#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp n SER 7 N 0.00 -1.47 -0.15 4.52 2.88 -1.26 -5.08 113.62 113.06 1sqp n SER 7 Ca 0.00 -3.32 -0.03 0.00 -1.33 0.00 0.00 58.87 54.19 1sqp n SER 7 Cb 0.00 1.17 0.05 0.00 -0.75 0.00 0.00 64.21 64.68 1sqp n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqp h ALA 8 N 2.83 0.53 0.38 -1.46 0.00 -2.06 -1.38 119.26 118.11 1sqp h ALA 8 Ca -0.09 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sqp h ALA 8 Cb 1.11 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1sqp h ALA 8 CO 0.19 -0.28 -0.18 0.66 0.00 0.00 0.00 179.25 179.63 1sqp h SER 9 N 0.27 -0.43 0.01 0.00 4.64 -2.00 -3.03 113.55 113.01 1sqp h SER 9 Ca 0.23 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1sqp h SER 9 Cb 0.27 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1sqp h SER 9 CO -0.27 -0.13 0.00 -1.20 -0.87 0.00 0.00 176.83 174.36 1sqp n SER 10 N -5.21 0.43 -0.00 4.97 7.64 -1.00 -0.36 113.62 120.08 1sqp n SER 10 Ca -0.10 0.70 0.10 0.00 1.01 0.00 0.00 58.87 60.58 1sqp n SER 10 Cb 0.27 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.57 1sqp n SER 10 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1sqp n ARG 11 N -2.08 0.31 0.00 1.43 1.85 -0.55 -3.01 116.66 114.62 1sqp n ARG 11 Ca -0.01 -0.09 -0.21 0.00 -1.00 0.00 0.00 57.85 56.53 1sqp n ARG 11 Cb 0.03 -1.51 -0.14 0.00 -1.05 0.00 0.00 32.46 29.79 1sqp n ARG 11 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 1sqp h TRP 12 N 0.00 0.42 0.00 2.89 7.01 -0.57 -1.58 115.95 124.12 1sqp h TRP 12 Ca 0.00 -0.30 -0.00 0.00 2.11 0.00 0.00 58.89 60.70 1sqp h TRP 12 Cb 0.73 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.77 1sqp h TRP 12 CO 0.00 1.54 -0.01 -0.07 -2.79 0.00 0.00 178.44 177.12 1sqp h LEU 13 N -0.34 0.00 0.06 0.65 3.38 -1.00 0.18 115.31 118.25 1sqp h LEU 13 Ca -0.30 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.39 1sqp h LEU 13 Cb 1.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1sqp h LEU 13 CO 0.05 0.01 -1.48 -0.08 0.09 0.00 0.00 178.44 177.02 1sqp h GLU 14 N 0.00 0.13 0.00 1.13 4.57 -1.64 -3.33 114.58 115.43 1sqp h GLU 14 Ca -0.00 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 1sqp h GLU 14 Cb 0.02 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1sqp h GLU 14 CO 0.00 0.93 -0.46 -0.22 -1.18 0.00 0.00 179.01 178.08 1sqp h LYS 15 N 0.03 0.00 -0.26 1.92 3.64 0.21 -1.50 116.57 120.62 1sqp h LYS 15 Ca -0.21 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1sqp h LYS 15 Cb 1.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 1sqp h LYS 15 CO 0.13 0.46 0.06 0.82 -2.27 0.00 0.00 179.45 178.64 1sqp h ILE 16 N 0.00 1.22 -0.32 2.00 2.04 -0.94 -1.60 117.51 119.91 1sqp h ILE 16 Ca -0.00 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.17 1sqp h ILE 16 Cb 1.02 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1sqp h ILE 16 CO 0.06 0.23 0.13 0.03 0.00 0.00 0.00 178.15 178.61 1sqp h ARG 17 N 0.24 0.28 -0.78 2.37 3.08 -1.62 0.18 114.38 118.13 1sqp h ARG 17 Ca 0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1sqp h ARG 17 Cb 0.29 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1sqp h ARG 17 CO 0.00 0.19 0.41 -0.22 -1.07 0.00 0.00 179.97 179.28 1sqp h LYS 18 N 0.29 1.09 -0.08 0.04 3.64 -1.27 0.36 116.57 120.64 1sqp h LYS 18 Ca 0.14 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1sqp h LYS 18 Cb 0.08 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1sqp h LYS 18 CO -0.12 0.81 0.04 2.35 -2.27 0.00 0.00 179.45 180.26 1sqp h TRP 19 N 1.09 0.10 0.07 1.91 7.01 -0.71 -2.43 115.95 122.99 1sqp h TRP 19 Ca 0.27 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 1sqp h TRP 19 Cb 0.05 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1sqp h TRP 19 CO 0.01 0.13 -0.03 -0.92 -2.79 0.00 0.00 178.44 174.84 1sqp h TYR 20 N 0.04 -0.08 -0.79 2.65 3.20 -0.04 -1.12 116.97 120.84 1sqp h TYR 20 Ca 0.03 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.05 1sqp h TYR 20 Cb 0.06 0.03 -0.15 0.00 1.54 0.00 0.00 36.73 38.21 1sqp h TYR 20 CO -0.05 0.02 -0.22 -0.92 -1.64 0.00 0.00 178.16 175.35 1sqp h TYR 21 N -0.17 -0.50 -0.21 -3.82 5.03 -0.98 0.49 116.97 116.81 1sqp h TYR 21 Ca -0.01 0.07 -0.08 0.00 2.58 0.00 0.00 58.73 61.29 1sqp h TYR 21 Cb 0.14 0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 1sqp h TYR 21 CO -0.05 -0.35 -0.22 -0.91 -1.32 0.00 0.00 178.16 175.31 1sqp h ASN 22 N -0.02 0.36 0.15 -2.11 -0.26 -0.97 -2.56 115.58 110.18 1sqp h ASN 22 Ca 0.37 -0.11 -0.19 0.00 -0.56 0.00 0.00 56.30 55.81 1sqp h ASN 22 Cb 0.58 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1sqp h ASN 22 CO -0.82 0.60 -0.72 0.00 -1.06 0.00 0.00 177.43 175.43 1sqp h ALA 23 N 1.44 0.55 -0.87 -0.83 0.00 0.08 -3.20 119.26 116.43 1sqp h ALA 23 Ca 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1sqp h ALA 23 Cb 0.58 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1sqp h ALA 23 CO 0.04 0.74 0.57 0.00 0.00 0.00 0.00 179.25 180.60 1sqp h ALA 24 N 0.86 1.49 -0.63 0.00 0.00 0.32 -3.47 119.26 117.83 1sqp h ALA 24 Ca -0.03 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 1sqp h ALA 24 Cb 1.30 -0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 1sqp h ALA 24 CO 0.13 0.41 -0.25 0.41 0.00 0.00 0.00 179.25 179.96 1sqp n GLY 25 N -1.40 1.38 0.17 0.00 0.00 -1.07 -4.88 105.19 99.39 1sqp n GLY 25 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 1sqp n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1sqp h PHE 26 N 0.00 0.24 -0.15 1.61 -5.15 -1.91 -2.91 116.94 108.67 1sqp h PHE 26 Ca -0.27 -0.08 0.04 0.00 -0.20 0.00 0.00 57.97 57.46 1sqp h PHE 26 Cb 0.94 -0.05 -0.01 0.00 0.22 0.00 0.00 35.95 37.06 1sqp h PHE 26 CO 0.42 0.69 0.18 -2.95 -2.00 0.00 0.00 178.31 174.65 1sqp h ASN 27 N 0.15 0.00 0.26 -0.68 -1.07 -1.88 0.62 115.58 112.99 1sqp h ASN 27 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.28 1sqp h ASN 27 Cb 1.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.24 1sqp h ASN 27 CO 0.08 0.00 -0.36 0.11 0.07 0.00 0.00 177.43 177.33 1sqp h LYS 28 N 0.00 0.14 -0.64 4.14 1.57 -1.85 -2.39 116.57 117.54 1sqp h LYS 28 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1sqp h LYS 28 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1sqp h LYS 28 CO -0.00 0.49 0.00 1.28 -0.57 0.00 0.00 179.45 180.65 1sqp n LEU 29 N -4.09 4.37 0.00 2.94 4.32 0.17 -0.68 117.00 124.03 1sqp n LEU 29 Ca -0.01 -2.20 0.00 0.00 -0.02 0.00 0.00 56.01 53.77 1sqp n LEU 29 Cb 0.42 -0.56 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1sqp n LEU 29 CO 0.40 0.71 0.00 0.61 -1.22 0.00 0.00 177.39 177.89 1sqp n GLY 30 N 1.01 0.70 3.80 -0.72 0.00 -0.94 -4.07 105.19 104.98 1sqp n GLY 30 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1sqp n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqp s LEU 31 N 0.00 3.10 0.17 0.99 1.43 -0.93 -4.77 118.68 118.67 1sqp s LEU 31 Ca 0.00 1.68 0.09 0.00 -1.03 0.00 0.00 54.13 54.86 1sqp s LEU 31 Cb 0.00 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1sqp s LEU 31 CO 0.00 -1.62 -0.09 -0.04 0.23 0.00 0.00 176.35 174.83 1sqp s MET 32 N -5.00 2.09 0.23 1.70 -1.94 -1.26 -4.22 119.30 110.90 1sqp s MET 32 Ca 0.59 -1.22 -0.09 0.00 -1.71 0.00 0.00 55.69 53.25 1sqp s MET 32 Cb -0.15 -2.19 0.37 0.00 2.01 0.00 0.00 34.83 34.86 1sqp s MET 32 CO 0.55 0.45 1.63 -0.09 -0.01 0.00 0.00 175.02 177.55 1sqp h ARG 33 N 3.00 0.06 0.00 2.03 2.43 -1.96 -0.40 114.38 119.53 1sqp h ARG 33 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1sqp h ARG 33 Cb 1.20 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1sqp h ARG 33 CO 0.54 0.04 0.00 -0.25 -1.51 0.00 0.00 179.97 178.79 1sqp n ASP 34 N -5.39 0.38 0.23 -3.80 8.00 -1.26 -1.74 116.55 112.96 1sqp n ASP 34 Ca 0.12 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.35 1sqp n ASP 34 Cb 0.42 -0.68 0.33 0.00 -0.02 0.00 0.00 41.12 41.17 1sqp n ASP 34 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1sqp h ASP 35 N 0.00 0.00 0.08 -2.24 3.32 -1.47 -3.29 116.42 112.82 1sqp h ASP 35 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sqp h ASP 35 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1sqp h ASP 35 CO 0.00 0.00 -0.75 0.35 -1.72 0.00 0.00 179.24 177.12 1sqp n THR 36 N -3.03 0.00 -1.73 0.35 -2.24 -0.71 -4.98 114.28 101.94 1sqp n THR 36 Ca 0.03 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1sqp n THR 36 Cb 0.46 0.93 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1sqp n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqp n ILE 37 N -1.06 2.12 -2.23 2.28 3.06 -1.23 -4.94 119.36 117.35 1sqp n ILE 37 Ca 0.06 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.39 1sqp n ILE 37 Cb 0.37 -1.72 -0.03 0.00 0.54 0.00 0.00 39.64 38.80 1sqp n ILE 37 CO 0.00 0.00 0.00 -2.28 -2.50 0.00 0.00 176.55 171.77 1sqp s HIS 38 N -1.12 2.79 -0.68 9.51 5.65 -1.26 -4.96 115.29 125.21 1sqp s HIS 38 Ca 0.56 0.80 -0.27 0.00 0.25 0.00 0.00 55.06 56.39 1sqp s HIS 38 Cb -0.52 -3.66 0.01 0.00 -1.18 0.00 0.00 32.58 27.23 1sqp s HIS 38 CO 0.62 -2.46 1.50 -1.21 -0.65 0.00 0.00 174.74 172.54 1sqp s GLU 39 N 2.64 2.99 0.03 2.88 2.02 -1.26 -4.83 118.70 123.16 1sqp s GLU 39 Ca 0.63 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.74 1sqp s GLU 39 Cb -0.30 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.68 1sqp s GLU 39 CO 0.25 -2.35 0.03 0.27 0.02 0.00 0.00 175.26 173.48 1sqp n ASN 40 N 10.63 0.41 0.00 -0.19 0.23 -1.26 -4.88 115.26 120.20 1sqp n ASN 40 Ca 0.10 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.58 52.96 1sqp n ASN 40 Cb 0.50 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 38.14 1sqp n ASN 40 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1sqp h ASP 41 N 0.01 0.05 -0.74 0.53 3.32 -1.98 0.27 116.42 117.89 1sqp h ASP 41 Ca -0.01 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1sqp h ASP 41 Cb 0.06 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1sqp h ASP 41 CO 0.02 0.05 0.41 0.44 -1.72 0.00 0.00 179.24 178.44 1sqp h ASP 42 N 0.09 0.60 -0.24 6.45 3.32 -1.97 0.32 116.42 125.00 1sqp h ASP 42 Ca 0.04 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1sqp h ASP 42 Cb 0.01 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1sqp h ASP 42 CO -0.03 0.37 -0.12 0.58 -1.72 0.00 0.00 179.24 178.32 1sqp h VAL 43 N 0.73 1.30 -0.68 -1.35 2.07 -1.79 -1.63 116.25 114.90 1sqp h VAL 43 Ca 0.34 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.73 1sqp h VAL 43 Cb 0.25 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1sqp h VAL 43 CO -0.21 0.37 0.45 0.11 0.02 0.00 0.00 177.57 178.31 1sqp h LYS 44 N 0.21 0.67 -0.22 1.57 1.57 0.23 0.20 116.57 120.79 1sqp h LYS 44 Ca 0.05 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1sqp h LYS 44 Cb 0.62 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1sqp h LYS 44 CO 0.04 0.44 -0.20 1.49 -0.57 0.00 0.00 179.45 180.65 1sqp h GLU 45 N 0.69 0.52 -0.52 3.15 4.57 -0.69 -1.78 114.58 120.53 1sqp h GLU 45 Ca 0.30 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 58.10 1sqp h GLU 45 Cb 0.28 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1sqp h GLU 45 CO -0.09 0.85 -0.10 0.00 -1.18 0.00 0.00 179.01 178.48 1sqp h ALA 46 N 0.67 0.85 -0.95 2.92 0.00 -0.31 -1.21 119.26 121.22 1sqp h ALA 46 Ca 0.04 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1sqp h ALA 46 Cb 0.74 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1sqp h ALA 46 CO 0.05 0.65 0.62 0.82 0.00 0.00 0.00 179.25 181.39 1sqp h ILE 47 N 0.85 1.06 -0.72 0.00 1.08 -0.55 -1.44 117.51 117.79 1sqp h ILE 47 Ca 0.14 -0.37 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1sqp h ILE 47 Cb 0.64 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 1sqp h ILE 47 CO 0.04 0.20 0.24 -0.09 -0.69 0.00 0.00 178.15 177.85 1sqp h ARG 48 N 1.08 1.11 0.00 2.37 2.43 -0.81 -2.63 114.38 117.93 1sqp h ARG 48 Ca 0.42 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1sqp h ARG 48 Cb 0.22 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1sqp h ARG 48 CO -0.17 0.94 0.00 0.54 -1.51 0.00 0.00 179.97 179.78 1sqp n ARG 49 N -4.30 0.15 -2.15 0.20 1.74 -0.50 -4.90 116.66 106.90 1sqp n ARG 49 Ca 0.06 0.06 -0.37 0.00 -0.77 0.00 0.00 57.85 56.82 1sqp n ARG 49 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1sqp n ARG 49 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sqp s LEU 50 N -2.82 3.93 0.81 0.55 1.43 -1.00 -5.01 118.68 116.57 1sqp s LEU 50 Ca 0.17 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 1sqp s LEU 50 Cb 0.17 -4.31 0.08 0.00 0.03 0.00 0.00 46.19 42.15 1sqp s LEU 50 CO 0.43 -1.12 1.09 -2.16 0.23 0.00 0.00 176.35 174.82 1sqp s PRO 51 N -2.85 1.97 0.19 1.29 0.04 -1.26 -4.77 135.00 129.61 1sqp s PRO 51 Ca 0.67 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 1sqp s PRO 51 Cb -0.30 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.53 1sqp s PRO 51 CO 0.36 -1.73 1.67 1.49 0.04 0.00 0.00 177.00 178.83 1sqp h GLU 52 N -1.17 0.07 -0.37 4.56 4.57 -1.99 -1.98 114.58 118.27 1sqp h GLU 52 Ca -0.47 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.75 1sqp h GLU 52 Cb 1.26 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.79 1sqp h GLU 52 CO 0.57 0.05 0.11 -2.95 -1.18 0.00 0.00 179.01 175.61 1sqp h ASN 53 N 0.07 0.10 -0.06 1.04 -1.07 -1.99 0.21 115.58 113.88 1sqp h ASN 53 Ca 0.26 0.05 -0.03 0.00 0.07 0.00 0.00 56.30 56.64 1sqp h ASN 53 Cb 0.39 0.04 -0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1sqp h ASN 53 CO -0.46 0.09 -0.08 -0.07 0.07 0.00 0.00 177.43 176.98 1sqp h LEU 54 N 0.25 0.18 -0.41 6.14 3.38 -1.87 -1.11 115.31 121.88 1sqp h LEU 54 Ca 0.17 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1sqp h LEU 54 Cb 0.16 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1sqp h LEU 54 CO -0.19 0.65 0.09 0.22 0.09 0.00 0.00 178.44 179.30 1sqp h TYR 55 N -0.29 0.15 -0.22 1.13 5.03 -1.16 0.98 116.97 122.58 1sqp h TYR 55 Ca 0.01 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.36 1sqp h TYR 55 Cb 0.60 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 1sqp h TYR 55 CO 0.10 0.02 0.09 -0.44 -1.32 0.00 0.00 178.16 176.61 1sqp h ASP 56 N 0.22 0.12 -0.90 -2.11 3.32 -0.35 -2.03 116.42 114.69 1sqp h ASP 56 Ca 0.20 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.31 1sqp h ASP 56 Cb 0.23 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 1sqp h ASP 56 CO -0.25 0.10 0.58 0.44 -1.72 0.00 0.00 179.24 178.39 1sqp h ASP 57 N 0.21 0.95 0.14 6.45 3.32 -0.85 -2.39 116.42 124.24 1sqp h ASP 57 Ca 0.09 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1sqp h ASP 57 Cb 0.04 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1sqp h ASP 57 CO -0.08 0.64 -0.21 -0.09 -1.72 0.00 0.00 179.24 177.78 1sqp h ARG 58 N 1.10 -0.40 -0.95 3.56 2.43 -0.54 -2.31 114.38 117.27 1sqp h ARG 58 Ca 0.37 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.69 1sqp h ARG 58 Cb 0.06 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 1sqp h ARG 58 CO -0.14 -0.27 0.58 0.28 -1.51 0.00 0.00 179.97 178.92 1sqp h VAL 59 N -0.42 0.89 -0.42 0.20 2.07 -0.89 -1.84 116.25 115.85 1sqp h VAL 59 Ca 0.02 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 1sqp h VAL 59 Cb 0.42 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1sqp h VAL 59 CO -0.10 0.17 -0.24 0.15 0.02 0.00 0.00 177.57 177.56 1sqp h PHE 60 N 0.91 1.00 -0.32 1.57 3.57 -1.24 -0.30 116.94 122.13 1sqp h PHE 60 Ca 0.48 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1sqp h PHE 60 Cb 0.50 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1sqp h PHE 60 CO -0.02 1.02 0.03 0.00 -2.23 0.00 0.00 178.31 177.11 1sqp h ARG 61 N 0.75 0.54 -0.78 1.11 3.08 -0.89 -0.34 114.38 117.85 1sqp h ARG 61 Ca 0.10 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1sqp h ARG 61 Cb 0.79 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1sqp h ARG 61 CO 0.07 0.65 0.33 0.82 -1.07 0.00 0.00 179.97 180.76 1sqp h ILE 62 N 0.36 1.26 0.03 2.04 2.04 -1.20 0.35 117.51 122.38 1sqp h ILE 62 Ca 0.09 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1sqp h ILE 62 Cb 0.38 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1sqp h ILE 62 CO 0.01 0.32 -0.01 0.50 0.00 0.00 0.00 178.15 178.97 1sqp h LYS 63 N 1.13 -0.04 -0.90 2.37 3.64 -0.83 0.18 116.57 122.11 1sqp h LYS 63 Ca 0.26 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1sqp h LYS 63 Cb 0.19 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1sqp h LYS 63 CO -0.03 0.06 0.52 -0.09 -2.27 0.00 0.00 179.45 177.64 1sqp h ARG 64 N -0.13 1.24 -0.02 1.90 2.43 -0.31 0.19 114.38 119.69 1sqp h ARG 64 Ca -0.00 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1sqp h ARG 64 Cb 0.11 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1sqp h ARG 64 CO 0.01 0.89 0.01 0.00 -1.51 0.00 0.00 179.97 179.37 1sqp h ALA 65 N 1.29 0.03 0.00 2.80 0.00 -0.08 -1.28 119.26 122.01 1sqp h ALA 65 Ca 0.32 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1sqp h ALA 65 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1sqp h ALA 65 CO -0.06 -0.44 -0.29 -0.07 0.00 0.00 0.00 179.25 178.39 1sqp h LEU 66 N -0.04 0.00 0.45 0.00 3.38 0.08 0.03 115.31 119.20 1sqp h LEU 66 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1sqp h LEU 66 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sqp h LEU 66 CO -0.00 0.29 -0.21 -0.78 0.09 0.00 0.00 178.44 177.83 1sqp h ASP 67 N 0.00 -0.51 -0.32 -0.43 3.58 -0.46 -2.24 116.42 116.03 1sqp h ASP 67 Ca -0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1sqp h ASP 67 Cb 0.59 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 1sqp h ASP 67 CO 0.04 -0.17 0.21 -0.07 -2.88 0.00 0.00 179.24 176.37 1sqp h LEU 68 N -0.89 0.37 -1.94 2.28 3.38 -0.98 -1.45 115.31 116.09 1sqp h LEU 68 Ca -0.06 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.08 1sqp h LEU 68 Cb 0.57 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1sqp h LEU 68 CO 0.10 0.28 0.49 -1.28 0.09 0.00 0.00 178.44 178.11 1sqp h SER 69 N 0.43 0.06 0.23 -0.43 0.87 -1.03 0.41 113.55 114.08 1sqp h SER 69 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1sqp h SER 69 Cb -0.04 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1sqp h SER 69 CO -0.02 0.03 -0.11 -0.03 -0.53 0.00 0.00 176.83 176.16 1sqp h MET 70 N 0.06 -0.29 0.00 2.24 1.85 -0.67 -3.30 114.93 114.82 1sqp h MET 70 Ca 0.33 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.44 1sqp h MET 70 Cb 1.22 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.32 1sqp h MET 70 CO -0.02 -0.17 0.00 2.89 -0.40 0.00 0.00 176.91 179.20 1sqp n ARG 71 N -4.98 0.25 -3.69 0.39 1.85 -0.03 -4.81 116.66 105.65 1sqp n ARG 71 Ca -0.04 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.56 1sqp n ARG 71 Cb 0.13 -1.47 0.06 0.00 -1.05 0.00 0.00 32.46 30.13 1sqp n ARG 71 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1sqp n GLN 72 N -0.97 -7.17 -4.52 2.89 1.13 0.12 -5.02 117.38 103.85 1sqp n GLN 72 Ca 0.06 0.76 -0.29 0.00 -1.94 0.00 0.00 57.00 55.59 1sqp n GLN 72 Cb 0.03 -5.76 -0.08 0.00 0.11 0.00 0.00 30.24 24.53 1sqp n GLN 72 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1sqp s GLN 73 N -6.36 2.11 0.32 -1.09 -1.52 -0.78 -5.00 119.66 107.35 1sqp s GLN 73 Ca 0.57 -2.15 0.04 0.00 -1.95 0.00 0.00 55.36 51.87 1sqp s GLN 73 Cb -0.26 -1.70 -0.06 0.00 -0.22 0.00 0.00 33.01 30.76 1sqp s GLN 73 CO 0.76 -0.21 0.06 0.96 -0.25 0.00 0.00 175.29 176.62 1sqp s ILE 74 N -2.75 1.11 0.59 1.08 -4.36 -1.26 -4.32 121.20 111.29 1sqp s ILE 74 Ca 0.27 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.51 1sqp s ILE 74 Cb 0.05 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 1sqp s ILE 74 CO 0.14 0.00 1.03 -0.76 0.24 0.00 0.00 174.94 175.60 1sqp s LEU 75 N -3.48 3.46 0.62 0.37 1.43 0.15 -5.02 118.68 116.21 1sqp s LEU 75 Ca 0.36 1.67 -0.17 0.00 -1.03 0.00 0.00 54.13 54.96 1sqp s LEU 75 Cb 0.08 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 1sqp s LEU 75 CO 0.15 -1.00 0.22 -2.65 0.23 0.00 0.00 176.35 173.30 1sqp n PRO 76 N -2.12 0.25 -0.23 1.29 -0.02 -1.26 -4.87 135.00 128.05 1sqp n PRO 76 Ca 0.08 0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1sqp n PRO 76 Cb 0.53 -1.45 0.31 0.00 -0.02 0.00 0.00 33.50 32.87 1sqp n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1sqp h LYS 77 N -0.09 0.84 0.00 -0.52 3.64 -1.96 -2.75 116.57 115.73 1sqp h LYS 77 Ca -0.44 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1sqp h LYS 77 Cb 1.40 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1sqp h LYS 77 CO 0.42 0.56 -0.40 1.05 -2.27 0.00 0.00 179.45 178.81 1sqp h GLU 78 N 0.87 0.00 -0.29 1.90 9.09 -2.02 -2.60 114.58 121.53 1sqp h GLU 78 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1sqp h GLU 78 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1sqp h GLU 78 CO -0.12 0.40 0.00 1.04 0.05 0.00 0.00 179.01 180.38 1sqp n GLN 79 N -4.06 2.12 -1.48 1.06 6.02 -1.04 -4.91 117.38 115.09 1sqp n GLN 79 Ca -0.02 -1.69 -0.32 0.00 -0.01 0.00 0.00 57.00 54.96 1sqp n GLN 79 Cb 0.43 -1.45 0.07 0.00 1.02 0.00 0.00 30.24 30.31 1sqp n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1sqp s TRP 80 N -1.62 2.72 -0.01 1.08 0.51 -0.98 -4.68 118.94 115.96 1sqp s TRP 80 Ca 0.35 1.52 -0.30 0.00 -2.12 0.00 0.00 56.10 55.55 1sqp s TRP 80 Cb 0.20 -3.04 -0.03 0.00 -0.81 0.00 0.00 33.47 29.79 1sqp s TRP 80 CO 0.28 -1.61 1.06 0.99 -0.51 0.00 0.00 176.95 177.16 1sqp s THR 81 N -2.78 4.59 0.16 2.01 2.01 -0.98 -5.01 115.64 115.65 1sqp s THR 81 Ca 0.62 1.86 -0.23 0.00 0.31 0.00 0.00 61.69 64.26 1sqp s THR 81 Cb -0.17 -4.20 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 1sqp s THR 81 CO 0.51 0.11 0.72 -0.54 -0.69 0.00 0.00 174.62 174.73 1sqp s LYS 82 N 1.31 4.41 0.40 4.92 1.02 -1.26 -4.81 119.74 125.72 1sqp s LYS 82 Ca 0.53 0.99 0.14 0.00 0.02 0.00 0.00 55.97 57.66 1sqp s LYS 82 Cb -0.23 -3.15 0.99 0.00 -0.52 0.00 0.00 37.83 34.92 1sqp s LYS 82 CO 0.26 0.54 1.89 -0.92 -0.92 0.00 0.00 175.35 176.19 1sqp h TYR 83 N 4.11 0.60 -0.24 3.18 3.20 -1.95 -1.65 116.97 124.21 1sqp h TYR 83 Ca -0.48 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.23 1sqp h TYR 83 Cb 1.20 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1sqp h TYR 83 CO 0.65 0.21 -0.54 0.93 -1.64 0.00 0.00 178.16 177.77 1sqp h GLU 84 N 0.49 0.78 -0.09 1.82 3.07 -2.02 -3.13 114.58 115.51 1sqp h GLU 84 Ca 0.42 -0.53 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1sqp h GLU 84 Cb 0.89 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1sqp h GLU 84 CO -0.16 1.15 0.00 0.39 -1.40 0.00 0.00 179.01 178.99 1sqp n GLU 85 N -4.08 1.26 -2.55 2.33 1.02 -0.65 -4.79 120.64 113.19 1sqp n GLU 85 Ca -0.05 -0.39 -0.41 0.00 -0.02 0.00 0.00 57.16 56.28 1sqp n GLU 85 Cb 0.62 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 1sqp n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sqp s ASP 86 N -1.22 6.20 -0.27 1.62 2.15 -1.03 -4.87 116.67 119.25 1sqp s ASP 86 Ca 0.16 -0.57 -0.29 0.00 0.43 0.00 0.00 52.55 52.28 1sqp s ASP 86 Cb 0.08 -2.56 -0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1sqp s ASP 86 CO 0.12 -1.80 1.31 -0.54 -0.17 0.00 0.00 175.17 174.09 1sqp s LYS 87 N 5.65 3.96 0.00 4.34 -0.14 -1.26 -4.92 119.74 127.37 1sqp s LYS 87 Ca 0.37 1.34 -0.03 0.00 -1.36 0.00 0.00 55.97 56.29 1sqp s LYS 87 Cb -0.07 -3.87 -0.12 0.00 -1.68 0.00 0.00 37.83 32.09 1sqp s LYS 87 CO 0.12 -1.06 2.71 0.45 -0.76 0.00 0.00 175.35 176.81 1sqp n SER 88 N 7.50 5.22 0.08 2.83 2.88 -1.26 -4.77 113.62 126.10 1sqp n SER 88 Ca 0.15 -2.42 0.21 0.00 -1.33 0.00 0.00 58.87 55.47 1sqp n SER 88 Cb 0.46 -1.24 0.72 0.00 -0.75 0.00 0.00 64.21 63.40 1sqp n SER 88 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1sqp h TYR 89 N 1.97 0.00 0.09 0.66 -0.00 -2.00 -1.94 116.97 115.75 1sqp h TYR 89 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 58.73 58.51 1sqp h TYR 89 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.93 1sqp h TYR 89 CO 0.95 0.00 -1.63 1.25 -0.00 0.00 0.00 178.16 178.72 1sqp h LEU 90 N 0.00 0.31 -0.80 0.10 6.46 -1.94 -3.43 115.31 116.01 1sqp h LEU 90 Ca 0.21 -0.50 0.15 0.00 -0.12 0.00 0.00 57.88 57.62 1sqp h LEU 90 Cb 1.21 -0.10 -0.15 0.00 -0.73 0.00 0.00 40.66 40.90 1sqp h LEU 90 CO -0.00 1.42 -0.28 -0.33 -0.62 0.00 0.00 178.44 178.64 1sqp h GLU 91 N 0.05 -0.04 -0.31 1.25 5.08 -1.76 -0.05 114.58 118.80 1sqp h GLU 91 Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1sqp h GLU 91 Cb 2.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 1sqp h GLU 91 CO 0.13 -0.03 0.04 -1.00 -1.00 0.00 0.00 179.01 177.15 1sqp h PRO 92 N -0.04 0.46 -0.29 2.33 0.13 -1.83 0.27 132.00 133.03 1sqp h PRO 92 Ca 0.34 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.34 1sqp h PRO 92 Cb 0.59 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1sqp h PRO 92 CO -0.83 0.46 -0.03 1.88 -0.23 0.00 0.00 178.00 179.25 1sqp h TYR 93 N 0.45 0.58 -0.11 1.56 0.05 -1.32 -2.19 116.97 115.98 1sqp h TYR 93 Ca 0.10 -0.11 -0.15 0.00 0.05 0.00 0.00 58.73 58.62 1sqp h TYR 93 Cb 0.24 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1sqp h TYR 93 CO 0.01 0.69 -0.57 1.25 -1.05 0.00 0.00 178.16 178.48 1sqp h LEU 94 N 0.30 0.40 -0.94 3.88 5.85 -0.93 -2.44 115.31 121.45 1sqp h LEU 94 Ca 0.08 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1sqp h LEU 94 Cb 0.48 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1sqp h LEU 94 CO 0.02 0.89 0.62 0.50 -0.34 0.00 0.00 178.44 180.12 1sqp h LYS 95 N 0.27 1.19 -0.09 1.25 3.64 -0.36 -2.00 116.57 120.47 1sqp h LYS 95 Ca -0.00 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1sqp h LYS 95 Cb 1.09 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1sqp h LYS 95 CO 0.10 0.79 -0.57 1.49 -2.27 0.00 0.00 179.45 178.98 1sqp h GLU 96 N 1.23 0.28 -0.13 1.90 4.57 -1.00 -0.97 114.58 120.47 1sqp h GLU 96 Ca 0.36 -0.18 -0.23 0.00 -1.18 0.00 0.00 59.36 58.12 1sqp h GLU 96 Cb -0.07 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1sqp h GLU 96 CO -0.10 0.78 -0.83 0.28 -1.18 0.00 0.00 179.01 177.96 1sqp h VAL 97 N 0.22 1.28 -0.22 0.32 2.07 -1.19 -1.15 116.25 117.58 1sqp h VAL 97 Ca -0.00 -2.03 -0.15 0.00 0.82 0.00 0.00 66.70 65.34 1sqp h VAL 97 Cb 1.07 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1sqp h VAL 97 CO 0.09 0.64 -0.48 0.40 0.02 0.00 0.00 177.57 178.24 1sqp h ILE 98 N 0.51 1.31 -0.19 4.57 2.04 -1.23 0.02 117.51 124.55 1sqp h ILE 98 Ca -0.07 -1.69 -0.12 0.00 1.00 0.00 0.00 64.86 63.98 1sqp h ILE 98 Cb 1.46 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1sqp h ILE 98 CO 0.17 0.53 -0.40 -0.09 0.00 0.00 0.00 178.15 178.36 1sqp h ARG 99 N 0.46 0.42 -0.09 2.37 2.43 -1.03 0.07 114.38 119.01 1sqp h ARG 99 Ca 0.02 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1sqp h ARG 99 Cb 1.01 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1sqp h ARG 99 CO 0.09 0.75 -0.39 0.93 -1.51 0.00 0.00 179.97 179.85 1sqp h GLU 100 N 0.35 0.42 -0.83 0.20 5.08 -1.05 -2.70 114.58 116.05 1sqp h GLU 100 Ca 0.03 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1sqp h GLU 100 Cb 0.85 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1sqp h GLU 100 CO 0.07 0.97 0.45 -0.09 -1.00 0.00 0.00 179.01 179.40 1sqp h ARG 101 N -0.02 1.16 -0.10 2.33 2.43 -0.67 -2.64 114.38 116.87 1sqp h ARG 101 Ca -0.02 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 58.90 1sqp h ARG 101 Cb 1.03 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1sqp h ARG 101 CO 0.08 0.86 -0.44 0.87 -1.51 0.00 0.00 179.97 179.82 1sqp h LYS 102 N 1.16 0.24 -0.74 0.20 1.79 -0.86 -0.39 116.57 117.97 1sqp h LYS 102 Ca 0.29 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.58 1sqp h LYS 102 Cb 0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1sqp h LYS 102 CO -0.05 0.64 0.23 1.49 -1.08 0.00 0.00 179.45 180.68 1sqp h GLU 103 N 0.20 1.15 0.07 3.15 4.81 -1.24 0.18 114.58 122.91 1sqp h GLU 103 Ca 0.01 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1sqp h GLU 103 Cb 0.87 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1sqp h GLU 103 CO 0.07 0.98 -0.04 0.00 -0.73 0.00 0.00 179.01 179.29 1sqp h ARG 104 N 1.10 -0.10 0.00 1.92 3.08 -0.98 0.46 114.38 119.87 1sqp h ARG 104 Ca 0.24 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1sqp h ARG 104 Cb 0.31 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1sqp h ARG 104 CO -0.01 0.08 -0.02 0.93 -1.07 0.00 0.00 179.97 179.89 1sqp h GLU 105 N -0.26 0.00 0.13 0.04 5.08 -0.78 0.15 114.58 118.94 1sqp h GLU 105 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1sqp h GLU 105 Cb 0.23 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.50 1sqp h GLU 105 CO 0.02 0.02 -1.26 1.49 -1.00 0.00 0.00 179.01 178.27 1sqp h GLU 106 N 0.00 0.57 -0.23 2.33 4.57 -0.35 -3.25 114.58 118.23 1sqp h GLU 106 Ca -0.00 -0.79 -0.13 0.00 -1.18 0.00 0.00 59.36 57.26 1sqp h GLU 106 Cb 0.04 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1sqp h GLU 106 CO 0.00 1.36 -0.40 -1.49 -1.18 0.00 0.00 179.01 177.30 1sqp h TRP 107 N 0.24 0.62 0.00 0.92 4.06 0.14 -2.93 115.95 119.00 1sqp h TRP 107 Ca -0.19 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1sqp h TRP 107 Cb 1.94 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 29.96 1sqp h TRP 107 CO 0.11 0.84 0.00 0.00 -3.56 0.00 0.00 178.44 175.83 1sqp h ALA 108 N 1.14 1.00 0.10 1.49 0.00 -0.89 -3.03 119.26 119.07 1sqp h ALA 108 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1sqp h ALA 108 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1sqp h ALA 108 CO 0.08 0.00 -1.50 0.87 0.00 0.00 0.00 179.25 178.69 1sqp h LYS 109 N 0.00 0.22 0.00 0.00 1.57 -1.54 -3.51 116.57 113.30 1sqp h LYS 109 Ca 0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1sqp h LYS 109 Cb 0.21 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1sqp h LYS 109 CO 0.00 1.07 0.00 0.36 -0.57 0.00 0.00 179.45 180.31