#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqv s SER 7 N 0.00 0.42 0.22 4.52 1.04 -1.26 -5.05 113.70 113.59 1sqv s SER 7 Ca 0.00 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.29 1sqv s SER 7 Cb 0.00 -0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.14 1sqv s SER 7 CO 0.00 -0.05 1.88 0.00 0.98 0.00 0.00 173.24 176.06 1sqv h ALA 8 N 6.81 1.00 0.09 5.32 0.00 -2.06 -3.13 119.26 127.28 1sqv h ALA 8 Ca -0.37 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 1sqv h ALA 8 Cb 1.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sqv h ALA 8 CO 0.49 0.38 -1.15 0.66 0.00 0.00 0.00 179.25 179.63 1sqv h SER 9 N 1.04 0.34 1.74 0.00 4.64 -1.99 -2.97 113.55 116.35 1sqv h SER 9 Ca 0.29 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1sqv h SER 9 Cb -0.09 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1sqv h SER 9 CO -0.07 1.25 0.00 0.28 -0.87 0.00 0.00 176.83 177.42 1sqv h SER 10 N 0.07 0.00 1.16 4.97 0.02 -2.00 -1.60 113.55 116.17 1sqv h SER 10 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1sqv h SER 10 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1sqv h SER 10 CO 0.18 0.00 0.00 -0.09 -1.14 0.00 0.00 176.83 175.78 1sqv h ARG 11 N 0.00 0.00 0.07 3.45 2.43 -1.52 -2.88 114.38 115.93 1sqv h ARG 11 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1sqv h ARG 11 Cb 0.87 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1sqv h ARG 11 CO 0.00 0.00 -1.31 2.35 -1.51 0.00 0.00 179.97 179.50 1sqv h TRP 12 N 0.00 0.25 -0.96 2.20 2.91 -1.19 -2.06 115.95 117.11 1sqv h TRP 12 Ca 0.00 -0.18 0.11 0.00 1.13 0.00 0.00 58.89 59.95 1sqv h TRP 12 Cb 0.58 -0.01 -0.08 0.00 -0.51 0.00 0.00 29.16 29.14 1sqv h TRP 12 CO 0.00 1.52 0.61 1.25 -1.03 0.00 0.00 178.44 180.78 1sqv h LEU 13 N -0.56 0.86 -1.28 0.65 5.85 -1.46 0.15 115.31 119.53 1sqv h LEU 13 Ca -0.31 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1sqv h LEU 13 Cb 1.57 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 1sqv h LEU 13 CO -0.04 0.48 0.47 -0.08 -0.34 0.00 0.00 178.44 178.93 1sqv h GLU 14 N 0.94 0.96 -0.06 1.25 4.57 -1.61 -0.60 114.58 120.02 1sqv h GLU 14 Ca 0.46 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.40 1sqv h GLU 14 Cb 0.47 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1sqv h GLU 14 CO -0.22 0.64 -0.72 0.78 -1.18 0.00 0.00 179.01 178.31 1sqv h GLY 15 N 0.99 0.35 0.76 1.92 0.00 -0.41 -0.41 103.07 106.28 1sqv h GLY 15 Ca 0.26 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1sqv h GLY 15 CO -0.06 0.44 -0.08 -2.22 0.00 0.00 0.00 176.54 174.62 1sqv h ILE 16 N 0.21 0.94 -0.69 2.60 2.04 -0.61 -1.79 117.51 120.22 1sqv h ILE 16 Ca -0.03 -0.49 0.12 0.00 1.00 0.00 0.00 64.86 65.46 1sqv h ILE 16 Cb 1.28 1.25 -0.09 0.00 -0.74 0.00 0.00 36.82 38.52 1sqv h ILE 16 CO 0.12 0.12 0.25 0.03 0.00 0.00 0.00 178.15 178.66 1sqv h ARG 17 N -0.45 0.39 -0.12 2.37 3.08 -1.14 -0.68 114.38 117.83 1sqv h ARG 17 Ca -0.02 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1sqv h ARG 17 Cb 0.35 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1sqv h ARG 17 CO 0.04 0.26 -0.35 -0.22 -1.07 0.00 0.00 179.97 178.62 1sqv h LYS 18 N 0.40 0.24 0.54 0.04 3.64 -1.09 -1.26 116.57 119.07 1sqv h LYS 18 Ca 0.37 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1sqv h LYS 18 Cb 0.53 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1sqv h LYS 18 CO -0.38 0.57 -0.26 2.35 -2.27 0.00 0.00 179.45 179.46 1sqv h TRP 19 N 0.21 -0.67 -0.96 1.91 7.01 -0.99 -2.33 115.95 120.12 1sqv h TRP 19 Ca 0.02 -0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.21 1sqv h TRP 19 Cb 0.72 0.22 -0.08 0.00 -2.10 0.00 0.00 29.16 27.92 1sqv h TRP 19 CO 0.01 -0.42 0.61 -0.92 -2.79 0.00 0.00 178.44 174.94 1sqv h TYR 20 N -0.76 0.79 0.27 2.65 3.20 -1.08 0.45 116.97 122.48 1sqv h TYR 20 Ca -0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1sqv h TYR 20 Cb 0.55 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1sqv h TYR 20 CO 0.09 0.19 -0.19 -0.92 -1.64 0.00 0.00 178.16 175.70 1sqv h TYR 21 N 0.58 -0.49 -0.14 -3.82 3.20 -1.25 0.30 116.97 115.36 1sqv h TYR 21 Ca 0.52 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.34 1sqv h TYR 21 Cb 1.05 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1sqv h TYR 21 CO -0.00 -0.29 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.17 1sqv h ASN 22 N -0.45 0.22 -0.03 -2.11 4.21 0.33 -2.86 115.58 114.89 1sqv h ASN 22 Ca -0.02 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.40 1sqv h ASN 22 Cb 0.39 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1sqv h ASN 22 CO 0.01 0.40 -0.13 0.00 -1.29 0.00 0.00 177.43 176.41 1sqv h ALA 23 N 1.63 0.05 -0.62 -0.83 0.00 -0.27 -3.15 119.26 116.07 1sqv h ALA 23 Ca 0.04 -0.38 0.13 0.00 0.00 0.00 0.00 54.91 54.70 1sqv h ALA 23 Cb 0.40 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1sqv h ALA 23 CO 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 179.25 179.14 1sqv h ALA 24 N 0.37 0.47 -2.28 0.00 0.00 -0.35 -3.47 119.26 113.99 1sqv h ALA 24 Ca -0.01 0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1sqv h ALA 24 Cb 0.80 0.44 0.04 0.00 0.00 0.00 0.00 17.79 19.06 1sqv h ALA 24 CO 0.03 -0.42 -0.20 0.41 0.00 0.00 0.00 179.25 179.06 1sqv n GLY 25 N -1.41 0.46 0.15 0.00 0.00 -1.09 -4.94 105.19 98.36 1sqv n GLY 25 Ca 0.08 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1sqv n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1sqv h PHE 26 N -0.72 0.99 -0.48 1.61 -5.15 -1.89 -3.31 116.94 107.99 1sqv h PHE 26 Ca -0.17 -0.71 0.18 0.00 -0.20 0.00 0.00 57.97 57.07 1sqv h PHE 26 Cb 1.11 -0.05 -0.09 0.00 0.22 0.00 0.00 35.95 37.15 1sqv h PHE 26 CO 0.15 1.55 0.19 0.27 -2.00 0.00 0.00 178.31 178.47 1sqv n ASN 27 N -3.73 0.10 0.28 -0.68 6.94 -1.23 -1.41 115.26 115.54 1sqv n ASN 27 Ca -0.16 0.81 0.16 0.00 -0.02 0.00 0.00 54.58 55.36 1sqv n ASN 27 Cb 1.09 -0.36 0.80 0.00 -2.36 0.00 0.00 39.78 38.94 1sqv n ASN 27 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1sqv h LYS 28 N 0.00 0.00 -0.79 -3.83 1.57 -1.89 0.98 116.57 112.61 1sqv h LYS 28 Ca 0.38 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.60 1sqv h LYS 28 Cb 0.95 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.90 1sqv h LYS 28 CO -0.40 0.07 -0.22 1.28 -0.57 0.00 0.00 179.45 179.62 1sqv n LEU 29 N -3.34 5.73 0.00 2.94 4.77 -0.50 -0.27 117.00 126.33 1sqv n LEU 29 Ca -0.01 -4.52 0.00 0.00 -0.03 0.00 0.00 56.01 51.45 1sqv n LEU 29 Cb 0.24 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1sqv n LEU 29 CO 0.27 1.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.77 1sqv n GLY 30 N -0.82 0.00 3.80 -0.72 0.00 0.32 -4.42 105.19 103.35 1sqv n GLY 30 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 1sqv n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqv s LEU 31 N 0.00 3.52 0.23 0.99 1.43 -0.87 -4.83 118.68 119.15 1sqv s LEU 31 Ca 0.00 1.86 0.08 0.00 -1.03 0.00 0.00 54.13 55.04 1sqv s LEU 31 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1sqv s LEU 31 CO 0.00 -1.20 0.09 -0.04 0.23 0.00 0.00 176.35 175.43 1sqv s MET 32 N -3.99 2.63 0.34 1.70 -1.94 -1.26 -3.49 119.30 113.30 1sqv s MET 32 Ca 0.65 -1.14 0.09 0.00 -1.71 0.00 0.00 55.69 53.57 1sqv s MET 32 Cb -0.17 -2.42 0.81 0.00 2.01 0.00 0.00 34.83 35.06 1sqv s MET 32 CO 0.36 0.41 1.84 -0.09 -0.01 0.00 0.00 175.02 177.53 1sqv h ARG 33 N 2.00 0.68 0.00 2.03 2.43 -1.95 -1.36 114.38 118.21 1sqv h ARG 33 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1sqv h ARG 33 Cb 1.23 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1sqv h ARG 33 CO 0.60 0.45 0.00 -0.44 -1.51 0.00 0.00 179.97 179.08 1sqv h ASP 34 N 0.70 0.00 0.42 -3.80 3.32 -1.96 -1.64 116.42 113.46 1sqv h ASP 34 Ca 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.52 1sqv h ASP 34 Cb 0.81 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1sqv h ASP 34 CO -0.25 0.00 -0.11 0.44 -1.72 0.00 0.00 179.24 177.60 1sqv h ASP 35 N 0.00 0.00 0.24 6.45 3.32 -1.65 -3.32 116.42 121.47 1sqv h ASP 35 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sqv h ASP 35 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1sqv h ASP 35 CO 0.00 0.11 -1.10 0.35 -1.72 0.00 0.00 179.24 176.88 1sqv n THR 36 N -3.56 0.08 -1.67 0.35 -2.24 -0.62 -4.97 114.28 101.64 1sqv n THR 36 Ca -0.02 -0.18 -0.45 0.00 -2.27 0.00 0.00 64.05 61.14 1sqv n THR 36 Cb 0.24 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1sqv n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqv n ILE 37 N -1.81 0.99 -1.67 2.28 0.00 -1.22 -4.91 119.36 113.01 1sqv n ILE 37 Ca 0.02 -0.25 -0.49 0.00 0.00 0.00 0.00 62.75 62.03 1sqv n ILE 37 Cb 0.41 -1.50 -0.05 0.00 0.00 0.00 0.00 39.64 38.50 1sqv n ILE 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1sqv n HIS 38 N 1.86 2.17 -2.36 9.51 -0.00 -1.26 -4.95 115.22 120.19 1sqv n HIS 38 Ca 0.11 0.24 -0.40 0.00 -0.00 0.00 0.00 57.72 57.67 1sqv n HIS 38 Cb 0.32 -2.55 -0.03 0.00 -0.00 0.00 0.00 29.99 27.72 1sqv n HIS 38 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1sqv s GLU 39 N 2.50 2.98 0.47 1.57 2.02 -1.26 -4.78 118.70 122.20 1sqv s GLU 39 Ca 0.88 0.06 0.06 0.00 0.02 0.00 0.00 54.97 55.99 1sqv s GLU 39 Cb -0.77 -4.27 0.06 0.00 0.10 0.00 0.00 34.13 29.25 1sqv s GLU 39 CO 0.48 -2.37 0.52 0.27 0.02 0.00 0.00 175.26 174.19 1sqv n ASN 40 N 10.63 2.06 -0.12 -0.19 0.23 -1.26 -4.90 115.26 121.70 1sqv n ASN 40 Ca 0.10 -2.40 -0.04 0.00 -0.53 0.00 0.00 54.58 51.70 1sqv n ASN 40 Cb 0.50 -0.21 0.03 0.00 -2.08 0.00 0.00 39.78 38.02 1sqv n ASN 40 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1sqv h ASP 41 N 0.28 -0.19 -0.42 0.53 3.32 -1.98 0.84 116.42 118.80 1sqv h ASP 41 Ca -0.25 0.10 0.06 0.00 0.02 0.00 0.00 57.03 56.96 1sqv h ASP 41 Cb 1.04 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 1sqv h ASP 41 CO 0.38 -0.06 0.11 0.44 -1.72 0.00 0.00 179.24 178.40 1sqv h ASP 42 N 0.10 0.07 -0.08 6.45 3.32 -1.97 -1.65 116.42 122.66 1sqv h ASP 42 Ca 0.20 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1sqv h ASP 42 Cb 0.29 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1sqv h ASP 42 CO -0.35 0.08 0.03 0.58 -1.72 0.00 0.00 179.24 177.86 1sqv h VAL 43 N 0.26 1.16 -0.87 -1.35 2.07 -1.59 -3.03 116.25 112.90 1sqv h VAL 43 Ca 0.20 -0.48 0.18 0.00 0.82 0.00 0.00 66.70 67.42 1sqv h VAL 43 Cb 0.22 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 1sqv h VAL 43 CO -0.24 0.14 0.42 0.50 0.02 0.00 0.00 177.57 178.41 1sqv h LYS 44 N -0.05 0.50 -0.28 1.57 3.64 0.14 -1.05 116.57 121.03 1sqv h LYS 44 Ca 0.03 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1sqv h LYS 44 Cb 0.20 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1sqv h LYS 44 CO -0.00 0.33 -0.47 1.49 -2.27 0.00 0.00 179.45 178.54 1sqv h GLU 45 N 0.52 0.80 -0.41 1.90 4.57 -1.33 -2.16 114.58 118.47 1sqv h GLU 45 Ca 0.51 -0.50 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1sqv h GLU 45 Cb 0.86 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1sqv h GLU 45 CO -0.44 1.13 0.07 0.00 -1.18 0.00 0.00 179.01 178.59 1sqv h ALA 46 N 0.67 1.36 -0.88 2.92 0.00 -1.10 0.15 119.26 122.38 1sqv h ALA 46 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sqv h ALA 46 Cb 1.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1sqv h ALA 46 CO 0.11 0.45 0.53 0.82 0.00 0.00 0.00 179.25 181.17 1sqv h ILE 47 N 0.61 1.24 -0.69 0.00 1.08 -1.11 -1.59 117.51 117.05 1sqv h ILE 47 Ca 0.14 -0.51 0.10 0.00 -0.39 0.00 0.00 64.86 64.19 1sqv h ILE 47 Cb 0.27 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.95 1sqv h ILE 47 CO 0.00 0.25 0.32 -0.09 -0.69 0.00 0.00 178.15 177.94 1sqv h ARG 48 N 1.20 0.51 0.00 2.37 2.43 -0.58 -2.76 114.38 117.56 1sqv h ARG 48 Ca 0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1sqv h ARG 48 Cb -0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1sqv h ARG 48 CO -0.06 0.34 0.00 0.54 -1.51 0.00 0.00 179.97 179.28 1sqv n ARG 49 N -4.92 0.28 -2.40 0.20 1.74 0.39 -4.83 116.66 107.12 1sqv n ARG 49 Ca 0.11 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.84 1sqv n ARG 49 Cb 0.30 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1sqv n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sqv s LEU 50 N -2.68 4.43 0.97 0.55 1.43 -0.87 -5.00 118.68 117.50 1sqv s LEU 50 Ca 0.22 2.32 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 1sqv s LEU 50 Cb 0.17 -3.76 0.17 0.00 0.03 0.00 0.00 46.19 42.81 1sqv s LEU 50 CO 0.41 -0.32 1.09 -2.84 0.23 0.00 0.00 176.35 174.92 1sqv s PRO 51 N -1.75 0.62 0.14 1.29 0.02 -1.26 -4.68 135.00 129.38 1sqv s PRO 51 Ca 0.49 1.07 -0.20 0.00 0.02 0.00 0.00 61.00 62.37 1sqv s PRO 51 Cb -0.32 -1.72 0.02 0.00 0.02 0.00 0.00 34.50 32.51 1sqv s PRO 51 CO 0.41 -2.75 1.67 1.49 -0.33 0.00 0.00 177.00 177.49 1sqv h GLU 52 N -1.93 -0.11 -0.31 5.54 4.57 -1.98 -1.58 114.58 118.78 1sqv h GLU 52 Ca -0.51 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 1sqv h GLU 52 Cb 1.29 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1sqv h GLU 52 CO 0.49 -0.08 0.10 -2.95 -1.18 0.00 0.00 179.01 175.40 1sqv h ASN 53 N -0.12 0.44 -0.32 1.04 7.08 -1.98 0.23 115.58 121.96 1sqv h ASN 53 Ca 0.13 -0.20 -0.02 0.00 -3.08 0.00 0.00 56.30 53.13 1sqv h ASN 53 Cb 0.31 -0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 36.42 1sqv h ASN 53 CO -0.31 0.52 0.11 -0.07 -2.08 0.00 0.00 177.43 175.60 1sqv h LEU 54 N 0.34 0.45 -0.30 6.14 3.38 -1.79 0.24 115.31 123.77 1sqv h LEU 54 Ca 0.10 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1sqv h LEU 54 Cb 0.23 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1sqv h LEU 54 CO -0.00 0.52 -0.15 0.22 0.09 0.00 0.00 178.44 179.12 1sqv h TYR 55 N 0.35 -0.36 0.00 1.13 3.20 -1.11 0.32 116.97 120.50 1sqv h TYR 55 Ca 0.10 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1sqv h TYR 55 Cb 0.23 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1sqv h TYR 55 CO 0.00 -0.22 -0.27 -0.44 -1.64 0.00 0.00 178.16 175.59 1sqv h ASP 56 N -0.11 0.00 -0.01 -2.11 3.32 0.11 -0.65 116.42 116.97 1sqv h ASP 56 Ca 0.15 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1sqv h ASP 56 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1sqv h ASP 56 CO -0.37 0.27 -0.20 0.44 -1.72 0.00 0.00 179.24 177.66 1sqv h ASP 57 N 0.00 0.20 -0.62 6.45 3.32 0.30 -2.90 116.42 123.16 1sqv h ASP 57 Ca -0.00 -0.74 0.13 0.00 0.02 0.00 0.00 57.03 56.43 1sqv h ASP 57 Cb 0.49 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.88 1sqv h ASP 57 CO 0.04 0.91 0.07 -0.09 -1.72 0.00 0.00 179.24 178.44 1sqv h ARG 58 N -0.50 0.18 -0.39 3.56 2.43 -0.07 -0.41 114.38 119.18 1sqv h ARG 58 Ca -0.02 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1sqv h ARG 58 Cb 0.93 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1sqv h ARG 58 CO 0.04 0.12 -0.06 -0.39 -1.51 0.00 0.00 179.97 178.17 1sqv h VAL 59 N 0.18 1.23 -0.10 0.20 -1.51 -1.19 -2.28 116.25 112.79 1sqv h VAL 59 Ca 0.33 -1.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.77 1sqv h VAL 59 Cb 0.53 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1sqv h VAL 59 CO -0.48 0.34 -0.07 0.15 -1.23 0.00 0.00 177.57 176.28 1sqv h PHE 60 N 0.60 0.26 -0.11 5.19 3.57 -1.19 0.26 116.94 125.51 1sqv h PHE 60 Ca 0.12 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1sqv h PHE 60 Cb 0.46 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1sqv h PHE 60 CO 0.02 0.60 -0.45 0.00 -2.23 0.00 0.00 178.31 176.25 1sqv h ARG 61 N -0.17 -0.51 -0.95 1.11 3.08 -1.01 0.28 114.38 116.21 1sqv h ARG 61 Ca 0.02 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1sqv h ARG 61 Cb 0.55 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.63 1sqv h ARG 61 CO 0.02 -0.34 0.59 0.82 -1.07 0.00 0.00 179.97 179.99 1sqv h ILE 62 N -0.53 0.96 -0.68 2.04 2.04 -1.40 -0.81 117.51 119.13 1sqv h ILE 62 Ca 0.06 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1sqv h ILE 62 Cb 0.65 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1sqv h ILE 62 CO -0.40 0.18 0.20 0.50 0.00 0.00 0.00 178.15 178.64 1sqv h LYS 63 N 0.98 1.05 -0.43 2.37 3.64 -0.36 -0.47 116.57 123.35 1sqv h LYS 63 Ca 0.45 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1sqv h LYS 63 Cb 0.38 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1sqv h LYS 63 CO -0.24 0.90 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.56 1sqv h ARG 64 N 1.01 0.83 -0.02 1.90 2.43 -0.04 -2.24 114.38 118.25 1sqv h ARG 64 Ca 0.22 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1sqv h ARG 64 Cb 0.30 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1sqv h ARG 64 CO -0.01 0.95 -0.10 0.00 -1.51 0.00 0.00 179.97 179.30 1sqv h ALA 65 N 1.06 0.04 -0.52 2.80 0.00 -0.69 -1.76 119.26 120.18 1sqv h ALA 65 Ca 0.11 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1sqv h ALA 65 Cb 0.71 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1sqv h ALA 65 CO 0.05 -0.06 0.34 -0.07 0.00 0.00 0.00 179.25 179.52 1sqv h LEU 66 N -0.53 0.58 -0.08 0.00 3.38 -1.14 0.50 115.31 118.02 1sqv h LEU 66 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sqv h LEU 66 Cb 0.77 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1sqv h LEU 66 CO 0.02 0.42 0.02 -0.78 0.09 0.00 0.00 178.44 178.21 1sqv h ASP 67 N 0.69 0.02 -0.18 -0.43 3.58 -1.34 0.19 116.42 118.95 1sqv h ASP 67 Ca 0.19 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1sqv h ASP 67 Cb -0.06 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1sqv h ASP 67 CO -0.04 0.02 0.09 -0.07 -2.88 0.00 0.00 179.24 176.36 1sqv h LEU 68 N 0.06 0.23 -1.00 2.28 3.38 -0.33 -1.66 115.31 118.27 1sqv h LEU 68 Ca 0.04 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1sqv h LEU 68 Cb 0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1sqv h LEU 68 CO -0.04 0.28 0.63 -1.28 0.09 0.00 0.00 178.44 178.12 1sqv h SER 69 N 0.16 0.96 0.19 -0.43 0.87 0.17 0.35 113.55 115.82 1sqv h SER 69 Ca 0.06 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1sqv h SER 69 Cb 0.11 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1sqv h SER 69 CO -0.01 0.54 -0.15 -0.03 -0.53 0.00 0.00 176.83 176.66 1sqv h MET 70 N 1.05 -0.34 -0.23 2.24 1.85 -0.37 -3.07 114.93 116.06 1sqv h MET 70 Ca 0.47 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.59 1sqv h MET 70 Cb 0.38 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.49 1sqv h MET 70 CO -0.24 -0.23 0.00 2.89 -0.40 0.00 0.00 176.91 178.94 1sqv n ARG 71 N -5.27 1.35 -2.51 0.39 1.85 0.37 -4.89 116.66 107.95 1sqv n ARG 71 Ca -0.08 -0.48 -0.18 0.00 -1.00 0.00 0.00 57.85 56.11 1sqv n ARG 71 Cb 0.19 -1.17 -0.00 0.00 -1.05 0.00 0.00 32.46 30.43 1sqv n ARG 71 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1sqv n GLN 72 N -0.09 -2.23 -2.01 2.89 1.13 0.94 -4.98 117.38 113.03 1sqv n GLN 72 Ca 0.04 0.81 -0.04 0.00 -1.94 0.00 0.00 57.00 55.88 1sqv n GLN 72 Cb 0.15 -5.47 -0.00 0.00 0.11 0.00 0.00 30.24 25.02 1sqv n GLN 72 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1sqv n GLN 73 N -3.04 1.57 -3.58 -1.09 1.13 -0.88 -5.00 117.38 106.48 1sqv n GLN 73 Ca -0.19 -0.46 -0.12 0.00 -1.94 0.00 0.00 57.00 54.30 1sqv n GLN 73 Cb 0.65 0.08 -0.05 0.00 0.11 0.00 0.00 30.24 31.03 1sqv n GLN 73 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1sqv s ILE 74 N -0.69 0.04 0.74 5.09 1.10 -1.26 -4.54 121.20 121.67 1sqv s ILE 74 Ca 0.02 -0.36 -0.11 0.00 -0.51 0.00 0.00 60.65 59.69 1sqv s ILE 74 Cb -0.00 -1.05 0.03 0.00 0.15 0.00 0.00 42.46 41.59 1sqv s ILE 74 CO 0.02 -0.20 1.07 -0.76 -2.11 0.00 0.00 174.94 172.96 1sqv s LEU 75 N -2.44 2.95 0.27 8.50 1.43 0.62 -5.02 118.68 124.99 1sqv s LEU 75 Ca -0.01 1.56 -0.28 0.00 -1.03 0.00 0.00 54.13 54.36 1sqv s LEU 75 Cb 0.00 -4.33 -0.15 0.00 0.03 0.00 0.00 46.19 41.75 1sqv s LEU 75 CO -0.08 -1.69 0.95 -2.65 0.23 0.00 0.00 176.35 173.11 1sqv n PRO 76 N -3.28 1.13 -0.27 1.29 -0.02 -1.26 -4.88 135.00 127.72 1sqv n PRO 76 Ca 0.08 0.40 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 1sqv n PRO 76 Cb 0.54 -1.72 0.37 0.00 -0.02 0.00 0.00 33.50 32.67 1sqv n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1sqv h LYS 77 N 1.94 0.70 -0.73 -0.52 3.64 -1.95 -0.57 116.57 119.08 1sqv h LYS 77 Ca -0.38 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1sqv h LYS 77 Cb 1.36 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.91 1sqv h LYS 77 CO 0.61 0.46 0.16 0.93 -2.27 0.00 0.00 179.45 179.34 1sqv h GLU 78 N 0.72 0.24 -0.01 1.90 5.08 -2.03 -2.71 114.58 117.79 1sqv h GLU 78 Ca 0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1sqv h GLU 78 Cb 0.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sqv h GLU 78 CO -0.20 0.16 -0.18 1.04 -1.00 0.00 0.00 179.01 178.83 1sqv n GLN 79 N -5.17 0.75 -0.82 2.33 6.02 -0.25 -4.87 117.38 115.36 1sqv n GLN 79 Ca 0.14 -0.36 -0.31 0.00 -0.01 0.00 0.00 57.00 56.46 1sqv n GLN 79 Cb 0.46 -1.49 0.16 0.00 1.02 0.00 0.00 30.24 30.38 1sqv n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1sqv s TRP 80 N -2.50 1.82 -0.53 1.08 0.52 -1.02 -4.60 118.94 113.71 1sqv s TRP 80 Ca 0.26 1.67 -0.22 0.00 0.02 0.00 0.00 56.10 57.84 1sqv s TRP 80 Cb 0.20 -3.25 0.05 0.00 -1.15 0.00 0.00 33.47 29.31 1sqv s TRP 80 CO 0.50 -2.67 0.79 0.95 0.02 0.00 0.00 176.95 176.54 1sqv s THR 81 N -2.70 4.62 0.08 2.01 -4.23 -1.10 -5.00 115.64 109.33 1sqv s THR 81 Ca 0.66 -0.12 -0.35 0.00 -1.18 0.00 0.00 61.69 60.69 1sqv s THR 81 Cb -0.22 -4.43 -0.15 0.00 1.34 0.00 0.00 72.50 69.05 1sqv s THR 81 CO 0.58 -0.98 1.54 0.29 -0.54 0.00 0.00 174.62 175.51 1sqv n LYS 82 N 6.85 1.75 -0.21 3.99 4.76 -1.26 -4.76 118.16 129.28 1sqv n LYS 82 Ca -0.03 0.63 0.02 0.00 -2.87 0.00 0.00 58.31 56.07 1sqv n LYS 82 Cb 0.46 -2.36 0.12 0.00 -1.84 0.00 0.00 35.03 31.41 1sqv n LYS 82 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1sqv h TYR 83 N 5.87 0.10 -0.48 2.13 3.20 -1.96 -0.45 116.97 125.38 1sqv h TYR 83 Ca -0.46 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 1sqv h TYR 83 Cb 1.29 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 1sqv h TYR 83 CO 0.65 -0.11 0.11 1.05 -1.64 0.00 0.00 178.16 178.22 1sqv h GLU 84 N 0.19 0.72 -0.10 1.82 9.09 -2.02 -3.04 114.58 121.24 1sqv h GLU 84 Ca 0.34 -0.14 0.00 0.00 0.05 0.00 0.00 59.36 59.61 1sqv h GLU 84 Cb 0.54 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1sqv h GLU 84 CO -0.48 0.66 0.00 0.39 0.05 0.00 0.00 179.01 179.63 1sqv n GLU 85 N -4.29 0.96 -3.50 1.06 1.02 -0.19 -4.80 120.64 110.89 1sqv n GLU 85 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1sqv n GLU 85 Cb 0.22 -1.05 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1sqv n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sqv s ASP 86 N -0.94 6.01 -0.20 1.62 -1.08 -1.12 -4.91 116.67 116.05 1sqv s ASP 86 Ca 0.00 -0.86 -0.14 0.00 -0.52 0.00 0.00 52.55 51.03 1sqv s ASP 86 Cb 0.00 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.29 1sqv s ASP 86 CO 0.00 -0.41 0.31 -0.54 0.52 0.00 0.00 175.17 175.05 1sqv s LYS 87 N 1.65 4.18 -1.34 4.34 1.02 -1.26 -4.99 119.74 123.34 1sqv s LYS 87 Ca 0.04 0.05 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 1sqv s LYS 87 Cb -0.19 -3.50 0.12 0.00 -0.52 0.00 0.00 37.83 33.74 1sqv s LYS 87 CO 0.09 0.07 2.05 0.43 -0.92 0.00 0.00 175.35 177.07 1sqv n SER 88 N 4.15 5.25 0.25 2.83 7.64 -1.26 -4.72 113.62 127.76 1sqv n SER 88 Ca -0.11 -3.03 0.13 0.00 1.01 0.00 0.00 58.87 56.86 1sqv n SER 88 Cb 0.52 -1.51 0.64 0.00 -1.01 0.00 0.00 64.21 62.84 1sqv n SER 88 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1sqv h TYR 89 N 5.65 0.00 0.06 1.43 -0.00 -1.98 -3.00 116.97 119.13 1sqv h TYR 89 Ca 0.48 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.93 1sqv h TYR 89 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.29 1sqv h TYR 89 CO 1.36 0.15 -1.52 1.25 -0.00 0.00 0.00 178.16 179.39 1sqv h LEU 90 N 0.00 0.21 0.00 0.10 6.46 -1.94 -3.42 115.31 116.73 1sqv h LEU 90 Ca -0.00 -0.73 0.00 0.00 -0.12 0.00 0.00 57.88 57.03 1sqv h LEU 90 Cb 0.51 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1sqv h LEU 90 CO 0.02 1.63 0.00 1.21 -0.62 0.00 0.00 178.44 180.68 1sqv n GLU 91 N -4.02 0.00 -0.31 1.25 4.07 -1.13 -0.99 120.64 119.51 1sqv n GLU 91 Ca -0.30 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.76 1sqv n GLU 91 Cb 0.84 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 32.30 1sqv n GLU 91 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1sqv h PRO 92 N 0.00 1.11 0.25 5.31 0.13 -1.80 0.34 132.00 137.34 1sqv h PRO 92 Ca 0.00 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1sqv h PRO 92 Cb 0.00 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 30.88 1sqv h PRO 92 CO 0.00 0.74 -0.17 1.88 -0.23 0.00 0.00 178.00 180.22 1sqv h TYR 93 N 1.14 -0.44 -0.93 1.56 0.05 -1.34 -0.28 116.97 116.72 1sqv h TYR 93 Ca 0.31 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.20 1sqv h TYR 93 Cb -0.12 0.16 -0.07 0.00 1.01 0.00 0.00 36.73 37.71 1sqv h TYR 93 CO -0.01 -0.26 0.59 1.25 -1.05 0.00 0.00 178.16 178.68 1sqv h LEU 94 N -0.42 0.81 -0.15 3.88 6.46 -0.29 0.14 115.31 125.75 1sqv h LEU 94 Ca -0.02 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1sqv h LEU 94 Cb 0.36 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1sqv h LEU 94 CO 0.01 0.45 -0.17 0.50 -0.62 0.00 0.00 178.44 178.60 1sqv h LYS 95 N 0.88 0.37 -0.76 1.25 3.64 -0.57 -2.20 116.57 119.17 1sqv h LYS 95 Ca 0.45 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1sqv h LYS 95 Cb 0.50 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1sqv h LYS 95 CO -0.21 0.77 0.50 1.49 -2.27 0.00 0.00 179.45 179.74 1sqv h GLU 96 N -0.00 0.98 0.72 1.90 4.57 0.28 0.29 114.58 123.32 1sqv h GLU 96 Ca 0.02 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1sqv h GLU 96 Cb 0.72 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1sqv h GLU 96 CO 0.04 0.65 -0.50 0.28 -1.18 0.00 0.00 179.01 178.30 1sqv h VAL 97 N 1.01 0.00 -0.99 0.32 2.07 -0.76 -0.59 116.25 117.31 1sqv h VAL 97 Ca 0.29 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.94 1sqv h VAL 97 Cb -0.08 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.60 1sqv h VAL 97 CO -0.07 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.54 1sqv h ILE 98 N -1.16 0.88 -0.50 4.57 2.04 -1.01 0.19 117.51 122.53 1sqv h ILE 98 Ca -0.09 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.50 1sqv h ILE 98 Cb 0.95 -0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1sqv h ILE 98 CO 0.05 0.17 0.23 -0.09 0.00 0.00 0.00 178.15 178.52 1sqv h ARG 99 N 0.92 0.44 -0.50 2.37 1.12 -0.18 0.11 114.38 118.67 1sqv h ARG 99 Ca 0.50 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 59.22 1sqv h ARG 99 Cb 0.57 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 1sqv h ARG 99 CO -0.27 0.29 -0.17 0.93 -3.11 0.00 0.00 179.97 177.64 1sqv h GLU 100 N 0.46 1.00 -0.61 0.20 5.08 0.93 -2.64 114.58 118.99 1sqv h GLU 100 Ca 0.22 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1sqv h GLU 100 Cb 0.16 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1sqv h GLU 100 CO -0.18 1.08 0.25 -0.09 -1.00 0.00 0.00 179.01 179.08 1sqv h ARG 101 N 0.86 0.91 -0.08 2.33 2.43 -0.37 -2.63 114.38 117.83 1sqv h ARG 101 Ca 0.12 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1sqv h ARG 101 Cb 0.75 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1sqv h ARG 101 CO 0.06 0.77 -0.38 0.87 -1.51 0.00 0.00 179.97 179.78 1sqv h LYS 102 N 0.85 0.17 -0.05 0.20 1.57 -0.61 -0.61 116.57 118.09 1sqv h LYS 102 Ca 0.21 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1sqv h LYS 102 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1sqv h LYS 102 CO -0.02 0.53 0.01 1.49 -0.57 0.00 0.00 179.45 180.89 1sqv h GLU 103 N 0.15 0.03 -0.68 3.15 4.81 -1.30 0.43 114.58 121.17 1sqv h GLU 103 Ca 0.02 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1sqv h GLU 103 Cb 0.74 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1sqv h GLU 103 CO 0.06 0.02 0.40 0.00 -0.73 0.00 0.00 179.01 178.76 1sqv h ARG 104 N 0.03 0.92 -0.38 1.92 3.08 -1.07 -0.76 114.38 118.11 1sqv h ARG 104 Ca 0.02 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 1sqv h ARG 104 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1sqv h ARG 104 CO -0.03 0.65 -0.26 0.93 -1.07 0.00 0.00 179.97 180.18 1sqv h GLU 105 N 0.93 0.79 -0.16 0.04 5.08 -0.59 -0.78 114.58 119.90 1sqv h GLU 105 Ca 0.24 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1sqv h GLU 105 Cb -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1sqv h GLU 105 CO -0.05 0.96 -0.48 0.93 -1.00 0.00 0.00 179.01 179.38 1sqv h GLU 106 N 0.68 0.41 -0.31 2.33 4.39 0.04 -3.10 114.58 119.02 1sqv h GLU 106 Ca 0.08 -0.23 -0.16 0.00 0.34 0.00 0.00 59.36 59.40 1sqv h GLU 106 Cb 0.79 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1sqv h GLU 106 CO 0.07 0.80 -0.43 -1.49 -1.16 0.00 0.00 179.01 176.80 1sqv h TRP 107 N 0.33 0.96 0.00 4.33 4.06 -0.99 -2.80 115.95 121.84 1sqv h TRP 107 Ca 0.02 -0.30 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1sqv h TRP 107 Cb 0.96 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 1sqv h TRP 107 CO 0.03 1.08 0.00 0.00 -3.56 0.00 0.00 178.44 175.99 1sqv n ALA 108 N -2.53 1.31 0.00 1.49 0.00 -0.31 -2.73 120.51 117.73 1sqv n ALA 108 Ca -0.02 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1sqv n ALA 108 Cb 0.56 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 1sqv n ALA 108 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sqv h LYS 109 N 0.00 0.14 0.00 0.00 1.57 -1.45 -3.51 116.57 113.32 1sqv h LYS 109 Ca 0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1sqv h LYS 109 Cb 0.13 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1sqv h LYS 109 CO 0.00 0.88 0.00 0.36 -0.57 0.00 0.00 179.45 180.12