#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq3 n ILE 4 N 0.00 0.00 -2.64 -1.33 -0.00 -1.26 -5.00 119.36 109.13 1sq3 n ILE 4 Ca 0.00 -0.42 -0.28 0.00 -0.00 0.00 0.00 62.75 62.05 1sq3 n ILE 4 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.63 1sq3 n ILE 4 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1sq3 s SER 5 N -0.84 6.33 0.33 4.38 1.04 -1.26 -4.99 113.70 118.69 1sq3 s SER 5 Ca 0.45 1.02 0.16 0.00 0.48 0.00 0.00 55.95 58.05 1sq3 s SER 5 Cb -0.36 -2.28 0.50 0.00 0.10 0.00 0.00 66.02 63.97 1sq3 s SER 5 CO 0.59 -0.55 1.65 -0.33 0.98 0.00 0.00 173.24 175.58 1sq3 h GLU 6 N 0.47 0.00 -0.56 4.02 5.08 -2.04 -1.47 114.58 120.07 1sq3 h GLU 6 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1sq3 h GLU 6 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sq3 h GLU 6 CO 0.62 0.48 0.00 1.17 -1.00 0.00 0.00 179.01 180.28 1sq3 n LYS 7 N -3.56 0.17 0.00 2.33 4.81 -1.26 -1.77 118.16 118.89 1sq3 n LYS 7 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sq3 n LYS 7 Cb 0.58 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.47 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 0.53 0.00 0.01 3.15 0.31 -0.56 -1.69 118.33 120.09 1sq3 n VAL 9 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1sq3 n VAL 9 Cb 0.05 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.61 -0.70 5.55 4.22 -1.63 0.35 114.58 122.99 1sq3 h GLU 10 Ca 0.00 -0.51 -0.03 0.00 0.08 0.00 0.00 59.36 58.90 1sq3 h GLU 10 Cb 0.00 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1sq3 h GLU 10 CO 0.00 1.14 0.32 0.00 -2.18 0.00 0.00 179.01 178.29 1sq3 h ALA 11 N 0.71 1.26 0.00 2.92 0.00 -1.58 -0.87 119.26 121.70 1sq3 h ALA 11 Ca -0.05 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1sq3 h ALA 11 Cb 1.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1sq3 h ALA 11 CO 0.15 0.57 -0.77 -0.07 0.00 0.00 0.00 179.25 179.13 1sq3 h LEU 12 N 0.99 0.00 -0.45 0.00 3.38 -1.76 -2.15 115.31 115.32 1sq3 h LEU 12 Ca 0.24 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 1sq3 h LEU 12 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sq3 h LEU 12 CO -0.03 0.77 -0.64 0.78 0.09 0.00 0.00 178.44 179.40 1sq3 h ASN 13 N 0.00 0.57 -0.66 -0.43 2.35 -0.70 -0.36 115.58 116.35 1sq3 h ASN 13 Ca -0.01 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.33 1sq3 h ASN 13 Cb 1.50 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.68 1sq3 h ASN 13 CO 0.10 1.07 0.14 0.03 -1.65 0.00 0.00 177.43 177.11 1sq3 h ARG 14 N 0.36 1.09 -0.21 0.81 2.47 -1.01 -1.88 114.38 116.02 1sq3 h ARG 14 Ca -0.01 -0.27 -0.12 0.00 -1.26 0.00 0.00 59.98 58.31 1sq3 h ARG 14 Cb 1.21 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1sq3 h ARG 14 CO 0.12 0.98 -0.39 0.37 0.56 0.00 0.00 179.97 181.61 1sq3 h GLN 15 N 1.03 0.47 -0.55 0.04 5.75 -1.10 0.12 115.11 120.87 1sq3 h GLN 15 Ca 0.21 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1sq3 h GLN 15 Cb 0.40 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1sq3 h GLN 15 CO 0.01 0.79 0.32 0.82 -2.65 0.00 0.00 178.83 178.12 1sq3 h ILE 16 N 0.39 1.17 -0.55 2.39 2.04 -0.71 0.41 117.51 122.65 1sq3 h ILE 16 Ca 0.04 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1sq3 h ILE 16 Cb 0.85 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1sq3 h ILE 16 CO 0.07 0.18 0.26 -1.13 0.00 0.00 0.00 178.15 177.53 1sq3 h ASN 17 N 0.74 0.35 -0.05 1.72 -1.24 -0.96 -0.88 115.58 115.26 1sq3 h ASN 17 Ca 0.20 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 1sq3 h ASN 17 Cb 0.01 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1sq3 h ASN 17 CO -0.03 0.23 -0.01 0.00 -1.29 0.00 0.00 177.43 176.33 1sq3 h ALA 18 N 1.32 1.76 0.01 1.57 0.00 -0.16 0.19 119.26 123.96 1sq3 h ALA 18 Ca 0.25 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 1sq3 h ALA 18 Cb 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sq3 h ALA 18 CO -0.20 0.18 -0.94 0.93 0.00 0.00 0.00 179.25 179.22 1sq3 h GLU 19 N 0.17 0.32 -0.08 0.00 4.39 0.62 -1.19 114.58 118.81 1sq3 h GLU 19 Ca 0.04 -0.36 -0.19 0.00 0.34 0.00 0.00 59.36 59.19 1sq3 h GLU 19 Cb 0.14 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1sq3 h GLU 19 CO 0.00 1.06 -0.71 0.82 -1.16 0.00 0.00 179.01 179.02 1sq3 h ILE 20 N 0.17 1.33 -0.32 3.13 2.04 -0.55 -2.20 117.51 121.12 1sq3 h ILE 20 Ca -0.07 -1.99 0.07 0.00 1.00 0.00 0.00 64.86 63.87 1sq3 h ILE 20 Cb 1.58 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 39.82 1sq3 h ILE 20 CO 0.16 0.61 -0.10 0.22 0.00 0.00 0.00 178.15 179.04 1sq3 h TYR 21 N 0.27 -0.21 -0.80 1.37 3.20 -0.71 -1.02 116.97 119.07 1sq3 h TYR 21 Ca -0.06 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.03 1sq3 h TYR 21 Cb 1.36 0.14 -0.13 0.00 1.54 0.00 0.00 36.73 39.65 1sq3 h TYR 21 CO 0.11 -0.16 0.18 0.77 -1.64 0.00 0.00 178.16 177.42 1sq3 h SER 22 N -0.02 -0.04 -0.01 -2.11 0.02 -1.06 0.23 113.55 110.56 1sq3 h SER 22 Ca 0.16 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1sq3 h SER 22 Cb 0.26 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1sq3 h SER 22 CO -0.34 -0.10 0.01 0.00 -1.14 0.00 0.00 176.83 175.25 1sq3 h ALA 23 N 1.69 0.02 -0.17 3.77 0.00 -0.90 -1.77 119.26 121.90 1sq3 h ALA 23 Ca 0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1sq3 h ALA 23 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sq3 h ALA 23 CO -0.59 -0.43 -0.09 -0.92 0.00 0.00 0.00 179.25 177.22 1sq3 h TYR 24 N -0.08 0.27 -0.21 0.00 3.20 0.24 0.78 116.97 121.17 1sq3 h TYR 24 Ca 0.00 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1sq3 h TYR 24 Cb 0.10 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1sq3 h TYR 24 CO -0.04 0.36 -0.05 1.25 -1.64 0.00 0.00 178.16 178.04 1sq3 h LEU 25 N 0.26 0.40 -1.19 2.82 5.85 -0.36 -0.78 115.31 122.31 1sq3 h LEU 25 Ca 0.05 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 1sq3 h LEU 25 Cb 0.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1sq3 h LEU 25 CO 0.02 0.67 -0.40 1.88 -0.34 0.00 0.00 178.44 180.27 1sq3 h TYR 26 N 0.13 0.00 -0.61 1.25 0.05 -0.36 -1.79 116.97 115.64 1sq3 h TYR 26 Ca 0.05 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1sq3 h TYR 26 Cb 0.49 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1sq3 h TYR 26 CO 0.05 0.40 0.08 1.25 -1.05 0.00 0.00 178.16 178.88 1sq3 h LEU 27 N 0.00 0.97 -1.71 3.88 5.85 -0.63 0.14 115.31 123.81 1sq3 h LEU 27 Ca -0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1sq3 h LEU 27 Cb 0.73 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1sq3 h LEU 27 CO 0.05 0.98 0.00 -0.24 -0.34 0.00 0.00 178.44 178.89 1sq3 n SER 28 N -4.21 0.61 0.00 1.25 2.88 -0.32 -2.21 113.62 111.61 1sq3 n SER 28 Ca 0.04 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1sq3 n SER 28 Cb 0.29 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.73 0.00 -0.03 -1.46 0.00 0.47 -1.30 120.51 118.92 1sq3 n ALA 30 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1sq3 n ALA 30 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 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 0.88 -0.17 0.00 0.87 -1.73 -2.14 113.55 111.25 1sq3 h SER 31 Ca 0.00 -0.53 0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1sq3 h SER 31 Cb 0.00 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 61.64 1sq3 h SER 31 CO 0.00 1.31 -0.30 0.22 -0.53 0.00 0.00 176.83 177.53 1sq3 h TYR 32 N 0.55 -0.83 -0.41 2.24 3.20 -1.46 -0.80 116.97 119.47 1sq3 h TYR 32 Ca -0.02 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1sq3 h TYR 32 Cb 1.28 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.92 1sq3 h TYR 32 CO 0.07 -0.38 -0.07 0.74 -1.64 0.00 0.00 178.16 176.88 1sq3 h PHE 33 N -0.35 0.76 -1.00 -3.82 0.04 -1.83 0.56 116.94 111.30 1sq3 h PHE 33 Ca 0.11 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.81 1sq3 h PHE 33 Cb 0.52 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 1sq3 h PHE 33 CO -0.41 0.75 0.65 0.22 -0.60 0.00 0.00 178.31 178.92 1sq3 h ASP 34 N 0.65 1.05 0.95 2.17 1.82 -1.14 -0.11 116.42 121.80 1sq3 h ASP 34 Ca 0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1sq3 h ASP 34 Cb 0.51 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 1sq3 h ASP 34 CO 0.03 0.69 -0.07 0.77 -1.61 0.00 0.00 179.24 179.05 1sq3 h SER 35 N 1.20 0.00 -0.33 2.28 4.64 0.62 -1.88 113.55 120.07 1sq3 h SER 35 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1sq3 h SER 35 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1sq3 h SER 35 CO -0.15 0.07 0.00 2.30 -0.87 0.00 0.00 176.83 178.18 1sq3 n ILE 36 N -3.21 1.80 -0.90 0.95 -5.35 -0.96 -4.96 119.36 106.73 1sq3 n ILE 36 Ca 0.00 -1.49 0.00 0.00 -0.27 0.00 0.00 62.75 60.99 1sq3 n ILE 36 Cb 0.34 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 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 0.03 0.59 3.44 3.28 0.00 -0.71 -4.95 105.19 106.87 1sq3 n GLY 37 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 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 5.29 0.16 0.99 4.77 -0.12 -4.80 117.00 123.29 1sq3 n LEU 38 Ca 0.00 -4.43 0.13 0.00 -0.03 0.00 0.00 56.01 51.68 1sq3 n LEU 38 Cb 0.00 -1.62 0.36 0.00 -2.33 0.00 0.00 43.42 39.83 1sq3 n LEU 38 CO 0.00 0.72 0.87 0.11 -1.33 0.00 0.00 177.39 177.76 1sq3 h LYS 39 N 7.08 0.00 0.14 3.23 1.57 -1.92 -1.26 116.57 125.41 1sq3 h LYS 39 Ca 0.33 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.81 1sq3 h LYS 39 Cb 0.86 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.20 1sq3 h LYS 39 CO 1.28 0.00 -1.28 0.78 -0.57 0.00 0.00 179.45 179.67 1sq3 h GLY 40 N 3.90 0.69 0.91 3.86 0.00 -1.87 -1.75 103.07 108.81 1sq3 h GLY 40 Ca 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 47.33 45.85 1sq3 h GLY 40 CO 0.00 1.30 0.06 0.74 0.00 0.00 0.00 176.54 178.64 1sq3 h PHE 41 N 0.26 0.16 -1.03 5.60 -1.00 -1.70 -2.10 116.94 117.14 1sq3 h PHE 41 Ca -0.20 -0.01 0.26 0.00 2.81 0.00 0.00 57.97 60.84 1sq3 h PHE 41 Cb 1.95 -0.05 -0.09 0.00 3.61 0.00 0.00 35.95 41.37 1sq3 h PHE 41 CO 0.12 0.21 0.67 1.03 -1.61 0.00 0.00 178.31 178.72 1sq3 h SER 42 N 0.07 0.42 0.28 2.17 0.87 -1.25 -1.61 113.55 114.51 1sq3 h SER 42 Ca 0.04 0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.41 1sq3 h SER 42 Cb 0.10 0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1sq3 h SER 42 CO -0.01 0.09 -1.13 -1.13 -0.53 0.00 0.00 176.83 174.13 1sq3 h ASN 43 N 0.38 0.69 0.00 6.23 -0.73 -1.04 -1.62 115.58 119.48 1sq3 h ASN 43 Ca 0.58 -0.61 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1sq3 h ASN 43 Cb 1.51 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1sq3 h ASN 43 CO -0.27 1.43 0.00 1.87 -0.37 0.00 0.00 177.43 180.09 1sq3 n TRP 44 N -3.74 0.00 0.00 0.67 -0.00 -0.61 -1.62 117.44 112.15 1sq3 n TRP 44 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.40 1sq3 n TRP 44 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.24 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 0.27 0.00 -0.27 5.87 5.12 -0.61 -0.19 116.66 126.85 1sq3 n ARG 46 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 1sq3 n ARG 46 Cb 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.35 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 1.26 0.00 1.55 2.07 -1.58 -0.14 116.25 119.41 1sq3 h VAL 47 Ca 0.00 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1sq3 h VAL 47 Cb 0.00 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1sq3 h VAL 47 CO 0.00 0.34 -0.28 -0.61 0.02 0.00 0.00 177.57 177.04 1sq3 h GLN 48 N 1.08 0.00 0.01 1.57 5.75 -0.82 0.21 115.11 122.91 1sq3 h GLN 48 Ca 0.24 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1sq3 h GLN 48 Cb 0.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1sq3 h GLN 48 CO -0.02 0.28 -0.00 2.35 -2.65 0.00 0.00 178.83 178.79 1sq3 h TRP 49 N 0.00 -0.01 -0.47 3.99 2.91 -1.59 0.12 115.95 120.90 1sq3 h TRP 49 Ca -0.00 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 1sq3 h TRP 49 Cb 0.50 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 1sq3 h TRP 49 CO 0.00 0.34 0.10 1.96 -1.03 0.00 0.00 178.44 179.82 1sq3 h GLN 50 N -0.37 0.70 -0.30 2.65 4.20 -0.77 -1.56 115.11 119.67 1sq3 h GLN 50 Ca -0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1sq3 h GLN 50 Cb 0.36 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1sq3 h GLN 50 CO 0.00 0.65 0.15 1.49 -0.67 0.00 0.00 178.83 180.45 1sq3 h GLU 51 N 0.68 0.43 -0.24 1.46 4.81 -0.60 -3.02 114.58 118.10 1sq3 h GLU 51 Ca 0.15 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1sq3 h GLU 51 Cb 0.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1sq3 h GLU 51 CO -0.00 0.39 -0.33 0.93 -0.73 0.00 0.00 179.01 179.27 1sq3 h GLU 52 N 0.36 0.52 -1.06 1.92 4.39 0.11 -1.54 114.58 119.27 1sq3 h GLU 52 Ca 0.10 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1sq3 h GLU 52 Cb 0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1sq3 h GLU 52 CO -0.01 0.79 0.00 1.28 -1.16 0.00 0.00 179.01 179.90 1sq3 n LEU 53 N -4.07 0.00 0.00 1.33 4.32 -0.67 -1.45 117.00 116.46 1sq3 n LEU 53 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1sq3 n LEU 53 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1sq3 n LEU 53 CO 0.44 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.02 1sq3 n HIS 55 N 0.68 0.00 0.10 -1.77 8.25 -0.58 -4.66 115.22 117.24 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 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 1.43 -0.96 -1.41 0.00 -0.53 -4.71 120.51 114.32 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 0.76 -1.16 0.00 0.00 4.81 -1.26 -4.62 118.16 116.69 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 0.04 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 32.78 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 -0.87 0.00 0.07 5.64 -0.00 -1.26 -2.12 117.46 118.92 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 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 39.48 39.63 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 0.35 -0.16 -2.13 3.32 -1.97 -2.82 116.42 113.02 1sq3 h ASP 61 Ca 0.00 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.67 1sq3 h ASP 61 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1sq3 h ASP 61 CO 0.00 0.98 -0.45 0.15 -1.72 0.00 0.00 179.24 178.20 1sq3 h PHE 62 N 0.19 0.75 0.28 4.55 3.57 -1.82 0.13 116.94 124.58 1sq3 h PHE 62 Ca -0.03 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1sq3 h PHE 62 Cb 1.32 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1sq3 h PHE 62 CO 0.03 1.06 -0.28 0.28 -2.23 0.00 0.00 178.31 177.18 1sq3 h VAL 63 N 0.22 0.42 -0.10 1.41 2.07 -1.85 -1.76 116.25 116.65 1sq3 h VAL 63 Ca -0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1sq3 h VAL 63 Cb 1.06 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1sq3 h VAL 63 CO 0.10 0.00 -0.18 -1.28 0.02 0.00 0.00 177.57 176.22 1sq3 h SER 64 N -0.59 0.16 0.83 0.57 0.87 -1.39 -1.60 113.55 112.41 1sq3 h SER 64 Ca -0.01 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 1sq3 h SER 64 Cb 0.54 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1sq3 h SER 64 CO -0.06 0.36 -0.61 -0.08 -0.53 0.00 0.00 176.83 175.91 1sq3 h GLU 65 N 0.16 0.00 0.00 2.24 4.22 -0.69 -2.03 114.58 118.48 1sq3 h GLU 65 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1sq3 h GLU 65 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1sq3 h GLU 65 CO 0.03 0.61 0.00 0.54 -2.18 0.00 0.00 179.01 178.01 1sq3 n ARG 66 N -3.59 0.10 0.00 1.92 5.12 -0.66 -4.91 116.66 114.63 1sq3 n ARG 66 Ca -0.00 0.15 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1sq3 n ARG 66 Cb 0.66 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 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 1.00 0.68 3.95 -0.13 0.00 -0.76 -3.98 105.19 105.95 1sq3 n GLY 67 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.05 1.75 -0.20 -0.02 0.00 -0.84 -5.00 107.32 101.96 1sq3 s GLY 68 Ca 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 1sq3 s GLY 68 CO 0.00 -0.69 -0.15 -1.60 0.00 0.00 0.00 173.10 170.66 1sq3 s ARG 69 N -5.49 3.02 -0.07 2.90 6.06 -1.26 -4.08 118.95 120.03 1sq3 s ARG 69 Ca 0.68 -0.83 -0.30 0.00 -2.50 0.00 0.00 55.73 52.78 1sq3 s ARG 69 Cb -0.06 -2.71 -0.03 0.00 0.06 0.00 0.00 34.95 32.21 1sq3 s ARG 69 CO 0.48 -0.24 1.23 0.08 -2.50 0.00 0.00 175.30 174.35 1sq3 s VAL 70 N 1.32 4.21 -0.15 7.11 1.01 -1.26 -4.94 120.40 127.71 1sq3 s VAL 70 Ca 0.04 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.51 1sq3 s VAL 70 Cb -0.14 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1sq3 s VAL 70 CO -0.10 -0.02 -0.01 -0.75 0.00 0.00 0.00 175.10 174.22 1sq3 s LYS 71 N 2.44 3.59 -0.00 2.72 2.47 -1.26 -5.12 119.74 124.57 1sq3 s LYS 71 Ca 0.56 -0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 54.40 1sq3 s LYS 71 Cb -0.25 -2.95 -0.05 0.00 -1.46 0.00 0.00 37.83 33.13 1sq3 s LYS 71 CO 0.21 0.35 0.33 -0.51 0.16 0.00 0.00 175.35 175.89 1sq3 s LEU 72 N 0.10 4.42 0.40 5.43 1.43 -1.26 -4.89 118.68 124.30 1sq3 s LEU 72 Ca 0.01 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 53.95 1sq3 s LEU 72 Cb -0.13 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 1sq3 s LEU 72 CO 0.02 0.30 0.08 -0.31 0.23 0.00 0.00 176.35 176.67 1sq3 s TYR 73 N -1.17 2.55 0.73 0.29 1.51 -1.26 -5.11 117.35 114.89 1sq3 s TYR 73 Ca 0.25 -0.61 -0.16 0.00 -1.01 0.00 0.00 57.07 55.54 1sq3 s TYR 73 Cb -0.15 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1sq3 s TYR 73 CO 0.13 0.35 1.19 0.00 -1.11 0.00 0.00 175.55 176.11 1sq3 n ALA 74 N -1.07 0.37 -3.55 3.71 0.00 -1.26 -4.97 120.51 113.75 1sq3 n ALA 74 Ca -0.03 -0.18 -0.36 0.00 0.00 0.00 0.00 53.44 52.86 1sq3 n ALA 74 Cb 0.66 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.79 3.33 0.71 0.00 1.01 -1.26 -5.04 120.40 117.37 1sq3 s VAL 75 Ca 0.77 -1.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1sq3 s VAL 75 Cb -0.33 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1sq3 s VAL 75 CO 0.47 -0.29 1.25 -0.62 0.00 0.00 0.00 175.10 175.91 1sq3 n GLU 76 N 4.68 0.75 -2.42 2.72 -0.58 -1.26 -4.89 120.64 119.64 1sq3 n GLU 76 Ca -0.10 0.32 -0.43 0.00 -0.42 0.00 0.00 57.16 56.53 1sq3 n GLU 76 Cb 0.43 -2.49 -0.02 0.00 -0.57 0.00 0.00 31.44 28.79 1sq3 n GLU 76 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1sq3 s GLU 77 N -3.64 4.28 0.84 3.49 2.12 -1.26 -5.00 118.70 119.53 1sq3 s GLU 77 Ca 0.79 1.69 -0.12 0.00 0.36 0.00 0.00 54.97 57.69 1sq3 s GLU 77 Cb -0.35 -3.67 0.10 0.00 0.26 0.00 0.00 34.13 30.46 1sq3 s GLU 77 CO 0.44 -0.60 1.11 -1.25 -0.54 0.00 0.00 175.26 174.42 1sq3 s PRO 78 N 2.93 1.73 1.20 4.30 0.04 -1.26 -5.05 135.00 138.89 1sq3 s PRO 78 Ca 0.56 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.00 1sq3 s PRO 78 Cb -0.23 -1.88 0.29 0.00 0.04 0.00 0.00 34.50 32.71 1sq3 s PRO 78 CO 0.18 -1.85 1.02 -1.25 0.04 0.00 0.00 177.00 175.15 1sq3 s PRO 79 N -5.17 -1.17 0.00 0.56 0.04 -1.26 -5.03 135.00 122.97 1sq3 s PRO 79 Ca 0.62 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1sq3 s PRO 79 Cb -0.15 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1sq3 s PRO 79 CO 0.54 -3.82 0.00 -1.13 0.04 0.00 0.00 177.00 172.63 1sq3 n SER 80 N -4.95 0.00 -4.32 6.66 3.41 -1.26 -4.85 113.62 108.30 1sq3 n SER 80 Ca 0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.43 1sq3 n SER 80 Cb 0.56 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 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 1.24 0.02 4.33 0.41 -1.26 -4.64 118.70 118.81 1sq3 s GLU 81 Ca 0.00 -1.32 -0.03 0.00 -0.41 0.00 0.00 54.97 53.21 1sq3 s GLU 81 Cb 0.00 -1.42 -0.01 0.00 -1.78 0.00 0.00 34.13 30.91 1sq3 s GLU 81 CO 0.00 0.31 0.04 -1.58 -0.49 0.00 0.00 175.26 173.54 1sq3 s TRP 82 N -1.62 0.21 0.19 1.61 0.51 -1.26 -5.05 118.94 113.54 1sq3 s TRP 82 Ca 0.12 -0.48 0.35 0.00 -2.12 0.00 0.00 56.10 53.98 1sq3 s TRP 82 Cb -0.08 -0.16 1.70 0.00 -0.81 0.00 0.00 33.47 34.12 1sq3 s TRP 82 CO 0.06 -0.28 2.05 -0.44 -0.51 0.00 0.00 176.95 177.83 1sq3 h ASP 83 N 4.17 0.00 0.00 2.95 3.32 -2.01 -3.46 116.42 121.39 1sq3 h ASP 83 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1sq3 h ASP 83 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1sq3 h ASP 83 CO 0.46 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.44 1sq3 n SER 84 N -2.84 0.00 -0.32 6.45 3.41 -1.26 -4.99 113.62 114.07 1sq3 n SER 84 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.69 1sq3 n SER 84 Cb 0.16 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.41 1sq3 n SER 84 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1sq3 h PRO 85 N 0.00 0.85 -0.70 4.33 0.11 -2.00 -0.55 132.00 134.04 1sq3 h PRO 85 Ca 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1sq3 h PRO 85 Cb 0.00 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.88 1sq3 h PRO 85 CO 0.00 0.56 0.41 1.25 -0.21 0.00 0.00 178.00 180.01 1sq3 h LEU 86 N 0.88 0.85 -0.25 2.35 5.85 -1.95 -2.25 115.31 120.79 1sq3 h LEU 86 Ca 0.47 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 1sq3 h LEU 86 Cb 0.57 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1sq3 h LEU 86 CO -0.24 0.68 -0.32 0.00 -0.34 0.00 0.00 178.44 178.22 1sq3 h ALA 87 N 1.21 0.38 -0.24 1.25 0.00 -1.66 -1.52 119.26 118.69 1sq3 h ALA 87 Ca 0.25 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1sq3 h ALA 87 Cb -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1sq3 h ALA 87 CO -0.04 0.42 -0.29 0.00 0.00 0.00 0.00 179.25 179.33 1sq3 h ALA 88 N 0.66 -0.23 0.00 0.00 0.00 -0.89 -0.65 119.26 118.16 1sq3 h ALA 88 Ca 0.03 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1sq3 h ALA 88 Cb 0.90 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1sq3 h ALA 88 CO 0.08 -0.73 -0.32 0.74 0.00 0.00 0.00 179.25 179.02 1sq3 h PHE 89 N -0.30 0.00 -0.73 0.00 0.04 -1.27 0.30 116.94 114.97 1sq3 h PHE 89 Ca 0.13 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 1sq3 h PHE 89 Cb 0.51 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 1sq3 h PHE 89 CO -0.43 0.32 0.30 0.93 -0.60 0.00 0.00 178.31 178.83 1sq3 h GLU 90 N 0.00 1.09 -0.64 1.51 5.08 -0.65 -0.71 114.58 120.25 1sq3 h GLU 90 Ca -0.00 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1sq3 h GLU 90 Cb 0.70 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1sq3 h GLU 90 CO 0.04 0.89 0.40 1.25 -1.00 0.00 0.00 179.01 180.59 1sq3 h HIS 91 N 1.05 0.76 0.17 4.33 2.76 0.52 -0.99 115.15 123.75 1sq3 h HIS 91 Ca 0.25 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1sq3 h HIS 91 Cb 0.20 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1sq3 h HIS 91 CO 0.02 0.44 -0.25 0.28 -1.30 0.00 0.00 177.93 177.12 1sq3 h VAL 92 N 0.80 0.44 -0.13 5.26 2.07 -0.57 0.11 116.25 124.24 1sq3 h VAL 92 Ca 0.25 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 1sq3 h VAL 92 Cb -0.01 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1sq3 h VAL 92 CO -0.09 0.00 -0.09 0.22 0.02 0.00 0.00 177.57 177.63 1sq3 h TYR 93 N -0.49 -0.21 -0.54 1.57 3.20 -0.92 0.32 116.97 119.90 1sq3 h TYR 93 Ca 0.02 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1sq3 h TYR 93 Cb 0.49 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1sq3 h TYR 93 CO -0.21 -0.14 0.06 0.93 -1.64 0.00 0.00 178.16 177.16 1sq3 h GLU 94 N -0.09 0.88 -0.38 1.82 3.07 -0.91 0.23 114.58 119.21 1sq3 h GLU 94 Ca 0.08 -0.22 -0.16 0.00 -0.50 0.00 0.00 59.36 58.56 1sq3 h GLU 94 Cb 0.21 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1sq3 h GLU 94 CO -0.19 0.84 -0.39 1.25 -1.40 0.00 0.00 179.01 179.13 1sq3 h HIS 95 N 0.83 1.10 0.00 4.33 2.76 -0.17 -1.75 115.15 122.26 1sq3 h HIS 95 Ca 0.17 -0.33 -0.08 0.00 -2.20 0.00 0.00 60.37 57.93 1sq3 h HIS 95 Cb 0.41 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1sq3 h HIS 95 CO 0.02 1.15 -0.39 0.93 -1.30 0.00 0.00 177.93 178.35 1sq3 h GLU 96 N 0.75 0.00 -0.51 5.26 4.39 0.61 -0.62 114.58 124.46 1sq3 h GLU 96 Ca 0.06 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1sq3 h GLU 96 Cb 0.98 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1sq3 h GLU 96 CO 0.09 0.39 0.02 0.28 -1.16 0.00 0.00 179.01 178.63 1sq3 h VAL 97 N 0.00 1.25 0.00 3.13 2.07 -0.04 -0.88 116.25 121.78 1sq3 h VAL 97 Ca -0.00 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1sq3 h VAL 97 Cb 0.70 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1sq3 h VAL 97 CO 0.05 0.36 -0.25 0.78 0.02 0.00 0.00 177.57 178.53 1sq3 h ASN 98 N 0.79 0.00 -0.31 0.57 2.35 -0.46 -2.63 115.58 115.89 1sq3 h ASN 98 Ca 0.15 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.76 1sq3 h ASN 98 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1sq3 h ASN 98 CO 0.02 0.25 -0.39 0.58 -1.65 0.00 0.00 177.43 176.24 1sq3 h VAL 99 N 0.00 1.29 -0.57 2.81 2.07 -0.44 -2.11 116.25 119.30 1sq3 h VAL 99 Ca -0.00 -1.57 0.10 0.00 0.82 0.00 0.00 66.70 66.05 1sq3 h VAL 99 Cb 0.98 1.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 1sq3 h VAL 99 CO 0.03 0.51 0.13 0.74 0.02 0.00 0.00 177.57 179.00 1sq3 h THR 100 N 0.57 0.67 -0.68 2.57 2.02 -1.03 -1.29 112.91 115.75 1sq3 h THR 100 Ca 0.04 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1sq3 h THR 100 Cb 0.98 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1sq3 h THR 100 CO 0.09 0.05 0.13 0.50 0.37 0.00 0.00 175.52 176.66 1sq3 h LYS 101 N 0.26 1.11 -0.86 6.66 3.64 -1.17 -0.02 116.57 126.20 1sq3 h LYS 101 Ca 0.30 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sq3 h LYS 101 Cb 0.43 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1sq3 h LYS 101 CO -0.38 1.00 0.55 -0.09 -2.27 0.00 0.00 179.45 178.27 1sq3 h ARG 102 N 1.03 1.14 -0.16 1.90 1.12 -0.69 -2.08 114.38 116.64 1sq3 h ARG 102 Ca 0.21 -0.08 -0.12 0.00 -1.11 0.00 0.00 59.98 58.88 1sq3 h ARG 102 Cb 0.42 -0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1sq3 h ARG 102 CO 0.01 0.76 -0.39 0.97 -3.11 0.00 0.00 179.97 178.21 1sq3 h ILE 103 N 1.17 1.35 -0.69 1.20 6.09 0.05 -1.58 117.51 125.08 1sq3 h ILE 103 Ca 0.31 -1.65 0.10 0.00 -1.37 0.00 0.00 64.86 62.25 1sq3 h ILE 103 Cb -0.11 1.98 -0.04 0.00 0.47 0.00 0.00 36.82 39.12 1sq3 h ILE 103 CO -0.07 0.50 0.46 0.45 -3.07 0.00 0.00 178.15 176.42 1sq3 h HIS 104 N 0.19 0.58 -0.05 2.19 3.86 -0.94 -1.88 115.15 119.10 1sq3 h HIS 104 Ca -0.00 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 1sq3 h HIS 104 Cb 1.00 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1sq3 h HIS 104 CO 0.10 0.27 -0.85 0.93 0.86 0.00 0.00 177.93 179.24 1sq3 h GLU 105 N 0.54 0.50 -0.83 2.45 5.08 -1.01 -1.26 114.58 120.05 1sq3 h GLU 105 Ca 0.32 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1sq3 h GLU 105 Cb 0.53 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1sq3 h GLU 105 CO -0.11 1.10 0.52 -0.07 -1.00 0.00 0.00 179.01 179.46 1sq3 h LEU 106 N 0.31 0.84 -0.08 1.33 3.38 -0.76 -3.09 115.31 117.23 1sq3 h LEU 106 Ca -0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1sq3 h LEU 106 Cb 1.46 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1sq3 h LEU 106 CO 0.15 0.56 -0.04 0.58 0.09 0.00 0.00 178.44 179.77 1sq3 h VAL 107 N 0.98 1.33 0.00 1.22 2.07 -0.99 -1.32 116.25 119.54 1sq3 h VAL 107 Ca 0.35 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1sq3 h VAL 107 Cb 0.10 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1sq3 h VAL 107 CO -0.15 0.30 0.00 -0.62 0.02 0.00 0.00 177.57 177.12 1sq3 n GLU 108 N -4.75 0.00 -0.32 1.57 -0.58 -0.51 -4.62 120.64 111.44 1sq3 n GLU 108 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1sq3 n GLU 108 Cb 0.27 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1sq3 n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sq3 n ALA 110 N 0.73 0.00 0.00 0.62 0.00 -0.50 -4.62 120.51 116.74 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 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1sq3 n ALA 110 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sq3 n GLN 112 N -0.32 0.00 -0.15 0.00 -0.06 -1.26 0.16 117.38 115.75 1sq3 n GLN 112 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.09 1sq3 n GLN 112 Cb 0.00 0.00 0.26 0.00 -4.06 0.00 0.00 30.24 26.44 1sq3 n GLN 112 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1sq3 n GLU 113 N 0.00 1.89 -3.73 3.69 1.02 -1.26 -4.93 120.64 117.32 1sq3 n GLU 113 Ca 0.00 -1.36 -0.29 0.00 -0.02 0.00 0.00 57.16 55.49 1sq3 n GLU 113 Cb 0.00 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.59 -3.95 -3.34 3.49 5.02 -0.74 -4.89 118.16 114.34 1sq3 n LYS 114 Ca 0.15 0.49 -0.46 0.00 -2.02 0.00 0.00 58.31 56.47 1sq3 n LYS 114 Cb 0.35 -5.26 -0.04 0.00 -0.02 0.00 0.00 35.03 30.06 1sq3 n LYS 114 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sq3 s ASP 115 N -3.02 6.46 0.04 4.39 -1.08 0.12 -4.87 116.67 118.70 1sq3 s ASP 115 Ca 0.56 -2.28 0.04 0.00 -0.52 0.00 0.00 52.55 50.35 1sq3 s ASP 115 Cb -0.30 -2.20 -0.24 0.00 -1.46 0.00 0.00 42.92 38.73 1sq3 s ASP 115 CO 0.69 -0.70 0.98 -0.26 0.52 0.00 0.00 175.17 176.41 1sq3 h PHE 116 N 8.26 0.19 -0.07 -5.34 0.04 -1.90 -1.26 116.94 116.85 1sq3 h PHE 116 Ca -0.08 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.59 1sq3 h PHE 116 Cb 1.07 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.16 1sq3 h PHE 116 CO 0.89 1.15 -0.21 0.00 -0.60 0.00 0.00 178.31 179.54 1sq3 h ALA 117 N 0.80 -0.21 -0.63 2.45 0.00 -1.97 -0.33 119.26 119.37 1sq3 h ALA 117 Ca -0.16 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1sq3 h ALA 117 Cb 1.92 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 1sq3 h ALA 117 CO 0.13 -0.68 0.07 1.15 0.00 0.00 0.00 179.25 179.92 1sq3 h THR 118 N -0.30 1.26 -0.37 0.00 2.02 -1.92 -1.84 112.91 111.77 1sq3 h THR 118 Ca 0.08 -1.06 0.08 0.00 0.77 0.00 0.00 66.41 66.28 1sq3 h THR 118 Cb 0.41 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 1sq3 h THR 118 CO -0.24 0.39 -0.15 0.22 0.37 0.00 0.00 175.52 176.11 1sq3 h TYR 119 N 0.98 -0.36 -0.34 3.16 3.20 -0.96 -1.92 116.97 120.73 1sq3 h TYR 119 Ca 0.19 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 1sq3 h TYR 119 Cb 0.47 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1sq3 h TYR 119 CO 0.03 -0.23 -0.23 -0.91 -1.64 0.00 0.00 178.16 175.18 1sq3 h ASN 120 N -0.08 0.68 0.21 -2.11 -0.26 -0.70 -2.38 115.58 110.94 1sq3 h ASN 120 Ca 0.18 -0.24 -0.08 0.00 -0.56 0.00 0.00 56.30 55.60 1sq3 h ASN 120 Cb 0.36 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1sq3 h ASN 120 CO -0.42 0.90 -0.32 0.15 -1.06 0.00 0.00 177.43 176.67 1sq3 h PHE 121 N 0.59 0.20 0.00 1.19 3.57 -1.02 -2.75 116.94 118.72 1sq3 h PHE 121 Ca 0.08 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1sq3 h PHE 121 Cb 0.71 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1sq3 h PHE 121 CO 0.03 0.49 0.00 -0.07 -2.23 0.00 0.00 178.31 176.53 1sq3 h LEU 122 N 0.16 0.00 -2.23 0.59 3.38 -0.82 -3.02 115.31 113.36 1sq3 h LEU 122 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sq3 h LEU 122 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1sq3 h LEU 122 CO 0.05 0.00 0.01 1.56 0.09 0.00 0.00 178.44 180.15 1sq3 h GLN 123 N 0.00 0.00 -0.73 1.13 1.08 -1.34 0.12 115.11 115.38 1sq3 h GLN 123 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1sq3 h GLN 123 Cb 0.83 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.23 1sq3 h GLN 123 CO 0.00 0.00 0.21 2.35 -0.95 0.00 0.00 178.83 180.44 1sq3 h TRP 124 N 0.00 1.19 0.00 2.96 7.01 -1.69 -1.27 115.95 124.15 1sq3 h TRP 124 Ca 0.01 -0.13 -0.16 0.00 2.11 0.00 0.00 58.89 60.72 1sq3 h TRP 124 Cb 0.03 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.73 1sq3 h TRP 124 CO 0.00 0.95 -0.74 1.88 -2.79 0.00 0.00 178.44 177.73 1sq3 h TYR 125 N 1.09 0.00 -0.26 2.65 -1.99 -1.15 -1.43 116.97 115.89 1sq3 h TYR 125 Ca 0.23 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.97 1sq3 h TYR 125 Cb 0.33 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 1sq3 h TYR 125 CO 0.03 0.74 0.14 0.28 -0.00 0.00 0.00 178.16 179.35 1sq3 h VAL 126 N 0.00 1.02 -0.24 -2.88 2.07 -0.24 -1.77 116.25 114.21 1sq3 h VAL 126 Ca -0.01 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 1sq3 h VAL 126 Cb 1.38 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1sq3 h VAL 126 CO 0.10 0.05 -0.47 0.00 0.02 0.00 0.00 177.57 177.27 1sq3 h ALA 127 N 1.12 0.73 -0.61 1.67 0.00 -1.16 -2.91 119.26 118.09 1sq3 h ALA 127 Ca 0.10 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1sq3 h ALA 127 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1sq3 h ALA 127 CO -0.05 0.67 0.09 1.49 0.00 0.00 0.00 179.25 181.44 1sq3 h GLU 128 N 0.50 1.01 -0.14 0.00 4.57 -1.12 -2.47 114.58 116.92 1sq3 h GLU 128 Ca 0.03 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 1sq3 h GLU 128 Cb 1.00 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1sq3 h GLU 128 CO 0.09 0.94 -0.30 1.96 -1.18 0.00 0.00 179.01 180.52 1sq3 h GLN 129 N 0.95 0.27 -0.69 1.92 1.08 -1.14 0.73 115.11 118.23 1sq3 h GLN 129 Ca 0.19 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 1sq3 h GLN 129 Cb 0.43 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.79 1sq3 h GLN 129 CO 0.01 0.56 0.41 0.28 -0.95 0.00 0.00 178.83 179.14 1sq3 h VAL 130 N 0.24 1.03 -0.21 -0.54 2.07 -1.27 -1.06 116.25 116.51 1sq3 h VAL 130 Ca 0.03 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 1sq3 h VAL 130 Cb 0.67 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1sq3 h VAL 130 CO 0.05 0.14 -0.51 -0.08 0.02 0.00 0.00 177.57 177.19 1sq3 h GLU 131 N 0.77 0.71 -0.59 1.57 4.22 -1.13 -2.35 114.58 117.77 1sq3 h GLU 131 Ca 0.29 -0.49 0.11 0.00 0.08 0.00 0.00 59.36 59.36 1sq3 h GLU 131 Cb 0.11 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 1sq3 h GLU 131 CO -0.15 1.11 0.14 0.93 -2.18 0.00 0.00 179.01 178.86 1sq3 h GLU 132 N 0.42 0.27 -0.07 1.92 4.39 -0.47 0.82 114.58 121.85 1sq3 h GLU 132 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1sq3 h GLU 132 Cb 1.12 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1sq3 h GLU 132 CO 0.11 0.18 -0.04 0.93 -1.16 0.00 0.00 179.01 179.03 1sq3 h GLU 133 N 0.28 0.16 -0.23 2.33 5.08 -1.17 -2.38 114.58 118.65 1sq3 h GLU 133 Ca 0.31 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1sq3 h GLU 133 Cb 0.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1sq3 h GLU 133 CO -0.38 0.54 0.08 0.00 -1.00 0.00 0.00 179.01 178.25 1sq3 h ALA 134 N 0.61 1.71 -0.05 3.43 0.00 -0.92 -0.87 119.26 123.18 1sq3 h ALA 134 Ca 0.02 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1sq3 h ALA 134 Cb 0.50 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sq3 h ALA 134 CO 0.01 0.23 -0.79 0.77 0.00 0.00 0.00 179.25 179.47 1sq3 h SER 135 N 0.32 0.78 0.21 0.00 0.02 -0.77 -1.88 113.55 112.23 1sq3 h SER 135 Ca 0.08 -0.71 -0.01 0.00 -0.84 0.00 0.00 61.79 60.31 1sq3 h SER 135 Cb 0.09 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1sq3 h SER 135 CO -0.01 1.38 -0.10 0.00 -1.14 0.00 0.00 176.83 176.96 1sq3 h ALA 136 N 0.42 -0.29 -0.70 3.77 0.00 -0.97 -3.16 119.26 118.33 1sq3 h ALA 136 Ca -0.09 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.77 1sq3 h ALA 136 Cb 1.46 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.22 1sq3 h ALA 136 CO 0.16 -0.47 -0.20 1.25 0.00 0.00 0.00 179.25 179.99 1sq3 h LEU 137 N -0.66 -0.73 -0.72 0.00 5.85 -1.26 -0.59 115.31 117.20 1sq3 h LEU 137 Ca -0.03 0.22 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1sq3 h LEU 137 Cb 0.47 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 1sq3 h LEU 137 CO 0.05 -0.25 0.10 -0.78 -0.34 0.00 0.00 178.44 177.23 1sq3 h ASP 138 N -0.02 -0.13 0.09 1.25 3.58 -1.37 0.50 116.42 120.32 1sq3 h ASP 138 Ca 0.33 0.16 -0.28 0.00 0.42 0.00 0.00 57.03 57.66 1sq3 h ASP 138 Cb 0.53 0.25 0.03 0.00 1.72 0.00 0.00 39.33 41.85 1sq3 h ASP 138 CO -0.73 -0.09 -1.16 0.40 -2.88 0.00 0.00 179.24 174.78 1sq3 h ILE 139 N 0.19 1.29 -0.48 2.25 2.04 -1.35 -0.37 117.51 121.07 1sq3 h ILE 139 Ca 0.40 -2.39 0.10 0.00 1.00 0.00 0.00 64.86 63.97 1sq3 h ILE 139 Cb 0.69 2.63 -0.10 0.00 -0.74 0.00 0.00 36.82 39.31 1sq3 h ILE 139 CO -0.56 0.73 -0.18 0.58 0.00 0.00 0.00 178.15 178.72 1sq3 h VAL 140 N 0.27 0.41 -0.21 1.67 2.07 -0.33 0.32 116.25 120.44 1sq3 h VAL 140 Ca -0.17 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1sq3 h VAL 140 Cb 1.83 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1sq3 h VAL 140 CO 0.22 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 177.20 1sq3 h GLU 141 N -0.07 0.41 -0.45 1.57 5.08 0.11 -1.91 114.58 119.32 1sq3 h GLU 141 Ca 0.23 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1sq3 h GLU 141 Cb 0.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1sq3 h GLU 141 CO -0.54 0.66 0.22 0.87 -1.00 0.00 0.00 179.01 179.22 1sq3 h LYS 142 N 0.36 0.64 -0.08 2.33 1.57 -0.22 -2.67 116.57 118.50 1sq3 h LYS 142 Ca 0.05 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1sq3 h LYS 142 Cb 0.69 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1sq3 h LYS 142 CO 0.05 0.55 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.10 1sq3 h LEU 143 N 0.58 0.15 -0.08 2.94 3.38 -0.02 -2.01 115.31 120.24 1sq3 h LEU 143 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1sq3 h LEU 143 Cb 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sq3 h LEU 143 CO -0.02 0.46 -0.23 0.03 0.09 0.00 0.00 178.44 178.77 1sq3 h ARG 144 N 0.13 0.30 0.00 1.13 3.08 -1.30 -2.02 114.38 115.70 1sq3 h ARG 144 Ca 0.02 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1sq3 h ARG 144 Cb 0.62 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1sq3 h ARG 144 CO 0.05 0.83 0.08 -0.11 -1.07 0.00 0.00 179.97 179.74 1sq3 n LEU 145 N -4.51 0.22 -0.09 3.04 0.00 -1.01 -2.50 117.00 112.14 1sq3 n LEU 145 Ca -0.08 0.55 -0.09 0.00 0.00 0.00 0.00 56.01 56.39 1sq3 n LEU 145 Cb 0.44 -0.57 -0.14 0.00 0.00 0.00 0.00 43.42 43.15 1sq3 n LEU 145 CO 0.40 -0.63 -1.10 -0.38 0.00 0.00 0.00 177.39 175.68 1sq3 n ILE 146 N -1.77 1.24 0.00 1.96 5.41 -0.77 -5.00 119.36 120.44 1sq3 n ILE 146 Ca -0.01 -0.75 0.00 0.00 1.00 0.00 0.00 62.75 63.00 1sq3 n ILE 146 Cb 0.09 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 1sq3 n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sq3 n GLY 147 N 1.92 3.06 0.11 7.39 0.00 -0.81 -0.68 105.19 116.18 1sq3 n GLY 147 Ca -0.30 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1sq3 n GLY 147 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sq3 h GLU 148 N 0.00 0.00 -6.22 1.61 4.39 -1.91 -3.48 114.58 108.97 1sq3 h GLU 148 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1sq3 h GLU 148 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1sq3 h GLU 148 CO 0.00 0.69 1.11 -3.47 -1.16 0.00 0.00 179.01 176.18 1sq3 n ASP 149 N -3.26 3.21 -0.02 1.42 2.03 0.14 -4.87 116.55 115.20 1sq3 n ASP 149 Ca 0.00 0.92 -0.16 0.00 0.52 0.00 0.00 54.79 56.08 1sq3 n ASP 149 Cb 0.83 -1.34 -0.12 0.00 -0.72 0.00 0.00 41.12 39.77 1sq3 n ASP 149 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sq3 h LYS 150 N 9.36 0.17 -0.22 -0.67 6.56 -1.92 -2.59 116.57 127.26 1sq3 h LYS 150 Ca -0.47 -0.20 -0.04 0.00 -1.06 0.00 0.00 60.65 58.88 1sq3 h LYS 150 Cb 1.28 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.99 1sq3 h LYS 150 CO 0.96 0.98 -0.05 -0.09 -2.06 0.00 0.00 179.45 179.18 1sq3 h ARG 151 N -0.55 0.33 0.00 3.15 1.12 -1.99 -1.13 114.38 115.32 1sq3 h ARG 151 Ca -0.04 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 58.71 1sq3 h ARG 151 Cb 1.09 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.99 1sq3 h ARG 151 CO 0.06 0.40 -0.26 0.00 -3.11 0.00 0.00 179.97 177.06 1sq3 h ALA 152 N 1.64 0.96 0.21 2.80 0.00 -1.95 0.22 119.26 123.13 1sq3 h ALA 152 Ca 0.07 -0.23 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 1sq3 h ALA 152 Cb 0.30 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1sq3 h ALA 152 CO 0.01 0.32 -1.20 1.25 0.00 0.00 0.00 179.25 179.63 1sq3 h LEU 153 N 0.00 0.69 -1.14 0.00 5.85 -0.91 -2.16 115.31 117.64 1sq3 h LEU 153 Ca -0.00 -0.94 -0.04 0.00 0.84 0.00 0.00 57.88 57.74 1sq3 h LEU 153 Cb 0.87 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1sq3 h LEU 153 CO 0.03 1.58 0.14 -0.07 -0.34 0.00 0.00 178.44 179.79 1sq3 h LEU 154 N -0.08 0.69 -0.28 2.25 3.38 -1.01 0.21 115.31 120.47 1sq3 h LEU 154 Ca -0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1sq3 h LEU 154 Cb 1.95 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1sq3 h LEU 154 CO 0.22 0.67 0.17 0.15 0.09 0.00 0.00 178.44 179.74 1sq3 h PHE 155 N 0.73 0.37 -0.32 1.13 3.57 -0.59 -1.24 116.94 120.60 1sq3 h PHE 155 Ca 0.17 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1sq3 h PHE 155 Cb 0.24 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1sq3 h PHE 155 CO 0.01 0.27 0.08 1.25 -2.23 0.00 0.00 178.31 177.69 1sq3 h LEU 156 N 0.36 0.48 -1.36 0.59 5.85 -1.09 -2.48 115.31 117.66 1sq3 h LEU 156 Ca 0.10 -0.23 0.17 0.00 0.84 0.00 0.00 57.88 58.77 1sq3 h LEU 156 Cb 0.01 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1sq3 h LEU 156 CO -0.02 0.58 0.58 -0.78 -0.34 0.00 0.00 178.44 178.47 1sq3 h ASP 157 N 0.35 0.56 0.12 1.25 3.58 -0.65 0.18 116.42 121.81 1sq3 h ASP 157 Ca 0.10 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.47 1sq3 h ASP 157 Cb 0.29 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1sq3 h ASP 157 CO 0.00 0.25 -0.44 0.50 -2.88 0.00 0.00 179.24 176.67 1sq3 h LYS 158 N 0.57 0.39 -0.67 0.28 3.11 -0.79 -1.74 116.57 117.72 1sq3 h LYS 158 Ca 0.47 -0.20 -0.01 0.00 -2.81 0.00 0.00 60.65 58.10 1sq3 h LYS 158 Cb 0.93 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.13 1sq3 h LYS 158 CO -0.21 0.75 0.39 0.93 -2.81 0.00 0.00 179.45 178.51 1sq3 h GLU 159 N 0.32 0.91 0.00 1.90 5.08 -0.63 -3.00 114.58 119.16 1sq3 h GLU 159 Ca 0.02 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1sq3 h GLU 159 Cb 0.90 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1sq3 h GLU 159 CO 0.08 0.66 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.93 1sq3 h LEU 160 N 0.91 0.00 -2.11 1.33 4.07 -1.20 -2.03 115.31 116.28 1sq3 h LEU 160 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1sq3 h LEU 160 Cb -0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1sq3 h LEU 160 CO -0.04 0.69 0.08 0.77 -1.08 0.00 0.00 178.44 178.86 1sq3 h SER 161 N 0.00 0.00 1.48 -0.43 4.64 -1.17 -2.46 113.55 115.61 1sq3 h SER 161 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1sq3 h SER 161 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1sq3 h SER 161 CO 0.09 0.00 -0.39 -0.07 -0.87 0.00 0.00 176.83 175.59 1sq3 h LEU 162 N 0.00 0.00 -9.98 5.97 4.07 -1.37 -3.47 115.31 110.53 1sq3 h LEU 162 Ca 0.00 -0.03 -0.54 0.00 0.08 0.00 0.00 57.88 57.39 1sq3 h LEU 162 Cb 0.16 0.00 0.12 0.00 1.08 0.00 0.00 40.66 42.02 1sq3 h LEU 162 CO 0.00 0.01 0.72 -0.60 -1.08 0.00 0.00 178.44 177.50 1sq3 s ARG 163 N -3.24 3.77 0.00 1.13 3.52 -0.92 -5.16 118.95 118.05 1sq3 s ARG 163 Ca 0.05 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 1sq3 s ARG 163 Cb 0.08 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 1sq3 s ARG 163 CO 0.70 -0.76 0.19 1.04 -0.81 0.00 0.00 175.30 175.66