#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyq n GLY 2 N 0.00 2.99 0.31 -0.02 0.00 -1.26 -5.11 105.19 102.11 2pyq n GLY 2 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.81 2pyq n GLY 2 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pyq h LYS 3 N 0.00 0.60 -0.74 1.61 3.64 -2.05 -2.64 116.57 116.99 2pyq h LYS 3 Ca 0.00 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2pyq h LYS 3 Cb 0.00 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.62 2pyq h LYS 3 CO 0.00 0.39 0.39 -0.09 -2.27 0.00 0.00 179.45 177.87 2pyq h ARG 4 N 0.61 0.65 -0.48 1.90 2.43 -2.00 -0.72 114.38 116.78 2pyq h ARG 4 Ca 0.17 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 2pyq h ARG 4 Cb -0.06 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2pyq h ARG 4 CO -0.04 0.43 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.27 2pyq h ASP 5 N 0.67 0.90 -0.56 -3.80 3.32 -1.91 -0.63 116.42 114.41 2pyq h ASP 5 Ca 0.36 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2pyq h ASP 5 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2pyq h ASP 5 CO -0.25 1.04 0.15 0.44 -1.72 0.00 0.00 179.24 178.90 2pyq h ASP 6 N 0.80 0.83 -0.20 6.45 3.32 -1.37 -1.23 116.42 125.03 2pyq h ASP 6 Ca 0.12 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2pyq h ASP 6 Cb 0.67 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2pyq h ASP 6 CO 0.05 0.84 0.08 -0.07 -1.72 0.00 0.00 179.24 178.42 2pyq h LEU 7 N 0.79 0.28 -0.86 1.55 3.38 -0.94 -0.37 115.31 119.14 2pyq h LEU 7 Ca 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2pyq h LEU 7 Cb 0.32 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2pyq h LEU 7 CO -0.00 0.37 0.50 0.40 0.09 0.00 0.00 178.44 179.80 2pyq h ILE 8 N 0.17 1.24 -0.62 1.22 2.04 -1.01 0.85 117.51 121.41 2pyq h ILE 8 Ca 0.07 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.37 2pyq h ILE 8 Cb 0.18 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 2pyq h ILE 8 CO -0.01 0.26 0.40 0.00 0.00 0.00 0.00 178.15 178.81 2pyq h ALA 9 N 1.27 0.79 -0.64 1.87 0.00 -1.04 -0.52 119.26 121.00 2pyq h ALA 9 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2pyq h ALA 9 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2pyq h ALA 9 CO -0.05 0.20 0.19 0.37 0.00 0.00 0.00 179.25 179.95 2pyq h GLN 10 N 0.82 0.99 -0.37 0.00 5.75 -0.18 -0.79 115.11 121.34 2pyq h GLN 10 Ca 0.23 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2pyq h GLN 10 Cb -0.07 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 2pyq h GLN 10 CO -0.06 0.88 0.13 1.88 -2.65 0.00 0.00 178.83 179.01 2pyq h TYR 11 N 0.92 0.58 -0.82 3.99 0.05 -0.45 -0.30 116.97 120.94 2pyq h TYR 11 Ca 0.20 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 2pyq h TYR 11 Cb 0.31 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 2pyq h TYR 11 CO 0.02 0.54 0.49 0.00 -1.05 0.00 0.00 178.16 178.16 2pyq h ALA 12 N 0.98 1.04 -0.46 3.88 0.00 -0.94 -1.04 119.26 122.71 2pyq h ALA 12 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2pyq h ALA 12 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2pyq h ALA 12 CO -0.01 0.51 0.12 0.22 0.00 0.00 0.00 179.25 180.10 2pyq h ASP 13 N 1.12 0.69 -0.60 0.00 1.82 -0.86 -2.12 116.42 116.47 2pyq h ASP 13 Ca 0.29 -0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 2pyq h ASP 13 Cb -0.03 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 39.77 2pyq h ASP 13 CO -0.05 0.74 0.28 0.44 -1.61 0.00 0.00 179.24 179.03 2pyq h ASP 14 N 0.62 0.80 -0.46 2.28 5.19 -0.83 0.16 116.42 124.18 2pyq h ASP 14 Ca 0.15 -0.14 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 2pyq h ASP 14 Cb 0.31 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 2pyq h ASP 14 CO -0.00 0.72 0.26 -0.07 -3.12 0.00 0.00 179.24 177.03 2pyq h LEU 15 N 0.83 0.42 0.20 1.55 3.38 -1.04 0.71 115.31 121.35 2pyq h LEU 15 Ca 0.21 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2pyq h LEU 15 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pyq h LEU 15 CO -0.02 0.30 -0.09 -0.09 0.09 0.00 0.00 178.44 178.62 2pyq h ARG 16 N 0.53 -0.26 0.00 1.13 2.43 -1.19 -2.08 114.38 114.94 2pyq h ARG 16 Ca 0.19 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2pyq h ARG 16 Cb 0.04 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2pyq h ARG 16 CO -0.10 0.14 -1.16 0.09 -1.51 0.00 0.00 179.97 177.43 2pyq n ASN 17 N -4.99 0.59 -0.03 -3.80 3.02 0.55 -2.83 115.26 107.78 2pyq n ASN 17 Ca -0.08 0.02 -0.02 0.00 -0.03 0.00 0.00 54.58 54.46 2pyq n ASN 17 Cb 0.26 0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 40.22 2pyq n ASN 17 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pyq n LYS 18 N -2.25 2.19 0.00 3.52 5.02 0.11 -4.77 118.16 121.98 2pyq n LYS 18 Ca 0.00 -0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.33 2pyq n LYS 18 Cb 0.50 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 2pyq n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pyq n GLY 20 N 1.09 -1.16 2.98 0.00 0.00 -0.79 -4.94 105.19 102.36 2pyq n GLY 20 Ca 0.04 0.82 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 2pyq n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyq s GLU 22 N -2.52 1.92 0.24 1.61 0.41 -1.26 -4.99 118.70 114.12 2pyq s GLU 22 Ca 0.14 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 2pyq s GLU 22 Cb -0.04 -2.36 -0.09 0.00 -1.78 0.00 0.00 34.13 29.86 2pyq s GLU 22 CO 0.62 -0.43 1.26 -1.25 -0.49 0.00 0.00 175.26 174.97 2pyq s PRO 23 N 1.43 4.44 0.65 0.39 0.04 -1.26 -5.04 135.00 135.65 2pyq s PRO 23 Ca -0.01 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 2pyq s PRO 23 Cb -0.16 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.28 2pyq s PRO 23 CO -0.08 -0.14 0.92 0.34 0.04 0.00 0.00 177.00 178.08 2pyq s ASP 24 N -0.10 4.85 0.00 6.66 -1.08 -1.26 -5.06 116.67 120.69 2pyq s ASP 24 Ca 0.52 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.62 2pyq s ASP 24 Cb -0.36 -0.74 0.00 0.00 -1.46 0.00 0.00 42.92 40.36 2pyq s ASP 24 CO 0.42 -1.50 0.00 0.00 0.52 0.00 0.00 175.17 174.61 2pyq n ALA 26 N -2.68 0.00 -0.11 3.66 0.00 -1.26 -0.49 120.51 119.63 2pyq n ALA 26 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2pyq n ALA 26 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 2pyq n ALA 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pyq h LEU 27 N 0.00 0.68 -0.70 0.00 5.85 -1.99 -2.36 115.31 116.79 2pyq h LEU 27 Ca 0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2pyq h LEU 27 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2pyq h LEU 27 CO 0.00 0.92 0.45 0.25 -0.34 0.00 0.00 178.44 179.72 2pyq h LEU 28 N 0.44 0.81 -0.85 2.25 5.85 -1.20 0.62 115.31 123.23 2pyq h LEU 28 Ca 0.08 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2pyq h LEU 28 Cb 0.65 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2pyq h LEU 28 CO 0.04 0.60 0.57 -0.33 -0.34 0.00 0.00 178.44 178.98 2pyq h GLU 29 N 0.94 1.12 -0.48 1.25 5.08 -1.79 -0.54 114.58 120.17 2pyq h GLU 29 Ca 0.25 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2pyq h GLU 29 Cb -0.09 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.89 2pyq h GLU 29 CO -0.05 0.74 -0.12 0.87 -1.00 0.00 0.00 179.01 179.45 2pyq h LYS 30 N 1.15 0.92 -0.43 2.33 1.57 -0.83 -1.54 116.57 119.74 2pyq h LYS 30 Ca 0.31 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2pyq h LYS 30 Cb -0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2pyq h LYS 30 CO -0.07 1.01 0.07 0.28 -0.57 0.00 0.00 179.45 180.17 2pyq h VAL 31 N 0.77 1.25 -0.38 0.50 2.07 -0.68 -1.34 116.25 118.45 2pyq h VAL 31 Ca 0.12 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2pyq h VAL 31 Cb 0.68 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2pyq h VAL 31 CO 0.05 0.31 0.23 0.74 0.02 0.00 0.00 177.57 178.92 2pyq h THR 32 N 0.58 1.05 -0.77 2.57 2.02 -1.02 -2.07 112.91 115.27 2pyq h THR 32 Ca 0.13 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2pyq h THR 32 Cb 0.39 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2pyq h THR 32 CO 0.01 0.08 0.40 0.50 0.37 0.00 0.00 175.52 176.88 2pyq h LYS 33 N 0.46 1.10 0.00 6.66 3.64 -1.15 -2.04 116.57 125.25 2pyq h LYS 33 Ca 0.15 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2pyq h LYS 33 Cb -0.01 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2pyq h LYS 33 CO -0.06 0.83 -0.03 0.78 -2.27 0.00 0.00 179.45 178.70 2pyq h GLY 34 N 1.08 0.00 2.00 5.01 0.00 -0.71 -1.14 103.07 109.32 2pyq h GLY 34 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 2pyq h GLY 34 CO -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.34 2pyq n GLY 36 N 0.14 1.69 0.06 0.00 0.00 -0.43 -3.31 105.19 103.34 2pyq n GLY 36 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.49 2pyq n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pyq n PRO 37 N 12.27 0.12 -0.31 1.61 -0.04 -1.26 -3.46 135.00 143.93 2pyq n PRO 37 Ca 0.00 0.25 0.22 0.00 -0.04 0.00 0.00 63.50 63.93 2pyq n PRO 37 Cb 0.00 -1.69 0.50 0.00 -0.04 0.00 0.00 33.50 32.28 2pyq n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pyq h ALA 38 N 2.53 2.22 0.00 0.55 0.00 -1.90 -0.97 119.26 121.69 2pyq h ALA 38 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2pyq h ALA 38 Cb 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pyq h ALA 38 CO 0.00 -0.60 -0.15 -0.84 0.00 0.00 0.00 179.25 177.66 2pyq h ILE 39 N 0.40 1.07 -0.00 0.00 3.07 -1.79 -2.39 117.51 117.87 2pyq h ILE 39 Ca 0.57 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 66.47 2pyq h ILE 39 Cb 1.44 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 2pyq h ILE 39 CO -0.28 0.15 -0.45 -1.22 -1.05 0.00 0.00 178.15 175.30 2pyq n TYR 40 N -4.31 0.00 -3.49 0.16 4.01 -0.38 -4.76 117.16 108.39 2pyq n TYR 40 Ca -0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 2pyq n TYR 40 Cb 0.22 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 2pyq n TYR 40 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2pyq s ASN 41 N -2.77 6.16 0.13 7.72 3.84 -0.94 -5.02 114.94 124.06 2pyq s ASN 41 Ca 0.16 0.17 -0.33 0.00 0.21 0.00 0.00 52.86 53.08 2pyq s ASN 41 Cb 0.18 -2.17 -0.11 0.00 -0.55 0.00 0.00 41.25 38.61 2pyq s ASN 41 CO 0.64 -0.11 1.56 -0.09 -2.79 0.00 0.00 177.10 176.31 2pyq h ARG 42 N 8.15 -0.50 -0.43 0.43 9.65 -1.88 0.16 114.38 129.96 2pyq h ARG 42 Ca -0.34 0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.48 2pyq h ARG 42 Cb 1.17 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 2pyq h ARG 42 CO 0.61 -0.33 -0.11 -0.44 2.80 0.00 0.00 179.97 182.50 2pyq h ASP 43 N -0.51 0.85 1.12 -3.80 5.19 -1.94 -3.02 116.42 114.30 2pyq h ASP 43 Ca 0.05 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2pyq h ASP 43 Cb 0.65 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 2pyq h ASP 43 CO -0.48 1.02 -0.04 0.00 -3.12 0.00 0.00 179.24 176.62 2pyq h ALA 44 N 0.86 1.00 0.00 3.45 0.00 -1.73 -3.24 119.26 119.60 2pyq h ALA 44 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pyq h ALA 44 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pyq h ALA 44 CO 0.04 0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.00 2pyq h SER 45 N 0.00 0.00 -2.74 0.00 4.64 -0.22 -3.45 113.55 111.79 2pyq h SER 45 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2pyq h SER 45 Cb 0.61 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.56 2pyq h SER 45 CO 0.00 0.00 -0.70 0.42 -0.87 0.00 0.00 176.83 175.69 2pyq s THR 46 N -3.27 1.85 -0.12 2.95 -4.23 -1.23 -0.95 115.64 110.65 2pyq s THR 46 Ca 0.07 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 2pyq s THR 46 Cb 0.10 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 2pyq s THR 46 CO 0.54 -0.35 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.42 2pyq s VAL 47 N -2.88 2.79 -0.72 2.29 1.01 0.35 -4.73 120.40 118.50 2pyq s VAL 47 Ca 0.29 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 2pyq s VAL 47 Cb 0.02 -2.14 0.06 0.00 0.00 0.00 0.00 36.38 34.32 2pyq s VAL 47 CO 0.12 0.54 1.10 0.00 0.00 0.00 0.00 175.10 176.86 2pyq s ALA 48 N 0.26 3.00 0.60 5.51 0.00 -1.26 -4.45 121.76 125.43 2pyq s ALA 48 Ca -0.11 -1.79 0.32 0.00 0.00 0.00 0.00 51.96 50.38 2pyq s ALA 48 Cb -0.16 -4.03 1.86 0.00 0.00 0.00 0.00 23.12 20.79 2pyq s ALA 48 CO 0.06 -2.99 2.22 0.78 0.00 0.00 0.00 175.76 175.83 2pyq h GLY 49 N 11.87 0.00 -1.45 0.00 0.00 -1.93 -2.36 103.07 109.20 2pyq h GLY 49 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2pyq h GLY 49 CO 1.22 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.62 2pyq n SER 50 N -3.69 2.98 -4.59 0.19 3.41 -1.26 -4.96 113.62 105.71 2pyq n SER 50 Ca -0.02 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 2pyq n SER 50 Cb 0.16 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.80 2pyq n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pyq s ASP 51 N -1.01 6.39 0.23 4.04 2.15 -0.89 -4.96 116.67 122.62 2pyq s ASP 51 Ca 0.26 0.24 -0.08 0.00 0.43 0.00 0.00 52.55 53.41 2pyq s ASP 51 Cb 0.14 -2.29 0.23 0.00 -0.30 0.00 0.00 42.92 40.69 2pyq s ASP 51 CO 0.18 -0.43 1.90 0.71 -0.17 0.00 0.00 175.17 177.37 2pyq h THR 52 N 5.54 1.21 -0.34 1.71 1.35 -1.93 -2.37 112.91 118.08 2pyq h THR 52 Ca -0.28 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 2pyq h THR 52 Cb 1.13 -0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 2pyq h THR 52 CO 0.76 0.22 0.19 0.00 -0.25 0.00 0.00 175.52 176.44 2pyq h ALA 53 N 1.34 0.44 -0.37 6.62 0.00 -1.96 -1.35 119.26 123.98 2pyq h ALA 53 Ca 0.33 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2pyq h ALA 53 Cb -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 2pyq h ALA 53 CO -0.08 -0.03 0.03 1.49 0.00 0.00 0.00 179.25 180.66 2pyq h GLU 54 N 0.43 0.14 -0.46 0.00 4.57 -1.78 -1.49 114.58 115.99 2pyq h GLU 54 Ca 0.12 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2pyq h GLU 54 Cb 0.06 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2pyq h GLU 54 CO -0.02 0.09 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.66 2pyq h LEU 55 N 0.14 0.96 -1.31 1.64 3.38 -1.22 -0.82 115.31 118.09 2pyq h LEU 55 Ca 0.18 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2pyq h LEU 55 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2pyq h LEU 55 CO -0.27 1.12 -0.02 -0.33 0.09 0.00 0.00 178.44 179.03 2pyq h GLU 56 N 0.78 0.44 -0.25 1.13 4.39 -1.07 -1.09 114.58 118.92 2pyq h GLU 56 Ca 0.11 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 2pyq h GLU 56 Cb 0.74 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2pyq h GLU 56 CO 0.06 0.49 -0.40 1.15 -1.16 0.00 0.00 179.01 179.14 2pyq h THR 57 N 0.43 1.31 -0.52 1.13 2.02 -0.92 -1.04 112.91 115.32 2pyq h THR 57 Ca 0.09 -1.60 0.01 0.00 0.77 0.00 0.00 66.41 65.68 2pyq h THR 57 Cb 0.31 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2pyq h THR 57 CO 0.01 0.51 0.33 0.40 0.37 0.00 0.00 175.52 177.14 2pyq h ILE 58 N 0.44 1.11 0.30 3.11 2.04 -0.89 0.98 117.51 124.60 2pyq h ILE 58 Ca 0.02 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2pyq h ILE 58 Cb 1.00 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2pyq h ILE 58 CO 0.09 0.12 -0.19 0.50 0.00 0.00 0.00 178.15 178.67 2pyq h LYS 59 N 0.67 -0.46 -0.23 2.37 3.64 -1.14 0.09 116.57 121.51 2pyq h LYS 59 Ca 0.19 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 2pyq h LYS 59 Cb -0.05 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2pyq h LYS 59 CO -0.06 -0.30 -0.45 1.57 -2.27 0.00 0.00 179.45 177.94 2pyq h LYS 60 N -0.47 0.71 0.11 1.90 2.10 -1.01 -3.10 116.57 116.81 2pyq h LYS 60 Ca -0.03 -0.46 -0.36 0.00 -2.00 0.00 0.00 60.65 57.80 2pyq h LYS 60 Cb 0.40 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 2pyq h LYS 60 CO 0.03 1.08 -2.03 0.09 -2.00 0.00 0.00 179.45 176.62 2pyq n ASN 61 N -4.16 2.02 -0.07 7.07 3.02 0.32 -2.05 115.26 121.40 2pyq n ASN 61 Ca -0.05 0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.62 2pyq n ASN 61 Cb 0.57 -0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 2pyq n ASN 61 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2pyq n PHE 62 N -3.43 0.91 0.51 3.10 7.35 -0.10 -1.57 117.46 124.23 2pyq n PHE 62 Ca -0.32 0.39 0.03 0.00 -0.76 0.00 0.00 57.45 56.80 2pyq n PHE 62 Cb 1.04 -0.80 0.20 0.00 0.35 0.00 0.00 39.48 40.28 2pyq n PHE 62 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2pyq n LEU 63 N -4.59 0.00 0.00 -2.13 4.77 -0.50 -0.72 117.00 113.83 2pyq n LEU 63 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2pyq n LEU 63 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2pyq n LEU 63 CO 0.12 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.35 2pyq n LYS 65 N -0.91 0.00 0.02 3.23 0.00 -0.87 -1.41 118.16 118.21 2pyq n LYS 65 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.25 2pyq n LYS 65 Cb 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.97 2pyq n LYS 65 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2pyq h LYS 66 N 0.00 -0.13 0.00 1.64 3.64 -0.98 -3.33 116.57 117.41 2pyq h LYS 66 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2pyq h LYS 66 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2pyq h LYS 66 CO 0.00 0.39 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.45 2pyq h LEU 67 N -0.84 0.00 0.20 5.20 3.38 -0.94 -3.48 115.31 118.83 2pyq h LEU 67 Ca -0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2pyq h LEU 67 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2pyq h LEU 67 CO 0.02 0.01 -0.07 0.61 0.09 0.00 0.00 178.44 179.10 2pyq n GLY 68 N 1.29 0.62 3.75 0.83 0.00 -1.07 -4.97 105.19 105.64 2pyq n GLY 68 Ca 0.05 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2pyq n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyq s LEU 69 N -0.83 4.54 0.59 0.99 1.43 -0.50 -5.02 118.68 119.88 2pyq s LEU 69 Ca 0.00 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.02 2pyq s LEU 69 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2pyq s LEU 69 CO 0.00 -0.11 1.08 0.00 0.23 0.00 0.00 176.35 177.55 2pyq s ALA 70 N -0.66 2.68 0.09 4.21 0.00 -1.26 -4.77 121.76 122.06 2pyq s ALA 70 Ca 0.46 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.61 2pyq s ALA 70 Cb -0.29 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2pyq s ALA 70 CO 0.36 -0.87 1.51 0.34 0.00 0.00 0.00 175.76 177.10 2pyq s ASP 71 N -2.55 6.71 0.16 0.00 2.15 -1.26 -4.93 116.67 116.95 2pyq s ASP 71 Ca 0.66 2.41 -0.24 0.00 0.43 0.00 0.00 52.55 55.81 2pyq s ASP 71 Cb -0.18 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 39.92 2pyq s ASP 71 CO 0.35 -0.77 0.74 -0.94 -0.17 0.00 0.00 175.17 174.38 2pyq s SER 72 N 1.63 -0.38 0.53 -0.34 1.04 -1.26 -5.04 113.70 109.87 2pyq s SER 72 Ca 0.68 -0.24 0.20 0.00 0.48 0.00 0.00 55.95 57.07 2pyq s SER 72 Cb -0.38 0.58 1.40 0.00 0.10 0.00 0.00 66.02 67.72 2pyq s SER 72 CO 0.30 -1.01 2.15 1.05 0.98 0.00 0.00 173.24 176.72 2pyq h GLU 73 N 2.00 0.00 -0.07 4.02 9.09 -2.06 -2.06 114.58 125.50 2pyq h GLU 73 Ca -0.26 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.17 2pyq h GLU 73 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 2pyq h GLU 73 CO 0.30 0.03 0.07 0.66 0.05 0.00 0.00 179.01 180.13 2pyq h SER 74 N 0.00 0.00 0.00 3.06 4.64 -1.96 -2.58 113.55 116.71 2pyq h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pyq h SER 74 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2pyq h SER 74 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2pyq n LEU 75 N -4.00 0.06 0.00 5.97 4.77 -0.78 -0.63 117.00 122.40 2pyq n LEU 75 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2pyq n LEU 75 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2pyq n LEU 75 CO 0.29 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2pyq n GLY 77 N -0.09 0.00 0.23 -0.72 0.00 -0.97 -1.77 105.19 101.86 2pyq n GLY 77 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2pyq n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pyq h GLY 78 N 0.00 0.81 0.62 -0.02 0.00 -1.15 -1.21 103.07 102.12 2pyq h GLY 78 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 47.33 46.73 2pyq h GLY 78 CO 0.00 0.58 -0.09 -2.22 0.00 0.00 0.00 176.54 174.81 2pyq h ILE 79 N 0.57 0.73 -0.92 2.60 2.04 -1.61 -1.01 117.51 119.91 2pyq h ILE 79 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2pyq h ILE 79 Cb 0.56 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2pyq h ILE 79 CO 0.03 0.00 0.55 1.56 0.00 0.00 0.00 178.15 180.29 2pyq h GLN 80 N -0.11 1.26 -0.02 2.37 1.08 -1.81 -1.83 115.11 116.05 2pyq h GLN 80 Ca 0.07 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2pyq h GLN 80 Cb 0.21 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2pyq h GLN 80 CO -0.18 0.89 0.01 1.03 -0.95 0.00 0.00 178.83 179.63 2pyq h SER 81 N 1.28 0.03 1.35 1.46 0.87 -0.96 -1.04 113.55 116.54 2pyq h SER 81 Ca 0.33 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 2pyq h SER 81 Cb -0.04 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2pyq h SER 81 CO -0.06 0.05 -0.37 -0.37 -0.53 0.00 0.00 176.83 175.54 2pyq h VAL 82 N 0.00 0.70 -0.37 2.23 -1.51 -0.94 -0.73 116.25 115.63 2pyq h VAL 82 Ca 0.01 -1.77 -0.02 0.00 -1.23 0.00 0.00 66.70 63.68 2pyq h VAL 82 Cb 0.03 2.18 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 2pyq h VAL 82 CO -0.00 0.37 0.14 0.40 -1.23 0.00 0.00 177.57 177.24 2pyq h ILE 83 N 0.00 1.20 -0.81 7.19 2.04 -1.18 -1.21 117.51 124.74 2pyq h ILE 83 Ca -0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2pyq h ILE 83 Cb 1.15 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2pyq h ILE 83 CO 0.05 0.22 0.45 -0.08 0.00 0.00 0.00 178.15 178.78 2pyq h GLU 84 N 0.45 1.13 -0.61 2.37 4.57 -0.88 -1.42 114.58 120.19 2pyq h GLU 84 Ca 0.12 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2pyq h GLU 84 Cb 0.21 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2pyq h GLU 84 CO -0.01 0.83 0.27 1.15 -1.18 0.00 0.00 179.01 180.08 2pyq h THR 85 N 1.13 1.22 -0.62 0.32 2.02 -0.93 -2.94 112.91 113.11 2pyq h THR 85 Ca 0.29 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 2pyq h THR 85 Cb 0.03 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2pyq h THR 85 CO -0.05 0.26 0.00 0.22 0.37 0.00 0.00 175.52 176.33 2pyq h TYR 86 N 0.84 1.19 0.00 3.16 5.03 -0.91 -3.40 116.97 122.87 2pyq h TYR 86 Ca 0.21 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2pyq h TYR 86 Cb 0.15 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.12 2pyq h TYR 86 CO 0.00 1.04 0.00 0.41 -1.32 0.00 0.00 178.16 178.29 2pyq n GLY 87 N -0.42 2.85 0.30 1.82 0.00 -0.56 -4.74 105.19 104.45 2pyq n GLY 87 Ca 0.03 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.30 2pyq n GLY 87 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pyq h ARG 88 N 0.00 0.20 -0.18 1.61 2.43 -1.74 -1.14 114.38 115.56 2pyq h ARG 88 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2pyq h ARG 88 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2pyq h ARG 88 CO 0.00 0.13 0.00 -1.13 -1.51 0.00 0.00 179.97 177.46 2pyq n SER 89 N -4.49 1.93 -4.68 -3.80 3.41 -1.26 -4.91 113.62 99.82 2pyq n SER 89 Ca 0.02 -1.74 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 2pyq n SER 89 Cb 0.19 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2pyq n SER 89 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pyq s GLU 90 N -1.77 4.19 0.24 4.33 2.56 -0.43 -4.91 118.70 122.90 2pyq s GLU 90 Ca 0.33 2.33 0.05 0.00 0.00 0.00 0.00 54.97 57.69 2pyq s GLU 90 Cb 0.18 -3.72 0.25 0.00 2.00 0.00 0.00 34.13 32.85 2pyq s GLU 90 CO 0.28 -0.77 1.56 0.00 -0.56 0.00 0.00 175.26 175.76 2pyq h ARG 91 N 8.74 0.21 -3.15 4.30 -0.00 -1.90 -3.38 114.38 119.20 2pyq h ARG 91 Ca -0.43 -0.15 -0.64 0.00 -0.50 0.00 0.00 59.98 58.27 2pyq h ARG 91 Cb 1.20 0.02 -0.40 0.00 0.00 0.00 0.00 29.97 30.79 2pyq h ARG 91 CO 0.93 0.76 -0.44 -0.80 0.00 0.00 0.00 179.97 180.42 2pyq s ASN 92 N -6.89 5.15 -0.68 7.04 0.01 -1.26 -4.99 114.94 113.32 2pyq s ASN 92 Ca -0.04 -3.83 -0.21 0.00 -0.71 0.00 0.00 52.86 48.07 2pyq s ASN 92 Cb 0.12 -1.71 0.09 0.00 0.41 0.00 0.00 41.25 40.15 2pyq s ASN 92 CO 0.79 -0.11 0.93 -0.54 -1.51 0.00 0.00 177.10 176.67 2pyq s LYS 93 N -1.44 3.16 0.21 -0.60 1.02 -1.26 -5.02 119.74 115.81 2pyq s LYS 93 Ca 0.26 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 2pyq s LYS 93 Cb -0.05 -4.33 -0.09 0.00 -0.52 0.00 0.00 37.83 32.83 2pyq s LYS 93 CO -0.16 -1.76 1.39 0.71 -0.92 0.00 0.00 175.35 174.61 2pyq s TYR 94 N 3.59 3.15 0.22 3.18 2.02 -1.26 -0.49 117.35 127.76 2pyq s TYR 94 Ca 0.21 1.07 -0.08 0.00 -0.37 0.00 0.00 57.07 57.91 2pyq s TYR 94 Cb -0.17 -3.72 0.29 0.00 -0.40 0.00 0.00 41.96 37.96 2pyq s TYR 94 CO 0.07 -2.35 1.81 -0.09 -1.57 0.00 0.00 175.55 173.42 2pyq h ARG 95 N 5.51 0.70 -0.80 -0.62 2.43 -1.33 -1.05 114.38 119.21 2pyq h ARG 95 Ca -0.45 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2pyq h ARG 95 Cb 1.21 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 2pyq h ARG 95 CO 0.79 0.46 0.48 0.00 -1.51 0.00 0.00 179.97 180.20 2pyq h ALA 96 N 1.38 1.33 -0.22 2.80 0.00 -1.91 0.15 119.26 122.80 2pyq h ALA 96 Ca 0.33 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2pyq h ALA 96 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pyq h ALA 96 CO -0.20 0.57 -0.08 0.28 0.00 0.00 0.00 179.25 179.82 2pyq h VAL 97 N 1.11 1.30 -0.36 0.00 2.07 -1.74 -0.42 116.25 118.21 2pyq h VAL 97 Ca 0.29 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2pyq h VAL 97 Cb -0.04 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2pyq h VAL 97 CO -0.05 0.34 0.24 0.58 0.02 0.00 0.00 177.57 178.69 2pyq h VAL 98 N 0.16 1.09 -0.68 2.57 2.07 -0.84 -2.88 116.25 117.74 2pyq h VAL 98 Ca 0.05 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2pyq h VAL 98 Cb 0.56 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2pyq h VAL 98 CO 0.03 0.09 0.14 1.88 0.02 0.00 0.00 177.57 179.72 2pyq h TYR 99 N 0.48 1.17 0.00 1.57 -1.99 -0.67 0.44 116.97 117.98 2pyq h TYR 99 Ca 0.13 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2pyq h TYR 99 Cb -0.05 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.35 2pyq h TYR 99 CO -0.05 0.96 0.00 0.98 -0.00 0.00 0.00 178.16 180.05 2pyq n TYR 100 N -4.22 0.00 0.00 4.88 4.19 -0.17 -1.19 117.16 120.64 2pyq n TYR 100 Ca 0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.26 2pyq n TYR 100 Cb 0.28 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.10 2pyq n TYR 100 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2pyq n LEU 102 N 0.55 0.00 -0.05 2.98 4.77 0.14 -1.62 117.00 123.77 2pyq n LEU 102 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2pyq n LEU 102 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2pyq n LEU 102 CO 0.00 0.00 0.96 0.74 -1.33 0.00 0.00 177.39 177.76 2pyq h THR 103 N 0.00 1.06 -0.59 -5.08 2.02 -1.41 -1.76 112.91 107.16 2pyq h THR 103 Ca 0.00 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 2pyq h THR 103 Cb 0.00 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2pyq h THR 103 CO 0.00 0.05 0.02 0.11 0.37 0.00 0.00 175.52 176.07 2pyq h LYS 104 N 0.28 1.03 -1.00 6.66 1.79 -1.57 -0.79 116.57 122.96 2pyq h LYS 104 Ca 0.08 -0.32 0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2pyq h LYS 104 Cb -0.03 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.47 2pyq h LYS 104 CO -0.02 1.01 0.66 1.25 -1.08 0.00 0.00 179.45 181.27 2pyq h HIS 105 N 0.92 1.25 -0.26 -1.35 2.76 -1.69 -2.20 115.15 114.57 2pyq h HIS 105 Ca 0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2pyq h HIS 105 Cb 0.53 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2pyq h HIS 105 CO 0.04 0.76 0.00 1.19 -1.30 0.00 0.00 177.93 178.62 2pyq n PHE 106 N -4.41 0.33 -3.25 5.26 3.72 -0.71 -4.96 117.46 113.44 2pyq n PHE 106 Ca 0.13 -0.16 -0.21 0.00 -0.05 0.00 0.00 57.45 57.15 2pyq n PHE 106 Cb 0.04 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.64 2pyq n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pyq n GLY 107 N 1.31 -0.38 1.63 1.37 0.00 -0.83 -4.92 105.19 103.36 2pyq n GLY 107 Ca 0.17 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 2pyq n GLY 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pyq n LYS 108 N -4.16 2.33 0.22 1.61 4.76 -0.34 -4.64 118.16 117.95 2pyq n LYS 108 Ca -0.04 -3.09 0.12 0.00 -2.87 0.00 0.00 58.31 52.43 2pyq n LYS 108 Cb 0.58 -2.00 0.70 0.00 -1.84 0.00 0.00 35.03 32.47 2pyq n LYS 108 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2pyq h GLU 109 N 1.30 0.00 -0.85 1.97 3.07 -1.92 -2.25 114.58 115.90 2pyq h GLU 109 Ca 0.35 0.00 0.23 0.00 -0.50 0.00 0.00 59.36 59.44 2pyq h GLU 109 Cb 2.16 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 30.03 2pyq h GLU 109 CO 0.67 0.00 0.60 0.66 -1.40 0.00 0.00 179.01 179.54 2pyq h SER 110 N 0.00 0.13 -0.30 1.42 4.64 -1.96 -1.65 113.55 115.84 2pyq h SER 110 Ca 0.04 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 2pyq h SER 110 Cb 0.19 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2pyq h SER 110 CO -0.00 0.05 0.21 0.58 -0.87 0.00 0.00 176.83 176.80 2pyq h VAL 111 N 0.13 0.91 -0.05 0.95 2.07 -1.78 -1.74 116.25 116.74 2pyq h VAL 111 Ca 0.42 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.90 2pyq h VAL 111 Cb 1.45 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2pyq h VAL 111 CO -0.06 0.02 0.00 -1.22 0.02 0.00 0.00 177.57 176.33 2pyq n TYR 112 N -4.47 0.03 -0.83 1.57 4.01 -0.62 -5.12 117.16 111.73 2pyq n TYR 112 Ca 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2pyq n TYR 112 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 2pyq n TYR 112 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81