.00 0.00 175.30 174.59 1wyq n PRO 50 N 3.23 0.48 -0.05 3.54 -0.04 -0.03 -2.82 135.00 139.32 1wyq n PRO 50 Ca 0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1wyq n PRO 50 Cb 0.36 -1.25 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.75 2.00 -0.08 3.54 9.92 -1.26 -4.48 116.55 125.44 1wyq n ASP 51 Ca 0.06 0.31 -0.06 0.00 -0.53 0.00 0.00 54.79 54.56 1wyq n ASP 51 Cb 0.03 -0.91 -0.05 0.00 -0.64 0.00 0.00 41.12 39.55 1wyq n ASP 51 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1wyq h LEU 52 N -0.46 -0.86 -9.56 0.64 3.38 -1.92 -3.43 115.31 103.09 1wyq h LEU 52 Ca -0.40 0.12 -0.61 0.00 0.09 0.00 0.00 57.88 57.08 1wyq h LEU 52 Cb 1.68 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 42.65 1wyq h LEU 52 CO -0.07 -0.17 -0.62 -1.48 0.09 0.00 0.00 178.44 176.19 1wyq s LEU 53 N -7.69 2.77 -0.54 1.67 2.34 -1.26 -5.11 118.68 110.85 1wyq s LEU 53 Ca -0.06 -1.34 0.04 0.00 0.06 0.00 0.00 54.13 52.83 1wyq s LEU 53 Cb 0.04 -0.85 0.14 0.00 -0.56 0.00 0.00 46.19 44.96 1wyq s LEU 53 CO 0.28 -0.42 0.31 -1.81 -1.06 0.00 0.00 176.35 173.64 1wyq s ASP 54 N -3.66 4.27 0.33 1.48 1.11 -1.26 -4.75 116.67 114.18 1wyq s ASP 54 Ca 0.35 -3.14 0.08 0.00 0.18 0.00 0.00 52.55 50.02 1wyq s ASP 54 Cb 0.08 -1.53 0.94 0.00 1.07 0.00 0.00 42.92 43.49 1wyq s ASP 54 CO 0.17 -0.20 1.58 0.15 1.18 0.00 0.00 175.17 178.04 1wyq h PHE 55 N 6.28 0.24 -0.80 4.23 3.57 -1.92 1.50 116.94 130.04 1wyq h PHE 55 Ca -0.02 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1wyq h PHE 55 Cb 0.87 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1wyq h PHE 55 CO 0.54 -0.44 0.53 0.93 -2.23 0.00 0.00 178.31 177.64 1wyq h GLU 56 N 0.01 0.97 -0.24 1.11 5.08 -1.99 -2.48 114.58 117.04 1wyq h GLU 56 Ca 0.68 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.90 1wyq h GLU 56 Cb 1.55 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1wyq h GLU 56 CO -0.87 0.64 -0.18 1.03 -1.00 0.00 0.00 179.01 178.63 1wyq h SER 57 N 1.00 0.57 -2.04 1.42 0.87 0.17 -3.45 113.55 112.08 1wyq h SER 57 Ca 0.32 -0.45 -0.50 0.00 -1.23 0.00 0.00 61.79 59.93 1wyq h SER 57 Cb 0.02 -0.16 0.24 0.00 -0.44 0.00 0.00 62.40 62.06 1wyq h SER 57 CO -0.09 0.90 -1.65 0.18 -0.53 0.00 0.00 176.83 175.63 1wyq n LEU 58 N -4.42 -2.87 -4.11 2.23 4.77 -0.58 -5.02 117.00 107.00 1wyq n LEU 58 Ca -0.04 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1wyq n LEU 58 Cb 0.39 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1wyq n LEU 58 CO 0.42 -3.57 -0.40 -0.54 -1.33 0.00 0.00 177.39 171.97 1wyq s LYS 59 N -2.76 0.65 -0.36 3.23 1.02 -1.26 -5.02 119.74 115.25 1wyq s LYS 59 Ca 0.47 -0.99 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 1wyq s LYS 59 Cb -0.08 -0.26 0.19 0.00 -0.52 0.00 0.00 37.83 37.17 1wyq s LYS 59 CO 0.70 0.02 2.19 1.63 -0.92 0.00 0.00 175.35 178.96 1wyq n LYS 60 N 0.85 1.96 0.00 1.68 5.02 -1.26 -3.97 118.16 122.44 1wyq n LYS 60 Ca -0.18 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 1wyq n LYS 60 Cb 0.57 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 -4.18 6.18 -0.03 0.00 -0.87 -1.25 -4.90 114.94 109.88 1wyq s ASN 62 Ca 0.00 -1.23 -0.07 0.00 -1.57 0.00 0.00 52.86 49.99 1wyq s ASN 62 Cb 0.00 -2.22 -0.29 0.00 -0.02 0.00 0.00 41.25 38.71 1wyq s ASN 62 CO 0.00 -0.76 0.75 0.00 -2.57 0.00 0.00 177.10 174.52 1wyq h ALA 63 N 8.86 0.23 0.27 0.60 0.00 -1.88 -3.13 119.26 124.19 1wyq h ALA 63 Ca -0.28 -1.14 -0.01 0.00 0.00 0.00 0.00 54.91 53.47 1wyq h ALA 63 Cb 1.10 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1wyq h ALA 63 CO 0.93 1.09 -0.13 1.25 0.00 0.00 0.00 179.25 182.39 1wyq h HIS 64 N 0.09 -0.33 -0.79 0.00 6.17 -1.83 0.10 115.15 118.56 1wyq h HIS 64 Ca -0.30 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 60.79 1wyq h HIS 64 Cb 2.06 0.11 -0.04 0.00 2.52 0.00 0.00 27.41 32.06 1wyq h HIS 64 CO 0.08 -0.12 0.52 -0.92 0.71 0.00 0.00 177.93 178.20 1wyq h TYR 65 N -0.49 0.97 -0.59 5.26 3.20 -1.94 -0.87 116.97 122.52 1wyq h TYR 65 Ca -0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1wyq h TYR 65 Cb 0.36 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1wyq h TYR 65 CO -0.02 0.60 0.12 -0.91 -1.64 0.00 0.00 178.16 176.30 1wyq h ASN 66 N 1.04 0.92 0.00 -2.11 2.35 -1.47 -2.70 115.58 113.61 1wyq h ASN 66 Ca 0.30 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1wyq h ASN 66 Cb -0.08 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1wyq h ASN 66 CO -0.08 0.93 0.00 0.18 -1.65 0.00 0.00 177.43 176.81 1wyq n LEU 67 N -4.33 0.03 -0.67 1.61 4.77 0.34 -2.96 117.00 115.78 1wyq n LEU 67 Ca 0.03 0.86 0.51 0.00 -0.03 0.00 0.00 56.01 57.38 1wyq n LEU 67 Cb 0.26 -0.48 0.79 0.00 -2.33 0.00 0.00 43.42 41.66 1wyq n LEU 67 CO 0.41 -0.48 1.43 0.00 -1.33 0.00 0.00 177.39 177.43 1wyq n GLN 68 N -1.94 -0.01 0.45 3.23 10.64 -0.37 -0.20 117.38 129.17 1wyq n GLN 68 Ca 0.00 1.10 -0.19 0.00 -1.83 0.00 0.00 57.00 56.08 1wyq n GLN 68 Cb 0.00 -2.48 -0.09 0.00 -0.86 0.00 0.00 30.24 26.81 1wyq n GLN 68 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1wyq h ASN 69 N 0.00 -1.14 0.33 2.61 -1.24 -1.36 0.30 115.58 115.08 1wyq h ASN 69 Ca 0.92 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.94 1wyq h ASN 69 Cb 3.61 0.32 -0.01 0.00 0.73 0.00 0.00 38.32 42.97 1wyq h ASN 69 CO -0.08 -0.74 -0.24 0.00 -1.29 0.00 0.00 177.43 175.08 1wyq h ALA 70 N -1.30 1.44 -0.06 1.57 0.00 -0.54 0.46 119.26 120.83 1wyq h ALA 70 Ca -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1wyq h ALA 70 Cb 0.94 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wyq h ALA 70 CO 0.15 0.30 -0.05 0.74 0.00 0.00 0.00 179.25 180.39 1wyq h PHE 71 N 0.00 0.16 0.00 0.00 -1.00 -0.96 -2.76 116.94 112.39 1wyq h PHE 71 Ca -0.00 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1wyq h PHE 71 Cb 0.47 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1wyq h PHE 71 CO 0.00 0.56 -0.00 -2.95 -1.61 0.00 0.00 178.31 174.31 1wyq h ASN 72 N -0.28 -0.00 -0.83 2.17 7.08 -0.26 -2.93 115.58 120.52 1wyq h ASN 72 Ca 0.01 -0.88 0.20 0.00 -3.08 0.00 0.00 56.30 52.55 1wyq h ASN 72 Cb 0.53 0.00 -0.15 0.00 -2.08 0.00 0.00 38.32 36.62 1wyq h ASN 72 CO 0.01 0.91 0.03 -0.07 -2.08 0.00 0.00 177.43 176.23 1wyq h LEU 73 N -0.95 -0.35 -0.83 6.14 3.38 -0.20 0.70 115.31 123.21 1wyq h LEU 73 Ca -0.00 0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1wyq h LEU 73 Cb 0.89 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1wyq h LEU 73 CO 0.00 -0.21 -0.47 0.00 0.09 0.00 0.00 178.44 177.85 1wyq h ALA 74 N 1.78 1.01 0.00 1.53 0.00 -1.60 0.45 119.26 122.43 1wyq h ALA 74 Ca 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wyq h ALA 74 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wyq h ALA 74 CO -0.73 0.64 0.00 -1.91 0.00 0.00 0.00 179.25 177.25 1wyq n GLU 75 N -3.98 0.08 -0.02 0.00 0.00 0.20 0.51 120.64 117.44 1wyq n GLU 75 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 57.16 57.25 1wyq n GLU 75 Cb 0.52 -1.61 -0.01 0.00 0.00 0.00 0.00 31.44 30.35 1wyq n GLU 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1wyq n LYS 76 N -1.75 0.16 0.01 5.31 0.00 0.12 -4.22 118.16 117.79 1wyq n LYS 76 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 58.31 58.42 1wyq n LYS 76 Cb 0.32 -0.68 -0.00 0.00 0.00 0.00 0.00 35.03 34.67 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 -0.30 -0.03 -0.13 1.64 4.39 -0.28 -3.31 114.58 116.56 1wyq h GLU 77 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wyq h GLU 77 Cb 0.30 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1wyq h GLU 77 CO 0.00 -0.02 0.08 -0.07 -1.16 0.00 0.00 179.01 177.84 1wyq h LEU 78 N -0.03 0.12 -0.05 1.33 3.38 -1.60 -3.48 115.31 114.98 1wyq h LEU 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wyq h LEU 78 Cb 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wyq h LEU 78 CO 0.01 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1wyq n GLY 79 N -1.13 0.86 3.93 0.83 0.00 0.18 -5.01 105.19 104.85 1wyq n GLY 79 Ca -0.04 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.05 2.88 -0.33 0.99 1.43 -0.41 -4.95 118.68 118.25 1wyq s LEU 80 Ca 0.00 -1.09 -0.03 0.00 -1.03 0.00 0.00 54.13 51.98 1wyq s LEU 80 Cb 0.00 -1.40 0.06 0.00 0.03 0.00 0.00 46.19 44.88 1wyq s LEU 80 CO 0.00 -1.09 0.05 -0.89 0.23 0.00 0.00 176.35 174.65 1wyq s THR 81 N -2.71 3.17 -0.62 5.49 2.01 -1.26 -4.08 115.64 117.64 1wyq s THR 81 Ca 0.42 -1.47 -0.26 0.00 0.31 0.00 0.00 61.69 60.69 1wyq s THR 81 Cb -0.03 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 1wyq s THR 81 CO 0.26 -0.23 2.38 -1.59 -0.69 0.00 0.00 174.62 174.76 1wyq s LYS 82 N 1.26 1.92 0.14 4.92 -2.85 -1.26 -4.79 119.74 119.07 1wyq s LYS 82 Ca -0.02 0.98 -0.14 0.00 -1.00 0.00 0.00 55.97 55.78 1wyq s LYS 82 Cb -0.20 -4.67 0.01 0.00 -2.06 0.00 0.00 37.83 30.91 1wyq s LYS 82 CO -0.01 -3.75 1.64 -0.07 0.10 0.00 0.00 175.35 173.27 1wyq h LEU 83 N 20.70 0.68 0.00 2.77 3.38 -1.96 -3.44 115.31 137.44 1wyq h LEU 83 Ca -0.14 -0.23 -0.46 0.00 0.09 0.00 0.00 57.88 57.14 1wyq h LEU 83 Cb 1.15 -0.18 0.10 0.00 0.09 0.00 0.00 40.66 41.83 1wyq h LEU 83 CO 1.10 0.74 0.18 0.18 0.09 0.00 0.00 178.44 180.73 1wyq n LEU 84 N -4.51 0.00 -4.27 1.67 4.77 -1.26 -5.12 117.00 108.28 1wyq n LEU 84 Ca 0.00 -2.01 -0.20 0.00 -0.03 0.00 0.00 56.01 53.77 1wyq n LEU 84 Cb 0.21 -0.73 -0.12 0.00 -2.33 0.00 0.00 43.42 40.46 1wyq n LEU 84 CO 0.39 -1.09 -0.48 -1.81 -1.33 0.00 0.00 177.39 173.08 1wyq s ASP 85 N -5.28 2.29 0.00 -1.43 1.01 -1.26 -5.02 116.67 106.99 1wyq s ASP 85 Ca 0.69 -0.78 0.14 0.00 0.71 0.00 0.00 52.55 53.31 1wyq s ASP 85 Cb -0.03 -0.11 0.83 0.00 1.01 0.00 0.00 42.92 44.62 1wyq s ASP 85 CO 0.46 -0.06 1.25 -0.81 0.21 0.00 0.00 175.17 176.23 1wyq n PRO 86 N 0.66 0.49 -0.05 8.23 -0.04 -1.26 -2.52 135.00 140.51 1wyq n PRO 86 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1wyq n PRO 86 Cb 0.56 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1wyq n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wyq n GLU 87 N -0.95 0.27 -0.04 0.54 1.02 -1.26 -4.40 120.64 115.83 1wyq n GLU 87 Ca 0.10 0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 57.27 1wyq n GLU 87 Cb 0.05 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.48 -0.15 -0.64 1.62 3.32 -1.98 -2.40 116.42 115.72 1wyq h ASP 88 Ca -0.20 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.00 1wyq h ASP 88 Cb 0.97 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 1wyq h ASP 88 CO -0.12 -0.05 0.24 0.58 -1.72 0.00 0.00 179.24 178.17 1wyq h VAL 89 N 0.02 0.75 -0.56 -1.35 2.07 -1.78 -3.35 116.25 112.05 1wyq h VAL 89 Ca 0.09 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 67.29 1wyq h VAL 89 Cb 0.13 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1wyq h VAL 89 CO -0.18 0.08 0.44 0.21 0.02 0.00 0.00 177.57 178.14 1wyq s ASN 90 N -5.39 4.62 0.17 0.57 2.47 -0.90 -4.60 114.94 111.89 1wyq s ASN 90 Ca -0.13 -0.40 -0.17 0.00 0.42 0.00 0.00 52.86 52.58 1wyq s ASN 90 Cb 0.18 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.45 1wyq s ASN 90 CO 0.75 -3.22 0.48 0.54 -3.72 0.00 0.00 177.10 171.93 1wyq s VAL 91 N 12.04 0.04 0.14 -5.21 0.11 -1.26 -4.95 120.40 121.32 1wyq s VAL 91 Ca 0.79 -0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 58.90 1wyq s VAL 91 Cb -0.09 -1.43 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1wyq s VAL 91 CO 0.03 -0.17 1.61 0.44 -3.33 0.00 0.00 175.10 173.68 1wyq h ASP 92 N 2.25 -0.96 -2.79 3.54 5.19 -1.95 -3.35 116.42 118.35 1wyq h ASP 92 Ca -0.31 0.15 -0.60 0.00 -0.62 0.00 0.00 57.03 55.65 1wyq h ASP 92 Cb 1.26 0.42 -0.39 0.00 0.18 0.00 0.00 39.33 40.80 1wyq h ASP 92 CO 0.41 -0.34 -0.83 0.00 -3.12 0.00 0.00 179.24 175.36 1wyq s GLN 93 N -6.01 1.21 0.37 3.56 -2.07 -1.26 -4.76 119.66 110.69 1wyq s GLN 93 Ca -0.15 -2.17 -0.27 0.00 -1.82 0.00 0.00 55.36 50.95 1wyq s GLN 93 Cb 0.11 -1.96 -0.09 0.00 -1.09 0.00 0.00 33.01 29.98 1wyq s GLN 93 CO 0.66 -1.29 1.20 -1.25 -1.32 0.00 0.00 175.29 173.30 1wyq s PRO 94 N 0.03 4.20 -0.64 9.60 0.04 -1.26 -4.88 135.00 142.10 1wyq s PRO 94 Ca 0.25 1.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 1wyq s PRO 94 Cb -0.09 -2.85 -0.11 0.00 0.04 0.00 0.00 34.50 31.49 1wyq s PRO 94 CO -0.11 -0.23 2.44 -0.40 0.04 0.00 0.00 177.00 178.74 1wyq n ASP 95 N 0.41 1.81 -0.16 6.66 5.68 -1.26 -4.65 116.55 125.03 1wyq n ASP 95 Ca 0.02 -0.63 0.27 0.00 -0.50 0.00 0.00 54.79 53.95 1wyq n ASP 95 Cb 0.45 -1.48 0.71 0.00 -1.14 0.00 0.00 41.12 39.66 1wyq n ASP 95 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1wyq h GLU 96 N 16.95 0.02 -0.58 0.11 4.11 -1.90 0.19 114.58 133.48 1wyq h GLU 96 Ca -0.16 -0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.17 1wyq h GLU 96 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1wyq h GLU 96 CO 1.18 0.02 -0.05 0.87 0.07 0.00 0.00 179.01 181.09 1wyq h LYS 97 N 0.03 1.07 0.00 1.06 1.79 -1.85 0.14 116.57 118.79 1wyq h LYS 97 Ca 0.41 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1wyq h LYS 97 Cb 1.58 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 1wyq h LYS 97 CO -0.02 1.07 0.00 0.43 -1.08 0.00 0.00 179.45 179.85 1wyq n SER 98 N -4.16 0.00 -0.12 0.86 7.64 0.65 -3.26 113.62 115.22 1wyq n SER 98 Ca 0.02 0.42 -0.25 0.00 1.01 0.00 0.00 58.87 60.07 1wyq n SER 98 Cb 0.38 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 63.03 1wyq n SER 98 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1wyq n ILE 99 N -1.46 1.41 -0.31 0.44 5.41 -0.85 -4.05 119.36 119.95 1wyq n ILE 99 Ca 0.05 -0.29 0.16 0.00 1.00 0.00 0.00 62.75 63.67 1wyq n ILE 99 Cb 0.19 -1.90 0.34 0.00 -0.71 0.00 0.00 39.64 37.56 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 -0.92 0.29 -0.42 1.39 2.04 -0.78 0.40 117.51 119.51 1wyq h ILE 100 Ca -0.57 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 1wyq h ILE 100 Cb 1.49 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1wyq h ILE 100 CO -0.35 0.04 -0.13 0.74 0.00 0.00 0.00 178.15 178.45 1wyq h THR 101 N 0.22 1.28 0.64 -0.27 2.02 -1.78 -2.11 112.91 112.91 1wyq h THR 101 Ca 0.61 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1wyq h THR 101 Cb 1.28 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1wyq h THR 101 CO -0.66 0.42 -0.31 0.22 0.37 0.00 0.00 175.52 175.56 1wyq h TYR 102 N 0.65 -0.79 -0.79 3.16 3.20 -0.54 -3.01 116.97 118.84 1wyq h TYR 102 Ca 0.10 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.15 1wyq h TYR 102 Cb 0.67 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 1wyq h TYR 102 CO 0.05 -0.45 0.55 -0.24 -1.64 0.00 0.00 178.16 176.43 1wyq h VAL 103 N -1.11 0.68 -1.01 1.81 3.04 -0.58 -0.49 116.25 118.58 1wyq h VAL 103 Ca -0.09 -0.07 0.24 0.00 -1.01 0.00 0.00 66.70 65.76 1wyq h VAL 103 Cb 0.70 0.45 -0.11 0.00 -2.01 0.00 0.00 31.29 30.31 1wyq h VAL 103 CO 0.14 0.04 0.62 0.00 -1.01 0.00 0.00 177.57 177.36 1wyq h ALA 104 N 1.63 1.87 -0.78 3.17 0.00 -1.23 0.96 119.26 124.88 1wyq h ALA 104 Ca 0.39 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1wyq h ALA 104 Cb 1.22 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1wyq h ALA 104 CO -0.08 -0.30 0.44 1.79 0.00 0.00 0.00 179.25 181.09 1wyq h THR 105 N 0.58 0.94 -0.81 0.00 1.35 -1.16 0.79 112.91 114.59 1wyq h THR 105 Ca 0.61 -0.26 0.07 0.00 -0.55 0.00 0.00 66.41 66.28 1wyq h THR 105 Cb 1.21 0.10 -0.05 0.00 -1.73 0.00 0.00 68.15 67.68 1wyq h THR 105 CO -0.40 0.14 0.53 1.88 -0.25 0.00 0.00 175.52 177.42 1wyq h TYR 106 N 0.77 0.89 0.05 4.73 -1.99 -0.94 0.57 116.97 121.04 1wyq h TYR 106 Ca 0.36 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.11 1wyq h TYR 106 Cb 0.29 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1wyq h TYR 106 CO -0.07 0.46 -0.02 -0.92 -0.00 0.00 0.00 178.16 177.61 1wyq h TYR 107 N 0.87 -0.06 0.11 4.88 3.20 -1.14 -3.16 116.97 121.67 1wyq h TYR 107 Ca 0.35 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.24 1wyq h TYR 107 Cb 0.25 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1wyq h TYR 107 CO -0.00 0.55 -0.39 0.45 -1.64 0.00 0.00 178.16 177.12 1wyq h HIS 108 N -0.90 -1.10 0.00 -3.82 3.86 -0.71 0.21 115.15 112.69 1wyq h HIS 108 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1wyq h HIS 108 Cb 0.64 0.47 0.00 0.00 1.06 0.00 0.00 27.41 29.58 1wyq h HIS 108 CO 0.16 -0.50 0.00 0.98 0.86 0.00 0.00 177.93 179.43 1wyq n TYR 109 N -5.45 0.00 -0.30 2.45 9.36 0.17 -0.37 117.16 123.02 1wyq n TYR 109 Ca -0.07 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.27 1wyq n TYR 109 Cb 0.37 -0.48 0.28 0.00 -0.63 0.00 0.00 39.34 38.88 1wyq n TYR 109 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1wyq h PHE 110 N 0.00 0.67 0.08 2.98 0.04 -1.50 -1.26 116.94 117.94 1wyq h PHE 110 Ca 0.00 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1wyq h PHE 110 Cb 0.00 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 1wyq h PHE 110 CO -0.58 0.01 -0.29 1.03 -0.60 0.00 0.00 178.31 177.88 1wyq h SER 111 N 0.45 -0.84 -0.82 2.17 0.87 0.60 -2.07 113.55 113.90 1wyq h SER 111 Ca 0.53 0.10 0.19 0.00 -1.23 0.00 0.00 61.79 61.38 1wyq h SER 111 Cb 0.95 0.33 -0.12 0.00 -0.44 0.00 0.00 62.40 63.13 1wyq h SER 111 CO -0.49 -0.37 0.30 0.11 -0.53 0.00 0.00 176.83 175.85 1wyq h LYS 112 N -0.48 0.35 -7.42 2.24 1.57 0.50 -3.38 116.57 109.95 1wyq h LYS 112 Ca 0.04 -0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 58.34 1wyq h LYS 112 Cb 0.53 -0.08 0.12 0.00 0.08 0.00 0.00 32.23 32.88 1wyq h LYS 112 CO -0.20 0.23 0.25 -1.64 -0.57 0.00 0.00 179.45 177.52 1wyq s MET 113 N -5.97 1.26 -1.40 3.15 -1.94 -0.78 -4.25 119.30 109.37 1wyq s MET 113 Ca -0.12 -0.78 -0.15 0.00 -1.71 0.00 0.00 55.69 52.93 1wyq s MET 113 Cb 0.23 -2.12 0.15 0.00 2.01 0.00 0.00 34.83 35.10 1wyq s MET 113 CO 0.77 -1.85 0.37 1.17 -0.01 0.00 0.00 175.02 175.47 1wyq n LYS 114 N -3.23 -0.81 -1.50 2.03 4.81 -1.26 -4.73 118.16 113.47 1wyq n LYS 114 Ca 0.15 0.10 -0.46 0.00 -0.87 0.00 0.00 58.31 57.22 1wyq n LYS 114 Cb 0.60 -3.46 -0.02 0.00 0.02 0.00 0.00 35.03 32.16 1wyq n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyq n ALA 115 N -3.34 -1.51 -1.77 3.14 0.00 -1.26 -4.86 120.51 110.91 1wyq n ALA 115 Ca 0.03 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1wyq n ALA 115 Cb 0.38 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 1wyq n ALA 115 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wyq s LEU 116 N 1.63 4.38 -0.23 0.00 2.34 -1.26 -5.02 118.68 120.51 1wyq s LEU 116 Ca 0.62 2.85 -0.25 0.00 0.06 0.00 0.00 54.13 57.42 1wyq s LEU 116 Cb -0.82 -3.66 0.07 0.00 -0.56 0.00 0.00 46.19 41.22 1wyq s LEU 116 CO 0.58 -0.69 0.68 0.00 -1.06 0.00 0.00 176.35 175.86 1wyq s ALA 117 N -1.12 -1.70 -0.07 1.48 0.00 -1.26 -5.13 121.76 113.96 1wyq s ALA 117 Ca 0.51 1.85 -0.30 0.00 0.00 0.00 0.00 51.96 54.02 1wyq s ALA 117 Cb -0.43 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1wyq s ALA 117 CO 0.57 -0.33 1.54 0.54 0.00 0.00 0.00 175.76 178.09 1wyq s VAL 118 N 0.15 3.74 0.08 0.00 0.11 -1.26 -5.01 120.40 118.21 1wyq s VAL 118 Ca -0.02 0.93 0.08 0.00 -2.93 0.00 0.00 61.98 60.04 1wyq s VAL 118 Cb -0.04 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1wyq s VAL 118 CO 0.02 -0.07 -0.21 -1.83 -3.33 0.00 0.00 175.10 169.68 1wyq s GLU 119 N 3.72 1.20 -0.37 1.54 4.04 -1.26 -5.07 118.70 122.50 1wyq s GLU 119 Ca 0.68 -1.07 -0.39 0.00 0.04 0.00 0.00 54.97 54.23 1wyq s GLU 119 Cb -0.31 -1.41 -0.15 0.00 0.02 0.00 0.00 34.13 32.29 1wyq s GLU 119 CO 0.26 0.34 2.05 0.41 -1.84 0.00 0.00 175.26 176.48 1wyq n GLY 120 N 1.37 0.41 3.55 -3.83 0.00 -1.26 -4.80 105.19 100.63 1wyq n GLY 120 Ca -0.19 0.98 -0.50 0.00 0.00 0.00 0.00 46.02 46.32 1wyq n GLY 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wyq n LYS 121 N 7.23 0.90 -2.47 1.61 3.00 -1.26 -4.97 118.16 122.20 1wyq n LYS 121 Ca 0.41 0.32 -0.25 0.00 -0.00 0.00 0.00 58.31 58.79 1wyq n LYS 121 Cb 0.13 -1.76 0.14 0.00 0.00 0.00 0.00 35.03 33.54 1wyq n LYS 121 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1wyq s SER 122 N -0.13 3.88 0.10 3.14 0.01 -1.26 -5.01 113.70 114.43 1wyq s SER 122 Ca 0.74 -0.36 -0.31 0.00 1.31 0.00 0.00 55.95 57.33 1wyq s SER 122 Cb -0.91 0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.39 1wyq s SER 122 CO 0.53 -2.20 1.70 -0.83 0.41 0.00 0.00 173.24 172.86 1wyq s GLY 123 N -4.84 1.48 0.00 3.44 0.00 -1.26 -4.86 107.32 101.28 1wyq s GLY 123 Ca 0.70 1.31 0.15 0.00 0.00 0.00 0.00 44.72 46.89 1wyq s GLY 123 CO 0.47 2.94 1.35 -1.55 0.00 0.00 0.00 173.10 176.31 1wyq n PRO 124 N 5.39 0.45 -0.02 2.90 -0.04 -1.26 -3.02 135.00 139.39 1wyq n PRO 124 Ca 0.16 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 1wyq n PRO 124 Cb 0.39 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.23 1wyq n PRO 124 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wyq h SER 125 N 0.00 0.25 -3.06 3.54 4.64 -2.05 -3.43 113.55 113.43 1wyq h SER 125 Ca 0.00 -0.82 -0.54 0.00 -0.47 0.00 0.00 61.79 59.97 1wyq h SER 125 Cb 0.02 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1wyq h SER 125 CO 0.00 1.04 0.68 -0.94 -0.87 0.00 0.00 176.83 176.74 1wyq s SER 126 N -6.41 6.96 0.00 4.97 1.04 -1.17 -5.30 113.70 113.79 1wyq s SER 126 Ca -0.16 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.37 1wyq s SER 126 Cb 0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wyq s SER 126 CO 0.75 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.99