#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 0.31 -1.70 -1.33 3.06 -1.26 -4.93 119.36 113.51 1sq3 n ILE 4 Ca 0.00 -0.08 -0.29 0.00 -2.50 0.00 0.00 62.75 59.88 1sq3 n ILE 4 Cb 0.00 -1.90 0.09 0.00 0.54 0.00 0.00 39.64 38.37 1sq3 n ILE 4 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1sq3 s SER 5 N 0.93 4.48 0.22 9.51 1.04 -1.26 -4.89 113.70 123.72 1sq3 s SER 5 Ca 0.72 1.08 0.05 0.00 0.48 0.00 0.00 55.95 58.28 1sq3 s SER 5 Cb -0.53 -1.74 0.20 0.00 0.10 0.00 0.00 66.02 64.06 1sq3 s SER 5 CO 0.38 -1.95 1.52 -0.33 0.98 0.00 0.00 173.24 173.84 1sq3 h GLU 6 N -1.08 0.18 -0.01 4.02 5.08 -2.05 -1.72 114.58 119.00 1sq3 h GLU 6 Ca -0.47 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1sq3 h GLU 6 Cb 1.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1sq3 h GLU 6 CO 0.62 0.79 0.00 1.17 -1.00 0.00 0.00 179.01 180.59 1sq3 n LYS 7 N -3.80 0.02 0.00 2.33 4.81 -1.26 -1.66 118.16 118.59 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 0.67 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.71 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 0.01 0.00 0.08 3.15 0.31 -0.65 -1.97 118.33 119.27 1sq3 n VAL 9 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1sq3 n VAL 9 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1sq3 n VAL 9 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1sq3 h GLU 10 N 0.00 0.00 -0.06 5.55 -0.00 -1.58 -0.88 114.58 117.60 1sq3 h GLU 10 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.17 1sq3 h GLU 10 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1sq3 h GLU 10 CO 0.00 0.73 -0.75 0.00 -0.00 0.00 0.00 179.01 178.98 1sq3 h ALA 11 N 1.21 0.58 -0.47 1.06 0.00 -1.64 -1.28 119.26 118.72 1sq3 h ALA 11 Ca -0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1sq3 h ALA 11 Cb 1.64 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1sq3 h ALA 11 CO 0.10 0.78 0.01 -0.07 0.00 0.00 0.00 179.25 180.06 1sq3 h LEU 12 N 0.25 0.81 -1.40 0.00 3.38 -1.80 -1.95 115.31 114.61 1sq3 h LEU 12 Ca -0.03 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1sq3 h LEU 12 Cb 1.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1sq3 h LEU 12 CO 0.13 0.92 0.20 0.78 0.09 0.00 0.00 178.44 180.56 1sq3 h ASN 13 N 0.68 0.55 -0.47 -0.43 2.35 -0.93 0.37 115.58 117.69 1sq3 h ASN 13 Ca 0.13 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1sq3 h ASN 13 Cb 0.50 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1sq3 h ASN 13 CO 0.02 0.48 -0.22 0.03 -1.65 0.00 0.00 177.43 176.09 1sq3 h ARG 14 N 0.61 0.99 0.00 0.81 2.47 -1.09 -2.16 114.38 116.01 1sq3 h ARG 14 Ca 0.15 -0.42 -0.10 0.00 -1.26 0.00 0.00 59.98 58.35 1sq3 h ARG 14 Cb 0.08 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1sq3 h ARG 14 CO -0.02 1.10 -0.50 0.37 0.56 0.00 0.00 179.97 181.48 1sq3 h GLN 15 N 0.85 0.00 -0.60 0.04 5.75 -0.47 0.23 115.11 120.91 1sq3 h GLN 15 Ca 0.11 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 1sq3 h GLN 15 Cb 0.79 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 1sq3 h GLN 15 CO 0.07 0.50 -0.02 0.82 -2.65 0.00 0.00 178.83 177.55 1sq3 h ILE 16 N 0.00 1.27 -0.77 2.39 2.04 -0.73 0.76 117.51 122.48 1sq3 h ILE 16 Ca -0.00 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1sq3 h ILE 16 Cb 0.89 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1sq3 h ILE 16 CO 0.06 0.42 0.32 -1.13 0.00 0.00 0.00 178.15 177.83 1sq3 h ASN 17 N 0.97 1.05 0.00 1.72 -1.24 -0.70 -1.53 115.58 115.85 1sq3 h ASN 17 Ca 0.17 -0.17 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1sq3 h ASN 17 Cb 0.58 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 1sq3 h ASN 17 CO 0.03 0.93 -0.25 0.00 -1.29 0.00 0.00 177.43 176.85 1sq3 h ALA 18 N 1.16 1.16 -0.25 1.57 0.00 -0.55 0.22 119.26 122.58 1sq3 h ALA 18 Ca 0.26 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1sq3 h ALA 18 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sq3 h ALA 18 CO -0.02 0.53 -0.25 0.93 0.00 0.00 0.00 179.25 180.44 1sq3 h GLU 19 N 0.36 0.61 -0.42 0.00 4.39 -0.48 0.90 114.58 119.94 1sq3 h GLU 19 Ca 0.05 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 1sq3 h GLU 19 Cb 0.64 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1sq3 h GLU 19 CO 0.05 0.92 0.07 0.82 -1.16 0.00 0.00 179.01 179.70 1sq3 h ILE 20 N 0.33 1.20 -0.17 3.13 2.04 -1.12 0.10 117.51 123.02 1sq3 h ILE 20 Ca 0.04 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1sq3 h ILE 20 Cb 0.80 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1sq3 h ILE 20 CO 0.06 0.27 -0.28 0.22 0.00 0.00 0.00 178.15 178.42 1sq3 h TYR 21 N 0.61 0.61 -0.74 1.37 3.20 -0.36 -1.57 116.97 120.10 1sq3 h TYR 21 Ca 0.14 -0.21 0.13 0.00 3.14 0.00 0.00 58.73 61.93 1sq3 h TYR 21 Cb 0.29 -0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.35 1sq3 h TYR 21 CO 0.01 0.92 0.30 0.77 -1.64 0.00 0.00 178.16 178.52 1sq3 h SER 22 N 0.13 0.29 -0.73 -2.11 0.02 -0.28 0.28 113.55 111.16 1sq3 h SER 22 Ca 0.01 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1sq3 h SER 22 Cb 0.86 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 1sq3 h SER 22 CO 0.06 0.12 0.38 0.00 -1.14 0.00 0.00 176.83 176.25 1sq3 h ALA 23 N 1.53 1.02 0.00 3.77 0.00 -0.54 -2.32 119.26 122.71 1sq3 h ALA 23 Ca 0.40 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.21 1sq3 h ALA 23 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1sq3 h ALA 23 CO -0.38 -0.02 -0.72 -0.92 0.00 0.00 0.00 179.25 177.21 1sq3 h TYR 24 N 0.64 0.00 0.24 0.00 3.20 0.37 -0.61 116.97 120.81 1sq3 h TYR 24 Ca 0.36 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 1sq3 h TYR 24 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1sq3 h TYR 24 CO -0.10 0.72 -0.12 1.25 -1.64 0.00 0.00 178.16 178.28 1sq3 h LEU 25 N 0.00 -0.28 -1.05 2.82 5.85 -0.26 -0.84 115.31 121.56 1sq3 h LEU 25 Ca -0.01 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1sq3 h LEU 25 Cb 1.46 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1sq3 h LEU 25 CO 0.09 -0.15 -0.47 1.88 -0.34 0.00 0.00 178.44 179.46 1sq3 h TYR 26 N -0.38 0.00 -0.81 1.25 0.05 -0.88 -1.33 116.97 114.86 1sq3 h TYR 26 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1sq3 h TYR 26 Cb 0.29 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 1sq3 h TYR 26 CO -0.04 0.47 0.37 1.25 -1.05 0.00 0.00 178.16 179.15 1sq3 h LEU 27 N 0.00 1.08 -1.99 3.88 5.85 -0.97 0.10 115.31 123.27 1sq3 h LEU 27 Ca -0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1sq3 h LEU 27 Cb 0.85 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1sq3 h LEU 27 CO 0.06 0.93 0.00 -0.24 -0.34 0.00 0.00 178.44 178.85 1sq3 n SER 28 N -4.30 0.82 0.00 1.25 2.88 -0.34 -2.51 113.62 111.42 1sq3 n SER 28 Ca 0.08 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1sq3 n SER 28 Cb 0.16 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.86 0.00 -0.03 -1.46 0.00 0.36 -1.79 120.51 118.44 1sq3 n ALA 30 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1sq3 n ALA 30 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.29 -0.53 0.00 0.87 -1.77 -1.52 113.55 110.30 1sq3 h SER 31 Ca 0.00 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1sq3 h SER 31 Cb 0.00 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 1sq3 h SER 31 CO 0.00 -0.11 0.27 0.22 -0.53 0.00 0.00 176.83 176.67 1sq3 h TYR 32 N -0.06 0.49 -0.01 2.24 3.20 -1.61 -1.13 116.97 120.08 1sq3 h TYR 32 Ca 0.10 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1sq3 h TYR 32 Cb 0.21 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1sq3 h TYR 32 CO -0.24 0.23 -0.53 0.74 -1.64 0.00 0.00 178.16 176.72 1sq3 h PHE 33 N 0.52 0.04 -0.28 -3.82 0.04 -1.80 -2.46 116.94 109.17 1sq3 h PHE 33 Ca 0.24 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.01 1sq3 h PHE 33 Cb 0.15 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1sq3 h PHE 33 CO -0.10 0.56 0.16 -0.44 -0.60 0.00 0.00 178.31 177.88 1sq3 h ASP 34 N 0.03 0.25 0.75 2.17 3.32 -0.62 0.24 116.42 122.55 1sq3 h ASP 34 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sq3 h ASP 34 Cb 0.95 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1sq3 h ASP 34 CO 0.07 0.18 0.00 0.77 -1.72 0.00 0.00 179.24 178.54 1sq3 h SER 35 N 0.32 0.00 -0.20 6.45 4.64 -0.76 -1.92 113.55 122.08 1sq3 h SER 35 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1sq3 h SER 35 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1sq3 h SER 35 CO -0.06 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.20 1sq3 n ILE 36 N -2.67 1.53 -0.58 0.95 -5.35 -1.09 -5.00 119.36 107.14 1sq3 n ILE 36 Ca 0.01 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.02 1sq3 n ILE 36 Cb 0.24 0.15 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 -0.29 0.71 3.34 3.28 0.00 -0.72 -5.00 105.19 106.50 1sq3 n GLY 37 Ca 0.13 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 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 5.53 0.18 0.99 4.77 0.03 -4.84 117.00 123.66 1sq3 n LEU 38 Ca 0.00 -5.00 0.03 0.00 -0.03 0.00 0.00 56.01 51.01 1sq3 n LEU 38 Cb 0.00 -1.49 0.41 0.00 -2.33 0.00 0.00 43.42 40.01 1sq3 n LEU 38 CO 0.00 1.31 0.81 0.11 -1.33 0.00 0.00 177.39 178.29 1sq3 h LYS 39 N 6.65 0.05 -0.29 3.23 1.79 -1.91 -1.48 116.57 124.61 1sq3 h LYS 39 Ca 0.19 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.50 1sq3 h LYS 39 Cb 0.87 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1sq3 h LYS 39 CO 1.04 0.32 -0.39 0.78 -1.08 0.00 0.00 179.45 180.12 1sq3 h GLY 40 N 0.86 0.86 0.97 3.86 0.00 -1.89 -0.40 103.07 107.33 1sq3 h GLY 40 Ca 0.01 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.40 1sq3 h GLY 40 CO 0.04 0.84 0.22 0.74 0.00 0.00 0.00 176.54 178.37 1sq3 h PHE 41 N 0.55 0.51 -0.99 5.60 -1.00 -1.67 -1.54 116.94 118.39 1sq3 h PHE 41 Ca 0.03 -0.01 0.16 0.00 2.81 0.00 0.00 57.97 60.97 1sq3 h PHE 41 Cb 0.98 -0.16 -0.10 0.00 3.61 0.00 0.00 35.95 40.28 1sq3 h PHE 41 CO 0.07 0.38 0.60 1.03 -1.61 0.00 0.00 178.31 178.78 1sq3 h SER 42 N 0.49 0.81 -0.27 2.17 0.87 -1.16 -1.90 113.55 114.57 1sq3 h SER 42 Ca 0.13 0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.60 1sq3 h SER 42 Cb 0.03 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1sq3 h SER 42 CO -0.02 0.34 -0.50 -1.13 -0.53 0.00 0.00 176.83 174.99 1sq3 h ASN 43 N 0.83 0.93 0.00 6.23 -0.73 -0.53 -2.03 115.58 120.29 1sq3 h ASN 43 Ca 0.54 -0.48 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1sq3 h ASN 43 Cb 0.74 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1sq3 h ASN 43 CO -0.34 1.27 0.00 1.87 -0.37 0.00 0.00 177.43 179.85 1sq3 n TRP 44 N -4.01 0.00 0.00 0.67 -0.00 -0.63 -1.76 117.44 111.71 1sq3 n TRP 44 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 1sq3 n TRP 44 Cb 0.60 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.90 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 0.48 0.00 -0.15 5.87 5.12 -0.76 -0.95 116.66 126.26 1sq3 n ARG 46 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1sq3 n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 1.17 -0.30 1.55 2.07 -1.62 -2.36 116.25 116.76 1sq3 h VAL 47 Ca 0.00 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1sq3 h VAL 47 Cb 0.00 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1sq3 h VAL 47 CO 0.00 0.18 0.04 -0.61 0.02 0.00 0.00 177.57 177.20 1sq3 h GLN 48 N 0.57 0.44 0.00 1.57 5.75 -1.30 -0.80 115.11 121.33 1sq3 h GLN 48 Ca 0.15 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1sq3 h GLN 48 Cb 0.08 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1sq3 h GLN 48 CO -0.02 0.44 -0.32 2.35 -2.65 0.00 0.00 178.83 178.62 1sq3 h TRP 49 N 0.43 0.00 0.19 3.99 2.91 -1.72 0.70 115.95 122.45 1sq3 h TRP 49 Ca 0.10 0.00 -0.32 0.00 1.13 0.00 0.00 58.89 59.80 1sq3 h TRP 49 Cb 0.23 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 28.90 1sq3 h TRP 49 CO 0.01 0.32 -1.46 1.96 -1.03 0.00 0.00 178.44 178.24 1sq3 h GLN 50 N 0.00 0.40 -0.12 2.65 4.20 -0.89 -2.47 115.11 118.88 1sq3 h GLN 50 Ca -0.00 -0.69 0.02 0.00 0.06 0.00 0.00 58.65 58.04 1sq3 h GLN 50 Cb 0.82 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 1sq3 h GLN 50 CO 0.04 1.31 -0.02 1.49 -0.67 0.00 0.00 178.83 180.98 1sq3 h GLU 51 N 0.11 0.01 -0.38 1.46 4.81 -0.71 -2.58 114.58 117.29 1sq3 h GLU 51 Ca -0.23 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1sq3 h GLU 51 Cb 2.08 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.44 1sq3 h GLU 51 CO 0.23 0.00 0.01 0.93 -0.73 0.00 0.00 179.01 179.45 1sq3 h GLU 52 N 0.01 0.60 -1.36 1.92 4.39 -0.91 0.38 114.58 119.61 1sq3 h GLU 52 Ca 0.06 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1sq3 h GLU 52 Cb 0.08 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1sq3 h GLU 52 CO -0.12 0.62 0.00 1.28 -1.16 0.00 0.00 179.01 179.63 1sq3 n LEU 53 N -4.26 0.15 0.00 1.33 4.32 -0.93 -1.35 117.00 116.26 1sq3 n LEU 53 Ca 0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1sq3 n LEU 53 Cb 0.26 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1sq3 n LEU 53 CO 0.40 0.03 0.00 1.41 -1.22 0.00 0.00 177.39 178.00 1sq3 n HIS 55 N 0.81 0.00 0.37 -1.77 8.25 0.12 -4.70 115.22 118.30 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 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 1.58 -0.61 -1.41 0.00 -0.46 -4.77 120.51 114.85 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 0.37 -0.66 0.00 0.00 4.81 -1.26 -4.68 118.16 116.74 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 0.10 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.11 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 -0.58 0.00 0.09 5.64 7.35 -1.26 -2.10 117.46 126.59 1sq3 n PHE 60 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 1sq3 n PHE 60 Cb 0.03 0.00 0.40 0.00 0.35 0.00 0.00 39.48 40.25 1sq3 n PHE 60 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1sq3 h ASP 61 N 0.00 0.30 -0.20 -2.13 3.32 -1.99 -2.97 116.42 112.75 1sq3 h ASP 61 Ca 0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1sq3 h ASP 61 Cb 0.00 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1sq3 h ASP 61 CO 0.00 0.38 -0.20 0.15 -1.72 0.00 0.00 179.24 177.85 1sq3 h PHE 62 N 0.31 0.59 -0.68 4.55 3.57 -1.82 -1.94 116.94 121.53 1sq3 h PHE 62 Ca 0.07 -0.18 0.10 0.00 3.53 0.00 0.00 57.97 61.49 1sq3 h PHE 62 Cb 0.27 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 1sq3 h PHE 62 CO 0.01 0.84 0.31 0.28 -2.23 0.00 0.00 178.31 177.52 1sq3 h VAL 63 N 0.17 0.82 0.00 1.41 2.07 -1.82 -0.29 116.25 118.60 1sq3 h VAL 63 Ca 0.03 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 1sq3 h VAL 63 Cb 0.74 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1sq3 h VAL 63 CO 0.05 0.10 -0.45 0.77 0.02 0.00 0.00 177.57 178.06 1sq3 h SER 64 N 0.53 0.00 0.38 0.57 4.64 -1.52 0.71 113.55 118.86 1sq3 h SER 64 Ca 0.34 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1sq3 h SER 64 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1sq3 h SER 64 CO -0.29 0.45 -0.70 -0.08 -0.87 0.00 0.00 176.83 175.34 1sq3 h GLU 65 N 0.00 0.28 0.00 4.77 4.57 -0.43 -1.27 114.58 122.50 1sq3 h GLU 65 Ca -0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1sq3 h GLU 65 Cb 1.10 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1sq3 h GLU 65 CO 0.06 0.87 0.00 0.54 -1.18 0.00 0.00 179.01 179.30 1sq3 n ARG 66 N -3.81 0.69 -0.95 1.92 5.12 -0.23 -4.84 116.66 114.55 1sq3 n ARG 66 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1sq3 n ARG 66 Cb 0.69 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 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 0.27 0.82 3.96 -0.13 0.00 -0.48 -4.53 105.19 105.11 1sq3 n GLY 67 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.97 1.77 -0.09 -0.02 0.00 0.23 -4.98 107.32 102.27 1sq3 s GLY 68 Ca 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.28 1sq3 s GLY 68 CO 0.00 -0.75 -0.10 -1.60 0.00 0.00 0.00 173.10 170.65 1sq3 s ARG 69 N -5.59 1.64 0.03 2.90 6.06 -1.26 -3.98 118.95 118.75 1sq3 s ARG 69 Ca 0.71 -0.34 -0.30 0.00 -2.50 0.00 0.00 55.73 53.30 1sq3 s ARG 69 Cb -0.04 -1.53 -0.05 0.00 0.06 0.00 0.00 34.95 33.39 1sq3 s ARG 69 CO 0.50 -0.13 1.20 0.08 -2.50 0.00 0.00 175.30 174.44 1sq3 s VAL 70 N 1.22 4.10 -0.11 7.11 1.01 -1.26 -4.96 120.40 127.51 1sq3 s VAL 70 Ca -0.04 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 1sq3 s VAL 70 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1sq3 s VAL 70 CO -0.03 0.09 -0.05 -0.75 0.00 0.00 0.00 175.10 174.36 1sq3 s LYS 71 N 1.33 3.18 -0.08 2.72 2.47 -1.26 -5.12 119.74 122.98 1sq3 s LYS 71 Ca 0.58 -0.52 -0.08 0.00 -1.56 0.00 0.00 55.97 54.39 1sq3 s LYS 71 Cb -0.28 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.29 1sq3 s LYS 71 CO 0.28 0.48 0.20 -0.51 0.16 0.00 0.00 175.35 175.95 1sq3 s LEU 72 N -0.30 4.40 0.26 5.43 1.43 -1.26 -4.91 118.68 123.74 1sq3 s LEU 72 Ca 0.05 0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.79 1sq3 s LEU 72 Cb -0.13 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1sq3 s LEU 72 CO 0.02 0.37 -0.16 -0.31 0.23 0.00 0.00 176.35 176.51 1sq3 s TYR 73 N -1.08 2.10 0.64 0.29 2.02 -1.26 -5.12 117.35 114.94 1sq3 s TYR 73 Ca 0.18 -0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 56.26 1sq3 s TYR 73 Cb -0.13 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 1sq3 s TYR 73 CO 0.08 0.56 1.16 0.00 -1.57 0.00 0.00 175.55 175.78 1sq3 s ALA 74 N -2.70 2.44 -0.30 3.71 0.00 -1.26 -4.98 121.76 118.67 1sq3 s ALA 74 Ca 0.28 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1sq3 s ALA 74 Cb -0.02 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1sq3 s ALA 74 CO 0.12 -1.30 0.18 0.08 0.00 0.00 0.00 175.76 174.84 1sq3 s VAL 75 N -1.96 4.99 0.58 0.00 1.01 -1.26 -5.05 120.40 118.71 1sq3 s VAL 75 Ca 0.73 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 1sq3 s VAL 75 Cb -0.26 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1sq3 s VAL 75 CO 0.38 0.15 1.35 -1.61 0.00 0.00 0.00 175.10 175.36 1sq3 s GLU 76 N 1.69 2.96 0.00 2.72 0.41 -1.26 -4.91 118.70 120.31 1sq3 s GLU 76 Ca 0.06 2.20 -0.30 0.00 -0.41 0.00 0.00 54.97 56.53 1sq3 s GLU 76 Cb -0.16 -2.14 -0.07 0.00 -1.78 0.00 0.00 34.13 29.98 1sq3 s GLU 76 CO 0.09 -1.32 1.72 -2.00 -0.49 0.00 0.00 175.26 173.25 1sq3 s GLU 77 N -3.04 4.18 0.90 1.61 2.12 -1.26 -5.00 118.70 118.20 1sq3 s GLU 77 Ca 0.75 2.32 -0.12 0.00 0.36 0.00 0.00 54.97 58.28 1sq3 s GLU 77 Cb -0.40 -3.90 0.13 0.00 0.26 0.00 0.00 34.13 30.22 1sq3 s GLU 77 CO 0.46 -0.83 1.11 -1.25 -0.54 0.00 0.00 175.26 174.21 1sq3 s PRO 78 N 3.68 1.24 1.44 4.30 0.04 -1.26 -5.07 135.00 139.36 1sq3 s PRO 78 Ca 0.77 0.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.07 1sq3 s PRO 78 Cb -0.37 -1.83 0.37 0.00 0.04 0.00 0.00 34.50 32.71 1sq3 s PRO 78 CO 0.33 -2.17 0.92 -2.14 0.04 0.00 0.00 177.00 173.97 1sq3 s PRO 79 N -5.14 -3.05 0.00 0.56 0.02 -1.26 -5.04 135.00 121.10 1sq3 s PRO 79 Ca 0.63 0.16 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1sq3 s PRO 79 Cb -0.16 -1.36 0.00 0.00 0.02 0.00 0.00 34.50 33.00 1sq3 s PRO 79 CO 0.55 -4.96 0.00 -1.13 -0.33 0.00 0.00 177.00 171.13 1sq3 n SER 80 N -5.69 0.00 -4.35 2.53 3.41 -1.26 -4.85 113.62 103.40 1sq3 n SER 80 Ca 0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.55 1sq3 n SER 80 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.36 0.08 4.33 0.41 -1.26 -4.63 118.70 118.99 1sq3 s GLU 81 Ca 0.00 -1.60 -0.07 0.00 -0.41 0.00 0.00 54.97 52.89 1sq3 s GLU 81 Cb 0.00 -1.17 -0.01 0.00 -1.78 0.00 0.00 34.13 31.17 1sq3 s GLU 81 CO 0.00 0.20 0.13 -1.58 -0.49 0.00 0.00 175.26 173.51 1sq3 s TRP 82 N -2.94 0.25 -0.35 1.61 0.51 -1.26 -5.05 118.94 111.72 1sq3 s TRP 82 Ca 0.23 -0.71 0.26 0.00 -2.12 0.00 0.00 56.10 53.75 1sq3 s TRP 82 Cb -0.01 -0.15 0.67 0.00 -0.81 0.00 0.00 33.47 33.17 1sq3 s TRP 82 CO 0.07 -0.50 1.72 -0.44 -0.51 0.00 0.00 176.95 177.30 1sq3 h ASP 83 N 2.88 0.00 -5.48 2.95 3.32 -2.00 -3.47 116.42 114.61 1sq3 h ASP 83 Ca -0.34 0.00 0.26 0.00 0.02 0.00 0.00 57.03 56.97 1sq3 h ASP 83 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 1sq3 h ASP 83 CO 0.59 0.00 0.68 -0.94 -1.72 0.00 0.00 179.24 177.85 1sq3 s SER 84 N -5.79 -0.12 0.28 6.45 1.04 -1.26 -4.99 113.70 109.31 1sq3 s SER 84 Ca 0.06 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1sq3 s SER 84 Cb 0.07 0.30 0.61 0.00 0.10 0.00 0.00 66.02 67.10 1sq3 s SER 84 CO 0.62 -0.55 1.78 -0.65 0.98 0.00 0.00 173.24 175.42 1sq3 h PRO 85 N 2.00 0.74 -0.96 4.02 0.11 -2.00 -1.11 132.00 134.79 1sq3 h PRO 85 Ca -0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1sq3 h PRO 85 Cb 1.21 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1sq3 h PRO 85 CO 0.27 0.49 0.60 1.25 -0.21 0.00 0.00 178.00 180.40 1sq3 h LEU 86 N 0.76 1.14 -0.45 2.35 5.85 -1.96 -2.32 115.31 120.68 1sq3 h LEU 86 Ca 0.51 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 59.00 1sq3 h LEU 86 Cb 0.71 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1sq3 h LEU 86 CO -0.35 0.86 -0.69 0.00 -0.34 0.00 0.00 178.44 177.92 1sq3 h ALA 87 N 1.33 0.64 -0.60 1.25 0.00 -1.62 -0.17 119.26 120.09 1sq3 h ALA 87 Ca 0.35 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1sq3 h ALA 87 Cb -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sq3 h ALA 87 CO -0.07 0.75 0.02 0.00 0.00 0.00 0.00 179.25 179.95 1sq3 h ALA 88 N 0.98 0.80 0.00 0.00 0.00 -1.13 0.22 119.26 120.13 1sq3 h ALA 88 Ca -0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1sq3 h ALA 88 Cb 1.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1sq3 h ALA 88 CO 0.12 0.63 -0.45 0.74 0.00 0.00 0.00 179.25 180.29 1sq3 h PHE 89 N 0.94 0.00 -0.50 0.00 0.04 -1.28 0.18 116.94 116.33 1sq3 h PHE 89 Ca 0.17 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.85 1sq3 h PHE 89 Cb 0.53 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 1sq3 h PHE 89 CO 0.04 0.45 -0.05 0.93 -0.60 0.00 0.00 178.31 179.08 1sq3 h GLU 90 N 0.00 0.87 -0.64 1.51 5.08 -0.61 0.27 114.58 121.05 1sq3 h GLU 90 Ca -0.00 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1sq3 h GLU 90 Cb 1.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1sq3 h GLU 90 CO 0.06 0.90 0.16 1.25 -1.00 0.00 0.00 179.01 180.38 1sq3 h HIS 91 N 0.79 1.07 0.53 4.33 2.76 0.30 -1.61 115.15 123.34 1sq3 h HIS 91 Ca 0.14 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1sq3 h HIS 91 Cb 0.54 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1sq3 h HIS 91 CO 0.03 0.89 -0.33 0.28 -1.30 0.00 0.00 177.93 177.50 1sq3 h VAL 92 N 0.94 0.32 -0.66 5.26 2.07 -0.14 0.17 116.25 124.21 1sq3 h VAL 92 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1sq3 h VAL 92 Cb 0.35 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 1sq3 h VAL 92 CO 0.00 0.00 0.22 0.22 0.02 0.00 0.00 177.57 178.03 1sq3 h TYR 93 N -0.82 0.37 -0.07 1.57 3.20 -0.80 0.11 116.97 120.53 1sq3 h TYR 93 Ca -0.06 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 1sq3 h TYR 93 Cb 0.67 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1sq3 h TYR 93 CO -0.10 0.04 -0.61 0.93 -1.64 0.00 0.00 178.16 176.79 1sq3 h GLU 94 N 0.37 0.23 -0.44 1.82 4.39 -1.02 -0.46 114.58 119.48 1sq3 h GLU 94 Ca 0.35 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 1sq3 h GLU 94 Cb 0.51 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1sq3 h GLU 94 CO -0.38 0.76 0.00 1.25 -1.16 0.00 0.00 179.01 179.49 1sq3 h HIS 95 N 0.17 0.84 -0.21 4.33 2.76 0.31 -2.10 115.15 121.25 1sq3 h HIS 95 Ca -0.01 -0.14 -0.15 0.00 -2.20 0.00 0.00 60.37 57.87 1sq3 h HIS 95 Cb 1.11 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 1sq3 h HIS 95 CO 0.02 0.82 -0.50 0.93 -1.30 0.00 0.00 177.93 177.90 1sq3 h GLU 96 N 0.61 0.57 -0.30 5.26 4.39 -0.47 -0.44 114.58 124.21 1sq3 h GLU 96 Ca 0.12 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.52 1sq3 h GLU 96 Cb 0.49 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1sq3 h GLU 96 CO 0.02 0.94 0.20 0.28 -1.16 0.00 0.00 179.01 179.30 1sq3 h VAL 97 N 0.45 1.00 0.03 3.13 2.07 -0.98 0.10 116.25 122.05 1sq3 h VAL 97 Ca 0.02 -0.10 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 1sq3 h VAL 97 Cb 1.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1sq3 h VAL 97 CO 0.10 0.05 -1.00 0.78 0.02 0.00 0.00 177.57 177.52 1sq3 h ASN 98 N 0.29 0.52 -0.37 0.57 4.21 -0.71 -2.27 115.58 117.81 1sq3 h ASN 98 Ca 0.12 -0.44 -0.06 0.00 1.21 0.00 0.00 56.30 57.13 1sq3 h ASN 98 Cb 0.14 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 1sq3 h ASN 98 CO -0.03 1.26 0.02 0.58 -1.29 0.00 0.00 177.43 177.97 1sq3 h VAL 99 N 0.20 1.23 0.61 2.81 2.07 0.16 0.23 116.25 123.56 1sq3 h VAL 99 Ca -0.09 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1sq3 h VAL 99 Cb 1.65 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1sq3 h VAL 99 CO 0.17 0.33 -0.29 0.74 0.02 0.00 0.00 177.57 178.54 1sq3 h THR 100 N 0.70 0.39 -0.88 2.57 2.02 -0.90 0.73 112.91 117.54 1sq3 h THR 100 Ca 0.14 -0.05 0.22 0.00 0.77 0.00 0.00 66.41 67.49 1sq3 h THR 100 Cb 0.40 0.41 -0.13 0.00 -1.74 0.00 0.00 68.15 67.09 1sq3 h THR 100 CO 0.01 0.01 0.36 0.50 0.37 0.00 0.00 175.52 176.77 1sq3 h LYS 101 N -0.85 0.36 -0.55 6.66 3.64 -1.04 0.32 116.57 125.11 1sq3 h LYS 101 Ca -0.08 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1sq3 h LYS 101 Cb 0.64 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1sq3 h LYS 101 CO 0.14 0.24 0.20 -0.09 -2.27 0.00 0.00 179.45 177.66 1sq3 h ARG 102 N 0.37 0.84 -0.42 1.90 1.12 0.11 -2.11 114.38 116.19 1sq3 h ARG 102 Ca 0.55 -0.16 -0.09 0.00 -1.11 0.00 0.00 59.98 59.17 1sq3 h ARG 102 Cb 1.05 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.87 1sq3 h ARG 102 CO -0.54 0.74 -0.08 0.82 -3.11 0.00 0.00 179.97 177.80 1sq3 h ILE 103 N 0.75 1.27 -0.76 1.20 5.03 0.19 -2.42 117.51 122.77 1sq3 h ILE 103 Ca 0.18 -1.16 0.09 0.00 -0.12 0.00 0.00 64.86 63.85 1sq3 h ILE 103 Cb 0.23 1.16 -0.05 0.00 -3.03 0.00 0.00 36.82 35.14 1sq3 h ILE 103 CO -0.01 0.39 0.50 0.45 -0.68 0.00 0.00 178.15 178.80 1sq3 h HIS 104 N 0.62 0.73 -0.61 1.37 3.86 -0.62 -1.26 115.15 119.24 1sq3 h HIS 104 Ca 0.11 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 1sq3 h HIS 104 Cb 0.60 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1sq3 h HIS 104 CO 0.05 0.35 0.01 0.93 0.86 0.00 0.00 177.93 180.13 1sq3 h GLU 105 N 0.69 1.06 -0.79 2.45 5.08 -0.90 -2.07 114.58 120.10 1sq3 h GLU 105 Ca 0.35 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1sq3 h GLU 105 Cb 0.44 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1sq3 h GLU 105 CO -0.13 1.03 0.32 -0.07 -1.00 0.00 0.00 179.01 179.16 1sq3 h LEU 106 N 0.97 1.08 -0.34 1.33 3.38 -0.93 -2.55 115.31 118.25 1sq3 h LEU 106 Ca 0.18 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1sq3 h LEU 106 Cb 0.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1sq3 h LEU 106 CO 0.03 0.96 0.14 0.58 0.09 0.00 0.00 178.44 180.23 1sq3 h VAL 107 N 1.14 0.93 0.00 1.22 2.07 -0.97 -1.58 116.25 119.06 1sq3 h VAL 107 Ca 0.26 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1sq3 h VAL 107 Cb 0.21 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1sq3 h VAL 107 CO -0.02 0.05 0.00 -0.62 0.02 0.00 0.00 177.57 177.00 1sq3 n GLU 108 N -4.99 0.00 -0.52 1.57 1.02 -0.81 -4.66 120.64 112.25 1sq3 n GLU 108 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1sq3 n GLU 108 Cb 0.11 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1sq3 n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sq3 n ALA 110 N 0.86 -0.08 0.00 0.62 0.00 -0.60 -4.58 120.51 116.74 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 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.44 0.00 -0.33 0.00 -0.06 -1.26 -1.06 117.38 114.23 1sq3 n GLN 112 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.11 1sq3 n GLN 112 Cb 0.04 0.00 0.30 0.00 -4.06 0.00 0.00 30.24 26.52 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 2.60 -2.17 3.69 1.02 -1.26 -4.93 120.64 119.60 1sq3 n GLU 113 Ca 0.00 -2.48 -0.13 0.00 -0.02 0.00 0.00 57.16 54.54 1sq3 n GLU 113 Cb 0.00 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 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 1.54 -1.96 -2.56 3.49 5.02 -0.88 -4.86 118.16 117.94 1sq3 n LYS 114 Ca 0.23 0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 56.74 1sq3 n LYS 114 Cb 0.59 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 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 -1.47 4.91 -0.17 4.39 -0.08 -0.22 -4.80 116.55 119.11 1sq3 n ASP 115 Ca -0.15 -2.95 -0.04 0.00 -1.51 0.00 0.00 54.79 50.14 1sq3 n ASP 115 Cb 0.57 -1.64 0.14 0.00 2.34 0.00 0.00 41.12 42.53 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 6.99 0.96 -0.73 -0.67 0.04 -1.89 -0.79 116.94 120.85 1sq3 h PHE 116 Ca 0.41 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 61.15 1sq3 h PHE 116 Cb 0.81 -0.28 -0.06 0.00 2.20 0.00 0.00 35.95 38.62 1sq3 h PHE 116 CO 1.30 0.80 0.42 0.00 -0.60 0.00 0.00 178.31 180.23 1sq3 h ALA 117 N 1.26 0.99 -0.09 2.45 0.00 -1.97 -0.52 119.26 121.39 1sq3 h ALA 117 Ca 0.19 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1sq3 h ALA 117 Cb 0.33 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sq3 h ALA 117 CO 0.00 0.10 -0.54 1.15 0.00 0.00 0.00 179.25 179.96 1sq3 h THR 118 N 0.76 1.37 -0.82 0.00 2.02 -1.70 -2.13 112.91 112.41 1sq3 h THR 118 Ca 0.33 -1.88 0.17 0.00 0.77 0.00 0.00 66.41 65.80 1sq3 h THR 118 Cb 0.21 2.25 -0.11 0.00 -1.74 0.00 0.00 68.15 68.76 1sq3 h THR 118 CO -0.19 0.56 0.34 0.22 0.37 0.00 0.00 175.52 176.82 1sq3 h TYR 119 N 0.10 0.57 -0.03 3.16 3.20 -1.05 -1.01 116.97 121.91 1sq3 h TYR 119 Ca -0.04 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1sq3 h TYR 119 Cb 1.19 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1sq3 h TYR 119 CO 0.12 0.02 -0.04 -0.97 -1.64 0.00 0.00 178.16 175.65 1sq3 h ASN 120 N 0.43 0.08 -0.81 -2.11 -0.73 -0.94 -2.61 115.58 108.90 1sq3 h ASN 120 Ca 0.47 -0.54 0.17 0.00 1.87 0.00 0.00 56.30 58.27 1sq3 h ASN 120 Cb 0.79 -0.02 -0.06 0.00 0.27 0.00 0.00 38.32 39.30 1sq3 h ASN 120 CO -0.46 0.61 0.54 0.15 -0.37 0.00 0.00 177.43 177.90 1sq3 h PHE 121 N -0.44 0.49 0.00 0.67 3.57 -1.14 -1.29 116.94 118.81 1sq3 h PHE 121 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sq3 h PHE 121 Cb 0.59 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1sq3 h PHE 121 CO 0.11 0.17 0.00 1.28 -2.23 0.00 0.00 178.31 177.64 1sq3 n LEU 122 N -4.48 0.62 0.25 0.59 4.77 -0.41 -3.19 117.00 115.15 1sq3 n LEU 122 Ca 0.16 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.86 1sq3 n LEU 122 Cb 0.60 -0.46 0.63 0.00 -2.33 0.00 0.00 43.42 41.86 1sq3 n LEU 122 CO 0.32 -0.34 0.91 1.56 -1.33 0.00 0.00 177.39 178.52 1sq3 h GLN 123 N 0.00 0.00 -0.67 3.23 1.08 -1.10 0.12 115.11 117.77 1sq3 h GLN 123 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1sq3 h GLN 123 Cb 0.52 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1sq3 h GLN 123 CO 0.00 0.16 0.24 2.35 -0.95 0.00 0.00 178.83 180.64 1sq3 h TRP 124 N 0.00 1.05 -0.05 2.96 7.01 -1.72 -1.79 115.95 123.40 1sq3 h TRP 124 Ca -0.00 -0.09 -0.16 0.00 2.11 0.00 0.00 58.89 60.75 1sq3 h TRP 124 Cb 0.47 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1sq3 h TRP 124 CO 0.00 0.83 -0.68 1.88 -2.79 0.00 0.00 178.44 177.68 1sq3 h TYR 125 N 0.96 0.31 -0.53 2.65 -1.99 -0.99 0.03 116.97 117.42 1sq3 h TYR 125 Ca 0.22 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1sq3 h TYR 125 Cb 0.25 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 1sq3 h TYR 125 CO 0.02 0.84 0.35 0.28 -0.00 0.00 0.00 178.16 179.64 1sq3 h VAL 126 N 0.17 1.14 -0.24 -2.88 2.07 -1.04 -1.27 116.25 114.20 1sq3 h VAL 126 Ca -0.02 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.06 1sq3 h VAL 126 Cb 1.21 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1sq3 h VAL 126 CO 0.10 0.14 -0.56 0.00 0.02 0.00 0.00 177.57 177.27 1sq3 h ALA 127 N 1.19 0.54 -0.56 1.67 0.00 -1.03 -3.02 119.26 118.05 1sq3 h ALA 127 Ca 0.19 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1sq3 h ALA 127 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1sq3 h ALA 127 CO -0.04 0.69 0.20 1.49 0.00 0.00 0.00 179.25 181.59 1sq3 h GLU 128 N 0.58 0.81 -0.11 0.00 4.57 -0.61 -2.79 114.58 117.03 1sq3 h GLU 128 Ca 0.01 -0.13 -0.10 0.00 -1.18 0.00 0.00 59.36 57.96 1sq3 h GLU 128 Cb 1.15 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1sq3 h GLU 128 CO 0.12 0.68 -0.38 1.96 -1.18 0.00 0.00 179.01 180.21 1sq3 h GLN 129 N 0.80 0.24 -0.32 1.92 1.08 -1.12 -0.43 115.11 117.28 1sq3 h GLN 129 Ca 0.19 -0.11 0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1sq3 h GLN 129 Cb 0.19 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 1sq3 h GLN 129 CO -0.01 0.59 -0.06 0.28 -0.95 0.00 0.00 178.83 178.67 1sq3 h VAL 130 N 0.20 0.70 -0.17 -0.54 2.07 -1.47 0.51 116.25 117.56 1sq3 h VAL 130 Ca 0.02 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1sq3 h VAL 130 Cb 0.77 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1sq3 h VAL 130 CO 0.06 0.00 0.05 -0.08 0.02 0.00 0.00 177.57 177.62 1sq3 h GLU 131 N 0.02 0.27 -0.25 1.57 4.22 -1.39 -2.38 114.58 116.64 1sq3 h GLU 131 Ca 0.16 -0.06 0.06 0.00 0.08 0.00 0.00 59.36 59.59 1sq3 h GLU 131 Cb 0.23 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1sq3 h GLU 131 CO -0.32 0.40 -0.11 0.93 -2.18 0.00 0.00 179.01 177.73 1sq3 h GLU 132 N 0.09 -0.07 -0.86 1.92 4.39 -0.64 -0.10 114.58 119.31 1sq3 h GLU 132 Ca 0.05 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1sq3 h GLU 132 Cb 0.25 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1sq3 h GLU 132 CO -0.00 -0.05 0.56 0.93 -1.16 0.00 0.00 179.01 179.29 1sq3 h GLU 133 N -0.07 1.07 -0.10 2.33 5.08 -0.87 -2.76 114.58 119.26 1sq3 h GLU 133 Ca 0.13 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1sq3 h GLU 133 Cb 0.27 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1sq3 h GLU 133 CO -0.30 0.71 -0.77 0.00 -1.00 0.00 0.00 179.01 177.64 1sq3 h ALA 134 N 1.35 0.46 -0.54 3.43 0.00 -0.71 0.37 119.26 123.62 1sq3 h ALA 134 Ca 0.34 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1sq3 h ALA 134 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1sq3 h ALA 134 CO -0.11 0.74 -0.07 0.77 0.00 0.00 0.00 179.25 180.58 1sq3 h SER 135 N 0.37 0.98 -0.19 0.00 0.02 -1.01 0.45 113.55 114.17 1sq3 h SER 135 Ca -0.05 -0.30 -0.21 0.00 -0.84 0.00 0.00 61.79 60.40 1sq3 h SER 135 Cb 1.38 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.66 1sq3 h SER 135 CO 0.14 1.07 -0.69 0.00 -1.14 0.00 0.00 176.83 176.21 1sq3 h ALA 136 N 1.02 0.34 -0.22 3.77 0.00 -1.31 -3.06 119.26 119.80 1sq3 h ALA 136 Ca 0.15 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1sq3 h ALA 136 Cb 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1sq3 h ALA 136 CO 0.04 0.65 -0.29 1.25 0.00 0.00 0.00 179.25 180.90 1sq3 h LEU 137 N 0.54 0.43 -1.32 0.00 5.85 -0.80 -1.35 115.31 118.65 1sq3 h LEU 137 Ca -0.03 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1sq3 h LEU 137 Cb 1.32 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1sq3 h LEU 137 CO 0.15 0.70 0.44 0.44 -0.34 0.00 0.00 178.44 179.83 1sq3 h ASP 138 N 0.37 0.78 0.90 1.25 5.19 -0.87 -0.68 116.42 123.37 1sq3 h ASP 138 Ca 0.05 -0.02 -0.23 0.00 -0.62 0.00 0.00 57.03 56.21 1sq3 h ASP 138 Cb 0.69 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1sq3 h ASP 138 CO 0.05 0.57 -1.13 0.40 -3.12 0.00 0.00 179.24 176.02 1sq3 h ILE 139 N 0.92 1.57 -0.58 0.35 2.04 -1.35 -1.52 117.51 118.94 1sq3 h ILE 139 Ca 0.25 -3.29 -0.06 0.00 1.00 0.00 0.00 64.86 62.76 1sq3 h ILE 139 Cb -0.10 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1sq3 h ILE 139 CO -0.05 0.90 0.14 0.58 0.00 0.00 0.00 178.15 179.72 1sq3 h VAL 140 N 0.00 1.25 -0.08 1.67 2.07 -0.83 -1.07 116.25 119.26 1sq3 h VAL 140 Ca -0.06 -0.90 -0.17 0.00 0.82 0.00 0.00 66.70 66.39 1sq3 h VAL 140 Cb 1.82 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1sq3 h VAL 140 CO 0.13 0.33 -0.69 -0.33 0.02 0.00 0.00 177.57 177.03 1sq3 h GLU 141 N 0.83 0.37 -0.44 1.57 5.08 -1.09 -0.99 114.58 119.90 1sq3 h GLU 141 Ca 0.18 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1sq3 h GLU 141 Cb 0.35 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1sq3 h GLU 141 CO 0.00 0.92 -0.01 0.87 -1.00 0.00 0.00 179.01 179.80 1sq3 h LYS 142 N 0.26 0.73 0.00 2.33 1.79 -1.03 -1.65 116.57 119.00 1sq3 h LYS 142 Ca -0.02 -0.19 -0.10 0.00 -2.18 0.00 0.00 60.65 58.16 1sq3 h LYS 142 Cb 1.25 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 1sq3 h LYS 142 CO 0.12 0.75 -0.49 -0.07 -1.08 0.00 0.00 179.45 178.67 1sq3 h LEU 143 N 0.68 0.00 -0.01 2.94 3.38 -0.39 -0.40 115.31 121.51 1sq3 h LEU 143 Ca 0.14 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 1sq3 h LEU 143 Cb 0.43 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 1sq3 h LEU 143 CO 0.02 0.49 -1.08 0.03 0.09 0.00 0.00 178.44 178.00 1sq3 h ARG 144 N 0.00 0.62 -0.62 1.13 3.08 -0.88 -2.20 114.38 115.50 1sq3 h ARG 144 Ca -0.00 -0.70 0.10 0.00 0.07 0.00 0.00 59.98 59.45 1sq3 h ARG 144 Cb 1.09 0.21 -0.08 0.00 0.08 0.00 0.00 29.97 31.27 1sq3 h ARG 144 CO 0.06 1.29 0.20 1.25 -1.07 0.00 0.00 179.97 181.71 1sq3 h LEU 145 N 0.33 0.16 -0.33 3.04 6.46 -1.04 -2.92 115.31 121.01 1sq3 h LEU 145 Ca -0.13 0.09 -0.19 0.00 -0.12 0.00 0.00 57.88 57.52 1sq3 h LEU 145 Cb 1.73 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 1sq3 h LEU 145 CO 0.20 0.09 -0.71 0.40 -0.62 0.00 0.00 178.44 177.81 1sq3 h ILE 146 N 0.36 1.33 0.00 4.05 2.04 -1.05 -3.48 117.51 120.76 1sq3 h ILE 146 Ca 0.32 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1sq3 h ILE 146 Cb 0.43 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1sq3 h ILE 146 CO -0.35 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.04 1sq3 n GLY 147 N 0.55 3.47 0.02 5.37 0.00 -0.83 -2.75 105.19 111.02 1sq3 n GLY 147 Ca -0.05 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 14.00 0.04 -1.95 1.61 -0.58 -1.26 -4.87 120.64 127.63 1sq3 n GLU 148 Ca 0.00 0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.34 1sq3 n GLU 148 Cb 0.00 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 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 -3.24 5.89 0.09 1.62 -1.08 -1.11 -4.88 116.67 113.95 1sq3 s ASP 149 Ca 0.13 1.42 -0.12 0.00 -0.52 0.00 0.00 52.55 53.46 1sq3 s ASP 149 Cb 0.18 -2.52 -0.21 0.00 -1.46 0.00 0.00 42.92 38.91 1sq3 s ASP 149 CO 0.57 -1.69 1.21 0.11 0.52 0.00 0.00 175.17 175.89 1sq3 h LYS 150 N 12.93 0.65 -0.30 4.34 1.57 -1.91 -2.00 116.57 131.86 1sq3 h LYS 150 Ca -0.35 -0.70 -0.01 0.00 -1.87 0.00 0.00 60.65 57.73 1sq3 h LYS 150 Cb 1.18 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1sq3 h LYS 150 CO 1.02 1.29 0.16 0.07 -0.57 0.00 0.00 179.45 181.42 1sq3 h ARG 151 N 0.36 0.40 -0.10 3.15 -0.00 -2.00 -2.24 114.38 113.96 1sq3 h ARG 151 Ca -0.12 -0.03 -0.24 0.00 -0.00 0.00 0.00 59.98 59.59 1sq3 h ARG 151 Cb 1.68 -0.08 0.01 0.00 -0.00 0.00 0.00 29.97 31.58 1sq3 h ARG 151 CO 0.20 0.30 -0.87 0.00 -0.00 0.00 0.00 179.97 179.60 1sq3 h ALA 152 N 1.77 0.27 -1.00 0.08 0.00 -1.92 -2.41 119.26 116.04 1sq3 h ALA 152 Ca 0.11 -0.64 0.21 0.00 0.00 0.00 0.00 54.91 54.59 1sq3 h ALA 152 Cb 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 1sq3 h ALA 152 CO -0.02 0.69 0.61 1.25 0.00 0.00 0.00 179.25 181.79 1sq3 h LEU 153 N 0.47 0.70 0.00 0.00 5.85 -1.05 -2.38 115.31 118.90 1sq3 h LEU 153 Ca -0.08 0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.54 1sq3 h LEU 153 Cb 1.50 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 1sq3 h LEU 153 CO 0.17 0.20 -1.04 -0.07 -0.34 0.00 0.00 178.44 177.37 1sq3 h LEU 154 N 0.65 0.00 -0.42 2.25 3.38 -1.25 -1.70 115.31 118.22 1sq3 h LEU 154 Ca 0.59 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.62 1sq3 h LEU 154 Cb 1.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1sq3 h LEU 154 CO -0.38 0.95 0.14 0.15 0.09 0.00 0.00 178.44 179.39 1sq3 h PHE 155 N 0.00 0.25 -0.76 1.13 3.04 -1.12 -2.08 116.94 117.40 1sq3 h PHE 155 Ca -0.04 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 1sq3 h PHE 155 Cb 1.76 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 40.18 1sq3 h PHE 155 CO 0.00 0.09 0.30 1.25 -2.02 0.00 0.00 178.31 177.93 1sq3 h LEU 156 N 0.30 1.05 -0.73 0.59 5.85 -1.22 -2.08 115.31 119.08 1sq3 h LEU 156 Ca 0.20 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1sq3 h LEU 156 Cb 0.19 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1sq3 h LEU 156 CO -0.21 0.94 0.44 -0.78 -0.34 0.00 0.00 178.44 178.49 1sq3 h ASP 157 N 1.11 0.68 -0.49 1.25 3.58 -1.17 -0.41 116.42 120.97 1sq3 h ASP 157 Ca 0.25 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 1sq3 h ASP 157 Cb 0.22 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1sq3 h ASP 157 CO -0.02 0.45 0.23 0.50 -2.88 0.00 0.00 179.24 177.53 1sq3 h LYS 158 N 0.82 0.71 -0.49 0.28 3.64 -0.96 -0.01 116.57 120.56 1sq3 h LYS 158 Ca 0.31 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1sq3 h LYS 158 Cb 0.12 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1sq3 h LYS 158 CO -0.15 0.60 0.31 0.93 -2.27 0.00 0.00 179.45 178.87 1sq3 h GLU 159 N 0.65 0.60 0.00 1.90 4.39 -0.71 -1.77 114.58 119.64 1sq3 h GLU 159 Ca 0.17 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1sq3 h GLU 159 Cb 0.13 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1sq3 h GLU 159 CO -0.02 0.40 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.84 1sq3 h LEU 160 N 0.62 0.00 -1.17 1.33 4.07 -0.71 -0.59 115.31 118.86 1sq3 h LEU 160 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1sq3 h LEU 160 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1sq3 h LEU 160 CO -0.07 0.31 0.00 -1.54 -1.08 0.00 0.00 178.44 176.06 1sq3 n SER 161 N -3.68 0.64 0.05 -0.43 3.41 -0.05 -2.20 113.62 111.36 1sq3 n SER 161 Ca -0.01 0.73 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1sq3 n SER 161 Cb 0.42 -0.84 0.47 0.00 -0.26 0.00 0.00 64.21 64.00 1sq3 n SER 161 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sq3 n LEU 162 N -2.28 0.45 -4.77 1.04 7.99 -0.23 -4.92 117.00 114.28 1sq3 n LEU 162 Ca -0.00 0.49 -0.35 0.00 -0.01 0.00 0.00 56.01 56.14 1sq3 n LEU 162 Cb 0.12 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1sq3 n LEU 162 CO 0.14 -0.08 0.79 -0.60 -1.51 0.00 0.00 177.39 176.13 1sq3 s ARG 163 N -3.06 3.40 0.00 3.23 3.52 -0.93 -5.16 118.95 119.94 1sq3 s ARG 163 Ca 0.12 1.63 0.00 0.00 -0.13 0.00 0.00 55.73 57.35 1sq3 s ARG 163 Cb 0.15 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.50 1sq3 s ARG 163 CO 0.58 -0.82 0.14 0.00 -0.81 0.00 0.00 175.30 174.40