#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq n SER 7 N 0.00 0.00 0.08 4.52 2.88 -1.26 -4.81 113.62 115.02 1sqq n SER 7 Ca 0.00 -0.21 0.07 0.00 -1.33 0.00 0.00 58.87 57.40 1sqq n SER 7 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 1sqq n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqq n ALA 8 N -3.00 1.24 -0.03 -1.46 0.00 -1.26 -2.99 120.51 113.00 1sqq n ALA 8 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 1sqq n ALA 8 Cb 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 1sqq n ALA 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1sqq n SER 9 N -1.88 1.66 0.11 0.00 7.64 -1.26 -3.70 113.62 116.18 1sqq n SER 9 Ca 0.00 0.17 0.10 0.00 1.01 0.00 0.00 58.87 60.16 1sqq n SER 9 Cb 0.08 -0.46 0.46 0.00 -1.01 0.00 0.00 64.21 63.28 1sqq n SER 9 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1sqq n SER 10 N -3.29 0.52 -0.16 6.43 7.64 -1.16 -1.95 113.62 121.65 1sqq n SER 10 Ca -0.31 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.34 1sqq n SER 10 Cb 1.05 -0.75 0.19 0.00 -1.01 0.00 0.00 64.21 63.69 1sqq n SER 10 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1sqq n ARG 11 N -2.10 0.47 -0.04 1.43 1.85 -1.25 -1.16 116.66 115.87 1sqq n ARG 11 Ca 0.02 -0.32 -0.14 0.00 -1.00 0.00 0.00 57.85 56.41 1sqq n ARG 11 Cb 0.17 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 29.98 1sqq n ARG 11 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 1sqq h TRP 12 N 0.78 0.10 -0.81 2.89 -0.00 -1.47 -1.70 115.95 115.73 1sqq h TRP 12 Ca 0.00 -0.05 0.15 0.00 -0.00 0.00 0.00 58.89 58.99 1sqq h TRP 12 Cb 0.54 -0.01 -0.10 0.00 -0.00 0.00 0.00 29.16 29.59 1sqq h TRP 12 CO 0.00 0.81 0.38 1.25 -0.00 0.00 0.00 178.44 180.87 1sqq h LEU 13 N -0.63 0.41 -1.37 0.65 5.85 -1.52 0.44 115.31 119.14 1sqq h LEU 13 Ca -0.01 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1sqq h LEU 13 Cb 0.83 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1sqq h LEU 13 CO 0.02 0.15 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.14 1sqq h GLU 14 N 0.53 0.35 -0.12 1.25 4.57 -1.27 -0.01 114.58 119.88 1sqq h GLU 14 Ca 0.45 -0.07 -0.19 0.00 -1.18 0.00 0.00 59.36 58.37 1sqq h GLU 14 Cb 0.68 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1sqq h GLU 14 CO -0.39 0.42 -0.71 0.78 -1.18 0.00 0.00 179.01 177.93 1sqq h GLY 15 N 0.74 0.62 0.47 1.92 0.00 0.02 -1.70 103.07 105.13 1sqq h GLY 15 Ca 0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1sqq h GLY 15 CO 0.01 0.75 -0.09 -2.22 0.00 0.00 0.00 176.54 174.99 1sqq h ILE 16 N 0.39 0.84 -0.91 2.60 1.08 0.07 -1.58 117.51 120.01 1sqq h ILE 16 Ca -0.03 -0.96 0.13 0.00 -0.39 0.00 0.00 64.86 63.60 1sqq h ILE 16 Cb 1.30 1.35 -0.14 0.00 -3.07 0.00 0.00 36.82 36.26 1sqq h ILE 16 CO 0.13 0.19 -0.39 0.54 -0.69 0.00 0.00 178.15 177.93 1sqq n ARG 17 N -4.98 -0.25 0.21 2.37 1.74 -0.05 -1.08 116.66 114.62 1sqq n ARG 17 Ca -0.08 1.39 0.05 0.00 -0.77 0.00 0.00 57.85 58.44 1sqq n ARG 17 Cb 0.26 -2.07 0.47 0.00 -1.02 0.00 0.00 32.46 30.11 1sqq n ARG 17 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1sqq h LYS 18 N 0.00 0.01 -0.11 5.56 3.64 -1.23 -0.76 116.57 123.68 1sqq h LYS 18 Ca 0.28 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1sqq h LYS 18 Cb 0.51 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1sqq h LYS 18 CO -0.89 0.22 -0.08 2.35 -2.27 0.00 0.00 179.45 178.78 1sqq h TRP 19 N 0.01 0.29 -0.12 1.91 7.01 -0.19 -2.56 115.95 122.30 1sqq h TRP 19 Ca 0.00 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 1sqq h TRP 19 Cb 0.38 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1sqq h TRP 19 CO 0.00 0.63 -0.02 -0.92 -2.79 0.00 0.00 178.44 175.34 1sqq h TYR 20 N -0.13 0.25 -0.83 2.65 3.20 -0.48 0.11 116.97 121.74 1sqq h TYR 20 Ca 0.02 -0.05 0.13 0.00 3.14 0.00 0.00 58.73 61.97 1sqq h TYR 20 Cb 0.56 -0.06 -0.13 0.00 1.54 0.00 0.00 36.73 38.64 1sqq h TYR 20 CO 0.08 0.52 -0.32 0.98 -1.64 0.00 0.00 178.16 177.77 1sqq n TYR 21 N -4.75 0.04 0.11 -3.82 9.36 -0.35 0.65 117.16 118.41 1sqq n TYR 21 Ca -0.06 1.02 -0.02 0.00 3.32 0.00 0.00 57.90 62.16 1sqq n TYR 21 Cb 0.24 -0.82 0.19 0.00 -0.63 0.00 0.00 39.34 38.32 1sqq n TYR 21 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1sqq h ASN 22 N 0.00 0.16 -0.14 2.98 4.21 -0.58 -2.67 115.58 119.53 1sqq h ASN 22 Ca 0.29 -0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.65 1sqq h ASN 22 Cb 0.50 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1sqq h ASN 22 CO -0.83 0.65 -0.21 0.00 -1.29 0.00 0.00 177.43 175.75 1sqq h ALA 23 N 1.35 0.22 -0.80 -0.83 0.00 0.26 -3.01 119.26 116.44 1sqq h ALA 23 Ca 0.00 -0.37 0.19 0.00 0.00 0.00 0.00 54.91 54.74 1sqq h ALA 23 Cb 0.96 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 1sqq h ALA 23 CO 0.08 0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.61 1sqq h ALA 24 N 0.57 0.99 -0.53 0.00 0.00 0.42 -3.46 119.26 117.26 1sqq h ALA 24 Ca 0.01 0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 24 Cb 0.78 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1sqq h ALA 24 CO 0.05 -0.43 -0.17 0.41 0.00 0.00 0.00 179.25 179.12 1sqq n GLY 25 N -1.40 0.87 0.21 0.00 0.00 -1.03 -4.90 105.19 98.96 1sqq n GLY 25 Ca 0.17 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.63 1sqq n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1sqq h PHE 26 N 0.00 0.00 -0.03 1.61 -0.00 -1.89 -3.17 116.94 113.46 1sqq h PHE 26 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.71 1sqq h PHE 26 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.59 1sqq h PHE 26 CO 0.24 0.27 -0.37 -2.95 -0.00 0.00 0.00 178.31 175.50 1sqq h ASN 27 N 0.00 0.06 -0.18 -0.68 -1.07 -1.87 -1.85 115.58 109.99 1sqq h ASN 27 Ca -0.00 -0.02 0.05 0.00 0.07 0.00 0.00 56.30 56.40 1sqq h ASN 27 Cb 0.71 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.94 1sqq h ASN 27 CO 0.04 0.43 0.22 0.11 0.07 0.00 0.00 177.43 178.30 1sqq h LYS 28 N 0.05 0.00 -0.68 4.14 1.57 -1.88 -0.52 116.57 119.25 1sqq h LYS 28 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1sqq h LYS 28 Cb 0.68 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.71 1sqq h LYS 28 CO 0.05 0.00 -0.09 1.28 -0.57 0.00 0.00 179.45 180.12 1sqq n LEU 29 N -3.68 5.40 0.00 2.94 4.77 -0.76 -1.54 117.00 124.12 1sqq n LEU 29 Ca 0.02 -4.26 0.00 0.00 -0.03 0.00 0.00 56.01 51.73 1sqq n LEU 29 Cb 0.34 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1sqq n LEU 29 CO 0.26 1.62 0.00 0.61 -1.33 0.00 0.00 177.39 178.55 1sqq n GLY 30 N -0.93 0.22 3.80 -0.72 0.00 -0.23 -4.38 105.19 102.96 1sqq n GLY 30 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 1sqq n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqq s LEU 31 N 0.00 4.42 0.45 0.99 1.43 -0.79 -4.83 118.68 120.35 1sqq s LEU 31 Ca 0.00 1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 54.55 1sqq s LEU 31 Cb 0.00 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1sqq s LEU 31 CO 0.00 0.09 0.74 -0.04 0.23 0.00 0.00 176.35 177.38 1sqq s MET 32 N -1.70 3.57 0.24 1.70 -1.94 -1.26 -4.05 119.30 115.86 1sqq s MET 32 Ca 0.40 0.16 -0.05 0.00 -1.71 0.00 0.00 55.69 54.49 1sqq s MET 32 Cb -0.19 -2.43 0.46 0.00 2.01 0.00 0.00 34.83 34.69 1sqq s MET 32 CO 0.22 -0.12 1.70 -0.09 -0.01 0.00 0.00 175.02 176.72 1sqq h ARG 33 N 0.48 0.30 0.00 2.03 2.43 -1.90 -2.34 114.38 115.38 1sqq h ARG 33 Ca -0.47 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.61 1sqq h ARG 33 Cb 1.20 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1sqq h ARG 33 CO 0.62 0.20 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.52 1sqq h ASP 34 N 0.31 0.00 -1.05 -3.80 3.45 -1.94 -1.43 116.42 111.96 1sqq h ASP 34 Ca 0.41 0.00 0.31 0.00 0.43 0.00 0.00 57.03 58.18 1sqq h ASP 34 Cb 0.69 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.42 1sqq h ASP 34 CO -0.48 0.32 0.77 0.44 -1.57 0.00 0.00 179.24 178.72 1sqq h ASP 35 N 0.00 0.00 0.24 6.45 3.45 -1.80 -3.17 116.42 121.58 1sqq h ASP 35 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1sqq h ASP 35 Cb 0.78 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 1sqq h ASP 35 CO 0.04 0.00 -1.17 0.35 -1.57 0.00 0.00 179.24 176.89 1sqq n THR 36 N -4.18 0.09 -1.61 0.35 -2.24 -0.54 -4.94 114.28 101.21 1sqq n THR 36 Ca 0.22 -0.21 -0.53 0.00 -2.27 0.00 0.00 64.05 61.26 1sqq n THR 36 Cb 1.13 0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 69.69 1sqq n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqq n ILE 37 N -1.87 0.04 -1.67 2.28 0.00 -1.20 -4.93 119.36 112.02 1sqq n ILE 37 Ca 0.02 -0.01 -0.49 0.00 0.00 0.00 0.00 62.75 62.27 1sqq n ILE 37 Cb 0.43 -0.86 -0.05 0.00 0.00 0.00 0.00 39.64 39.16 1sqq n ILE 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1sqq n HIS 38 N 2.91 2.23 -2.58 9.51 -0.00 -1.26 -4.94 115.22 121.09 1sqq n HIS 38 Ca 0.20 0.17 -0.41 0.00 -0.00 0.00 0.00 57.72 57.68 1sqq n HIS 38 Cb 0.18 -2.59 -0.03 0.00 -0.00 0.00 0.00 29.99 27.55 1sqq n HIS 38 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1sqq s GLU 39 N 2.85 3.58 0.05 1.57 2.02 -1.26 -4.85 118.70 122.65 1sqq s GLU 39 Ca 0.89 -1.12 -0.00 0.00 0.02 0.00 0.00 54.97 54.75 1sqq s GLU 39 Cb -0.74 -5.31 0.01 0.00 0.10 0.00 0.00 34.13 28.19 1sqq s GLU 39 CO 0.49 -2.19 0.07 0.27 0.02 0.00 0.00 175.26 173.91 1sqq n ASN 40 N 8.80 0.08 0.07 -0.19 0.23 -1.26 -4.87 115.26 118.12 1sqq n ASN 40 Ca 0.32 -1.07 -0.12 0.00 -0.53 0.00 0.00 54.58 53.18 1sqq n ASN 40 Cb 0.51 -0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 1sqq n ASN 40 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1sqq h ASP 41 N -0.04 -0.40 -0.77 0.53 3.45 -1.99 0.55 116.42 117.74 1sqq h ASP 41 Ca -0.02 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1sqq h ASP 41 Cb 0.08 0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.97 1sqq h ASP 41 CO 0.02 -0.20 0.49 0.44 -1.57 0.00 0.00 179.24 178.42 1sqq h ASP 42 N -0.26 0.90 -0.23 6.45 3.32 -1.97 -2.18 116.42 122.45 1sqq h ASP 42 Ca 0.04 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1sqq h ASP 42 Cb 0.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1sqq h ASP 42 CO -0.11 0.67 0.06 0.58 -1.72 0.00 0.00 179.24 178.72 1sqq h VAL 43 N 1.05 1.20 -0.81 -1.35 2.07 -1.80 -1.98 116.25 114.63 1sqq h VAL 43 Ca 0.28 -0.65 0.18 0.00 0.82 0.00 0.00 66.70 67.33 1sqq h VAL 43 Cb -0.09 1.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.77 1sqq h VAL 43 CO -0.06 0.21 0.31 0.11 0.02 0.00 0.00 177.57 178.16 1sqq h LYS 44 N 0.19 0.38 -0.62 1.57 1.57 -0.55 -0.29 116.57 118.81 1sqq h LYS 44 Ca 0.07 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1sqq h LYS 44 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1sqq h LYS 44 CO -0.00 0.25 0.10 1.49 -0.57 0.00 0.00 179.45 180.73 1sqq h GLU 45 N 0.39 1.02 -0.27 3.15 4.57 -0.77 -1.78 114.58 120.90 1sqq h GLU 45 Ca 0.48 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1sqq h GLU 45 Cb 0.82 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1sqq h GLU 45 CO -0.48 0.95 0.09 0.00 -1.18 0.00 0.00 179.01 178.39 1sqq h ALA 46 N 1.03 0.35 -0.93 2.92 0.00 -0.56 -0.08 119.26 121.99 1sqq h ALA 46 Ca 0.19 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1sqq h ALA 46 Cb 0.42 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 1sqq h ALA 46 CO 0.01 -0.03 0.51 0.82 0.00 0.00 0.00 179.25 180.57 1sqq h ILE 47 N 0.27 0.68 -0.86 0.00 1.08 -1.00 0.17 117.51 117.84 1sqq h ILE 47 Ca 0.09 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1sqq h ILE 47 Cb 0.23 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 1sqq h ILE 47 CO -0.00 0.12 0.50 -0.09 -0.69 0.00 0.00 178.15 177.99 1sqq h ARG 48 N 0.65 1.17 0.00 2.37 2.43 -0.36 -2.35 114.38 118.30 1sqq h ARG 48 Ca 0.54 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1sqq h ARG 48 Cb 0.84 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1sqq h ARG 48 CO -0.40 0.83 0.00 0.54 -1.51 0.00 0.00 179.97 179.43 1sqq n ARG 49 N -4.36 0.67 -2.59 0.20 1.74 0.57 -4.84 116.66 108.05 1sqq n ARG 49 Ca 0.09 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.78 1sqq n ARG 49 Cb 0.07 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 1sqq n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sqq s LEU 50 N -2.32 4.47 0.88 0.55 1.43 -0.89 -5.02 118.68 117.79 1sqq s LEU 50 Ca 0.37 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 1sqq s LEU 50 Cb 0.21 -3.77 0.12 0.00 0.03 0.00 0.00 46.19 42.78 1sqq s LEU 50 CO 0.42 -0.13 1.16 -2.16 0.23 0.00 0.00 176.35 175.87 1sqq s PRO 51 N -1.65 1.39 0.06 1.29 0.04 -1.26 -4.76 135.00 130.10 1sqq s PRO 51 Ca 0.47 0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.50 1sqq s PRO 51 Cb -0.27 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 1sqq s PRO 51 CO 0.34 -2.01 1.49 1.49 0.04 0.00 0.00 177.00 178.35 1sqq h GLU 52 N -1.36 0.28 -0.56 4.56 4.57 -1.99 -1.65 114.58 118.42 1sqq h GLU 52 Ca -0.49 -0.09 0.11 0.00 -1.18 0.00 0.00 59.36 57.72 1sqq h GLU 52 Cb 1.33 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.79 1sqq h GLU 52 CO 0.62 0.50 -0.09 -2.95 -1.18 0.00 0.00 179.01 175.92 1sqq h ASN 53 N 0.02 -0.42 -0.11 1.04 -0.00 -1.98 0.29 115.58 114.42 1sqq h ASN 53 Ca 0.04 0.16 -0.22 0.00 -0.00 0.00 0.00 56.30 56.28 1sqq h ASN 53 Cb 0.38 0.31 0.01 0.00 -0.00 0.00 0.00 38.32 39.02 1sqq h ASN 53 CO 0.01 -0.16 -0.80 -0.07 -0.00 0.00 0.00 177.43 176.41 1sqq h LEU 54 N 0.04 0.89 0.30 6.14 3.38 -1.85 -1.94 115.31 122.28 1sqq h LEU 54 Ca 0.28 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1sqq h LEU 54 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sqq h LEU 54 CO -0.54 1.42 -0.22 0.22 0.09 0.00 0.00 178.44 179.40 1sqq h TYR 55 N 0.44 -0.59 -0.98 1.13 3.20 -0.84 0.39 116.97 119.71 1sqq h TYR 55 Ca -0.07 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.00 1sqq h TYR 55 Cb 1.44 0.22 -0.09 0.00 1.54 0.00 0.00 36.73 39.84 1sqq h TYR 55 CO 0.10 -0.34 0.62 -0.44 -1.64 0.00 0.00 178.16 176.45 1sqq h ASP 56 N -0.53 0.65 -0.00 -2.11 3.45 -0.40 0.16 116.42 117.64 1sqq h ASP 56 Ca -0.02 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.52 1sqq h ASP 56 Cb 0.46 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1sqq h ASP 56 CO -0.00 0.23 -0.00 0.44 -1.57 0.00 0.00 179.24 178.33 1sqq h ASP 57 N 0.63 0.00 -0.86 6.45 3.45 -0.92 -2.92 116.42 122.26 1sqq h ASP 57 Ca 0.55 -0.77 0.13 0.00 0.43 0.00 0.00 57.03 57.37 1sqq h ASP 57 Cb 1.03 -0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.66 1sqq h ASP 57 CO -0.31 0.77 -0.33 -1.14 -1.57 0.00 0.00 179.24 176.66 1sqq n ARG 58 N -4.72 -0.20 0.05 3.56 0.63 0.13 -0.74 116.66 115.37 1sqq n ARG 58 Ca -0.09 1.33 -0.03 0.00 -0.92 0.00 0.00 57.85 58.14 1sqq n ARG 58 Cb 0.38 -1.97 0.22 0.00 0.45 0.00 0.00 32.46 31.54 1sqq n ARG 58 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1sqq h VAL 59 N 0.00 1.27 -0.30 5.15 -1.51 -0.74 -2.30 116.25 117.82 1sqq h VAL 59 Ca 0.30 -1.32 -0.17 0.00 -1.23 0.00 0.00 66.70 64.28 1sqq h VAL 59 Cb 0.52 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1sqq h VAL 59 CO -0.86 0.41 -0.48 0.15 -1.23 0.00 0.00 177.57 175.57 1sqq h PHE 60 N 0.34 0.99 -0.19 5.19 3.04 -1.22 0.11 116.94 125.19 1sqq h PHE 60 Ca 0.05 -0.32 0.03 0.00 3.98 0.00 0.00 57.97 61.70 1sqq h PHE 60 Cb 0.70 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 1sqq h PHE 60 CO 0.02 1.12 -0.02 0.00 -2.02 0.00 0.00 178.31 177.41 1sqq h ARG 61 N 0.63 0.03 0.00 1.11 3.08 -0.87 0.71 114.38 119.08 1sqq h ARG 61 Ca 0.03 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1sqq h ARG 61 Cb 1.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1sqq h ARG 61 CO 0.10 0.02 -0.47 0.82 -1.07 0.00 0.00 179.97 179.38 1sqq h ILE 62 N 0.03 1.31 -0.26 2.04 2.04 -1.10 -1.40 117.51 120.18 1sqq h ILE 62 Ca 0.09 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1sqq h ILE 62 Cb 0.12 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1sqq h ILE 62 CO -0.17 0.46 -0.07 0.50 0.00 0.00 0.00 178.15 178.87 1sqq h LYS 63 N 0.00 0.50 -0.53 2.37 3.64 -0.42 -0.86 116.57 121.27 1sqq h LYS 63 Ca -0.00 -0.20 0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1sqq h LYS 63 Cb 0.84 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.53 1sqq h LYS 63 CO 0.06 0.72 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.76 1sqq h ARG 64 N 0.25 0.01 0.20 1.90 2.43 0.17 -1.09 114.38 118.25 1sqq h ARG 64 Ca 0.06 -0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.92 1sqq h ARG 64 Cb 0.54 -0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1sqq h ARG 64 CO 0.03 0.01 -1.38 0.00 -1.51 0.00 0.00 179.97 177.12 1sqq h ALA 65 N 1.52 -0.07 -0.22 2.80 0.00 -1.18 -0.98 119.26 121.14 1sqq h ALA 65 Ca 0.26 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1sqq h ALA 65 Cb 0.39 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1sqq h ALA 65 CO -0.53 0.75 0.01 -0.07 0.00 0.00 0.00 179.25 179.41 1sqq h LEU 66 N 0.17 0.29 -0.09 0.00 3.38 -1.06 0.32 115.31 118.32 1sqq h LEU 66 Ca -0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1sqq h LEU 66 Cb 2.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.74 1sqq h LEU 66 CO 0.25 0.34 0.00 -0.78 0.09 0.00 0.00 178.44 178.35 1sqq h ASP 67 N 0.32 0.15 0.89 -0.43 1.82 -0.86 -0.59 116.42 117.72 1sqq h ASP 67 Ca 0.08 -0.30 -0.04 0.00 -0.39 0.00 0.00 57.03 56.37 1sqq h ASP 67 Cb 0.20 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.18 1sqq h ASP 67 CO 0.00 0.41 -0.43 -0.07 -1.61 0.00 0.00 179.24 177.55 1sqq h LEU 68 N -0.12 -1.02 -1.02 2.28 3.38 -0.62 -2.60 115.31 115.60 1sqq h LEU 68 Ca 0.03 0.04 0.37 0.00 0.09 0.00 0.00 57.88 58.40 1sqq h LEU 68 Cb 0.33 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 1sqq h LEU 68 CO 0.00 -0.72 0.64 -0.24 0.09 0.00 0.00 178.44 178.21 1sqq n SER 69 N -5.25 0.19 0.25 -0.43 2.88 0.11 0.71 113.62 112.08 1sqq n SER 69 Ca -0.15 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.41 1sqq n SER 69 Cb 0.47 -0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 63.31 1sqq n SER 69 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1sqq h MET 70 N 0.00 -0.65 -0.93 -1.46 1.85 -0.77 -3.28 114.93 109.69 1sqq h MET 70 Ca 0.69 0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.80 1sqq h MET 70 Cb 2.13 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 34.30 1sqq h MET 70 CO -0.42 -0.36 0.03 2.89 -0.40 0.00 0.00 176.91 178.64 1sqq n ARG 71 N -5.24 1.74 -4.39 0.39 1.85 0.22 -4.85 116.66 106.38 1sqq n ARG 71 Ca -0.10 -0.67 -0.37 0.00 -1.00 0.00 0.00 57.85 55.70 1sqq n ARG 71 Cb 0.30 -1.59 -0.09 0.00 -1.05 0.00 0.00 32.46 30.04 1sqq n ARG 71 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1sqq n GLN 72 N 0.14 -0.81 -3.86 2.89 6.02 -0.32 -4.98 117.38 116.46 1sqq n GLN 72 Ca 0.07 0.12 -0.25 0.00 -0.01 0.00 0.00 57.00 56.93 1sqq n GLN 72 Cb 0.51 -4.16 -0.02 0.00 1.02 0.00 0.00 30.24 27.60 1sqq n GLN 72 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1sqq s GLN 73 N -7.15 2.30 0.13 -1.09 -1.52 -1.13 -4.98 119.66 106.23 1sqq s GLN 73 Ca 0.50 -1.92 0.04 0.00 -1.95 0.00 0.00 55.36 52.03 1sqq s GLN 73 Cb -0.29 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.32 1sqq s GLN 73 CO 0.99 -0.49 -0.09 -1.50 -0.25 0.00 0.00 175.29 173.95 1sqq s ILE 74 N -2.70 1.06 0.70 1.08 1.10 -1.26 -4.37 121.20 116.81 1sqq s ILE 74 Ca 0.37 -2.00 -0.11 0.00 -0.51 0.00 0.00 60.65 58.40 1sqq s ILE 74 Cb -0.02 -1.77 0.01 0.00 0.15 0.00 0.00 42.46 40.83 1sqq s ILE 74 CO 0.23 -0.76 1.06 -0.76 -2.11 0.00 0.00 174.94 172.60 1sqq s LEU 75 N -3.08 3.14 0.57 8.50 1.43 -0.59 -5.05 118.68 123.60 1sqq s LEU 75 Ca 0.15 1.65 -0.20 0.00 -1.03 0.00 0.00 54.13 54.70 1sqq s LEU 75 Cb 0.03 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1sqq s LEU 75 CO -0.01 -1.50 1.06 -2.65 0.23 0.00 0.00 176.35 173.49 1sqq n PRO 76 N -3.11 1.12 -0.02 1.29 -0.02 -1.26 -4.85 135.00 128.14 1sqq n PRO 76 Ca 0.08 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1sqq n PRO 76 Cb 0.53 -2.25 0.38 0.00 -0.02 0.00 0.00 33.50 32.14 1sqq n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1sqq h LYS 77 N 0.80 0.58 -0.93 -0.52 3.64 -1.97 -1.57 116.57 116.59 1sqq h LYS 77 Ca -0.48 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.00 1sqq h LYS 77 Cb 1.35 -0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 1sqq h LYS 77 CO 0.53 0.43 0.53 0.93 -2.27 0.00 0.00 179.45 179.60 1sqq h GLU 78 N 0.58 0.72 -0.01 1.90 3.07 -2.03 -3.08 114.58 115.73 1sqq h GLU 78 Ca 0.15 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1sqq h GLU 78 Cb 0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1sqq h GLU 78 CO -0.02 0.47 -0.20 1.04 -1.40 0.00 0.00 179.01 178.90 1sqq n GLN 79 N -4.79 1.38 -1.68 2.33 6.02 -0.60 -4.85 117.38 115.19 1sqq n GLN 79 Ca 0.20 -0.96 -0.37 0.00 -0.01 0.00 0.00 57.00 55.85 1sqq n GLN 79 Cb 0.47 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 30.32 1sqq n GLN 79 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1sqq n TRP 80 N 0.03 1.72 -3.16 1.08 7.02 -1.15 -4.61 117.44 118.37 1sqq n TRP 80 Ca 0.14 0.42 -0.39 0.00 -1.02 0.00 0.00 57.50 56.65 1sqq n TRP 80 Cb 0.42 -2.24 -0.05 0.00 -2.42 0.00 0.00 31.31 27.01 1sqq n TRP 80 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1sqq s THR 81 N -1.44 4.88 0.30 -0.99 -1.32 -1.04 -4.99 115.64 111.03 1sqq s THR 81 Ca 0.81 1.31 -0.12 0.00 -1.21 0.00 0.00 61.69 62.49 1sqq s THR 81 Cb -0.38 -3.96 -0.08 0.00 -1.51 0.00 0.00 72.50 66.57 1sqq s THR 81 CO 0.42 0.40 0.66 -0.54 -2.21 0.00 0.00 174.62 173.35 1sqq s LYS 82 N -0.14 3.88 -0.00 7.08 1.02 -1.26 -4.78 119.74 125.54 1sqq s LYS 82 Ca 0.32 0.47 -0.14 0.00 0.02 0.00 0.00 55.97 56.65 1sqq s LYS 82 Cb -0.19 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 1sqq s LYS 82 CO 0.18 0.20 0.78 -0.92 -0.92 0.00 0.00 175.35 174.67 1sqq h TYR 83 N 2.22 -0.46 -0.42 3.18 5.03 -1.96 -3.06 116.97 121.51 1sqq h TYR 83 Ca -0.47 -0.01 -0.32 0.00 2.58 0.00 0.00 58.73 60.51 1sqq h TYR 83 Cb 1.17 0.15 0.03 0.00 1.55 0.00 0.00 36.73 39.63 1sqq h TYR 83 CO 0.61 -0.28 -0.05 -0.85 -1.32 0.00 0.00 178.16 176.27 1sqq n GLU 84 N -4.05 0.00 0.00 1.82 0.00 -1.26 -2.60 120.64 114.55 1sqq n GLU 84 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 1sqq n GLU 84 Cb 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 31.07 1sqq n GLU 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1sqq n GLU 85 N 0.56 0.00 -2.05 3.44 1.02 -1.25 -4.95 120.64 117.42 1sqq n GLU 85 Ca 0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.82 1sqq n GLU 85 Cb 0.05 -0.72 -0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1sqq n GLU 85 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sqq n ASP 86 N 0.00 7.35 -0.28 1.62 -0.08 -1.07 -4.88 116.55 119.20 1sqq n ASP 86 Ca 0.00 -3.11 0.00 0.00 -1.51 0.00 0.00 54.79 50.17 1sqq n ASP 86 Cb 0.00 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.06 1sqq n ASP 86 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sqq n LYS 87 N 2.33 0.00 -3.28 -0.67 4.76 -1.26 -4.90 118.16 115.14 1sqq n LYS 87 Ca 0.58 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.59 1sqq n LYS 87 Cb 0.27 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.46 1sqq n LYS 87 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1sqq n SER 88 N 0.94 5.57 0.16 4.39 3.41 -1.26 -4.71 113.62 122.12 1sqq n SER 88 Ca 0.00 -3.17 0.01 0.00 -0.26 0.00 0.00 58.87 55.45 1sqq n SER 88 Cb 0.00 -1.29 0.26 0.00 -0.26 0.00 0.00 64.21 62.92 1sqq n SER 88 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1sqq h TYR 89 N 6.15 0.00 -0.03 7.33 -0.00 -1.99 -3.18 116.97 125.24 1sqq h TYR 89 Ca 0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.69 1sqq h TYR 89 Cb 0.78 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.53 1sqq h TYR 89 CO 0.82 0.50 -0.86 -0.07 -0.00 0.00 0.00 178.16 178.55 1sqq h LEU 90 N 0.00 0.82 -0.51 0.10 3.38 -1.95 -3.40 115.31 113.75 1sqq h LEU 90 Ca -0.01 -0.72 0.10 0.00 0.09 0.00 0.00 57.88 57.35 1sqq h LEU 90 Cb 0.89 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 1sqq h LEU 90 CO 0.07 1.42 -0.08 -0.08 0.09 0.00 0.00 178.44 179.85 1sqq h GLU 91 N 0.29 0.04 -0.88 1.13 4.81 -1.98 0.20 114.58 118.19 1sqq h GLU 91 Ca -0.10 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.27 1sqq h GLU 91 Cb 1.52 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.80 1sqq h GLU 91 CO 0.17 0.02 0.49 -1.00 -0.73 0.00 0.00 179.01 177.97 1sqq h PRO 92 N 0.04 0.71 -0.36 0.92 0.13 -1.79 0.45 132.00 132.10 1sqq h PRO 92 Ca 0.25 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.20 1sqq h PRO 92 Cb 0.39 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 1sqq h PRO 92 CO -0.49 0.47 -0.32 1.88 -0.23 0.00 0.00 178.00 179.30 1sqq h TYR 93 N 0.73 1.01 -0.66 1.56 0.05 -0.92 -2.34 116.97 116.40 1sqq h TYR 93 Ca 0.46 -0.30 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 1sqq h TYR 93 Cb 0.59 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1sqq h TYR 93 CO -0.06 1.09 0.34 1.25 -1.05 0.00 0.00 178.16 179.72 1sqq h LEU 94 N 0.64 0.84 -0.97 3.88 6.46 0.08 -1.45 115.31 124.79 1sqq h LEU 94 Ca 0.06 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1sqq h LEU 94 Cb 0.90 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 1sqq h LEU 94 CO 0.08 0.72 0.64 0.50 -0.62 0.00 0.00 178.44 179.76 1sqq h LYS 95 N 0.90 1.22 0.08 1.25 3.64 0.10 -1.76 116.57 122.02 1sqq h LYS 95 Ca 0.23 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 1sqq h LYS 95 Cb 0.08 -0.28 0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1sqq h LYS 95 CO -0.03 0.81 -0.91 1.49 -2.27 0.00 0.00 179.45 178.53 1sqq h GLU 96 N 1.26 0.48 -0.63 1.90 4.57 -0.92 0.11 114.58 121.35 1sqq h GLU 96 Ca 0.38 -0.62 0.11 0.00 -1.18 0.00 0.00 59.36 58.04 1sqq h GLU 96 Cb -0.05 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 28.66 1sqq h GLU 96 CO -0.11 1.25 0.21 0.28 -1.18 0.00 0.00 179.01 179.47 1sqq h VAL 97 N -0.01 0.72 -0.58 0.32 2.07 -1.07 -1.29 116.25 116.41 1sqq h VAL 97 Ca -0.14 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1sqq h VAL 97 Cb 1.64 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1sqq h VAL 97 CO 0.18 0.07 -0.04 0.40 0.02 0.00 0.00 177.57 178.20 1sqq h ILE 98 N 0.37 1.27 -0.88 4.57 2.04 -1.05 -1.10 117.51 122.73 1sqq h ILE 98 Ca 0.32 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 65.05 1sqq h ILE 98 Cb 0.44 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1sqq h ILE 98 CO -0.35 0.43 0.57 -0.09 0.00 0.00 0.00 178.15 178.71 1sqq h ARG 99 N 0.94 0.99 -0.01 2.37 1.12 0.20 -0.68 114.38 119.31 1sqq h ARG 99 Ca 0.16 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.93 1sqq h ARG 99 Cb 0.60 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 30.34 1sqq h ARG 99 CO 0.04 0.65 -0.14 0.93 -3.11 0.00 0.00 179.97 178.34 1sqq h GLU 100 N 1.02 0.12 -0.81 0.20 5.08 -0.93 -1.46 114.58 117.80 1sqq h GLU 100 Ca 0.37 -0.11 0.22 0.00 -1.00 0.00 0.00 59.36 58.84 1sqq h GLU 100 Cb 0.16 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1sqq h GLU 100 CO -0.13 0.82 0.57 -0.09 -1.00 0.00 0.00 179.01 179.17 1sqq h ARG 101 N -0.53 0.09 0.09 2.33 2.43 -0.22 0.08 114.38 118.64 1sqq h ARG 101 Ca -0.01 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.84 1sqq h ARG 101 Cb 0.86 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1sqq h ARG 101 CO 0.03 0.06 -1.62 0.87 -1.51 0.00 0.00 179.97 177.80 1sqq h LYS 102 N 0.09 0.18 -0.89 0.20 1.57 -0.77 -1.39 116.57 115.56 1sqq h LYS 102 Ca 0.39 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1sqq h LYS 102 Cb 1.42 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.80 1sqq h LYS 102 CO -0.04 0.99 0.58 1.49 -0.57 0.00 0.00 179.45 181.90 1sqq h GLU 103 N 0.05 1.15 -0.06 3.15 4.81 -0.12 0.11 114.58 123.67 1sqq h GLU 103 Ca -0.27 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1sqq h GLU 103 Cb 2.00 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 31.12 1sqq h GLU 103 CO 0.13 0.76 0.03 0.00 -0.73 0.00 0.00 179.01 179.20 1sqq h ARG 104 N 1.18 0.08 -0.65 1.92 3.08 -0.99 -1.68 114.38 117.31 1sqq h ARG 104 Ca 0.33 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.40 1sqq h ARG 104 Cb -0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1sqq h ARG 104 CO -0.08 0.10 0.43 0.93 -1.07 0.00 0.00 179.97 180.28 1sqq h GLU 105 N 0.03 0.81 -0.36 0.04 5.08 -0.73 -0.77 114.58 118.68 1sqq h GLU 105 Ca 0.02 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 1sqq h GLU 105 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1sqq h GLU 105 CO -0.00 0.53 -0.42 0.93 -1.00 0.00 0.00 179.01 179.05 1sqq h GLU 106 N 0.83 0.91 -0.10 2.33 4.39 -0.51 -3.12 114.58 119.31 1sqq h GLU 106 Ca 0.25 -0.50 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 1sqq h GLU 106 Cb -0.01 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1sqq h GLU 106 CO -0.06 1.14 -0.11 -1.49 -1.16 0.00 0.00 179.01 177.33 1sqq h TRP 107 N 0.73 0.15 0.00 4.33 4.06 -0.24 -2.04 115.95 122.93 1sqq h TRP 107 Ca 0.05 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1sqq h TRP 107 Cb 1.01 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1sqq h TRP 107 CO 0.06 0.26 0.00 0.00 -3.56 0.00 0.00 178.44 175.20 1sqq h ALA 108 N 1.75 1.00 0.00 1.49 0.00 -1.15 -3.06 119.26 119.30 1sqq h ALA 108 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1sqq h ALA 108 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sqq h ALA 108 CO 0.02 0.00 -1.04 0.87 0.00 0.00 0.00 179.25 179.09 1sqq h LYS 109 N 0.00 0.00 0.00 0.00 1.57 -1.40 -3.51 116.57 113.23 1sqq h LYS 109 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqq h LYS 109 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1sqq h LYS 109 CO 0.00 0.87 0.00 0.36 -0.57 0.00 0.00 179.45 180.11