#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyq s GLY 2 N 0.00 0.04 0.23 -0.02 0.00 -1.26 -5.17 107.32 101.15 2pyq s GLY 2 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 2pyq s GLY 2 CO 0.00 -0.46 1.83 1.70 0.00 0.00 0.00 173.10 176.18 2pyq h LYS 3 N 3.51 1.21 -0.05 2.90 1.63 -1.98 -1.25 116.57 122.53 2pyq h LYS 3 Ca -0.32 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.32 2pyq h LYS 3 Cb 1.19 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2pyq h LYS 3 CO 0.48 0.92 -0.02 -0.09 -3.45 0.00 0.00 179.45 177.29 2pyq h ARG 4 N 1.20 -0.02 -0.23 1.90 9.65 -1.94 0.14 114.38 125.08 2pyq h ARG 4 Ca 0.29 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.21 2pyq h ARG 4 Cb 0.11 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 2pyq h ARG 4 CO -0.04 -0.01 0.03 0.22 2.80 0.00 0.00 179.97 182.97 2pyq h ASP 5 N -0.02 -0.02 -0.77 -3.80 1.82 -1.97 -1.78 116.42 109.88 2pyq h ASP 5 Ca 0.03 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2pyq h ASP 5 Cb 0.06 0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 2pyq h ASP 5 CO -0.07 0.02 0.46 0.44 -1.61 0.00 0.00 179.24 178.49 2pyq h ASP 6 N 0.12 0.93 0.19 2.28 3.32 -0.86 -0.88 116.42 121.52 2pyq h ASP 6 Ca 0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2pyq h ASP 6 Cb 0.11 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2pyq h ASP 6 CO -0.15 0.72 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.93 2pyq h LEU 7 N 1.06 -0.22 -0.91 1.55 3.38 -0.54 -0.82 115.31 118.81 2pyq h LEU 7 Ca 0.28 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2pyq h LEU 7 Cb -0.04 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2pyq h LEU 7 CO -0.05 -0.00 0.59 0.40 0.09 0.00 0.00 178.44 179.47 2pyq h ILE 8 N -0.43 1.16 -0.76 1.22 2.04 -1.21 0.88 117.51 120.41 2pyq h ILE 8 Ca -0.03 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2pyq h ILE 8 Cb 0.33 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 2pyq h ILE 8 CO 0.04 0.21 0.47 0.00 0.00 0.00 0.00 178.15 178.88 2pyq h ALA 9 N 1.37 0.97 -0.46 1.87 0.00 -1.09 -0.91 119.26 121.02 2pyq h ALA 9 Ca 0.36 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2pyq h ALA 9 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2pyq h ALA 9 CO -0.11 0.43 0.01 0.37 0.00 0.00 0.00 179.25 179.95 2pyq h GLN 10 N 1.04 0.80 -0.42 0.00 5.75 -0.37 -0.95 115.11 120.96 2pyq h GLN 10 Ca 0.28 -0.25 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2pyq h GLN 10 Cb -0.06 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 2pyq h GLN 10 CO -0.05 0.85 0.24 1.88 -2.65 0.00 0.00 178.83 179.10 2pyq h TYR 11 N 0.66 0.44 -0.62 3.99 0.05 -0.51 0.10 116.97 121.08 2pyq h TYR 11 Ca 0.13 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 2pyq h TYR 11 Cb 0.48 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 2pyq h TYR 11 CO 0.04 0.25 0.30 0.00 -1.05 0.00 0.00 178.16 177.69 2pyq h ALA 12 N 1.20 0.80 -0.34 3.88 0.00 -1.06 -0.67 119.26 123.06 2pyq h ALA 12 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pyq h ALA 12 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2pyq h ALA 12 CO -0.09 0.35 0.16 0.22 0.00 0.00 0.00 179.25 179.90 2pyq h ASP 13 N 0.85 0.45 -0.37 0.00 1.82 -0.81 -1.37 116.42 116.99 2pyq h ASP 13 Ca 0.21 -0.13 0.05 0.00 -0.39 0.00 0.00 57.03 56.77 2pyq h ASP 13 Cb 0.11 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 39.96 2pyq h ASP 13 CO -0.03 0.45 0.11 0.44 -1.61 0.00 0.00 179.24 178.61 2pyq h ASP 14 N 0.42 0.10 -0.36 2.28 5.19 -0.62 0.21 116.42 123.64 2pyq h ASP 14 Ca 0.12 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2pyq h ASP 14 Cb 0.12 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2pyq h ASP 14 CO -0.01 0.09 0.23 -0.07 -3.12 0.00 0.00 179.24 176.36 2pyq h LEU 15 N 0.25 0.40 -0.01 1.55 3.38 -0.93 -0.62 115.31 119.34 2pyq h LEU 15 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2pyq h LEU 15 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pyq h LEU 15 CO -0.19 0.29 -0.04 -0.09 0.09 0.00 0.00 178.44 178.50 2pyq h ARG 16 N 0.48 0.04 0.00 1.13 2.43 -1.00 -2.34 114.38 115.11 2pyq h ARG 16 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2pyq h ARG 16 Cb -0.04 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2pyq h ARG 16 CO -0.04 0.70 -1.45 0.09 -1.51 0.00 0.00 179.97 177.75 2pyq n ASN 17 N -4.73 0.44 -0.11 -3.80 3.02 0.72 -3.08 115.26 107.72 2pyq n ASN 17 Ca -0.09 0.07 -0.23 0.00 -0.03 0.00 0.00 54.58 54.30 2pyq n ASN 17 Cb 0.35 1.21 -0.08 0.00 -0.61 0.00 0.00 39.78 40.64 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 -2.35 0.49 0.08 3.52 5.02 -0.35 -4.71 118.16 119.85 2pyq n LYS 18 Ca -0.01 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 2pyq n LYS 18 Cb 0.54 -1.33 0.22 0.00 -0.02 0.00 0.00 35.03 34.44 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 1.31 -0.98 2.98 0.00 0.00 -0.89 -4.96 105.19 102.66 2pyq n GLY 20 Ca 0.04 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.17 1.98 0.26 1.61 0.41 -1.26 -4.99 118.70 114.54 2pyq s GLU 22 Ca 0.10 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.59 2pyq s GLU 22 Cb -0.03 -2.34 -0.09 0.00 -1.78 0.00 0.00 34.13 29.89 2pyq s GLU 22 CO 0.42 -0.41 1.20 -1.25 -0.49 0.00 0.00 175.26 174.73 2pyq s PRO 23 N 1.43 4.51 0.62 0.39 0.04 -1.26 -5.04 135.00 135.69 2pyq s PRO 23 Ca -0.01 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2pyq s PRO 23 Cb -0.16 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.25 2pyq s PRO 23 CO -0.08 -0.01 0.88 0.34 0.04 0.00 0.00 177.00 178.17 2pyq s ASP 24 N -0.41 5.08 0.00 6.66 -1.08 -1.26 -5.07 116.67 120.60 2pyq s ASP 24 Ca 0.49 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.74 2pyq s ASP 24 Cb -0.35 -1.01 0.00 0.00 -1.46 0.00 0.00 42.92 40.11 2pyq s ASP 24 CO 0.43 -1.34 0.00 0.00 0.52 0.00 0.00 175.17 174.78 2pyq n ALA 26 N -2.61 0.00 -0.08 3.66 0.00 -1.26 -0.87 120.51 119.36 2pyq n ALA 26 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 2pyq n ALA 26 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 0.37 -1.02 0.00 5.85 -1.99 -2.40 115.31 116.12 2pyq h LEU 27 Ca 0.00 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.54 2pyq h LEU 27 Cb 0.00 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 2pyq h LEU 27 CO 0.00 0.54 0.64 0.25 -0.34 0.00 0.00 178.44 179.53 2pyq h LEU 28 N 0.19 1.01 -1.09 2.25 5.85 -1.42 0.58 115.31 122.67 2pyq h LEU 28 Ca 0.07 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2pyq h LEU 28 Cb 0.33 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2pyq h LEU 28 CO 0.00 0.63 0.22 -0.33 -0.34 0.00 0.00 178.44 178.62 2pyq h GLU 29 N 1.14 0.86 -0.22 1.25 3.07 -1.78 -0.50 114.58 118.39 2pyq h GLU 29 Ca 0.44 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 59.09 2pyq h GLU 29 Cb 0.23 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2pyq h GLU 29 CO -0.19 0.72 -0.16 0.87 -1.40 0.00 0.00 179.01 178.85 2pyq h LYS 30 N 0.85 0.50 -0.94 2.33 1.57 -0.72 -1.61 116.57 118.55 2pyq h LYS 30 Ca 0.20 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2pyq h LYS 30 Cb 0.19 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2pyq h LYS 30 CO -0.02 0.80 0.62 0.28 -0.57 0.00 0.00 179.45 180.57 2pyq h VAL 31 N 0.20 1.24 -0.50 0.50 2.07 -0.76 -2.26 116.25 116.74 2pyq h VAL 31 Ca 0.04 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2pyq h VAL 31 Cb 0.68 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2pyq h VAL 31 CO 0.04 0.24 0.15 0.74 0.02 0.00 0.00 177.57 178.76 2pyq h THR 32 N 1.28 1.23 -0.45 2.57 2.02 -0.95 -2.12 112.91 116.48 2pyq h THR 32 Ca 0.34 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.81 2pyq h THR 32 Cb -0.14 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 2pyq h THR 32 CO -0.07 0.28 0.13 0.11 0.37 0.00 0.00 175.52 176.34 2pyq h LYS 33 N 0.68 0.28 -0.41 6.66 1.57 -1.08 -2.20 116.57 122.07 2pyq h LYS 33 Ca 0.16 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2pyq h LYS 33 Cb 0.28 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2pyq h LYS 33 CO -0.00 0.18 0.28 0.78 -0.57 0.00 0.00 179.45 180.12 2pyq h GLY 34 N 0.29 0.44 2.00 3.86 0.00 -1.05 -1.52 103.07 107.08 2pyq h GLY 34 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2pyq h GLY 34 CO -0.25 0.12 -0.15 0.00 0.00 0.00 0.00 176.54 176.26 2pyq n GLY 36 N 0.13 0.27 3.67 0.00 0.00 -0.57 -5.05 105.19 103.63 2pyq n GLY 36 Ca 0.00 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 2pyq n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pyq s PRO 37 N 0.00 0.93 0.40 1.61 0.04 -1.26 -4.64 135.00 132.08 2pyq s PRO 37 Ca 0.00 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 2pyq s PRO 37 Cb 0.00 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 2pyq s PRO 37 CO 0.00 -2.56 1.31 0.00 0.04 0.00 0.00 177.00 175.79 2pyq n ALA 38 N -4.15 1.47 -3.09 8.56 0.00 -1.26 -4.98 120.51 117.07 2pyq n ALA 38 Ca 0.08 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 2pyq n ALA 38 Cb 0.53 -2.29 -0.12 0.00 0.00 0.00 0.00 19.45 17.57 2pyq n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2pyq s ILE 39 N -1.16 4.02 -0.06 0.00 1.09 -1.26 -4.97 121.20 118.85 2pyq s ILE 39 Ca 0.59 -0.29 0.13 0.00 -1.10 0.00 0.00 60.65 59.98 2pyq s ILE 39 Cb -0.52 -2.82 -0.20 0.00 -1.06 0.00 0.00 42.46 37.86 2pyq s ILE 39 CO 0.60 0.42 0.76 1.88 -0.10 0.00 0.00 174.94 178.50 2pyq h TYR 40 N 7.55 0.00 -2.52 3.97 -1.99 -1.98 -3.44 116.97 118.56 2pyq h TYR 40 Ca -0.36 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 59.78 2pyq h TYR 40 Cb 1.18 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.80 2pyq h TYR 40 CO 0.60 0.88 0.81 1.21 -0.00 0.00 0.00 178.16 181.65 2pyq s ASN 41 N -6.05 6.17 0.32 3.88 2.47 -1.26 -4.93 114.94 115.54 2pyq s ASN 41 Ca -0.04 -0.70 0.10 0.00 0.42 0.00 0.00 52.86 52.65 2pyq s ASN 41 Cb 0.08 -2.49 0.93 0.00 -1.45 0.00 0.00 41.25 38.32 2pyq s ASN 41 CO 0.82 -1.64 1.70 0.08 -3.72 0.00 0.00 177.10 174.34 2pyq h ARG 42 N 9.80 0.44 -0.71 0.43 0.11 -2.01 -1.06 114.38 121.38 2pyq h ARG 42 Ca -0.28 -0.03 0.09 0.00 0.10 0.00 0.00 59.98 59.86 2pyq h ARG 42 Cb 1.06 -0.10 -0.05 0.00 1.11 0.00 0.00 29.97 31.99 2pyq h ARG 42 CO 1.23 0.29 0.47 -0.44 0.10 0.00 0.00 179.97 181.62 2pyq h ASP 43 N 0.45 0.57 1.66 0.08 3.32 -1.95 -2.38 116.42 118.16 2pyq h ASP 43 Ca 0.66 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.72 2pyq h ASP 43 Cb 1.36 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2pyq h ASP 43 CO -0.54 0.35 -0.12 0.00 -1.72 0.00 0.00 179.24 177.21 2pyq h ALA 44 N 1.63 0.93 -0.02 3.45 0.00 -1.61 -3.31 119.26 120.33 2pyq h ALA 44 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2pyq h ALA 44 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pyq h ALA 44 CO -0.11 0.00 -0.15 -1.13 0.00 0.00 0.00 179.25 177.86 2pyq n SER 45 N -2.70 2.09 -4.60 0.00 3.41 -0.90 -4.98 113.62 105.94 2pyq n SER 45 Ca 0.04 -1.59 -0.25 0.00 -0.26 0.00 0.00 58.87 56.81 2pyq n SER 45 Cb 0.49 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 2pyq n SER 45 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pyq s THR 46 N -2.19 3.32 -0.14 6.66 -4.23 -1.21 -0.69 115.64 117.15 2pyq s THR 46 Ca 0.28 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 2pyq s THR 46 Cb 0.20 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2pyq s THR 46 CO 0.41 -0.20 0.03 -0.69 -0.54 0.00 0.00 174.62 173.62 2pyq s VAL 47 N -1.92 4.48 -0.80 2.29 1.01 0.79 -4.75 120.40 121.51 2pyq s VAL 47 Ca 0.27 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 2pyq s VAL 47 Cb -0.08 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.37 2pyq s VAL 47 CO 0.17 0.52 1.30 0.00 0.00 0.00 0.00 175.10 177.09 2pyq s ALA 48 N -0.07 2.77 0.57 5.51 0.00 -1.26 -4.44 121.76 124.84 2pyq s ALA 48 Ca 0.05 -1.62 0.25 0.00 0.00 0.00 0.00 51.96 50.64 2pyq s ALA 48 Cb -0.12 -4.29 1.61 0.00 0.00 0.00 0.00 23.12 20.31 2pyq s ALA 48 CO 0.02 -3.33 2.18 0.78 0.00 0.00 0.00 175.76 175.41 2pyq h GLY 49 N 12.84 0.00 -2.42 0.00 0.00 -1.95 -2.26 103.07 109.28 2pyq h GLY 49 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2pyq h GLY 49 CO 1.30 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.70 2pyq n SER 50 N -4.07 3.57 -4.45 0.19 3.41 -1.26 -4.89 113.62 106.12 2pyq n SER 50 Ca -0.02 -2.09 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 2pyq n SER 50 Cb 0.16 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.55 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 -0.96 5.93 0.16 4.04 2.15 -0.85 -4.98 116.67 122.15 2pyq s ASP 51 Ca 0.43 -0.79 -0.17 0.00 0.43 0.00 0.00 52.55 52.44 2pyq s ASP 51 Cb 0.24 -2.10 0.07 0.00 -0.30 0.00 0.00 42.92 40.83 2pyq s ASP 51 CO 0.27 -0.36 1.71 0.74 -0.17 0.00 0.00 175.17 177.36 2pyq h THR 52 N 5.68 0.76 -0.81 1.71 2.02 -1.90 -2.36 112.91 118.01 2pyq h THR 52 Ca -0.28 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2pyq h THR 52 Cb 1.13 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 2pyq h THR 52 CO 0.68 0.02 0.43 0.00 0.37 0.00 0.00 175.52 177.02 2pyq h ALA 53 N 1.29 1.23 -0.43 6.16 0.00 -1.97 -0.73 119.26 124.82 2pyq h ALA 53 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pyq h ALA 53 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2pyq h ALA 53 CO -0.27 0.61 0.28 1.49 0.00 0.00 0.00 179.25 181.37 2pyq h GLU 54 N 1.13 0.56 -0.44 0.00 4.57 -1.79 -1.44 114.58 117.18 2pyq h GLU 54 Ca 0.28 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.30 2pyq h GLU 54 Cb 0.05 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2pyq h GLU 54 CO -0.04 0.37 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.86 2pyq h LEU 55 N 0.58 0.92 -1.36 1.64 3.38 -1.05 -1.92 115.31 117.49 2pyq h LEU 55 Ca 0.16 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2pyq h LEU 55 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2pyq h LEU 55 CO -0.04 1.11 0.19 -0.33 0.09 0.00 0.00 178.44 179.47 2pyq h GLU 56 N 0.78 0.63 -0.35 1.13 4.39 -0.91 -1.22 114.58 119.03 2pyq h GLU 56 Ca 0.10 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2pyq h GLU 56 Cb 0.79 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2pyq h GLU 56 CO 0.07 0.51 -0.38 1.15 -1.16 0.00 0.00 179.01 179.19 2pyq h THR 57 N 0.63 1.28 -0.49 1.13 2.02 -1.04 -0.53 112.91 115.91 2pyq h THR 57 Ca 0.16 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 2pyq h THR 57 Cb 0.10 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2pyq h THR 57 CO -0.02 0.52 0.26 0.40 0.37 0.00 0.00 175.52 177.05 2pyq h ILE 58 N 0.69 1.18 0.13 3.11 2.04 -1.08 -0.59 117.51 122.97 2pyq h ILE 58 Ca 0.05 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2pyq h ILE 58 Cb 0.98 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2pyq h ILE 58 CO 0.09 0.19 -0.06 0.50 0.00 0.00 0.00 178.15 178.87 2pyq h LYS 59 N 0.65 -0.17 -0.12 2.37 3.64 -1.13 -0.62 116.57 121.18 2pyq h LYS 59 Ca 0.17 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2pyq h LYS 59 Cb 0.07 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2pyq h LYS 59 CO -0.03 -0.05 -0.06 0.87 -2.27 0.00 0.00 179.45 177.91 2pyq h LYS 60 N -0.24 0.26 0.10 1.90 1.57 -1.01 -3.07 116.57 116.07 2pyq h LYS 60 Ca -0.02 -0.11 -0.36 0.00 -1.87 0.00 0.00 60.65 58.29 2pyq h LYS 60 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2pyq h LYS 60 CO 0.03 0.59 -1.99 0.09 -0.57 0.00 0.00 179.45 177.60 2pyq n ASN 61 N -4.69 1.93 -0.07 0.86 3.02 -0.24 -2.31 115.26 113.77 2pyq n ASN 61 Ca -0.06 0.21 -0.07 0.00 -0.03 0.00 0.00 54.58 54.63 2pyq n ASN 61 Cb 0.28 -0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 2pyq n ASN 61 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2pyq h PHE 62 N 0.06 0.00 0.00 3.10 3.57 -1.26 -2.59 116.94 119.82 2pyq h PHE 62 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2pyq h PHE 62 Cb 2.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.77 2pyq h PHE 62 CO 0.06 0.26 0.00 1.28 -2.23 0.00 0.00 178.31 177.68 2pyq n LEU 63 N -4.60 0.00 0.00 0.59 4.77 -0.60 -0.93 117.00 116.24 2pyq n LEU 63 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2pyq n LEU 63 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2pyq n LEU 63 CO 0.11 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.46 2pyq n LYS 65 N -0.67 0.00 -0.02 3.23 5.02 -0.98 -1.69 118.16 123.06 2pyq n LYS 65 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.16 2pyq n LYS 65 Cb 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.89 2pyq n LYS 65 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2pyq h LYS 66 N 0.00 0.14 0.00 1.97 1.57 -0.99 -3.34 116.57 115.91 2pyq h LYS 66 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2pyq h LYS 66 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2pyq h LYS 66 CO 0.00 1.10 -0.25 1.28 -0.57 0.00 0.00 179.45 181.00 2pyq n LEU 67 N -4.40 0.49 -1.00 2.94 4.77 -0.10 -4.97 117.00 114.72 2pyq n LEU 67 Ca -0.12 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 2pyq n LEU 67 Cb 0.62 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2pyq n LEU 67 CO 0.40 -0.04 -0.11 0.61 -1.33 0.00 0.00 177.39 176.92 2pyq n GLY 68 N 1.41 0.23 3.86 -0.72 0.00 -1.05 -5.02 105.19 103.90 2pyq n GLY 68 Ca 0.05 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.60 3.85 0.08 0.99 1.43 -0.68 -5.03 118.68 116.71 2pyq s LEU 69 Ca 0.00 1.28 -0.29 0.00 -1.03 0.00 0.00 54.13 54.09 2pyq s LEU 69 Cb 0.00 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 2pyq s LEU 69 CO 0.00 -0.39 0.92 0.00 0.23 0.00 0.00 176.35 177.11 2pyq s ALA 70 N -2.33 3.26 -0.05 4.21 0.00 -1.26 -4.85 121.76 120.74 2pyq s ALA 70 Ca 0.54 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 2pyq s ALA 70 Cb -0.10 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2pyq s ALA 70 CO 0.27 -0.04 2.00 -3.47 0.00 0.00 0.00 175.76 174.53 2pyq n ASP 71 N 2.96 3.76 -3.63 0.00 -0.08 -1.26 -4.82 116.55 113.47 2pyq n ASP 71 Ca 0.02 0.79 -0.04 0.00 -1.51 0.00 0.00 54.79 54.05 2pyq n ASP 71 Cb 0.50 -1.48 -0.01 0.00 2.34 0.00 0.00 41.12 42.46 2pyq n ASP 71 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2pyq s SER 72 N 5.09 -0.21 0.52 1.67 1.04 -1.26 -5.03 113.70 115.51 2pyq s SER 72 Ca 0.93 -0.18 0.17 0.00 0.48 0.00 0.00 55.95 57.35 2pyq s SER 72 Cb -0.51 0.36 1.30 0.00 0.10 0.00 0.00 66.02 67.27 2pyq s SER 72 CO 0.44 -0.63 2.14 1.05 0.98 0.00 0.00 173.24 177.22 2pyq h GLU 73 N 2.00 0.00 -0.25 4.02 4.11 -2.06 -2.12 114.58 120.28 2pyq h GLU 73 Ca -0.23 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.27 2pyq h GLU 73 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2pyq h GLU 73 CO 0.27 0.02 0.22 0.66 0.07 0.00 0.00 179.01 180.25 2pyq h SER 74 N 0.00 0.00 0.00 3.06 4.64 -1.96 -1.12 113.55 118.17 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 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 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 -4.11 0.06 0.00 5.97 4.77 -0.80 -0.54 117.00 122.35 2pyq n LEU 75 Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pyq n LEU 75 Cb 0.36 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2pyq n LEU 75 CO 0.31 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2pyq n GLY 77 N 0.02 0.00 0.20 -0.72 0.00 -0.43 -1.76 105.19 102.50 2pyq n GLY 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.66 0.98 -0.02 0.00 -1.06 -0.88 103.07 102.76 2pyq h GLY 78 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2pyq h GLY 78 CO 0.00 0.44 0.18 -2.22 0.00 0.00 0.00 176.54 174.94 2pyq h ILE 79 N 0.44 1.10 -0.91 2.60 2.04 -1.60 -1.62 117.51 119.56 2pyq h ILE 79 Ca 0.10 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2pyq h ILE 79 Cb 0.42 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2pyq h ILE 79 CO 0.01 0.10 0.54 1.56 0.00 0.00 0.00 178.15 180.36 2pyq h GLN 80 N 0.38 1.24 -0.30 2.37 4.20 -1.81 -1.68 115.11 119.51 2pyq h GLN 80 Ca 0.11 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2pyq h GLN 80 Cb 0.00 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2pyq h GLN 80 CO -0.02 0.88 0.16 1.03 -0.67 0.00 0.00 178.83 180.20 2pyq h SER 81 N 1.25 0.39 -0.51 1.46 0.87 -0.87 -0.92 113.55 115.22 2pyq h SER 81 Ca 0.32 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2pyq h SER 81 Cb -0.03 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2pyq h SER 81 CO -0.06 0.39 0.20 0.58 -0.53 0.00 0.00 176.83 177.41 2pyq h VAL 82 N 0.36 1.22 -0.55 2.23 2.07 -1.05 -0.29 116.25 120.23 2pyq h VAL 82 Ca 0.11 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 2pyq h VAL 82 Cb 0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2pyq h VAL 82 CO -0.02 0.25 0.03 0.40 0.02 0.00 0.00 177.57 178.25 2pyq h ILE 83 N 0.68 1.26 -0.47 4.57 1.08 -1.18 -0.65 117.51 122.80 2pyq h ILE 83 Ca 0.17 -1.07 -0.03 0.00 -0.39 0.00 0.00 64.86 63.54 2pyq h ILE 83 Cb 0.20 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2pyq h ILE 83 CO -0.01 0.38 0.18 -0.08 -0.69 0.00 0.00 178.15 177.93 2pyq h GLU 84 N 0.83 0.71 -0.55 2.37 4.57 -0.94 -1.60 114.58 119.97 2pyq h GLU 84 Ca 0.16 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2pyq h GLU 84 Cb 0.50 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 2pyq h GLU 84 CO 0.02 0.65 0.34 1.15 -1.18 0.00 0.00 179.01 179.99 2pyq h THR 85 N 0.62 1.07 -0.86 0.32 2.02 -0.86 -2.63 112.91 112.58 2pyq h THR 85 Ca 0.15 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2pyq h THR 85 Cb 0.21 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2pyq h THR 85 CO -0.01 0.12 0.43 0.22 0.37 0.00 0.00 175.52 176.65 2pyq h TYR 86 N 0.67 1.22 0.00 3.16 5.03 -0.95 -3.40 116.97 122.70 2pyq h TYR 86 Ca 0.22 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2pyq h TYR 86 Cb 0.01 -0.38 0.00 0.00 1.55 0.00 0.00 36.73 37.91 2pyq h TYR 86 CO -0.06 0.87 0.00 0.41 -1.32 0.00 0.00 178.16 178.06 2pyq n GLY 87 N -1.06 3.92 0.30 1.82 0.00 -0.62 -4.73 105.19 104.82 2pyq n GLY 87 Ca 0.09 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.85 2pyq n GLY 87 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pyq h ARG 88 N 0.00 0.44 0.00 1.61 -0.00 -1.75 -2.20 114.38 112.48 2pyq h ARG 88 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2pyq h ARG 88 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 29.87 2pyq h ARG 88 CO 0.00 0.31 0.00 0.43 0.00 0.00 0.00 179.97 180.71 2pyq n SER 89 N -4.47 0.00 -4.62 7.04 7.64 -1.26 -4.82 113.62 113.14 2pyq n SER 89 Ca 0.02 0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.67 2pyq n SER 89 Cb 0.08 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 2pyq n SER 89 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2pyq s GLU 90 N -2.79 3.93 0.00 1.43 2.56 -0.83 -4.92 118.70 118.09 2pyq s GLU 90 Ca 0.19 0.74 0.25 0.00 0.00 0.00 0.00 54.97 56.15 2pyq s GLU 90 Cb 0.18 -3.77 0.44 0.00 2.00 0.00 0.00 34.13 32.97 2pyq s GLU 90 CO 0.45 -0.89 1.37 0.54 -0.56 0.00 0.00 175.26 176.16 2pyq n ARG 91 N 6.72 0.00 -3.50 4.30 1.74 -1.26 -4.39 116.66 120.27 2pyq n ARG 91 Ca 0.08 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.88 2pyq n ARG 91 Cb 0.48 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 2pyq n ARG 91 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pyq n ASN 92 N -1.51 3.82 -4.49 0.55 3.02 -1.26 -4.99 115.26 110.41 2pyq n ASN 92 Ca 0.05 -3.39 -0.43 0.00 -0.03 0.00 0.00 54.58 50.79 2pyq n ASN 92 Cb 0.34 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 2pyq n ASN 92 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2pyq s LYS 93 N -2.26 3.18 0.16 3.52 1.02 -1.26 -5.00 119.74 119.10 2pyq s LYS 93 Ca 0.36 -0.59 -0.31 0.00 0.02 0.00 0.00 55.97 55.45 2pyq s LYS 93 Cb 0.10 -4.18 -0.09 0.00 -0.52 0.00 0.00 37.83 33.14 2pyq s LYS 93 CO -0.04 -1.81 1.38 0.71 -0.92 0.00 0.00 175.35 174.68 2pyq s TYR 94 N 4.36 3.21 0.34 3.18 2.02 -1.26 -0.15 117.35 129.05 2pyq s TYR 94 Ca 0.26 1.02 0.03 0.00 -0.37 0.00 0.00 57.07 58.01 2pyq s TYR 94 Cb -0.14 -3.69 0.60 0.00 -0.40 0.00 0.00 41.96 38.33 2pyq s TYR 94 CO 0.13 -2.34 1.94 -0.09 -1.57 0.00 0.00 175.55 173.62 2pyq h ARG 95 N 6.10 0.72 -1.00 -0.62 2.43 -1.20 -1.62 114.38 119.19 2pyq h ARG 95 Ca -0.43 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2pyq h ARG 95 Cb 1.21 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 2pyq h ARG 95 CO 0.83 0.57 0.66 0.00 -1.51 0.00 0.00 179.97 180.52 2pyq h ALA 96 N 1.54 1.30 -0.28 2.80 0.00 -1.91 0.10 119.26 122.81 2pyq h ALA 96 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2pyq h ALA 96 Cb 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2pyq h ALA 96 CO -0.02 0.63 -0.14 0.28 0.00 0.00 0.00 179.25 180.00 2pyq h VAL 97 N 1.33 1.30 -0.21 0.00 2.07 -1.75 -0.03 116.25 118.95 2pyq h VAL 97 Ca 0.37 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2pyq h VAL 97 Cb -0.11 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2pyq h VAL 97 CO -0.09 0.39 0.08 0.58 0.02 0.00 0.00 177.57 178.55 2pyq h VAL 98 N 0.33 0.96 -0.66 2.57 2.07 -0.90 -2.90 116.25 117.72 2pyq h VAL 98 Ca 0.06 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2pyq h VAL 98 Cb 0.66 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2pyq h VAL 98 CO 0.04 0.03 0.16 1.88 0.02 0.00 0.00 177.57 179.70 2pyq h TYR 99 N 0.18 1.09 0.00 1.57 -1.99 -0.74 -0.73 116.97 116.36 2pyq h TYR 99 Ca 0.09 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2pyq h TYR 99 Cb 0.05 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.47 2pyq h TYR 99 CO -0.11 0.89 0.00 0.98 -0.00 0.00 0.00 178.16 179.92 2pyq n TYR 100 N -4.24 0.00 0.00 4.88 4.19 -0.03 -1.35 117.16 120.61 2pyq n TYR 100 Ca 0.05 -0.01 0.00 0.00 3.31 0.00 0.00 57.90 61.25 2pyq n TYR 100 Cb 0.25 -0.02 0.00 0.00 0.49 0.00 0.00 39.34 40.06 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 0.54 0.00 -0.09 2.98 4.77 -0.28 -1.67 117.00 123.25 2pyq n LEU 102 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2pyq n LEU 102 Cb 0.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2pyq n LEU 102 CO 0.00 0.00 0.99 0.74 -1.33 0.00 0.00 177.39 177.79 2pyq h THR 103 N 0.00 1.04 -0.33 -5.08 2.02 -1.47 -1.85 112.91 107.24 2pyq h THR 103 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2pyq h THR 103 Cb 0.00 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2pyq h THR 103 CO 0.00 0.07 0.12 0.11 0.37 0.00 0.00 175.52 176.19 2pyq h LYS 104 N 0.39 0.50 -0.97 6.66 1.79 -1.58 -0.66 116.57 122.70 2pyq h LYS 104 Ca 0.13 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 58.61 2pyq h LYS 104 Cb -0.01 -0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 30.49 2pyq h LYS 104 CO -0.06 0.51 0.60 1.25 -1.08 0.00 0.00 179.45 180.68 2pyq h HIS 105 N 0.38 1.10 -0.19 -1.35 2.76 -1.71 -2.12 115.15 114.02 2pyq h HIS 105 Ca 0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2pyq h HIS 105 Cb 0.21 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2pyq h HIS 105 CO -0.00 0.46 0.00 1.19 -1.30 0.00 0.00 177.93 178.28 2pyq n PHE 106 N -4.62 0.23 -2.66 5.26 3.72 -0.74 -4.97 117.46 113.68 2pyq n PHE 106 Ca 0.17 -0.11 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 2pyq n PHE 106 Cb 0.31 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.32 -0.32 1.71 1.37 0.00 -0.80 -4.94 105.19 103.54 2pyq n GLY 107 Ca 0.17 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.12 2.63 -0.23 1.61 4.76 -0.30 -4.71 118.16 118.79 2pyq n LYS 108 Ca -0.14 -3.07 0.23 0.00 -2.87 0.00 0.00 58.31 52.46 2pyq n LYS 108 Cb 0.62 -2.05 0.58 0.00 -1.84 0.00 0.00 35.03 32.34 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 1.57 0.27 0.00 1.97 3.07 -1.92 -2.14 114.58 117.39 2pyq h GLU 109 Ca 0.34 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2pyq h GLU 109 Cb 2.22 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 30.07 2pyq h GLU 109 CO 0.70 0.18 -0.05 0.66 -1.40 0.00 0.00 179.01 179.10 2pyq h SER 110 N 0.27 0.00 0.13 1.42 4.64 -1.95 -2.65 113.55 115.41 2pyq h SER 110 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2pyq h SER 110 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2pyq h SER 110 CO -0.14 0.05 -0.01 -0.37 -0.87 0.00 0.00 176.83 175.49 2pyq h VAL 111 N 0.00 0.18 -0.00 0.95 -1.51 -1.76 -1.61 116.25 112.49 2pyq h VAL 111 Ca -0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2pyq h VAL 111 Cb 0.19 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2pyq h VAL 111 CO 0.01 0.01 -0.06 -1.22 -1.23 0.00 0.00 177.57 175.07 2pyq n TYR 112 N -3.31 0.00 -0.82 5.19 4.01 -1.00 -5.12 117.16 116.11 2pyq n TYR 112 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2pyq n TYR 112 Cb 0.11 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2pyq n TYR 112 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81