#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq3 s ILE 4 N 0.00 3.25 0.69 2.46 2.07 -1.26 -4.96 121.20 123.45 1sq3 s ILE 4 Ca 0.00 1.12 -0.08 0.00 -1.41 0.00 0.00 60.65 60.28 1sq3 s ILE 4 Cb 0.00 -3.71 0.04 0.00 0.13 0.00 0.00 42.46 38.92 1sq3 s ILE 4 CO 0.00 0.21 1.02 -0.94 -1.91 0.00 0.00 174.94 173.33 1sq3 s SER 5 N -0.14 5.05 0.25 4.50 1.04 -1.26 -4.92 113.70 118.23 1sq3 s SER 5 Ca 0.52 0.67 0.03 0.00 0.48 0.00 0.00 55.95 57.65 1sq3 s SER 5 Cb -0.35 -1.41 0.32 0.00 0.10 0.00 0.00 66.02 64.68 1sq3 s SER 5 CO 0.41 -1.47 1.63 -0.33 0.98 0.00 0.00 173.24 174.46 1sq3 h GLU 6 N -0.57 0.36 -1.28 4.02 4.39 -2.05 -1.91 114.58 117.54 1sq3 h GLU 6 Ca -0.45 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1sq3 h GLU 6 Cb 1.29 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1sq3 h GLU 6 CO 0.62 0.75 0.00 1.17 -1.16 0.00 0.00 179.01 180.39 1sq3 n LYS 7 N -3.99 0.62 0.00 2.33 4.81 -1.26 -2.02 118.16 118.66 1sq3 n LYS 7 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1sq3 n LYS 7 Cb 0.53 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.37 1sq3 n LYS 7 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1sq3 n VAL 9 N 0.63 0.00 -0.31 3.15 0.31 -0.72 -1.86 118.33 119.52 1sq3 n VAL 9 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1sq3 n VAL 9 Cb 0.29 0.00 0.20 0.00 -0.91 0.00 0.00 33.84 33.42 1sq3 n VAL 9 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1sq3 h GLU 10 N 0.00 0.80 -0.23 5.55 4.81 -1.68 0.36 114.58 124.18 1sq3 h GLU 10 Ca 0.00 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 1sq3 h GLU 10 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1sq3 h GLU 10 CO 0.00 0.53 -0.48 0.00 -0.73 0.00 0.00 179.01 178.33 1sq3 h ALA 11 N 1.50 0.72 -0.10 2.92 0.00 -1.63 -1.12 119.26 121.56 1sq3 h ALA 11 Ca 0.44 -0.48 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1sq3 h ALA 11 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sq3 h ALA 11 CO -0.27 0.67 -0.67 -0.07 0.00 0.00 0.00 179.25 178.91 1sq3 h LEU 12 N 0.49 0.48 -1.22 0.00 3.38 -1.67 -2.24 115.31 114.53 1sq3 h LEU 12 Ca 0.03 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1sq3 h LEU 12 Cb 1.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1sq3 h LEU 12 CO 0.09 1.01 0.52 0.78 0.09 0.00 0.00 178.44 180.94 1sq3 h ASN 13 N 0.29 0.91 0.33 -0.43 2.35 0.12 -0.82 115.58 118.34 1sq3 h ASN 13 Ca -0.02 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.54 1sq3 h ASN 13 Cb 1.22 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1sq3 h ASN 13 CO 0.12 0.66 -0.69 0.03 -1.65 0.00 0.00 177.43 175.90 1sq3 h ARG 14 N 1.07 0.32 0.00 0.81 2.47 -0.99 -2.54 114.38 115.52 1sq3 h ARG 14 Ca 0.29 -0.25 -0.13 0.00 -1.26 0.00 0.00 59.98 58.63 1sq3 h ARG 14 Cb -0.12 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 1sq3 h ARG 14 CO -0.06 0.88 -0.64 0.37 0.56 0.00 0.00 179.97 181.09 1sq3 h GLN 15 N 0.22 0.00 0.41 0.04 5.75 -0.98 -0.31 115.11 120.24 1sq3 h GLN 15 Ca -0.02 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1sq3 h GLN 15 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1sq3 h GLN 15 CO 0.11 0.64 -0.20 0.82 -2.65 0.00 0.00 178.83 177.55 1sq3 h ILE 16 N 0.00 0.58 -0.91 2.39 2.04 -1.05 0.29 117.51 120.84 1sq3 h ILE 16 Ca -0.01 -0.30 0.25 0.00 1.00 0.00 0.00 64.86 65.80 1sq3 h ILE 16 Cb 1.16 0.72 -0.15 0.00 -0.74 0.00 0.00 36.82 37.81 1sq3 h ILE 16 CO 0.08 0.06 0.20 -1.13 0.00 0.00 0.00 178.15 177.36 1sq3 h ASN 17 N -0.74 -0.10 -0.26 1.72 -1.24 -1.23 0.12 115.58 113.85 1sq3 h ASN 17 Ca -0.06 0.22 -0.09 0.00 0.71 0.00 0.00 56.30 57.08 1sq3 h ASN 17 Cb 0.52 0.32 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 1sq3 h ASN 17 CO 0.09 -0.22 -0.13 0.00 -1.29 0.00 0.00 177.43 175.88 1sq3 h ALA 18 N 1.84 1.06 -0.34 1.57 0.00 -0.36 0.23 119.26 123.25 1sq3 h ALA 18 Ca 0.58 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1sq3 h ALA 18 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1sq3 h ALA 18 CO -0.73 0.57 -0.34 0.93 0.00 0.00 0.00 179.25 179.68 1sq3 h GLU 19 N 0.62 0.78 -0.34 0.00 4.39 0.13 -0.98 114.58 119.16 1sq3 h GLU 19 Ca 0.10 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.30 1sq3 h GLU 19 Cb 0.58 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1sq3 h GLU 19 CO 0.04 1.00 -0.28 0.82 -1.16 0.00 0.00 179.01 179.43 1sq3 h ILE 20 N 0.65 1.29 -0.37 3.13 2.04 -0.15 -1.75 117.51 122.35 1sq3 h ILE 20 Ca 0.06 -1.44 0.06 0.00 1.00 0.00 0.00 64.86 64.55 1sq3 h ILE 20 Cb 0.89 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.37 1sq3 h ILE 20 CO 0.08 0.47 0.07 0.22 0.00 0.00 0.00 178.15 178.99 1sq3 h TYR 21 N 0.57 0.11 -1.01 1.37 3.20 -0.43 0.10 116.97 120.88 1sq3 h TYR 21 Ca 0.06 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1sq3 h TYR 21 Cb 0.85 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 1sq3 h TYR 21 CO 0.07 0.01 0.65 0.77 -1.64 0.00 0.00 178.16 178.02 1sq3 h SER 22 N 0.19 1.07 -0.05 -2.11 0.02 -0.87 0.67 113.55 112.46 1sq3 h SER 22 Ca 0.18 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1sq3 h SER 22 Cb 0.21 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1sq3 h SER 22 CO -0.24 0.70 -0.12 0.00 -1.14 0.00 0.00 176.83 176.03 1sq3 h ALA 23 N 1.44 -0.09 -0.21 3.77 0.00 -0.43 -0.96 119.26 122.77 1sq3 h ALA 23 Ca 0.42 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 1sq3 h ALA 23 Cb 0.11 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sq3 h ALA 23 CO -0.16 -0.60 -0.09 -0.92 0.00 0.00 0.00 179.25 177.49 1sq3 h TYR 24 N -0.18 0.34 -0.47 0.00 3.20 0.96 0.90 116.97 121.71 1sq3 h TYR 24 Ca 0.06 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1sq3 h TYR 24 Cb 0.26 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1sq3 h TYR 24 CO -0.20 0.42 0.08 1.25 -1.64 0.00 0.00 178.16 178.06 1sq3 h LEU 25 N 0.31 0.75 -1.09 2.82 5.85 0.79 -1.42 115.31 123.31 1sq3 h LEU 25 Ca 0.07 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1sq3 h LEU 25 Cb 0.35 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1sq3 h LEU 25 CO 0.02 0.81 -0.42 1.88 -0.34 0.00 0.00 178.44 180.39 1sq3 h TYR 26 N 0.65 0.00 -0.06 1.25 0.05 -0.18 -1.08 116.97 117.60 1sq3 h TYR 26 Ca 0.14 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.79 1sq3 h TYR 26 Cb 0.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1sq3 h TYR 26 CO 0.03 0.42 -0.56 1.25 -1.05 0.00 0.00 178.16 178.25 1sq3 h LEU 27 N 0.00 0.19 -1.80 3.88 5.85 -0.43 -0.84 115.31 122.17 1sq3 h LEU 27 Ca -0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1sq3 h LEU 27 Cb 0.81 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1sq3 h LEU 27 CO 0.06 0.71 0.00 -0.24 -0.34 0.00 0.00 178.44 178.63 1sq3 n SER 28 N -3.90 1.52 0.00 1.25 2.88 -0.41 -2.88 113.62 112.08 1sq3 n SER 28 Ca -0.02 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 1sq3 n SER 28 Cb 0.58 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1sq3 n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sq3 n ALA 30 N 0.61 0.00 -0.33 -1.46 0.00 -0.32 -2.21 120.51 116.79 1sq3 n ALA 30 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1sq3 n ALA 30 Cb 0.26 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.81 1sq3 n ALA 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sq3 h SER 31 N 0.00 1.01 -0.21 0.00 0.87 -1.81 0.37 113.55 113.78 1sq3 h SER 31 Ca 0.00 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 1sq3 h SER 31 Cb 0.00 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1sq3 h SER 31 CO 0.00 0.72 -0.43 0.22 -0.53 0.00 0.00 176.83 176.81 1sq3 h TYR 32 N 1.19 0.93 0.00 2.24 3.20 -1.73 0.23 116.97 123.03 1sq3 h TYR 32 Ca 0.33 -0.29 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 1sq3 h TYR 32 Cb -0.11 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 1sq3 h TYR 32 CO -0.01 1.07 -0.65 0.74 -1.64 0.00 0.00 178.16 177.66 1sq3 h PHE 33 N 0.62 0.00 -0.30 -3.82 0.04 -1.81 -2.58 116.94 109.10 1sq3 h PHE 33 Ca 0.04 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.64 1sq3 h PHE 33 Cb 1.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 1sq3 h PHE 33 CO 0.05 0.65 -0.47 0.22 -0.60 0.00 0.00 178.31 178.16 1sq3 h ASP 34 N 0.00 0.93 -0.58 2.17 1.82 -0.67 -0.26 116.42 119.84 1sq3 h ASP 34 Ca -0.01 -0.52 0.07 0.00 -0.39 0.00 0.00 57.03 56.19 1sq3 h ASP 34 Cb 1.37 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 41.08 1sq3 h ASP 34 CO 0.08 1.27 0.38 0.77 -1.61 0.00 0.00 179.24 180.14 1sq3 h SER 35 N 0.62 0.45 -0.48 2.28 4.64 -0.24 -2.58 113.55 118.24 1sq3 h SER 35 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1sq3 h SER 35 Cb 1.08 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1sq3 h SER 35 CO 0.11 0.29 0.00 2.30 -0.87 0.00 0.00 176.83 178.66 1sq3 n ILE 36 N -4.48 2.32 -0.03 0.95 -5.35 -1.00 -4.95 119.36 106.83 1sq3 n ILE 36 Ca 0.08 -1.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 1sq3 n ILE 36 Cb 0.27 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 1sq3 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sq3 n GLY 37 N 0.38 0.38 3.07 3.28 0.00 -0.97 -5.00 105.19 106.33 1sq3 n GLY 37 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1sq3 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sq3 n LEU 38 N 0.00 6.21 0.17 0.99 4.77 -0.13 -4.79 117.00 124.23 1sq3 n LEU 38 Ca 0.00 -4.86 0.14 0.00 -0.03 0.00 0.00 56.01 51.26 1sq3 n LEU 38 Cb 0.00 -1.43 0.52 0.00 -2.33 0.00 0.00 43.42 40.17 1sq3 n LEU 38 CO 0.00 1.38 0.90 0.11 -1.33 0.00 0.00 177.39 178.44 1sq3 h LYS 39 N 5.98 0.00 0.02 3.23 1.57 -1.92 -0.70 116.57 124.74 1sq3 h LYS 39 Ca 0.29 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1sq3 h LYS 39 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1sq3 h LYS 39 CO 1.39 0.00 -0.60 0.78 -0.57 0.00 0.00 179.45 180.46 1sq3 h GLY 40 N 2.60 0.42 1.00 3.86 0.00 -1.87 -0.74 103.07 108.35 1sq3 h GLY 40 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1sq3 h GLY 40 CO 0.00 0.68 0.21 0.74 0.00 0.00 0.00 176.54 178.17 1sq3 h PHE 41 N -0.17 0.40 -0.83 5.60 -1.00 -1.46 -2.22 116.94 117.27 1sq3 h PHE 41 Ca -0.08 0.01 0.17 0.00 2.81 0.00 0.00 57.97 60.88 1sq3 h PHE 41 Cb 1.33 -0.14 -0.10 0.00 3.61 0.00 0.00 35.95 40.65 1sq3 h PHE 41 CO 0.16 0.26 0.37 1.03 -1.61 0.00 0.00 178.31 178.51 1sq3 h SER 42 N 0.43 0.36 -0.27 2.17 0.87 -1.14 -0.61 113.55 115.36 1sq3 h SER 42 Ca 0.12 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1sq3 h SER 42 Cb -0.04 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1sq3 h SER 42 CO -0.02 0.11 0.17 -1.13 -0.53 0.00 0.00 176.83 175.42 1sq3 h ASN 43 N 0.48 0.29 0.00 6.23 -0.73 -0.70 -1.11 115.58 120.05 1sq3 h ASN 43 Ca 0.47 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.64 1sq3 h ASN 43 Cb 0.76 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.29 1sq3 h ASN 43 CO -0.43 0.21 0.00 1.87 -0.37 0.00 0.00 177.43 178.71 1sq3 n TRP 44 N -4.91 0.00 0.00 0.67 -0.00 -0.24 -1.47 117.44 111.49 1sq3 n TRP 44 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1sq3 n TRP 44 Cb 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.34 1sq3 n TRP 44 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1sq3 n ARG 46 N 0.37 0.00 -0.07 5.87 5.12 -0.42 -1.20 116.66 126.33 1sq3 n ARG 46 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1sq3 n ARG 46 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1sq3 n ARG 46 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sq3 h VAL 47 N 0.00 1.33 -0.02 1.55 2.07 -1.53 -1.38 116.25 118.27 1sq3 h VAL 47 Ca 0.00 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 1sq3 h VAL 47 Cb 0.00 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1sq3 h VAL 47 CO 0.00 0.47 -0.19 -0.61 0.02 0.00 0.00 177.57 177.27 1sq3 h GLN 48 N 0.26 0.03 -0.54 1.57 5.75 -1.40 0.14 115.11 120.92 1sq3 h GLN 48 Ca 0.02 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 1sq3 h GLN 48 Cb 0.90 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 1sq3 h GLN 48 CO 0.07 0.22 0.07 2.35 -2.65 0.00 0.00 178.83 178.89 1sq3 h TRP 49 N 0.03 0.93 -0.08 3.99 2.91 -1.70 0.40 115.95 122.43 1sq3 h TRP 49 Ca 0.00 -0.11 -0.18 0.00 1.13 0.00 0.00 58.89 59.73 1sq3 h TRP 49 Cb 0.35 -0.26 0.01 0.00 -0.51 0.00 0.00 29.16 28.75 1sq3 h TRP 49 CO 0.00 0.81 -0.65 1.96 -1.03 0.00 0.00 178.44 179.53 1sq3 h GLN 50 N 0.83 0.58 -0.73 2.65 4.20 -0.25 -2.46 115.11 119.93 1sq3 h GLN 50 Ca 0.17 -0.52 0.02 0.00 0.06 0.00 0.00 58.65 58.38 1sq3 h GLN 50 Cb 0.40 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1sq3 h GLN 50 CO 0.01 1.14 0.47 1.49 -0.67 0.00 0.00 178.83 181.27 1sq3 h GLU 51 N 0.19 0.92 0.00 1.46 4.81 -0.51 -1.91 114.58 119.54 1sq3 h GLU 51 Ca -0.06 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1sq3 h GLU 51 Cb 1.30 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1sq3 h GLU 51 CO 0.13 0.61 -0.48 0.93 -0.73 0.00 0.00 179.01 179.48 1sq3 h GLU 52 N 0.95 0.00 -1.70 1.92 4.39 -0.89 -0.61 114.58 118.64 1sq3 h GLU 52 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1sq3 h GLU 52 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1sq3 h GLU 52 CO -0.08 0.48 0.00 1.28 -1.16 0.00 0.00 179.01 179.53 1sq3 n LEU 53 N -3.69 0.97 0.00 1.33 4.32 -0.72 -1.91 117.00 117.30 1sq3 n LEU 53 Ca -0.01 -0.48 0.00 0.00 -0.02 0.00 0.00 56.01 55.50 1sq3 n LEU 53 Cb 0.54 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1sq3 n LEU 53 CO 0.39 0.16 0.00 1.41 -1.22 0.00 0.00 177.39 178.13 1sq3 n HIS 55 N 0.88 0.00 0.60 -1.77 8.25 -0.24 -4.65 115.22 118.29 1sq3 n HIS 55 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sq3 n HIS 55 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1sq3 n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sq3 n ALA 56 N 0.00 1.97 -0.59 -1.41 0.00 -0.80 -4.72 120.51 114.95 1sq3 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sq3 n ALA 56 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1sq3 n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sq3 n LYS 58 N 0.38 -0.73 0.00 0.00 4.81 -1.26 -4.65 118.16 116.71 1sq3 n LYS 58 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sq3 n LYS 58 Cb 0.20 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1sq3 n LYS 58 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sq3 n PHE 60 N -0.59 0.00 -0.21 5.64 -0.00 -1.26 -2.05 117.46 118.99 1sq3 n PHE 60 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 1sq3 n PHE 60 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 39.54 1sq3 n PHE 60 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1sq3 h ASP 61 N 0.00 1.01 -0.72 -2.13 3.32 -1.98 -2.56 116.42 113.37 1sq3 h ASP 61 Ca 0.00 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1sq3 h ASP 61 Cb 0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1sq3 h ASP 61 CO 0.00 1.04 0.29 0.15 -1.72 0.00 0.00 179.24 179.00 1sq3 h PHE 62 N 0.97 1.09 -0.44 4.55 3.57 -1.81 0.28 116.94 125.15 1sq3 h PHE 62 Ca 0.18 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1sq3 h PHE 62 Cb 0.49 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1sq3 h PHE 62 CO 0.03 0.84 0.14 0.28 -2.23 0.00 0.00 178.31 177.37 1sq3 h VAL 63 N 1.03 1.22 0.30 1.41 2.07 -1.82 -1.83 116.25 118.62 1sq3 h VAL 63 Ca 0.24 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1sq3 h VAL 63 Cb 0.20 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1sq3 h VAL 63 CO -0.02 0.26 -0.49 0.28 0.02 0.00 0.00 177.57 177.62 1sq3 h SER 64 N 0.57 -1.41 -1.09 0.57 0.02 -1.10 -0.63 113.55 110.48 1sq3 h SER 64 Ca 0.14 0.13 0.29 0.00 -0.84 0.00 0.00 61.79 61.52 1sq3 h SER 64 Cb 0.25 0.50 -0.09 0.00 0.14 0.00 0.00 62.40 63.20 1sq3 h SER 64 CO -0.01 -0.59 0.72 -0.33 -1.14 0.00 0.00 176.83 175.48 1sq3 h GLU 65 N -0.84 0.28 -0.03 3.45 5.08 0.07 0.63 114.58 123.21 1sq3 h GLU 65 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sq3 h GLU 65 Cb 0.79 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1sq3 h GLU 65 CO -0.17 0.18 0.00 0.54 -1.00 0.00 0.00 179.01 178.56 1sq3 n ARG 66 N -4.54 1.32 -1.00 2.33 5.12 -0.74 -4.93 116.66 114.22 1sq3 n ARG 66 Ca 0.26 -0.47 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 1sq3 n ARG 66 Cb 0.99 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.85 1sq3 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sq3 n GLY 67 N 1.04 0.66 3.81 -0.13 0.00 0.22 -4.65 105.19 106.14 1sq3 n GLY 67 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1sq3 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sq3 s GLY 68 N -2.00 1.58 -0.19 -0.02 0.00 -0.26 -4.99 107.32 101.44 1sq3 s GLY 68 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 1sq3 s GLY 68 CO 0.00 0.01 -0.07 -1.60 0.00 0.00 0.00 173.10 171.44 1sq3 s ARG 69 N -5.33 3.40 -0.23 2.90 6.06 -1.26 -4.12 118.95 120.37 1sq3 s ARG 69 Ca 0.63 -0.63 -0.29 0.00 -2.50 0.00 0.00 55.73 52.94 1sq3 s ARG 69 Cb -0.14 -2.90 0.01 0.00 0.06 0.00 0.00 34.95 31.97 1sq3 s ARG 69 CO 0.52 -0.06 1.09 0.08 -2.50 0.00 0.00 175.30 174.44 1sq3 s VAL 70 N 1.09 4.58 -0.04 7.11 1.01 -1.26 -4.92 120.40 127.97 1sq3 s VAL 70 Ca 0.01 1.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.73 1sq3 s VAL 70 Cb -0.15 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1sq3 s VAL 70 CO -0.01 -0.21 0.43 -0.75 0.00 0.00 0.00 175.10 174.56 1sq3 s LYS 71 N 3.32 4.07 -0.14 2.72 2.47 -1.26 -5.10 119.74 125.82 1sq3 s LYS 71 Ca 0.46 0.42 -0.05 0.00 -1.56 0.00 0.00 55.97 55.24 1sq3 s LYS 71 Cb -0.16 -3.29 -0.04 0.00 -1.46 0.00 0.00 37.83 32.88 1sq3 s LYS 71 CO 0.09 0.52 0.05 -0.51 0.16 0.00 0.00 175.35 175.65 1sq3 s LEU 72 N -0.52 3.78 0.28 5.43 1.43 -1.26 -4.86 118.68 122.96 1sq3 s LEU 72 Ca 0.24 0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1sq3 s LEU 72 Cb -0.16 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1sq3 s LEU 72 CO 0.12 0.28 -0.08 -0.31 0.23 0.00 0.00 176.35 176.59 1sq3 s TYR 73 N -0.26 2.52 0.17 0.29 2.02 -1.26 -5.08 117.35 115.74 1sq3 s TYR 73 Ca 0.08 -0.29 -0.32 0.00 -0.37 0.00 0.00 57.07 56.16 1sq3 s TYR 73 Cb -0.12 -1.14 -0.16 0.00 -0.40 0.00 0.00 41.96 40.13 1sq3 s TYR 73 CO 0.02 0.65 1.03 0.00 -1.57 0.00 0.00 175.55 175.67 1sq3 n ALA 74 N -0.79 -1.41 -2.58 3.71 0.00 -1.26 -4.95 120.51 113.23 1sq3 n ALA 74 Ca -0.06 0.47 -0.39 0.00 0.00 0.00 0.00 53.44 53.47 1sq3 n ALA 74 Cb 0.60 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 1sq3 n ALA 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sq3 s VAL 75 N -0.39 5.00 0.33 0.00 1.01 -1.26 -5.06 120.40 120.03 1sq3 s VAL 75 Ca 0.72 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 63.63 1sq3 s VAL 75 Cb -0.90 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 31.47 1sq3 s VAL 75 CO 0.54 0.38 0.98 -1.61 0.00 0.00 0.00 175.10 175.39 1sq3 s GLU 76 N 0.11 4.52 0.05 2.72 0.41 -1.26 -4.99 118.70 120.26 1sq3 s GLU 76 Ca 0.30 1.40 -0.34 0.00 -0.41 0.00 0.00 54.97 55.93 1sq3 s GLU 76 Cb -0.17 -2.80 -0.13 0.00 -1.78 0.00 0.00 34.13 29.25 1sq3 s GLU 76 CO 0.15 0.21 1.74 -1.91 -0.49 0.00 0.00 175.26 174.96 1sq3 n GLU 77 N 0.52 2.24 -2.22 1.61 2.13 -1.26 -4.99 120.64 118.68 1sq3 n GLU 77 Ca 0.02 0.82 -0.26 0.00 0.66 0.00 0.00 57.16 58.39 1sq3 n GLU 77 Cb 0.49 -2.63 0.11 0.00 0.27 0.00 0.00 31.44 29.68 1sq3 n GLU 77 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1sq3 s PRO 78 N 2.51 1.64 0.92 5.31 0.04 -1.26 -5.09 135.00 139.07 1sq3 s PRO 78 Ca 0.85 -0.50 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 1sq3 s PRO 78 Cb -0.66 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 31.90 1sq3 s PRO 78 CO 0.44 -1.61 1.10 -2.14 0.04 0.00 0.00 177.00 174.83 1sq3 s PRO 79 N -5.40 1.07 0.00 0.56 0.02 -1.26 -5.04 135.00 124.96 1sq3 s PRO 79 Ca 0.65 0.58 0.00 0.00 0.02 0.00 0.00 61.00 62.25 1sq3 s PRO 79 Cb -0.08 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1sq3 s PRO 79 CO 0.47 -2.31 0.00 -1.13 -0.33 0.00 0.00 177.00 173.70 1sq3 n SER 80 N -3.89 0.00 -4.31 2.53 3.41 -1.26 -4.86 113.62 105.24 1sq3 n SER 80 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.44 1sq3 n SER 80 Cb 0.57 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.40 1sq3 n SER 80 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sq3 s GLU 81 N 0.00 1.18 0.09 4.33 0.41 -1.26 -4.72 118.70 118.73 1sq3 s GLU 81 Ca 0.00 -1.25 0.03 0.00 -0.41 0.00 0.00 54.97 53.34 1sq3 s GLU 81 Cb 0.00 -1.40 -0.04 0.00 -1.78 0.00 0.00 34.13 30.92 1sq3 s GLU 81 CO 0.00 0.31 -0.09 -1.58 -0.49 0.00 0.00 175.26 173.42 1sq3 s TRP 82 N -1.43 0.93 0.40 1.61 0.51 -1.26 -5.04 118.94 114.67 1sq3 s TRP 82 Ca 0.10 -0.70 0.33 0.00 -2.12 0.00 0.00 56.10 53.71 1sq3 s TRP 82 Cb -0.09 -0.52 1.68 0.00 -0.81 0.00 0.00 33.47 33.73 1sq3 s TRP 82 CO 0.05 -0.06 2.13 -0.44 -0.51 0.00 0.00 176.95 178.12 1sq3 h ASP 83 N 3.56 0.00 -4.20 2.95 3.32 -2.00 -3.46 116.42 116.59 1sq3 h ASP 83 Ca -0.36 0.00 0.33 0.00 0.02 0.00 0.00 57.03 57.02 1sq3 h ASP 83 Cb 1.18 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 1sq3 h ASP 83 CO 0.54 0.06 0.97 -0.94 -1.72 0.00 0.00 179.24 178.15 1sq3 s SER 84 N -5.78 -0.02 0.30 6.45 1.04 -1.26 -4.98 113.70 109.44 1sq3 s SER 84 Ca -0.02 -0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1sq3 s SER 84 Cb 0.12 0.02 0.76 0.00 0.10 0.00 0.00 66.02 67.03 1sq3 s SER 84 CO 0.53 -0.04 1.64 -0.65 0.98 0.00 0.00 173.24 175.70 1sq3 h PRO 85 N 2.00 0.21 -0.30 4.02 0.11 -2.00 -0.15 132.00 135.88 1sq3 h PRO 85 Ca -0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1sq3 h PRO 85 Cb 1.13 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1sq3 h PRO 85 CO 0.20 0.14 0.14 1.25 -0.21 0.00 0.00 178.00 179.51 1sq3 h LEU 86 N 0.21 0.40 -1.27 2.35 5.85 -1.94 -2.21 115.31 118.69 1sq3 h LEU 86 Ca 0.58 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 59.10 1sq3 h LEU 86 Cb 1.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1sq3 h LEU 86 CO -0.66 0.43 -0.18 0.00 -0.34 0.00 0.00 178.44 177.69 1sq3 h ALA 87 N 0.99 1.40 -0.32 1.25 0.00 -1.44 -0.56 119.26 120.58 1sq3 h ALA 87 Ca 0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1sq3 h ALA 87 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sq3 h ALA 87 CO -0.01 0.42 0.02 0.00 0.00 0.00 0.00 179.25 179.67 1sq3 h ALA 88 N 1.57 0.43 0.00 0.00 0.00 -1.03 -1.14 119.26 119.08 1sq3 h ALA 88 Ca 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1sq3 h ALA 88 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sq3 h ALA 88 CO 0.03 0.16 -0.29 0.74 0.00 0.00 0.00 179.25 179.89 1sq3 h PHE 89 N 0.36 0.00 -0.22 0.00 0.04 -0.77 -0.53 116.94 115.82 1sq3 h PHE 89 Ca 0.09 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.73 1sq3 h PHE 89 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1sq3 h PHE 89 CO 0.03 0.29 -0.42 0.93 -0.60 0.00 0.00 178.31 178.54 1sq3 h GLU 90 N 0.00 0.52 -0.12 1.51 5.08 -0.84 -0.27 114.58 120.46 1sq3 h GLU 90 Ca -0.00 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 1sq3 h GLU 90 Cb 0.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1sq3 h GLU 90 CO 0.04 0.84 -0.50 1.25 -1.00 0.00 0.00 179.01 179.64 1sq3 h HIS 91 N 0.43 0.39 0.30 4.33 2.76 -0.63 -1.76 115.15 120.97 1sq3 h HIS 91 Ca 0.03 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1sq3 h HIS 91 Cb 0.91 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.79 1sq3 h HIS 91 CO 0.03 0.76 -0.14 0.28 -1.30 0.00 0.00 177.93 177.56 1sq3 h VAL 92 N 0.25 0.73 -0.20 5.26 2.07 -0.54 0.89 116.25 124.71 1sq3 h VAL 92 Ca 0.01 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1sq3 h VAL 92 Cb 0.97 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1sq3 h VAL 92 CO 0.08 0.04 0.12 0.22 0.02 0.00 0.00 177.57 178.05 1sq3 h TYR 93 N -0.49 0.26 -0.75 1.57 3.20 -0.99 0.19 116.97 119.95 1sq3 h TYR 93 Ca -0.04 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1sq3 h TYR 93 Cb 0.37 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1sq3 h TYR 93 CO -0.03 0.20 0.27 0.93 -1.64 0.00 0.00 178.16 177.89 1sq3 h GLU 94 N 0.24 1.13 -0.31 1.82 4.39 -1.27 0.45 114.58 121.02 1sq3 h GLU 94 Ca 0.07 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1sq3 h GLU 94 Cb 0.02 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1sq3 h GLU 94 CO -0.01 0.94 0.17 1.25 -1.16 0.00 0.00 179.01 180.20 1sq3 h HIS 95 N 1.10 0.43 -0.37 4.33 2.76 -0.40 -1.85 115.15 121.15 1sq3 h HIS 95 Ca 0.25 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 1sq3 h HIS 95 Cb 0.25 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1sq3 h HIS 95 CO 0.02 0.34 -0.24 0.93 -1.30 0.00 0.00 177.93 177.68 1sq3 h GLU 96 N 0.39 0.75 -0.29 5.26 4.39 0.40 -0.22 114.58 125.25 1sq3 h GLU 96 Ca 0.11 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 1sq3 h GLU 96 Cb 0.05 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1sq3 h GLU 96 CO -0.02 0.91 0.18 0.28 -1.16 0.00 0.00 179.01 179.20 1sq3 h VAL 97 N 0.65 1.08 -0.05 3.13 2.07 -0.00 0.25 116.25 123.38 1sq3 h VAL 97 Ca 0.09 -0.18 -0.24 0.00 0.82 0.00 0.00 66.70 67.18 1sq3 h VAL 97 Cb 0.75 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1sq3 h VAL 97 CO 0.06 0.09 -0.93 -1.13 0.02 0.00 0.00 177.57 175.67 1sq3 h ASN 98 N 0.39 0.83 -0.79 0.57 -1.24 -0.38 -2.62 115.58 112.35 1sq3 h ASN 98 Ca 0.11 -0.62 -0.01 0.00 0.71 0.00 0.00 56.30 56.48 1sq3 h ASN 98 Cb -0.02 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.74 1sq3 h ASN 98 CO -0.02 1.42 0.45 0.58 -1.29 0.00 0.00 177.43 178.57 1sq3 h VAL 99 N 0.40 1.23 -0.36 2.57 2.07 0.01 -1.55 116.25 120.62 1sq3 h VAL 99 Ca -0.09 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 66.94 1sq3 h VAL 99 Cb 1.57 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 1sq3 h VAL 99 CO 0.18 0.25 -0.08 0.74 0.02 0.00 0.00 177.57 178.69 1sq3 h THR 100 N 1.11 0.65 -0.37 2.57 2.02 -0.88 -1.65 112.91 116.35 1sq3 h THR 100 Ca 0.28 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.51 1sq3 h THR 100 Cb 0.01 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 1sq3 h THR 100 CO -0.05 0.00 0.07 0.50 0.37 0.00 0.00 175.52 176.41 1sq3 h LYS 101 N 0.02 0.18 -0.54 6.66 3.64 -1.02 0.33 116.57 125.84 1sq3 h LYS 101 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1sq3 h LYS 101 Cb 0.26 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1sq3 h LYS 101 CO -0.36 0.12 0.25 0.00 -2.27 0.00 0.00 179.45 177.19 1sq3 h ARG 102 N 0.19 0.76 0.01 1.90 2.47 -0.91 -1.21 114.38 117.60 1sq3 h ARG 102 Ca 0.18 -0.10 -0.20 0.00 -1.26 0.00 0.00 59.98 58.60 1sq3 h ARG 102 Cb 0.21 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1sq3 h ARG 102 CO -0.24 0.60 -0.91 0.82 0.56 0.00 0.00 179.97 180.80 1sq3 h ILE 103 N 0.76 1.52 0.00 2.04 2.04 -0.33 -1.68 117.51 121.87 1sq3 h ILE 103 Ca 0.19 -2.74 -0.04 0.00 1.00 0.00 0.00 64.86 63.27 1sq3 h ILE 103 Cb 0.09 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1sq3 h ILE 103 CO -0.02 0.80 -0.17 0.45 0.00 0.00 0.00 178.15 179.20 1sq3 h HIS 104 N 0.08 0.00 0.04 1.37 3.86 0.49 -2.06 115.15 118.93 1sq3 h HIS 104 Ca -0.04 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.94 1sq3 h HIS 104 Cb 1.56 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.05 1sq3 h HIS 104 CO 0.03 0.17 -0.91 0.93 0.86 0.00 0.00 177.93 179.01 1sq3 h GLU 105 N 0.00 0.55 -0.65 2.45 5.08 -0.86 -2.35 114.58 118.80 1sq3 h GLU 105 Ca -0.00 -0.64 0.04 0.00 -1.00 0.00 0.00 59.36 57.76 1sq3 h GLU 105 Cb 0.53 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1sq3 h GLU 105 CO 0.02 1.25 0.43 -0.07 -1.00 0.00 0.00 179.01 179.65 1sq3 h LEU 106 N 0.13 0.64 -0.08 1.33 3.38 -1.10 -3.08 115.31 116.53 1sq3 h LEU 106 Ca -0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1sq3 h LEU 106 Cb 1.60 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1sq3 h LEU 106 CO 0.18 0.43 -0.01 0.58 0.09 0.00 0.00 178.44 179.71 1sq3 h VAL 107 N 0.73 1.27 0.00 1.22 2.07 -1.11 -1.31 116.25 119.13 1sq3 h VAL 107 Ca 0.27 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1sq3 h VAL 107 Cb 0.14 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1sq3 h VAL 107 CO -0.08 0.24 0.00 -0.62 0.02 0.00 0.00 177.57 177.13 1sq3 n GLU 108 N -4.82 0.31 -0.42 1.57 4.71 -0.91 -4.71 120.64 116.37 1sq3 n GLU 108 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 1sq3 n GLU 108 Cb 0.21 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.30 1sq3 n GLU 108 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sq3 n ALA 110 N 1.09 0.00 0.00 0.62 0.00 -0.50 -4.70 120.51 117.03 1sq3 n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sq3 n ALA 110 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1sq3 n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sq3 n GLN 112 N -0.42 0.00 0.00 0.00 3.00 -1.26 -0.67 117.38 118.03 1sq3 n GLN 112 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1sq3 n GLN 112 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 30.24 30.80 1sq3 n GLN 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1sq3 n GLU 113 N 0.00 1.32 -2.42 -1.09 1.02 -1.26 -4.91 120.64 113.31 1sq3 n GLU 113 Ca 0.00 -0.68 -0.20 0.00 -0.02 0.00 0.00 57.16 56.26 1sq3 n GLU 113 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 29.93 1sq3 n GLU 113 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sq3 n LYS 114 N -0.24 -1.78 -2.68 3.49 5.02 -0.78 -4.90 118.16 116.27 1sq3 n LYS 114 Ca 0.18 0.94 -0.43 0.00 -2.02 0.00 0.00 58.31 56.97 1sq3 n LYS 114 Cb 0.32 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 1sq3 n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sq3 n ASP 115 N -1.76 5.18 0.12 4.39 -0.08 0.16 -4.82 116.55 119.75 1sq3 n ASP 115 Ca -0.22 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 1sq3 n ASP 115 Cb 0.67 -1.53 0.29 0.00 2.34 0.00 0.00 41.12 42.90 1sq3 n ASP 115 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1sq3 h PHE 116 N 6.50 0.21 -0.02 -0.67 0.04 -1.91 -1.26 116.94 119.83 1sq3 h PHE 116 Ca 0.35 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.94 1sq3 h PHE 116 Cb 0.76 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 1sq3 h PHE 116 CO 1.17 0.50 -0.62 0.00 -0.60 0.00 0.00 178.31 178.76 1sq3 h ALA 117 N 1.50 0.94 0.03 2.45 0.00 -1.96 -0.05 119.26 122.16 1sq3 h ALA 117 Ca 0.02 -0.56 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 1sq3 h ALA 117 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sq3 h ALA 117 CO 0.05 0.76 -1.04 1.15 0.00 0.00 0.00 179.25 180.17 1sq3 h THR 118 N 0.05 1.36 -0.04 0.00 2.02 -1.69 -2.28 112.91 112.33 1sq3 h THR 118 Ca -0.01 -2.45 0.03 0.00 0.77 0.00 0.00 66.41 64.75 1sq3 h THR 118 Cb 1.10 2.50 -0.03 0.00 -1.74 0.00 0.00 68.15 69.97 1sq3 h THR 118 CO 0.08 0.74 -0.14 0.22 0.37 0.00 0.00 175.52 176.80 1sq3 h TYR 119 N 0.27 -0.35 -0.30 3.16 3.20 -1.07 0.67 116.97 122.54 1sq3 h TYR 119 Ca -0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1sq3 h TYR 119 Cb 1.69 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 40.11 1sq3 h TYR 119 CO 0.08 -0.21 0.20 -0.91 -1.64 0.00 0.00 178.16 175.69 1sq3 h ASN 120 N -0.21 0.35 -0.91 -2.11 -0.26 -1.06 -1.66 115.58 109.72 1sq3 h ASN 120 Ca 0.06 -0.01 0.12 0.00 -0.56 0.00 0.00 56.30 55.91 1sq3 h ASN 120 Cb 0.30 -0.09 -0.07 0.00 -1.06 0.00 0.00 38.32 37.40 1sq3 h ASN 120 CO -0.17 0.25 0.58 0.15 -1.06 0.00 0.00 177.43 177.19 1sq3 h PHE 121 N 0.41 0.94 0.00 1.19 3.57 -1.15 -2.34 116.94 119.56 1sq3 h PHE 121 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1sq3 h PHE 121 Cb -0.05 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.39 1sq3 h PHE 121 CO -0.06 0.39 0.00 -0.07 -2.23 0.00 0.00 178.31 176.34 1sq3 h LEU 122 N 0.83 0.00 -2.11 0.59 3.38 0.03 -3.15 115.31 114.89 1sq3 h LEU 122 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1sq3 h LEU 122 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1sq3 h LEU 122 CO -0.20 0.00 -0.04 1.56 0.09 0.00 0.00 178.44 179.85 1sq3 h GLN 123 N 0.00 0.00 -0.49 1.13 1.08 -0.81 -0.39 115.11 115.63 1sq3 h GLN 123 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1sq3 h GLN 123 Cb 0.78 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 1sq3 h GLN 123 CO 0.00 0.04 0.05 2.35 -0.95 0.00 0.00 178.83 180.31 1sq3 h TRP 124 N 0.00 0.90 0.00 2.96 7.01 -1.69 -1.08 115.95 124.05 1sq3 h TRP 124 Ca -0.00 -0.14 -0.07 0.00 2.11 0.00 0.00 58.89 60.79 1sq3 h TRP 124 Cb 0.07 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 1sq3 h TRP 124 CO 0.00 0.83 -0.34 1.88 -2.79 0.00 0.00 178.44 178.02 1sq3 h TYR 125 N 0.70 0.00 -0.04 2.65 -1.99 -1.37 0.57 116.97 117.50 1sq3 h TYR 125 Ca 0.14 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.85 1sq3 h TYR 125 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1sq3 h TYR 125 CO 0.03 0.34 -0.09 0.28 -0.00 0.00 0.00 178.16 178.73 1sq3 h VAL 126 N 0.00 1.44 -0.53 -2.88 2.07 -0.52 -1.64 116.25 114.19 1sq3 h VAL 126 Ca -0.00 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1sq3 h VAL 126 Cb 0.86 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1sq3 h VAL 126 CO 0.04 0.39 0.31 0.00 0.02 0.00 0.00 177.57 178.34 1sq3 h ALA 127 N 0.45 0.67 -0.90 1.67 0.00 -1.16 -3.00 119.26 117.00 1sq3 h ALA 127 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sq3 h ALA 127 Cb 0.68 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1sq3 h ALA 127 CO 0.02 0.17 0.60 1.49 0.00 0.00 0.00 179.25 181.52 1sq3 h GLU 128 N 0.71 1.17 -0.05 0.00 4.57 -0.85 -0.90 114.58 119.24 1sq3 h GLU 128 Ca 0.19 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1sq3 h GLU 128 Cb 0.00 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 1sq3 h GLU 128 CO -0.03 0.78 -0.16 1.96 -1.18 0.00 0.00 179.01 180.38 1sq3 h GLN 129 N 1.21 0.07 -0.64 1.92 1.08 -1.17 0.13 115.11 117.72 1sq3 h GLN 129 Ca 0.33 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1sq3 h GLN 129 Cb -0.12 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1sq3 h GLN 129 CO -0.08 0.24 0.35 0.28 -0.95 0.00 0.00 178.83 178.67 1sq3 h VAL 130 N 0.07 1.20 -0.32 -0.54 2.07 -1.03 -0.94 116.25 116.76 1sq3 h VAL 130 Ca 0.01 -0.49 -0.16 0.00 0.82 0.00 0.00 66.70 66.88 1sq3 h VAL 130 Cb 0.33 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1sq3 h VAL 130 CO 0.02 0.22 -0.41 -0.08 0.02 0.00 0.00 177.57 177.34 1sq3 h GLU 131 N 0.87 0.84 -0.05 1.57 4.22 -1.16 -2.20 114.58 118.67 1sq3 h GLU 131 Ca 0.22 -0.48 0.01 0.00 0.08 0.00 0.00 59.36 59.19 1sq3 h GLU 131 Cb 0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1sq3 h GLU 131 CO -0.04 1.12 -0.01 0.93 -2.18 0.00 0.00 179.01 178.83 1sq3 h GLU 132 N 0.63 0.00 -0.48 1.92 4.39 -0.36 0.14 114.58 120.81 1sq3 h GLU 132 Ca 0.04 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1sq3 h GLU 132 Cb 1.01 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.61 1sq3 h GLU 132 CO 0.10 0.00 0.23 0.93 -1.16 0.00 0.00 179.01 179.10 1sq3 h GLU 133 N 0.00 0.43 0.00 2.33 5.08 -1.23 -2.23 114.58 118.97 1sq3 h GLU 133 Ca 0.02 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1sq3 h GLU 133 Cb 0.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1sq3 h GLU 133 CO -0.05 0.29 -0.70 0.00 -1.00 0.00 0.00 179.01 177.55 1sq3 h ALA 134 N 1.28 0.80 -0.14 3.43 0.00 -0.71 -0.89 119.26 123.02 1sq3 h ALA 134 Ca 0.22 -0.64 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 1sq3 h ALA 134 Cb 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sq3 h ALA 134 CO -0.17 0.87 -0.66 0.77 0.00 0.00 0.00 179.25 180.06 1sq3 h SER 135 N 0.00 0.83 -0.31 0.00 0.02 -0.57 -2.21 113.55 111.30 1sq3 h SER 135 Ca -0.01 -0.63 -0.01 0.00 -0.84 0.00 0.00 61.79 60.30 1sq3 h SER 135 Cb 1.27 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1sq3 h SER 135 CO 0.09 1.32 0.16 0.00 -1.14 0.00 0.00 176.83 177.26 1sq3 h ALA 136 N 0.53 0.40 -0.26 3.77 0.00 -1.19 -3.06 119.26 119.45 1sq3 h ALA 136 Ca -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1sq3 h ALA 136 Cb 1.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1sq3 h ALA 136 CO 0.14 -0.04 -0.23 1.25 0.00 0.00 0.00 179.25 180.37 1sq3 h LEU 137 N 0.37 0.49 -1.42 0.00 5.85 -1.16 -1.41 115.31 118.04 1sq3 h LEU 137 Ca 0.11 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1sq3 h LEU 137 Cb 0.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1sq3 h LEU 137 CO -0.01 0.72 0.28 -0.78 -0.34 0.00 0.00 178.44 178.30 1sq3 h ASP 138 N 0.44 0.59 0.69 1.25 3.58 -1.31 -0.15 116.42 121.51 1sq3 h ASP 138 Ca 0.07 -0.03 -0.26 0.00 0.42 0.00 0.00 57.03 57.22 1sq3 h ASP 138 Cb 0.63 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1sq3 h ASP 138 CO 0.05 0.47 -1.33 0.40 -2.88 0.00 0.00 179.24 175.95 1sq3 h ILE 139 N 0.68 1.35 0.23 2.25 2.04 -1.29 -1.70 117.51 121.07 1sq3 h ILE 139 Ca 0.18 -3.05 -0.00 0.00 1.00 0.00 0.00 64.86 62.98 1sq3 h ILE 139 Cb 0.00 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1sq3 h ILE 139 CO -0.03 0.82 -0.16 0.58 0.00 0.00 0.00 178.15 179.36 1sq3 h VAL 140 N 0.03 0.66 -0.75 1.67 2.07 -0.98 -1.50 116.25 117.45 1sq3 h VAL 140 Ca -0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.44 1sq3 h VAL 140 Cb 1.92 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 1sq3 h VAL 140 CO 0.14 0.00 0.43 -0.33 0.02 0.00 0.00 177.57 177.83 1sq3 h GLU 141 N -0.39 0.76 -0.03 1.57 5.08 -0.98 -0.56 114.58 120.02 1sq3 h GLU 141 Ca -0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1sq3 h GLU 141 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1sq3 h GLU 141 CO 0.01 0.50 -0.30 0.87 -1.00 0.00 0.00 179.01 179.08 1sq3 h LYS 142 N 0.78 0.06 0.00 2.33 1.57 -1.07 -2.82 116.57 117.41 1sq3 h LYS 142 Ca 0.34 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.89 1sq3 h LYS 142 Cb 0.22 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1sq3 h LYS 142 CO -0.19 0.36 -1.07 -0.07 -0.57 0.00 0.00 179.45 177.91 1sq3 h LEU 143 N 0.06 0.00 0.30 2.94 3.38 -0.06 -2.25 115.31 119.67 1sq3 h LEU 143 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sq3 h LEU 143 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1sq3 h LEU 143 CO 0.04 0.95 -0.15 0.03 0.09 0.00 0.00 178.44 179.40 1sq3 h ARG 144 N 0.00 -0.39 -0.76 1.13 3.08 -1.11 -0.78 114.38 115.55 1sq3 h ARG 144 Ca -0.05 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.21 1sq3 h ARG 144 Cb 1.77 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.86 1sq3 h ARG 144 CO 0.11 -0.10 0.52 -0.07 -1.07 0.00 0.00 179.97 179.37 1sq3 h LEU 145 N -0.70 0.22 -0.33 3.04 4.07 -1.57 -1.13 115.31 118.92 1sq3 h LEU 145 Ca -0.04 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.81 1sq3 h LEU 145 Cb 0.48 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1sq3 h LEU 145 CO 0.07 0.11 -0.29 0.40 -1.08 0.00 0.00 178.44 177.65 1sq3 h ILE 146 N 0.23 1.29 0.00 1.22 2.04 -0.98 -3.48 117.51 117.84 1sq3 h ILE 146 Ca 0.37 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1sq3 h ILE 146 Cb 1.12 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1sq3 h ILE 146 CO -0.08 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.15 1sq3 n GLY 147 N 0.11 2.88 1.14 5.37 0.00 -0.34 -1.94 105.19 112.42 1sq3 n GLY 147 Ca -0.03 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1sq3 n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sq3 n GLU 148 N 11.69 2.50 -2.24 1.61 -0.58 -1.26 -4.93 120.64 127.43 1sq3 n GLU 148 Ca 0.00 -2.28 -0.43 0.00 -0.42 0.00 0.00 57.16 54.03 1sq3 n GLU 148 Cb 0.00 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 1sq3 n GLU 148 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1sq3 s ASP 149 N -1.50 6.45 -0.02 1.62 2.15 -0.82 -4.90 116.67 119.66 1sq3 s ASP 149 Ca 0.38 1.39 -0.24 0.00 0.43 0.00 0.00 52.55 54.51 1sq3 s ASP 149 Cb 0.23 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 40.11 1sq3 s ASP 149 CO 0.31 -1.23 1.21 0.11 -0.17 0.00 0.00 175.17 175.40 1sq3 h LYS 150 N 10.33 0.14 0.22 4.34 6.56 -1.91 -1.74 116.57 134.51 1sq3 h LYS 150 Ca -0.30 -0.09 0.01 0.00 -1.06 0.00 0.00 60.65 59.20 1sq3 h LYS 150 Cb 1.13 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.77 1sq3 h LYS 150 CO 1.02 0.68 -0.33 -0.09 -2.06 0.00 0.00 179.45 178.67 1sq3 h ARG 151 N -0.38 -0.59 -0.78 3.15 2.43 -1.99 0.00 114.38 116.22 1sq3 h ARG 151 Ca 0.00 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 1sq3 h ARG 151 Cb 0.67 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.28 1sq3 h ARG 151 CO 0.02 -0.40 0.39 0.00 -1.51 0.00 0.00 179.97 178.47 1sq3 h ALA 152 N -0.04 1.12 -0.48 2.80 0.00 -1.94 0.38 119.26 121.10 1sq3 h ALA 152 Ca 0.01 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1sq3 h ALA 152 Cb 0.60 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1sq3 h ALA 152 CO -0.13 -0.07 -0.09 1.25 0.00 0.00 0.00 179.25 180.21 1sq3 h LEU 153 N 0.61 -0.39 -0.91 0.00 5.85 -0.70 -2.14 115.31 117.62 1sq3 h LEU 153 Ca 0.40 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 59.15 1sq3 h LEU 153 Cb 0.50 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1sq3 h LEU 153 CO -0.32 -0.14 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.05 1sq3 h LEU 154 N 0.02 0.06 -0.98 2.25 3.38 0.15 -1.89 115.31 118.30 1sq3 h LEU 154 Ca 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1sq3 h LEU 154 Cb 0.35 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1sq3 h LEU 154 CO -0.47 0.57 0.43 0.15 0.09 0.00 0.00 178.44 179.21 1sq3 h PHE 155 N 0.04 1.14 0.06 1.13 3.57 -0.01 -1.61 116.94 121.27 1sq3 h PHE 155 Ca -0.00 -0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.22 1sq3 h PHE 155 Cb 0.94 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1sq3 h PHE 155 CO 0.00 0.80 -1.08 1.25 -2.23 0.00 0.00 178.31 177.05 1sq3 h LEU 156 N 1.16 0.37 -1.42 0.59 5.85 -1.09 -1.31 115.31 119.46 1sq3 h LEU 156 Ca 0.29 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1sq3 h LEU 156 Cb 0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1sq3 h LEU 156 CO -0.04 1.22 -0.08 -0.78 -0.34 0.00 0.00 178.44 178.42 1sq3 h ASP 157 N 0.11 0.27 -0.09 1.25 3.58 -0.97 0.17 116.42 120.73 1sq3 h ASP 157 Ca -0.09 -0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.09 1sq3 h ASP 157 Cb 1.77 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.76 1sq3 h ASP 157 CO 0.17 0.39 -0.78 0.50 -2.88 0.00 0.00 179.24 176.64 1sq3 h LYS 158 N 0.28 0.74 -0.74 0.28 3.64 -1.03 -0.86 116.57 118.87 1sq3 h LYS 158 Ca 0.06 -0.61 0.14 0.00 -1.27 0.00 0.00 60.65 58.97 1sq3 h LYS 158 Cb 0.32 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.17 1sq3 h LYS 158 CO 0.02 1.22 0.28 1.49 -2.27 0.00 0.00 179.45 180.18 1sq3 h GLU 159 N 0.50 0.39 0.00 1.90 4.81 -0.39 -2.33 114.58 119.47 1sq3 h GLU 159 Ca -0.05 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1sq3 h GLU 159 Cb 1.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1sq3 h GLU 159 CO 0.16 0.26 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.27 1sq3 h LEU 160 N 0.41 0.00 -0.88 1.64 4.07 -0.32 -2.57 115.31 117.66 1sq3 h LEU 160 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1sq3 h LEU 160 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1sq3 h LEU 160 CO -0.42 0.36 0.00 -1.54 -1.08 0.00 0.00 178.44 175.76 1sq3 n SER 161 N -3.36 0.51 0.20 -0.43 3.41 -0.36 -2.72 113.62 110.88 1sq3 n SER 161 Ca 0.01 0.68 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1sq3 n SER 161 Cb 0.57 -0.77 0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1sq3 n SER 161 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sq3 h LEU 162 N 0.00 0.00-10.09 1.04 4.07 -1.45 -3.47 115.31 105.41 1sq3 h LEU 162 Ca 0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 1sq3 h LEU 162 Cb 0.17 0.00 0.10 0.00 1.08 0.00 0.00 40.66 42.01 1sq3 h LEU 162 CO 0.00 0.04 0.46 -0.60 -1.08 0.00 0.00 178.44 177.27 1sq3 s ARG 163 N -3.20 3.14 0.00 1.13 3.52 -1.10 -5.17 118.95 117.26 1sq3 s ARG 163 Ca 0.06 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.43 1sq3 s ARG 163 Cb 0.06 -1.98 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 1sq3 s ARG 163 CO 0.69 -1.06 0.35 1.04 -0.81 0.00 0.00 175.30 175.50