#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 0.30 -2.25 2.46 3.06 -1.26 -4.90 119.36 116.77 1sq3 n ILE 4 Ca 0.00 -0.05 -0.32 0.00 -2.50 0.00 0.00 62.75 59.88 1sq3 n ILE 4 Cb 0.00 -1.49 -0.02 0.00 0.54 0.00 0.00 39.64 38.67 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 2.66 6.42 0.56 9.51 1.04 -1.26 -4.91 113.70 127.72 1sq3 s SER 5 Ca 0.89 1.58 0.32 0.00 0.48 0.00 0.00 55.95 59.23 1sq3 s SER 5 Cb -0.81 -2.51 1.68 0.00 0.10 0.00 0.00 66.02 64.48 1sq3 s SER 5 CO 0.51 -0.73 2.14 -0.33 0.98 0.00 0.00 173.24 175.81 1sq3 h GLU 6 N 0.62 0.00 -0.99 4.02 4.39 -2.04 -1.97 114.58 118.60 1sq3 h GLU 6 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1sq3 h GLU 6 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1sq3 h GLU 6 CO 0.61 0.07 0.02 1.17 -1.16 0.00 0.00 179.01 179.71 1sq3 n LYS 7 N -3.48 1.09 0.00 2.33 4.81 -1.26 -1.89 118.16 119.76 1sq3 n LYS 7 Ca -0.02 -0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1sq3 n LYS 7 Cb 0.20 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.01 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 0.28 0.00 -0.31 3.15 0.31 -0.74 -2.21 118.33 118.81 1sq3 n VAL 9 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.50 1sq3 n VAL 9 Cb 0.45 0.00 0.32 0.00 -0.91 0.00 0.00 33.84 33.70 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 0.15 -0.06 5.55 -0.00 -1.66 0.37 114.58 118.93 1sq3 h GLU 10 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.36 59.27 1sq3 h GLU 10 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.72 1sq3 h GLU 10 CO 0.00 0.10 -0.27 0.00 -0.00 0.00 0.00 179.01 178.84 1sq3 h ALA 11 N 1.85 0.11 -0.41 1.06 0.00 -1.73 0.16 119.26 120.31 1sq3 h ALA 11 Ca 0.60 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1sq3 h ALA 11 Cb 1.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1sq3 h ALA 11 CO -0.72 0.13 0.28 -0.07 0.00 0.00 0.00 179.25 178.87 1sq3 h LEU 12 N -0.23 0.19 -0.28 0.00 3.38 -1.58 -0.19 115.31 116.62 1sq3 h LEU 12 Ca -0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1sq3 h LEU 12 Cb 0.91 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1sq3 h LEU 12 CO 0.06 0.12 -0.61 0.78 0.09 0.00 0.00 178.44 178.88 1sq3 h ASN 13 N 0.22 0.95 -0.43 -0.43 2.35 0.82 0.23 115.58 119.29 1sq3 h ASN 13 Ca 0.19 -0.54 0.09 0.00 -0.55 0.00 0.00 56.30 55.48 1sq3 h ASN 13 Cb 0.45 -0.27 -0.09 0.00 0.05 0.00 0.00 38.32 38.45 1sq3 h ASN 13 CO -0.03 1.34 -0.25 0.03 -1.65 0.00 0.00 177.43 176.86 1sq3 h ARG 14 N 0.62 -0.16 0.00 0.81 -0.00 0.33 -1.94 114.38 114.03 1sq3 h ARG 14 Ca -0.00 0.01 -0.09 0.00 -0.50 0.00 0.00 59.98 59.39 1sq3 h ARG 14 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.22 1sq3 h ARG 14 CO 0.13 -0.11 -0.44 0.37 0.00 0.00 0.00 179.97 179.92 1sq3 h GLN 15 N -0.17 0.00 -0.34 0.04 5.75 -0.67 0.10 115.11 119.83 1sq3 h GLN 15 Ca 0.20 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1sq3 h GLN 15 Cb 0.48 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1sq3 h GLN 15 CO -0.53 0.44 0.17 0.82 -2.65 0.00 0.00 178.83 177.08 1sq3 h ILE 16 N 0.00 1.15 -0.74 2.39 2.04 -0.49 0.50 117.51 122.36 1sq3 h ILE 16 Ca -0.00 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1sq3 h ILE 16 Cb 0.94 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1sq3 h ILE 16 CO 0.06 0.16 0.31 -1.13 0.00 0.00 0.00 178.15 177.55 1sq3 h ASN 17 N 0.41 1.00 -0.07 1.72 -1.24 -0.76 -1.29 115.58 115.34 1sq3 h ASN 17 Ca 0.12 -0.14 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 1sq3 h ASN 17 Cb 0.10 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 1sq3 h ASN 17 CO -0.02 0.88 -0.14 0.00 -1.29 0.00 0.00 177.43 176.86 1sq3 h ALA 18 N 1.27 1.30 -0.24 1.57 0.00 -0.44 -0.37 119.26 122.35 1sq3 h ALA 18 Ca 0.25 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1sq3 h ALA 18 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sq3 h ALA 18 CO -0.02 0.46 -0.50 0.93 0.00 0.00 0.00 179.25 180.12 1sq3 h GLU 19 N 0.38 0.66 -0.33 0.00 4.39 -0.45 -2.16 114.58 117.07 1sq3 h GLU 19 Ca 0.07 -0.39 -0.16 0.00 0.34 0.00 0.00 59.36 59.22 1sq3 h GLU 19 Cb 0.48 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1sq3 h GLU 19 CO 0.03 1.00 -0.44 0.82 -1.16 0.00 0.00 179.01 179.27 1sq3 h ILE 20 N 0.52 1.28 -0.32 3.13 2.04 -0.81 -1.86 117.51 121.49 1sq3 h ILE 20 Ca 0.02 -1.62 -0.08 0.00 1.00 0.00 0.00 64.86 64.18 1sq3 h ILE 20 Cb 1.05 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1sq3 h ILE 20 CO 0.10 0.53 -0.15 0.22 0.00 0.00 0.00 178.15 178.86 1sq3 h TYR 21 N 0.68 0.61 -0.61 1.37 5.03 -1.02 -0.17 116.97 122.86 1sq3 h TYR 21 Ca 0.04 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.25 1sq3 h TYR 21 Cb 1.02 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 39.11 1sq3 h TYR 21 CO 0.06 0.68 0.37 0.77 -1.32 0.00 0.00 178.16 178.72 1sq3 h SER 22 N 0.51 0.73 -0.44 -2.11 0.02 -1.17 0.63 113.55 111.73 1sq3 h SER 22 Ca 0.09 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1sq3 h SER 22 Cb 0.55 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1sq3 h SER 22 CO 0.04 0.58 0.13 0.00 -1.14 0.00 0.00 176.83 176.43 1sq3 h ALA 23 N 1.19 0.50 0.00 3.77 0.00 -0.58 -0.45 119.26 123.70 1sq3 h ALA 23 Ca 0.22 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1sq3 h ALA 23 Cb -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sq3 h ALA 23 CO -0.04 -0.27 -0.41 -0.92 0.00 0.00 0.00 179.25 177.61 1sq3 h TYR 24 N 0.28 0.00 -0.23 0.00 3.20 0.02 -0.18 116.97 120.06 1sq3 h TYR 24 Ca 0.21 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1sq3 h TYR 24 Cb 0.23 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1sq3 h TYR 24 CO -0.18 0.41 -0.29 1.25 -1.64 0.00 0.00 178.16 177.72 1sq3 h LEU 25 N 0.00 0.66 -1.19 2.82 5.85 0.84 -1.99 115.31 122.30 1sq3 h LEU 25 Ca -0.00 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.13 1sq3 h LEU 25 Cb 0.89 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1sq3 h LEU 25 CO 0.05 1.02 -0.40 1.88 -0.34 0.00 0.00 178.44 180.66 1sq3 h TYR 26 N 0.31 0.01 -0.19 1.25 0.05 -0.54 -1.61 116.97 116.24 1sq3 h TYR 26 Ca 0.03 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 1sq3 h TYR 26 Cb 0.86 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 1sq3 h TYR 26 CO 0.08 0.41 -0.45 1.25 -1.05 0.00 0.00 178.16 178.40 1sq3 h LEU 27 N 0.01 0.51 -1.75 3.88 5.85 -0.83 0.55 115.31 123.54 1sq3 h LEU 27 Ca -0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1sq3 h LEU 27 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1sq3 h LEU 27 CO 0.05 0.89 0.00 -0.24 -0.34 0.00 0.00 178.44 178.80 1sq3 n SER 28 N -4.00 0.63 0.00 1.25 2.88 -0.61 -2.03 113.62 111.75 1sq3 n SER 28 Ca -0.02 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1sq3 n SER 28 Cb 0.53 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.75 0.00 -0.23 -1.46 0.00 0.18 -1.17 120.51 118.59 1sq3 n ALA 30 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1sq3 n ALA 30 Cb 0.11 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 0.76 -0.69 0.00 0.87 -1.69 -1.00 113.55 111.81 1sq3 h SER 31 Ca 0.00 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1sq3 h SER 31 Cb 0.00 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1sq3 h SER 31 CO 0.00 0.58 0.37 0.22 -0.53 0.00 0.00 176.83 177.47 1sq3 h TYR 32 N 0.88 0.96 -0.13 2.24 3.20 -1.39 -1.22 116.97 121.50 1sq3 h TYR 32 Ca 0.23 -0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.87 1sq3 h TYR 32 Cb -0.06 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 37.92 1sq3 h TYR 32 CO -0.02 0.68 -0.74 0.74 -1.64 0.00 0.00 178.16 177.18 1sq3 h PHE 33 N 0.95 1.00 -0.79 -3.82 0.04 -1.81 -1.69 116.94 110.81 1sq3 h PHE 33 Ca 0.24 -0.45 0.15 0.00 2.80 0.00 0.00 57.97 60.71 1sq3 h PHE 33 Cb 0.05 -0.15 -0.15 0.00 2.20 0.00 0.00 35.95 37.91 1sq3 h PHE 33 CO -0.00 1.27 -0.25 0.22 -0.60 0.00 0.00 178.31 178.95 1sq3 h ASP 34 N 0.44 -0.93 0.59 2.17 1.82 -1.17 0.77 116.42 120.12 1sq3 h ASP 34 Ca -0.06 0.25 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 1sq3 h ASP 34 Cb 1.38 0.55 -0.00 0.00 0.68 0.00 0.00 39.33 41.93 1sq3 h ASP 34 CO 0.15 -0.28 -0.16 0.77 -1.61 0.00 0.00 179.24 178.12 1sq3 h SER 35 N -0.03 0.00 -0.35 2.28 4.64 -0.31 -2.85 113.55 116.93 1sq3 h SER 35 Ca 0.35 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.63 1sq3 h SER 35 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1sq3 h SER 35 CO -0.83 0.16 0.02 2.30 -0.87 0.00 0.00 176.83 177.61 1sq3 n ILE 36 N -3.51 2.43 -0.42 0.95 -5.35 -0.92 -4.96 119.36 107.59 1sq3 n ILE 36 Ca -0.01 -1.91 0.00 0.00 -0.27 0.00 0.00 62.75 60.56 1sq3 n ILE 36 Cb 0.31 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 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 -0.43 0.73 3.25 3.28 0.00 -0.93 -5.01 105.19 106.08 1sq3 n GLY 37 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1sq3 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq3 s LEU 38 N 0.00 6.11 0.23 0.99 1.43 0.22 -4.87 118.68 122.80 1sq3 s LEU 38 Ca 0.00 -3.36 0.08 0.00 -1.03 0.00 0.00 54.13 49.82 1sq3 s LEU 38 Cb 0.00 -2.09 0.21 0.00 0.03 0.00 0.00 46.19 44.34 1sq3 s LEU 38 CO 0.00 -0.33 1.53 0.11 0.23 0.00 0.00 176.35 177.89 1sq3 h LYS 39 N 6.77 0.07 -0.39 1.70 1.79 -1.92 -1.06 116.57 123.52 1sq3 h LYS 39 Ca 0.14 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1sq3 h LYS 39 Cb 0.90 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 1sq3 h LYS 39 CO 0.88 0.74 0.11 0.78 -1.08 0.00 0.00 179.45 180.89 1sq3 h GLY 40 N 1.95 0.66 0.95 3.86 0.00 -1.90 0.21 103.07 108.80 1sq3 h GLY 40 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1sq3 h GLY 40 CO 0.10 0.37 0.17 0.74 0.00 0.00 0.00 176.54 177.92 1sq3 h PHE 41 N 0.49 0.49 -0.52 5.60 -1.00 -1.64 -1.99 116.94 118.37 1sq3 h PHE 41 Ca 0.13 -0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.99 1sq3 h PHE 41 Cb 0.27 -0.15 -0.10 0.00 3.61 0.00 0.00 35.95 39.58 1sq3 h PHE 41 CO 0.01 0.42 -0.11 1.03 -1.61 0.00 0.00 178.31 178.05 1sq3 h SER 42 N 0.42 -0.45 -0.07 2.17 0.87 -1.00 -2.21 113.55 113.30 1sq3 h SER 42 Ca 0.12 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1sq3 h SER 42 Cb 0.11 0.31 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1sq3 h SER 42 CO -0.02 -0.16 -0.18 -1.13 -0.53 0.00 0.00 176.83 174.81 1sq3 h ASN 43 N 0.01 -0.54 0.00 6.23 -0.73 -0.35 -0.55 115.58 119.65 1sq3 h ASN 43 Ca 0.25 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.51 1sq3 h ASN 43 Cb 0.38 0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.22 1sq3 h ASN 43 CO -0.52 -0.24 0.00 1.87 -0.37 0.00 0.00 177.43 178.17 1sq3 n TRP 44 N -5.32 0.00 0.00 0.67 -0.00 -0.77 -1.08 117.44 110.95 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 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.54 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 0.21 0.00 -0.06 5.87 5.12 -0.21 -0.66 116.66 126.93 1sq3 n ARG 46 Ca 0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1sq3 n ARG 46 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 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 1.28 -0.49 1.55 2.07 -1.36 -2.51 116.25 116.79 1sq3 h VAL 47 Ca 0.00 -1.78 -0.08 0.00 0.82 0.00 0.00 66.70 65.66 1sq3 h VAL 47 Cb 0.00 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1sq3 h VAL 47 CO 0.00 0.58 -0.02 -0.61 0.02 0.00 0.00 177.57 177.54 1sq3 h GLN 48 N 0.61 0.82 -0.37 1.57 5.75 -1.15 0.27 115.11 122.62 1sq3 h GLN 48 Ca -0.00 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1sq3 h GLN 48 Cb 1.21 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 1sq3 h GLN 48 CO 0.13 0.84 0.22 2.35 -2.65 0.00 0.00 178.83 179.71 1sq3 h TRP 49 N 0.76 0.40 -0.19 3.99 2.91 -1.78 0.20 115.95 122.25 1sq3 h TRP 49 Ca 0.14 0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.05 1sq3 h TRP 49 Cb 0.48 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 1sq3 h TRP 49 CO 0.03 0.24 -0.41 1.96 -1.03 0.00 0.00 178.44 179.22 1sq3 h GLN 50 N 0.44 0.45 -0.42 2.65 4.20 -1.02 -1.71 115.11 119.70 1sq3 h GLN 50 Ca 0.15 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1sq3 h GLN 50 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1sq3 h GLN 50 CO -0.07 0.79 0.07 1.49 -0.67 0.00 0.00 178.83 180.43 1sq3 h GLU 51 N 0.37 0.69 -0.33 1.46 4.81 0.02 -3.11 114.58 118.48 1sq3 h GLU 51 Ca 0.03 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1sq3 h GLU 51 Cb 0.88 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1sq3 h GLU 51 CO 0.07 0.73 -0.18 0.93 -0.73 0.00 0.00 179.01 179.83 1sq3 h GLU 52 N 0.54 0.61 -1.25 1.92 4.39 -0.28 -0.80 114.58 119.72 1sq3 h GLU 52 Ca 0.13 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1sq3 h GLU 52 Cb 0.37 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1sq3 h GLU 52 CO 0.01 0.76 0.00 1.28 -1.16 0.00 0.00 179.01 179.90 1sq3 n LEU 53 N -4.15 0.00 0.00 1.33 4.32 -0.67 -0.93 117.00 116.90 1sq3 n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1sq3 n LEU 53 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1sq3 n LEU 53 CO 0.42 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.00 1sq3 n HIS 55 N 0.79 0.00 0.31 -1.77 8.25 -0.31 -4.65 115.22 117.84 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 1.58 -0.59 -1.41 0.00 -0.11 -4.72 120.51 115.25 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 0.51 -0.77 0.00 0.00 4.81 -1.26 -4.64 118.16 116.80 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 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.89 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 -0.47 0.00 0.03 5.64 -0.00 -1.26 -2.16 117.46 119.24 1sq3 n PHE 60 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 1sq3 n PHE 60 Cb 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 39.58 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 0.56 -0.40 -2.13 3.32 -1.98 -2.98 116.42 112.80 1sq3 h ASP 61 Ca 0.00 -0.32 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 1sq3 h ASP 61 Cb 0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1sq3 h ASP 61 CO 0.00 1.04 -0.23 0.15 -1.72 0.00 0.00 179.24 178.48 1sq3 h PHE 62 N 0.36 1.01 -0.15 4.55 3.57 -1.83 0.68 116.94 125.13 1sq3 h PHE 62 Ca -0.01 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1sq3 h PHE 62 Cb 1.17 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1sq3 h PHE 62 CO 0.04 1.04 0.10 0.28 -2.23 0.00 0.00 178.31 177.55 1sq3 h VAL 63 N 0.68 1.05 -0.41 1.41 2.07 -1.84 -1.49 116.25 117.71 1sq3 h VAL 63 Ca 0.09 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1sq3 h VAL 63 Cb 0.80 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1sq3 h VAL 63 CO 0.07 0.04 0.22 -1.28 0.02 0.00 0.00 177.57 176.64 1sq3 h SER 64 N 0.20 0.34 -0.81 0.57 0.87 -1.46 -0.74 113.55 112.52 1sq3 h SER 64 Ca 0.06 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1sq3 h SER 64 Cb -0.01 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 1sq3 h SER 64 CO -0.01 0.24 0.48 -0.33 -0.53 0.00 0.00 176.83 176.68 1sq3 h GLU 65 N 0.45 0.85 0.00 2.24 5.08 -0.53 -1.06 114.58 121.60 1sq3 h GLU 65 Ca 0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1sq3 h GLU 65 Cb 0.06 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1sq3 h GLU 65 CO -0.11 0.56 0.00 0.54 -1.00 0.00 0.00 179.01 179.00 1sq3 n ARG 66 N -4.68 0.73 -0.65 2.33 5.12 -0.59 -4.86 116.66 114.06 1sq3 n ARG 66 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1sq3 n ARG 66 Cb 0.19 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.41 0.86 3.67 -0.13 0.00 -0.40 -4.59 105.19 105.01 1sq3 n GLY 67 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.67 1.56 -0.19 -0.02 0.00 -0.30 -4.98 107.32 101.72 1sq3 s GLY 68 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.35 1sq3 s GLY 68 CO 0.00 0.26 -0.15 -1.60 0.00 0.00 0.00 173.10 171.61 1sq3 s ARG 69 N -4.95 3.13 -0.02 2.90 6.06 -1.26 -4.03 118.95 120.78 1sq3 s ARG 69 Ca 0.66 -0.76 -0.30 0.00 -2.50 0.00 0.00 55.73 52.82 1sq3 s ARG 69 Cb -0.19 -2.70 -0.04 0.00 0.06 0.00 0.00 34.95 32.08 1sq3 s ARG 69 CO 0.58 -0.17 1.25 0.08 -2.50 0.00 0.00 175.30 174.54 1sq3 s VAL 70 N 1.28 4.08 -0.18 7.11 1.01 -1.26 -4.91 120.40 127.52 1sq3 s VAL 70 Ca 0.04 1.43 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 1sq3 s VAL 70 Cb -0.14 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1sq3 s VAL 70 CO -0.08 0.01 -0.06 -0.75 0.00 0.00 0.00 175.10 174.22 1sq3 s LYS 71 N 2.10 3.46 0.00 2.72 2.47 -1.26 -5.13 119.74 124.11 1sq3 s LYS 71 Ca 0.58 -0.61 -0.12 0.00 -1.56 0.00 0.00 55.97 54.26 1sq3 s LYS 71 Cb -0.27 -2.89 -0.05 0.00 -1.46 0.00 0.00 37.83 33.15 1sq3 s LYS 71 CO 0.24 0.03 0.37 -0.51 0.16 0.00 0.00 175.35 175.64 1sq3 s LEU 72 N 0.88 4.43 0.00 5.43 1.43 -1.26 -4.86 118.68 124.73 1sq3 s LEU 72 Ca -0.01 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1sq3 s LEU 72 Cb -0.15 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.50 1sq3 s LEU 72 CO 0.01 0.30 0.29 -1.22 0.23 0.00 0.00 176.35 175.96 1sq3 n TYR 73 N 1.61 -0.09 -2.23 0.29 4.01 -1.26 -5.10 117.16 114.40 1sq3 n TYR 73 Ca -0.13 -2.35 -0.39 0.00 -0.16 0.00 0.00 57.90 54.87 1sq3 n TYR 73 Cb 0.53 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1sq3 n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sq3 s ALA 74 N -2.80 3.20 -0.33 -0.72 0.00 -1.26 -4.98 121.76 114.86 1sq3 s ALA 74 Ca 0.22 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 1sq3 s ALA 74 Cb -0.02 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1sq3 s ALA 74 CO 0.14 -0.61 0.31 0.08 0.00 0.00 0.00 175.76 175.69 1sq3 s VAL 75 N -1.35 5.21 0.56 0.00 1.01 -1.26 -5.05 120.40 119.52 1sq3 s VAL 75 Ca 0.56 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 1sq3 s VAL 75 Cb -0.33 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1sq3 s VAL 75 CO 0.42 -0.02 1.29 -0.62 0.00 0.00 0.00 175.10 176.16 1sq3 n GLU 76 N 5.27 1.51 -1.77 2.72 -0.58 -1.26 -4.94 120.64 121.60 1sq3 n GLU 76 Ca -0.10 0.56 -0.43 0.00 -0.42 0.00 0.00 57.16 56.77 1sq3 n GLU 76 Cb 0.50 -2.50 -0.03 0.00 -0.57 0.00 0.00 31.44 28.84 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 -2.89 3.75 0.76 3.49 2.12 -1.26 -5.00 118.70 119.67 1sq3 s GLU 77 Ca 0.73 2.19 -0.11 0.00 0.36 0.00 0.00 54.97 58.14 1sq3 s GLU 77 Cb -0.42 -4.19 0.04 0.00 0.26 0.00 0.00 34.13 29.82 1sq3 s GLU 77 CO 0.48 -1.39 1.09 -1.25 -0.54 0.00 0.00 175.26 173.65 1sq3 s PRO 78 N 5.08 2.43 0.91 4.30 0.04 -1.26 -5.04 135.00 141.47 1sq3 s PRO 78 Ca 0.87 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1sq3 s PRO 78 Cb -0.35 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.37 1sq3 s PRO 78 CO 0.36 -1.37 1.09 -1.25 0.04 0.00 0.00 177.00 175.87 1sq3 s PRO 79 N -5.22 1.09 0.00 0.56 0.04 -1.26 -5.01 135.00 125.21 1sq3 s PRO 79 Ca 0.60 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1sq3 s PRO 79 Cb -0.13 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1sq3 s PRO 79 CO 0.53 -2.39 0.00 -1.13 0.04 0.00 0.00 177.00 174.05 1sq3 n SER 80 N -4.00 0.62 -4.25 6.66 3.41 -1.26 -4.86 113.62 109.93 1sq3 n SER 80 Ca 0.07 -0.11 -0.26 0.00 -0.26 0.00 0.00 58.87 58.32 1sq3 n SER 80 Cb 0.54 0.34 -0.14 0.00 -0.26 0.00 0.00 64.21 64.70 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 -0.47 1.43 0.17 4.33 0.41 -1.26 -4.59 118.70 118.73 1sq3 s GLU 81 Ca 0.00 -0.94 0.06 0.00 -0.41 0.00 0.00 54.97 53.68 1sq3 s GLU 81 Cb 0.00 -1.54 -0.05 0.00 -1.78 0.00 0.00 34.13 30.77 1sq3 s GLU 81 CO 0.00 0.39 -0.12 -1.58 -0.49 0.00 0.00 175.26 173.47 1sq3 s TRP 82 N -0.78 1.46 0.31 1.61 0.51 -1.26 -5.07 118.94 115.72 1sq3 s TRP 82 Ca 0.08 -0.68 0.12 0.00 -2.12 0.00 0.00 56.10 53.50 1sq3 s TRP 82 Cb -0.09 -0.71 0.53 0.00 -0.81 0.00 0.00 33.47 32.39 1sq3 s TRP 82 CO 0.02 0.20 1.71 -0.44 -0.51 0.00 0.00 176.95 177.93 1sq3 h ASP 83 N 2.68 0.00 -4.27 2.95 3.32 -2.00 -3.47 116.42 115.62 1sq3 h ASP 83 Ca -0.37 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.88 1sq3 h ASP 83 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 1sq3 h ASP 83 CO 0.63 0.50 0.71 -0.94 -1.72 0.00 0.00 179.24 178.42 1sq3 s SER 84 N -6.85 -0.21 0.35 6.45 1.04 -1.26 -4.98 113.70 108.23 1sq3 s SER 84 Ca -0.02 0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.56 1sq3 s SER 84 Cb 0.13 0.22 0.89 0.00 0.10 0.00 0.00 66.02 67.36 1sq3 s SER 84 CO 0.74 -0.34 1.79 -0.65 0.98 0.00 0.00 173.24 175.77 1sq3 h PRO 85 N 2.05 0.59 0.34 4.02 0.11 -1.99 0.11 132.00 137.24 1sq3 h PRO 85 Ca -0.13 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1sq3 h PRO 85 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1sq3 h PRO 85 CO 0.26 0.39 -0.25 1.25 -0.21 0.00 0.00 178.00 179.44 1sq3 h LEU 86 N 0.61 -0.64 -1.51 2.35 5.85 -1.95 -1.54 115.31 118.49 1sq3 h LEU 86 Ca 0.56 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.32 1sq3 h LEU 86 Cb 1.08 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1sq3 h LEU 86 CO -0.32 -0.38 0.31 0.00 -0.34 0.00 0.00 178.44 177.71 1sq3 h ALA 87 N 0.01 1.64 0.20 1.25 0.00 -1.33 -0.40 119.26 120.63 1sq3 h ALA 87 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sq3 h ALA 87 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sq3 h ALA 87 CO 0.01 0.33 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 1sq3 h ALA 88 N 1.69 -0.47 -0.12 0.00 0.00 -0.52 -1.98 119.26 117.85 1sq3 h ALA 88 Ca 0.17 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1sq3 h ALA 88 Cb -0.05 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1sq3 h ALA 88 CO -0.04 -0.80 -0.45 0.74 0.00 0.00 0.00 179.25 178.70 1sq3 h PHE 89 N -0.50 0.35 -0.81 0.00 0.04 -0.37 -1.46 116.94 114.19 1sq3 h PHE 89 Ca 0.01 -0.10 0.07 0.00 2.80 0.00 0.00 57.97 60.74 1sq3 h PHE 89 Cb 0.48 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 1sq3 h PHE 89 CO -0.19 0.69 0.53 0.93 -0.60 0.00 0.00 178.31 179.67 1sq3 h GLU 90 N 0.24 0.85 -0.17 1.51 5.08 -0.99 0.43 114.58 121.53 1sq3 h GLU 90 Ca 0.02 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 1sq3 h GLU 90 Cb 0.89 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sq3 h GLU 90 CO 0.07 0.56 -0.61 1.25 -1.00 0.00 0.00 179.01 179.28 1sq3 h HIS 91 N 0.88 0.76 0.12 4.33 2.76 -0.59 -1.35 115.15 122.05 1sq3 h HIS 91 Ca 0.35 -0.29 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1sq3 h HIS 91 Cb 0.24 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 1sq3 h HIS 91 CO -0.00 1.05 -0.24 0.28 -1.30 0.00 0.00 177.93 177.72 1sq3 h VAL 92 N 0.44 0.46 0.12 5.26 2.07 -0.58 0.31 116.25 124.33 1sq3 h VAL 92 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1sq3 h VAL 92 Cb 1.18 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1sq3 h VAL 92 CO 0.12 0.00 -0.35 0.22 0.02 0.00 0.00 177.57 177.58 1sq3 h TYR 93 N -0.45 -0.96 -0.81 1.57 3.20 -0.71 0.60 116.97 119.40 1sq3 h TYR 93 Ca 0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1sq3 h TYR 93 Cb 0.47 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 1sq3 h TYR 93 CO -0.22 -0.46 0.47 0.93 -1.64 0.00 0.00 178.16 177.24 1sq3 h GLU 94 N -0.58 1.11 -0.76 1.82 5.08 -1.16 -0.08 114.58 120.00 1sq3 h GLU 94 Ca 0.03 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1sq3 h GLU 94 Cb 0.61 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1sq3 h GLU 94 CO -0.21 0.80 0.40 1.25 -1.00 0.00 0.00 179.01 180.25 1sq3 h HIS 95 N 1.11 1.07 -0.25 4.33 2.76 -0.53 -1.39 115.15 122.26 1sq3 h HIS 95 Ca 0.29 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.32 1sq3 h HIS 95 Cb -0.01 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 1sq3 h HIS 95 CO -0.00 0.76 -0.30 0.93 -1.30 0.00 0.00 177.93 178.02 1sq3 h GLU 96 N 1.06 0.50 -0.79 5.26 4.39 0.30 0.15 114.58 125.46 1sq3 h GLU 96 Ca 0.27 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1sq3 h GLU 96 Cb 0.06 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1sq3 h GLU 96 CO -0.04 0.75 0.32 0.28 -1.16 0.00 0.00 179.01 179.16 1sq3 h VAL 97 N 0.43 1.26 -0.34 3.13 2.07 -0.58 0.23 116.25 122.45 1sq3 h VAL 97 Ca 0.06 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1sq3 h VAL 97 Cb 0.75 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1sq3 h VAL 97 CO 0.06 0.33 0.19 0.78 0.02 0.00 0.00 177.57 178.95 1sq3 h ASN 98 N 1.15 0.43 -0.64 0.57 2.35 -0.51 -0.31 115.58 118.62 1sq3 h ASN 98 Ca 0.26 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1sq3 h ASN 98 Cb 0.21 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1sq3 h ASN 98 CO -0.02 0.39 0.43 0.58 -1.65 0.00 0.00 177.43 177.15 1sq3 h VAL 99 N 0.43 1.01 -0.35 2.81 2.07 -0.14 -1.74 116.25 120.35 1sq3 h VAL 99 Ca 0.12 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.25 1sq3 h VAL 99 Cb 0.05 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1sq3 h VAL 99 CO -0.02 0.12 -0.44 0.74 0.02 0.00 0.00 177.57 177.99 1sq3 h THR 100 N 0.65 1.27 -0.11 2.57 2.02 -0.18 -0.92 112.91 118.21 1sq3 h THR 100 Ca 0.28 -1.62 0.04 0.00 0.77 0.00 0.00 66.41 65.89 1sq3 h THR 100 Cb 0.26 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 1sq3 h THR 100 CO -0.09 0.54 -0.31 0.50 0.37 0.00 0.00 175.52 176.53 1sq3 h LYS 101 N 0.72 -0.38 -0.21 6.66 3.64 -0.59 -1.40 116.57 125.01 1sq3 h LYS 101 Ca 0.04 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1sq3 h LYS 101 Cb 1.04 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1sq3 h LYS 101 CO 0.10 -0.25 -0.15 -0.09 -2.27 0.00 0.00 179.45 176.79 1sq3 h ARG 102 N -0.40 0.35 -0.56 1.90 1.12 -0.90 -0.33 114.38 115.56 1sq3 h ARG 102 Ca 0.09 -0.10 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 1sq3 h ARG 102 Cb 0.54 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.43 1sq3 h ARG 102 CO -0.33 0.50 0.08 0.82 -3.11 0.00 0.00 179.97 177.93 1sq3 h ILE 103 N 0.33 1.26 0.00 1.20 1.08 -1.04 -2.58 117.51 117.75 1sq3 h ILE 103 Ca 0.06 -0.99 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1sq3 h ILE 103 Cb 0.46 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1sq3 h ILE 103 CO 0.03 0.36 -0.04 0.45 -0.69 0.00 0.00 178.15 178.25 1sq3 h HIS 104 N 0.83 0.00 0.06 1.37 3.86 0.08 -1.35 115.15 120.00 1sq3 h HIS 104 Ca 0.17 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.11 1sq3 h HIS 104 Cb 0.43 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1sq3 h HIS 104 CO 0.03 0.04 -1.41 0.93 0.86 0.00 0.00 177.93 178.39 1sq3 h GLU 105 N 0.00 0.13 -0.28 2.45 5.08 -1.26 -2.64 114.58 118.06 1sq3 h GLU 105 Ca -0.00 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 1sq3 h GLU 105 Cb 0.19 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sq3 h GLU 105 CO 0.01 0.96 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.43 1sq3 h LEU 106 N 0.03 0.80 -0.58 1.33 3.38 -0.88 -2.35 115.31 117.05 1sq3 h LEU 106 Ca -0.18 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.49 1sq3 h LEU 106 Cb 1.94 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.39 1sq3 h LEU 106 CO 0.14 1.15 0.17 0.58 0.09 0.00 0.00 178.44 180.56 1sq3 h VAL 107 N 0.59 0.71 0.00 1.22 2.07 -1.32 -1.49 116.25 118.03 1sq3 h VAL 107 Ca 0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sq3 h VAL 107 Cb 1.03 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1sq3 h VAL 107 CO 0.10 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.13 1sq3 n GLU 108 N -5.07 0.47 -0.71 1.57 -0.58 -0.88 -4.73 120.64 110.71 1sq3 n GLU 108 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1sq3 n GLU 108 Cb 0.28 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 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 0.53 -0.03 0.00 0.62 0.00 -0.57 -4.72 120.51 116.35 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 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.71 0.00 -0.01 0.00 3.00 -1.26 -0.89 117.38 117.52 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 0.01 0.00 0.47 0.00 0.00 0.00 0.00 30.24 30.73 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 1.74 -3.80 -1.09 1.02 -1.26 -4.91 120.64 112.33 1sq3 n GLU 113 Ca 0.00 -1.08 -0.27 0.00 -0.02 0.00 0.00 57.16 55.80 1sq3 n GLU 113 Cb 0.00 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 29.98 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 0.31 -5.77 -3.43 3.49 5.02 -0.07 -4.89 118.16 112.81 1sq3 n LYS 114 Ca 0.18 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.69 1sq3 n LYS 114 Cb 0.38 -5.48 -0.02 0.00 -0.02 0.00 0.00 35.03 29.88 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 -3.61 6.79 0.42 4.39 -1.08 -0.07 -4.89 116.67 118.61 1sq3 s ASP 115 Ca 0.46 -3.44 0.18 0.00 -0.52 0.00 0.00 52.55 49.23 1sq3 s ASP 115 Cb -0.23 -2.12 0.92 0.00 -1.46 0.00 0.00 42.92 40.04 1sq3 s ASP 115 CO 0.81 -0.31 1.88 -0.26 0.52 0.00 0.00 175.17 177.81 1sq3 h PHE 116 N 6.70 0.00 -0.32 -5.34 0.04 -1.90 -1.79 116.94 114.33 1sq3 h PHE 116 Ca 0.15 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.86 1sq3 h PHE 116 Cb 0.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1sq3 h PHE 116 CO 0.79 0.29 -0.03 0.00 -0.60 0.00 0.00 178.31 178.76 1sq3 h ALA 117 N 1.71 0.43 0.00 2.45 0.00 -1.97 -0.83 119.26 121.04 1sq3 h ALA 117 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1sq3 h ALA 117 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sq3 h ALA 117 CO 0.04 0.22 -0.47 1.15 0.00 0.00 0.00 179.25 180.18 1sq3 h THR 118 N 0.37 1.16 -0.46 0.00 2.02 -1.83 -2.11 112.91 112.06 1sq3 h THR 118 Ca 0.09 -1.73 -0.05 0.00 0.77 0.00 0.00 66.41 65.48 1sq3 h THR 118 Cb 0.50 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1sq3 h THR 118 CO 0.02 0.46 0.09 0.22 0.37 0.00 0.00 175.52 176.69 1sq3 h TYR 119 N 0.00 0.80 -0.16 3.16 3.20 -0.96 -1.12 116.97 121.89 1sq3 h TYR 119 Ca -0.00 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1sq3 h TYR 119 Cb 0.94 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1sq3 h TYR 119 CO 0.00 0.74 -0.28 -0.91 -1.64 0.00 0.00 178.16 176.07 1sq3 h ASN 120 N 0.63 0.53 -0.20 -2.11 -0.26 -0.85 -2.77 115.58 110.55 1sq3 h ASN 120 Ca 0.14 -0.54 0.05 0.00 -0.56 0.00 0.00 56.30 55.40 1sq3 h ASN 120 Cb 0.36 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.41 1sq3 h ASN 120 CO 0.01 0.97 -0.18 0.15 -1.06 0.00 0.00 177.43 177.32 1sq3 h PHE 121 N 0.11 -0.45 0.00 1.19 3.57 -1.42 -2.07 116.94 117.87 1sq3 h PHE 121 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1sq3 h PHE 121 Cb 0.86 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1sq3 h PHE 121 CO 0.09 -0.25 0.00 -0.07 -2.23 0.00 0.00 178.31 175.85 1sq3 h LEU 122 N -0.19 0.00 -2.31 0.59 3.38 -1.01 -0.97 115.31 114.79 1sq3 h LEU 122 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1sq3 h LEU 122 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1sq3 h LEU 122 CO -0.31 0.00 -0.04 1.56 0.09 0.00 0.00 178.44 179.74 1sq3 h GLN 123 N 0.00 0.00 -0.09 1.13 1.08 -1.10 0.76 115.11 116.89 1sq3 h GLN 123 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sq3 h GLN 123 Cb 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1sq3 h GLN 123 CO 0.00 0.04 0.05 2.35 -0.95 0.00 0.00 178.83 180.32 1sq3 h TRP 124 N 0.00 0.13 0.00 2.96 7.01 -1.30 -2.35 115.95 122.40 1sq3 h TRP 124 Ca -0.00 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 1sq3 h TRP 124 Cb 0.13 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1sq3 h TRP 124 CO 0.00 0.19 -0.34 1.88 -2.79 0.00 0.00 178.44 177.38 1sq3 h TYR 125 N 0.04 0.00 -0.26 2.65 -1.99 -1.07 -0.77 116.97 115.57 1sq3 h TYR 125 Ca 0.03 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 1sq3 h TYR 125 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1sq3 h TYR 125 CO -0.04 0.34 -0.04 0.28 -0.00 0.00 0.00 178.16 178.70 1sq3 h VAL 126 N 0.00 1.27 -0.49 -2.88 2.07 -0.99 -1.16 116.25 114.08 1sq3 h VAL 126 Ca -0.00 -1.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 1sq3 h VAL 126 Cb 0.82 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1sq3 h VAL 126 CO 0.04 0.32 -0.15 0.00 0.02 0.00 0.00 177.57 177.81 1sq3 h ALA 127 N 0.79 0.68 -0.50 1.67 0.00 -1.11 -2.95 119.26 117.84 1sq3 h ALA 127 Ca 0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1sq3 h ALA 127 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sq3 h ALA 127 CO 0.02 0.61 0.14 1.49 0.00 0.00 0.00 179.25 181.52 1sq3 h GLU 128 N 0.82 0.74 -0.12 0.00 4.57 -1.10 -2.31 114.58 117.16 1sq3 h GLU 128 Ca 0.12 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1sq3 h GLU 128 Cb 0.71 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1sq3 h GLU 128 CO 0.05 0.65 -0.40 1.96 -1.18 0.00 0.00 179.01 180.10 1sq3 h GLN 129 N 0.72 0.27 -0.62 1.92 1.08 -1.05 -0.07 115.11 117.36 1sq3 h GLN 129 Ca 0.17 -0.12 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1sq3 h GLN 129 Cb 0.23 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 1sq3 h GLN 129 CO -0.01 0.62 0.30 0.28 -0.95 0.00 0.00 178.83 179.08 1sq3 h VAL 130 N 0.22 0.90 -0.29 -0.54 2.07 -1.27 -0.91 116.25 116.43 1sq3 h VAL 130 Ca 0.02 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 1sq3 h VAL 130 Cb 0.80 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1sq3 h VAL 130 CO 0.06 0.10 -0.36 -0.08 0.02 0.00 0.00 177.57 177.31 1sq3 h GLU 131 N 0.55 0.76 -0.33 1.57 4.22 -1.26 -2.60 114.58 117.49 1sq3 h GLU 131 Ca 0.29 -0.43 0.05 0.00 0.08 0.00 0.00 59.36 59.35 1sq3 h GLU 131 Cb 0.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1sq3 h GLU 131 CO -0.22 1.05 0.04 0.93 -2.18 0.00 0.00 179.01 178.64 1sq3 h GLU 132 N 0.51 0.15 -0.50 1.92 4.39 -0.52 0.78 114.58 121.31 1sq3 h GLU 132 Ca 0.04 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1sq3 h GLU 132 Cb 0.95 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1sq3 h GLU 132 CO 0.09 0.10 0.18 0.93 -1.16 0.00 0.00 179.01 179.14 1sq3 h GLU 133 N 0.15 0.76 -0.16 2.33 5.08 -1.19 -1.97 114.58 119.58 1sq3 h GLU 133 Ca 0.15 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1sq3 h GLU 133 Cb 0.18 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1sq3 h GLU 133 CO -0.22 0.69 -0.61 0.00 -1.00 0.00 0.00 179.01 177.88 1sq3 h ALA 134 N 1.03 0.65 -0.47 3.43 0.00 -1.03 0.20 119.26 123.07 1sq3 h ALA 134 Ca 0.16 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1sq3 h ALA 134 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sq3 h ALA 134 CO -0.01 0.71 0.13 0.77 0.00 0.00 0.00 179.25 180.85 1sq3 h SER 135 N 0.40 0.70 -0.27 0.00 0.02 -0.78 -1.17 113.55 112.44 1sq3 h SER 135 Ca -0.00 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1sq3 h SER 135 Cb 1.16 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 1sq3 h SER 135 CO 0.11 0.73 -0.24 0.00 -1.14 0.00 0.00 176.83 176.29 1sq3 h ALA 136 N 0.99 0.39 -0.85 3.77 0.00 -0.77 -2.83 119.26 119.96 1sq3 h ALA 136 Ca 0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1sq3 h ALA 136 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1sq3 h ALA 136 CO -0.00 0.36 0.44 1.25 0.00 0.00 0.00 179.25 181.30 1sq3 h LEU 137 N 0.36 1.09 -0.78 0.00 5.85 -0.58 -1.60 115.31 119.65 1sq3 h LEU 137 Ca 0.05 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1sq3 h LEU 137 Cb 0.80 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1sq3 h LEU 137 CO 0.06 0.90 -0.04 -0.78 -0.34 0.00 0.00 178.44 178.25 1sq3 h ASP 138 N 1.21 0.87 0.31 1.25 3.58 -1.04 0.02 116.42 122.60 1sq3 h ASP 138 Ca 0.30 -0.24 -0.21 0.00 0.42 0.00 0.00 57.03 57.30 1sq3 h ASP 138 Cb 0.08 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 1sq3 h ASP 138 CO -0.04 0.95 -0.87 0.40 -2.88 0.00 0.00 179.24 176.80 1sq3 h ILE 139 N 0.82 1.39 -0.64 2.25 2.04 -1.36 -2.23 117.51 119.78 1sq3 h ILE 139 Ca 0.15 -2.35 0.05 0.00 1.00 0.00 0.00 64.86 63.71 1sq3 h ILE 139 Cb 0.54 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 1sq3 h ILE 139 CO 0.03 0.70 0.36 0.58 0.00 0.00 0.00 178.15 179.82 1sq3 h VAL 140 N 0.25 1.00 -0.64 1.67 2.07 -0.58 -0.49 116.25 119.53 1sq3 h VAL 140 Ca -0.06 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1sq3 h VAL 140 Cb 1.48 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1sq3 h VAL 140 CO 0.15 0.12 0.05 -0.33 0.02 0.00 0.00 177.57 177.58 1sq3 h GLU 141 N 0.68 1.10 -0.12 1.57 4.39 -0.94 -2.19 114.58 119.08 1sq3 h GLU 141 Ca 0.28 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1sq3 h GLU 141 Cb 0.13 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1sq3 h GLU 141 CO -0.16 1.04 -0.19 0.87 -1.16 0.00 0.00 179.01 179.41 1sq3 h LYS 142 N 1.02 0.19 0.00 2.33 1.57 -0.85 -2.61 116.57 118.22 1sq3 h LYS 142 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1sq3 h LYS 142 Cb 0.51 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1sq3 h LYS 142 CO 0.02 0.39 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.09 1sq3 h LEU 143 N 0.18 0.00 -0.10 2.94 3.38 -0.58 -2.66 115.31 118.47 1sq3 h LEU 143 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1sq3 h LEU 143 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1sq3 h LEU 143 CO 0.03 0.02 -0.33 0.03 0.09 0.00 0.00 178.44 178.27 1sq3 h ARG 144 N 0.00 0.40 -0.63 1.13 3.08 -1.03 -2.37 114.38 114.96 1sq3 h ARG 144 Ca -0.00 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 1sq3 h ARG 144 Cb 1.02 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 1sq3 h ARG 144 CO 0.00 0.92 0.11 -0.07 -1.07 0.00 0.00 179.97 179.87 1sq3 h LEU 145 N -0.04 0.98 -1.16 3.04 3.38 -1.57 -3.14 115.31 116.80 1sq3 h LEU 145 Ca -0.01 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1sq3 h LEU 145 Cb 0.96 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1sq3 h LEU 145 CO 0.07 0.97 0.55 0.40 0.09 0.00 0.00 178.44 180.52 1sq3 h ILE 146 N 0.97 1.22 0.00 1.22 2.04 -1.46 -3.47 117.51 118.03 1sq3 h ILE 146 Ca 0.20 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1sq3 h ILE 146 Cb 0.40 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1sq3 h ILE 146 CO 0.01 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.98 1sq3 n GLY 147 N -1.39 2.25 0.25 5.37 0.00 -0.90 -1.58 105.19 109.19 1sq3 n GLY 147 Ca 0.09 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.49 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 0.93 -1.98 1.61 -0.58 -1.26 -4.87 120.64 128.49 1sq3 n GLU 148 Ca 0.00 -0.49 -0.39 0.00 -0.42 0.00 0.00 57.16 55.86 1sq3 n GLU 148 Cb 0.00 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.35 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 -2.41 5.33 0.33 1.62 -1.08 -0.61 -4.88 116.67 114.97 1sq3 s ASP 149 Ca 0.28 0.64 0.04 0.00 -0.52 0.00 0.00 52.55 52.99 1sq3 s ASP 149 Cb 0.20 -2.53 0.57 0.00 -1.46 0.00 0.00 42.92 39.70 1sq3 s ASP 149 CO 0.48 -2.28 1.85 0.11 0.52 0.00 0.00 175.17 175.85 1sq3 h LYS 150 N 14.96 0.53 -0.48 4.34 1.57 -1.89 -1.83 116.57 133.76 1sq3 h LYS 150 Ca -0.27 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 1sq3 h LYS 150 Cb 1.17 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1sq3 h LYS 150 CO 1.17 0.58 -0.04 -0.09 -0.57 0.00 0.00 179.45 180.50 1sq3 h ARG 151 N 0.50 0.88 -0.68 3.15 2.43 -1.98 -1.21 114.38 117.48 1sq3 h ARG 151 Ca 0.10 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 1sq3 h ARG 151 Cb 0.38 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1sq3 h ARG 151 CO 0.02 0.94 0.19 0.00 -1.51 0.00 0.00 179.97 179.61 1sq3 h ALA 152 N 0.91 1.06 -0.19 2.80 0.00 -1.80 0.67 119.26 122.71 1sq3 h ALA 152 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sq3 h ALA 152 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sq3 h ALA 152 CO 0.03 0.63 0.12 1.25 0.00 0.00 0.00 179.25 181.28 1sq3 h LEU 153 N 1.01 0.22 -1.52 0.00 5.85 -1.12 -0.73 115.31 119.02 1sq3 h LEU 153 Ca 0.22 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1sq3 h LEU 153 Cb 0.31 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1sq3 h LEU 153 CO -0.00 0.18 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.96 1sq3 h LEU 154 N 0.23 0.00 -0.18 2.25 3.38 -0.86 -0.91 115.31 119.23 1sq3 h LEU 154 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1sq3 h LEU 154 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sq3 h LEU 154 CO -0.01 0.25 -0.13 0.15 0.09 0.00 0.00 178.44 178.78 1sq3 h PHE 155 N 0.00 0.47 -0.78 1.13 3.57 -0.07 -2.21 116.94 119.05 1sq3 h PHE 155 Ca -0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1sq3 h PHE 155 Cb 0.50 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1sq3 h PHE 155 CO 0.00 0.74 0.41 1.25 -2.23 0.00 0.00 178.31 178.49 1sq3 h LEU 156 N 0.07 0.99 -0.51 0.59 5.85 -0.98 -1.87 115.31 119.45 1sq3 h LEU 156 Ca 0.03 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1sq3 h LEU 156 Cb 0.64 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1sq3 h LEU 156 CO 0.03 0.81 0.33 -0.78 -0.34 0.00 0.00 178.44 178.50 1sq3 h ASP 157 N 1.09 0.60 -0.27 1.25 3.58 -1.07 -0.53 116.42 121.07 1sq3 h ASP 157 Ca 0.27 -0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.74 1sq3 h ASP 157 Cb 0.06 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 1sq3 h ASP 157 CO -0.04 0.46 -0.07 0.50 -2.88 0.00 0.00 179.24 177.21 1sq3 h LYS 158 N 0.69 0.00 -0.65 0.28 3.64 -1.29 -0.98 116.57 118.27 1sq3 h LYS 158 Ca 0.19 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1sq3 h LYS 158 Cb -0.05 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1sq3 h LYS 158 CO -0.04 0.00 0.33 1.49 -2.27 0.00 0.00 179.45 178.97 1sq3 h GLU 159 N 0.00 0.59 -0.03 1.90 4.81 -0.81 -2.18 114.58 118.86 1sq3 h GLU 159 Ca 0.13 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1sq3 h GLU 159 Cb 0.19 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1sq3 h GLU 159 CO -0.27 0.39 -0.38 -0.07 -0.73 0.00 0.00 179.01 177.94 1sq3 h LEU 160 N 0.60 0.06 -1.93 1.64 4.07 -0.92 -2.78 115.31 116.05 1sq3 h LEU 160 Ca 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1sq3 h LEU 160 Cb 0.25 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1sq3 h LEU 160 CO -0.22 0.44 0.00 0.77 -1.08 0.00 0.00 178.44 178.35 1sq3 h SER 161 N 0.05 0.00 1.52 -0.43 4.64 -0.50 -2.63 113.55 116.20 1sq3 h SER 161 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sq3 h SER 161 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1sq3 h SER 161 CO 0.05 0.00 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.71 1sq3 h LEU 162 N 0.00 0.00-10.06 5.97 4.07 -1.47 -3.47 115.31 110.35 1sq3 h LEU 162 Ca 0.00 -0.03 -0.56 0.00 0.08 0.00 0.00 57.88 57.37 1sq3 h LEU 162 Cb 0.13 0.00 0.15 0.00 1.08 0.00 0.00 40.66 42.03 1sq3 h LEU 162 CO 0.00 0.02 0.51 -1.14 -1.08 0.00 0.00 178.44 176.75 1sq3 n ARG 163 N -2.62 1.29 0.00 1.13 0.63 -0.99 -5.16 116.66 110.93 1sq3 n ARG 163 Ca 0.04 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1sq3 n ARG 163 Cb 0.49 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.88 1sq3 n ARG 163 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16