#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 3.10 -2.26 2.46 -5.35 -1.26 -4.96 119.36 111.09 1sq3 n ILE 4 Ca 0.00 -0.50 -0.28 0.00 -0.27 0.00 0.00 62.75 61.70 1sq3 n ILE 4 Cb 0.00 -1.35 0.03 0.00 -1.74 0.00 0.00 39.64 36.58 1sq3 n ILE 4 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1sq3 s SER 5 N -0.87 5.66 0.37 7.28 1.04 -1.26 -4.94 113.70 120.98 1sq3 s SER 5 Ca 0.68 0.88 0.05 0.00 0.48 0.00 0.00 55.95 58.04 1sq3 s SER 5 Cb -0.48 -1.86 0.73 0.00 0.10 0.00 0.00 66.02 64.51 1sq3 s SER 5 CO 0.53 -1.07 2.00 -0.33 0.98 0.00 0.00 173.24 175.35 1sq3 h GLU 6 N -0.27 0.72 -1.05 4.02 5.08 -2.05 -2.21 114.58 118.83 1sq3 h GLU 6 Ca -0.45 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1sq3 h GLU 6 Cb 1.25 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1sq3 h GLU 6 CO 0.62 0.48 0.01 1.17 -1.00 0.00 0.00 179.01 180.28 1sq3 n LYS 7 N -4.46 1.01 0.00 2.33 4.81 -1.26 -1.74 118.16 118.85 1sq3 n LYS 7 Ca 0.07 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1sq3 n LYS 7 Cb 0.12 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.16 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 -0.14 3.15 0.31 -0.83 -1.75 118.33 119.60 1sq3 n VAL 9 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1sq3 n VAL 9 Cb 0.51 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.94 -0.70 5.55 4.57 -1.62 -0.41 114.58 122.91 1sq3 h GLU 10 Ca 0.00 -0.39 -0.07 0.00 -1.18 0.00 0.00 59.36 57.72 1sq3 h GLU 10 Cb 0.00 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1sq3 h GLU 10 CO 0.00 1.05 0.17 0.00 -1.18 0.00 0.00 179.01 179.06 1sq3 h ALA 11 N 0.93 0.92 -0.39 2.92 0.00 -1.59 -0.51 119.26 121.54 1sq3 h ALA 11 Ca 0.11 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1sq3 h ALA 11 Cb 0.78 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sq3 h ALA 11 CO 0.06 0.64 -0.02 -0.07 0.00 0.00 0.00 179.25 179.86 1sq3 h LEU 12 N 1.05 0.69 -1.38 0.00 3.38 -1.74 -1.67 115.31 115.63 1sq3 h LEU 12 Ca 0.22 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1sq3 h LEU 12 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1sq3 h LEU 12 CO 0.00 0.85 0.04 0.78 0.09 0.00 0.00 178.44 180.20 1sq3 h ASN 13 N 0.52 0.42 -0.19 -0.43 2.35 -0.79 0.64 115.58 118.09 1sq3 h ASN 13 Ca 0.11 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1sq3 h ASN 13 Cb 0.51 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1sq3 h ASN 13 CO 0.02 0.45 -0.24 0.03 -1.65 0.00 0.00 177.43 176.05 1sq3 h ARG 14 N 0.45 0.65 -0.03 0.81 2.47 -0.83 -1.20 114.38 116.70 1sq3 h ARG 14 Ca 0.10 -0.26 -0.19 0.00 -1.26 0.00 0.00 59.98 58.37 1sq3 h ARG 14 Cb 0.23 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1sq3 h ARG 14 CO 0.00 0.84 -0.81 0.37 0.56 0.00 0.00 179.97 180.93 1sq3 h GLN 15 N 0.57 0.32 -0.28 0.04 5.75 0.25 0.20 115.11 121.96 1sq3 h GLN 15 Ca 0.08 -0.30 0.06 0.00 -0.15 0.00 0.00 58.65 58.34 1sq3 h GLN 15 Cb 0.72 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 29.28 1sq3 h GLN 15 CO 0.05 0.97 -0.08 0.82 -2.65 0.00 0.00 178.83 177.95 1sq3 h ILE 16 N 0.20 0.70 -0.95 2.39 2.04 0.28 0.23 117.51 122.39 1sq3 h ILE 16 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1sq3 h ILE 16 Cb 1.40 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 1sq3 h ILE 16 CO 0.13 0.00 0.60 -1.13 0.00 0.00 0.00 178.15 177.75 1sq3 h ASN 17 N -0.01 0.91 0.17 1.72 -1.24 -0.79 -0.92 115.58 115.41 1sq3 h ASN 17 Ca 0.14 0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.03 1sq3 h ASN 17 Cb 0.22 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1sq3 h ASN 17 CO -0.30 0.53 -0.55 0.00 -1.29 0.00 0.00 177.43 175.83 1sq3 h ALA 18 N 1.48 0.80 -0.56 1.57 0.00 0.09 0.39 119.26 123.03 1sq3 h ALA 18 Ca 0.44 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1sq3 h ALA 18 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1sq3 h ALA 18 CO -0.22 0.69 0.13 0.93 0.00 0.00 0.00 179.25 180.78 1sq3 h GLU 19 N 0.31 0.91 -0.63 0.00 4.39 0.23 1.00 114.58 120.79 1sq3 h GLU 19 Ca 0.01 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.40 1sq3 h GLU 19 Cb 1.06 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1sq3 h GLU 19 CO 0.09 0.85 0.05 0.82 -1.16 0.00 0.00 179.01 179.67 1sq3 h ILE 20 N 0.81 1.26 -0.22 3.13 2.04 -0.92 -0.86 117.51 122.75 1sq3 h ILE 20 Ca 0.18 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1sq3 h ILE 20 Cb 0.36 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1sq3 h ILE 20 CO 0.00 0.40 0.14 0.22 0.00 0.00 0.00 178.15 178.91 1sq3 h TYR 21 N 0.99 0.28 -0.44 1.37 3.20 -0.61 -1.24 116.97 120.51 1sq3 h TYR 21 Ca 0.19 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.15 1sq3 h TYR 21 Cb 0.50 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.58 1sq3 h TYR 21 CO 0.03 0.21 -0.17 0.77 -1.64 0.00 0.00 178.16 177.36 1sq3 h SER 22 N 0.28 -0.61 -0.61 -2.11 0.02 -0.33 0.63 113.55 110.83 1sq3 h SER 22 Ca 0.08 0.15 0.10 0.00 -0.84 0.00 0.00 61.79 61.29 1sq3 h SER 22 Cb 0.00 0.35 -0.08 0.00 0.14 0.00 0.00 62.40 62.81 1sq3 h SER 22 CO -0.02 -0.21 0.18 0.00 -1.14 0.00 0.00 176.83 175.65 1sq3 h ALA 23 N 1.28 0.76 -0.13 3.77 0.00 -0.84 -1.21 119.26 122.89 1sq3 h ALA 23 Ca 0.21 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1sq3 h ALA 23 Cb 0.41 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1sq3 h ALA 23 CO -0.50 -0.25 -0.53 -0.92 0.00 0.00 0.00 179.25 177.05 1sq3 h TYR 24 N 0.34 0.48 -0.29 0.00 3.20 0.52 0.22 116.97 121.43 1sq3 h TYR 24 Ca 0.31 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1sq3 h TYR 24 Cb 0.43 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1sq3 h TYR 24 CO -0.20 0.84 0.17 1.25 -1.64 0.00 0.00 178.16 178.58 1sq3 h LEU 25 N 0.30 0.36 -1.30 2.82 5.85 0.68 -0.51 115.31 123.50 1sq3 h LEU 25 Ca 0.01 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1sq3 h LEU 25 Cb 1.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1sq3 h LEU 25 CO 0.09 0.32 -0.34 1.88 -0.34 0.00 0.00 178.44 180.05 1sq3 h TYR 26 N 0.37 0.00 -0.28 1.25 0.05 -0.78 -2.69 116.97 114.89 1sq3 h TYR 26 Ca 0.11 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.73 1sq3 h TYR 26 Cb 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1sq3 h TYR 26 CO -0.04 0.34 -0.45 1.25 -1.05 0.00 0.00 178.16 178.21 1sq3 h LEU 27 N 0.00 0.79 -2.09 3.88 5.85 -0.40 -1.68 115.31 121.66 1sq3 h LEU 27 Ca -0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1sq3 h LEU 27 Cb 0.65 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sq3 h LEU 27 CO 0.04 1.12 0.00 -0.24 -0.34 0.00 0.00 178.44 179.02 1sq3 n SER 28 N -4.02 0.12 0.00 1.25 2.88 -0.25 -2.40 113.62 111.19 1sq3 n SER 28 Ca -0.02 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1sq3 n SER 28 Cb 0.56 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 1.03 0.00 -0.09 -1.46 0.00 -0.63 -1.35 120.51 118.00 1sq3 n ALA 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1sq3 n ALA 30 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 0.90 -0.43 0.00 0.87 -1.77 -1.22 113.55 111.91 1sq3 h SER 31 Ca 0.00 -0.42 0.07 0.00 -1.23 0.00 0.00 61.79 60.20 1sq3 h SER 31 Cb 0.00 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 61.65 1sq3 h SER 31 CO 0.00 1.20 0.10 0.22 -0.53 0.00 0.00 176.83 177.81 1sq3 h TYR 32 N 0.68 0.16 0.01 2.24 3.20 -1.46 -1.08 116.97 120.73 1sq3 h TYR 32 Ca 0.05 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.73 1sq3 h TYR 32 Cb 1.00 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1sq3 h TYR 32 CO 0.06 0.02 -0.93 0.74 -1.64 0.00 0.00 178.16 176.42 1sq3 h PHE 33 N 0.23 0.36 -0.68 -3.82 0.04 -1.80 -2.28 116.94 109.00 1sq3 h PHE 33 Ca 0.21 -0.21 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1sq3 h PHE 33 Cb 0.25 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 1sq3 h PHE 33 CO -0.20 1.04 0.40 -0.44 -0.60 0.00 0.00 178.31 178.51 1sq3 h ASP 34 N 0.13 0.61 0.16 2.17 3.32 -0.97 -1.21 116.42 120.62 1sq3 h ASP 34 Ca -0.06 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1sq3 h ASP 34 Cb 1.57 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 41.01 1sq3 h ASP 34 CO 0.15 0.40 -0.12 0.77 -1.72 0.00 0.00 179.24 178.72 1sq3 h SER 35 N 0.74 0.00 -0.73 6.45 4.64 -0.63 -1.64 113.55 122.39 1sq3 h SER 35 Ca 0.29 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.23 1sq3 h SER 35 Cb 0.13 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.00 1sq3 h SER 35 CO -0.16 0.12 0.34 2.30 -0.87 0.00 0.00 176.83 178.56 1sq3 n ILE 36 N -4.16 2.95 -1.68 0.95 -5.35 -1.04 -4.95 119.36 106.07 1sq3 n ILE 36 Ca -0.02 -2.33 -0.13 0.00 -0.27 0.00 0.00 62.75 60.00 1sq3 n ILE 36 Cb 0.20 -0.43 -0.04 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.13 0.84 3.06 3.28 0.00 -0.62 -4.95 105.19 105.67 1sq3 n GLY 37 Ca 0.49 -0.40 -0.34 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 -1.61 3.96 0.23 0.99 4.77 -0.49 -4.92 117.00 119.93 1sq3 n LEU 38 Ca -0.14 -5.16 0.15 0.00 -0.03 0.00 0.00 56.01 50.84 1sq3 n LEU 38 Cb 0.49 -1.02 0.52 0.00 -2.33 0.00 0.00 43.42 41.08 1sq3 n LEU 38 CO 0.19 1.61 0.92 0.11 -1.33 0.00 0.00 177.39 178.90 1sq3 h LYS 39 N 5.83 0.00 0.05 3.23 1.79 -1.92 -2.17 116.57 123.38 1sq3 h LYS 39 Ca 0.16 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.38 1sq3 h LYS 39 Cb 0.79 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1sq3 h LYS 39 CO 0.83 0.00 -1.07 0.78 -1.08 0.00 0.00 179.45 178.91 1sq3 h GLY 40 N 2.69 0.49 1.18 3.86 0.00 -1.91 -1.44 103.07 107.94 1sq3 h GLY 40 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 47.33 46.20 1sq3 h GLY 40 CO 0.00 0.84 -0.47 0.74 0.00 0.00 0.00 176.54 177.65 1sq3 h PHE 41 N 0.21 1.08 -0.20 5.60 -1.00 -1.66 -1.46 116.94 119.52 1sq3 h PHE 41 Ca -0.11 -0.35 0.06 0.00 2.81 0.00 0.00 57.97 60.37 1sq3 h PHE 41 Cb 1.73 -0.21 -0.07 0.00 3.61 0.00 0.00 35.95 41.01 1sq3 h PHE 41 CO 0.07 1.18 -0.31 1.03 -1.61 0.00 0.00 178.31 178.67 1sq3 h SER 42 N 0.69 -0.98 -0.67 2.17 0.87 -1.45 -2.09 113.55 112.09 1sq3 h SER 42 Ca 0.04 0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.85 1sq3 h SER 42 Cb 1.07 0.43 -0.08 0.00 -0.44 0.00 0.00 62.40 63.38 1sq3 h SER 42 CO 0.11 -0.34 0.28 -1.13 -0.53 0.00 0.00 176.83 175.22 1sq3 h ASN 43 N -0.35 0.30 0.00 6.23 -0.73 -1.02 -1.35 115.58 118.67 1sq3 h ASN 43 Ca 0.12 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1sq3 h ASN 43 Cb 0.53 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1sq3 h ASN 43 CO -0.39 0.16 0.00 1.87 -0.37 0.00 0.00 177.43 178.70 1sq3 n TRP 44 N -4.96 0.00 0.00 0.67 -0.00 -0.57 -1.05 117.44 111.53 1sq3 n TRP 44 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1sq3 n TRP 44 Cb 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.61 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 0.50 0.00 -0.17 5.87 5.12 -0.51 -1.93 116.66 125.55 1sq3 n ARG 46 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1sq3 n ARG 46 Cb 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.32 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 1.27 0.00 1.55 2.07 -1.35 -2.39 116.25 117.40 1sq3 h VAL 47 Ca 0.00 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 1sq3 h VAL 47 Cb 0.00 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1sq3 h VAL 47 CO 0.00 0.46 -0.42 -0.61 0.02 0.00 0.00 177.57 177.02 1sq3 h GLN 48 N 0.89 0.00 -0.56 1.57 5.75 -1.64 -0.97 115.11 120.15 1sq3 h GLN 48 Ca 0.13 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 1sq3 h GLN 48 Cb 0.72 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 1sq3 h GLN 48 CO 0.06 0.42 -0.03 2.35 -2.65 0.00 0.00 178.83 178.97 1sq3 h TRP 49 N 0.00 1.11 -0.49 3.99 2.91 -1.75 -0.36 115.95 121.37 1sq3 h TRP 49 Ca -0.00 -0.20 -0.05 0.00 1.13 0.00 0.00 58.89 59.76 1sq3 h TRP 49 Cb 1.15 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.49 1sq3 h TRP 49 CO 0.00 1.01 0.11 1.96 -1.03 0.00 0.00 178.44 180.49 1sq3 h GLN 50 N 0.90 0.79 -0.67 2.65 4.20 -1.15 -2.09 115.11 119.74 1sq3 h GLN 50 Ca 0.16 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1sq3 h GLN 50 Cb 0.58 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1sq3 h GLN 50 CO 0.03 0.77 0.36 1.49 -0.67 0.00 0.00 178.83 180.81 1sq3 h GLU 51 N 0.67 0.94 -0.32 1.46 4.81 -0.91 -2.54 114.58 118.69 1sq3 h GLU 51 Ca 0.15 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1sq3 h GLU 51 Cb 0.34 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1sq3 h GLU 51 CO 0.00 0.72 -0.30 0.93 -0.73 0.00 0.00 179.01 179.63 1sq3 h GLU 52 N 0.92 0.67 -1.37 1.92 4.39 -0.91 -1.30 114.58 118.89 1sq3 h GLU 52 Ca 0.23 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1sq3 h GLU 52 Cb 0.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1sq3 h GLU 52 CO -0.04 0.89 0.00 1.28 -1.16 0.00 0.00 179.01 179.98 1sq3 n LEU 53 N -4.08 0.00 0.00 1.33 4.32 -0.80 -0.90 117.00 116.87 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 0.45 0.00 0.00 1.41 -1.22 0.00 0.00 177.39 178.03 1sq3 n HIS 55 N 0.79 0.00 0.42 -1.77 8.25 -0.49 -4.61 115.22 117.81 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 1.87 -0.68 -1.41 0.00 -0.08 -4.74 120.51 115.47 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 0.70 -0.70 0.00 0.00 4.81 -1.26 -4.62 118.16 117.09 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 0.19 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.73 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 -0.67 0.00 0.01 5.64 -0.00 -1.26 -2.60 117.46 118.58 1sq3 n PHE 60 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 1sq3 n PHE 60 Cb 0.01 0.00 0.25 0.00 -0.00 0.00 0.00 39.48 39.74 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 0.47 0.45 -2.13 3.32 -1.98 -3.11 116.42 113.44 1sq3 h ASP 61 Ca 0.00 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 1sq3 h ASP 61 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1sq3 h ASP 61 CO 0.00 0.64 -0.74 0.15 -1.72 0.00 0.00 179.24 177.57 1sq3 h PHE 62 N 0.45 0.33 -0.84 4.55 3.57 -1.89 -0.83 116.94 122.27 1sq3 h PHE 62 Ca 0.08 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1sq3 h PHE 62 Cb 0.51 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1sq3 h PHE 62 CO 0.02 0.89 0.43 0.28 -2.23 0.00 0.00 178.31 177.70 1sq3 h VAL 63 N 0.16 1.25 -0.27 1.41 2.07 -1.85 -1.79 116.25 117.22 1sq3 h VAL 63 Ca -0.03 -0.68 -0.17 0.00 0.82 0.00 0.00 66.70 66.65 1sq3 h VAL 63 Cb 1.31 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1sq3 h VAL 63 CO 0.12 0.30 -0.51 -1.28 0.02 0.00 0.00 177.57 176.22 1sq3 h SER 64 N 1.18 0.85 1.32 0.57 0.87 -1.48 -1.86 113.55 115.01 1sq3 h SER 64 Ca 0.29 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1sq3 h SER 64 Cb 0.08 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1sq3 h SER 64 CO -0.04 1.20 -0.05 -0.08 -0.53 0.00 0.00 176.83 177.33 1sq3 h GLU 65 N 0.60 0.00 -0.00 2.24 4.81 -0.91 -1.43 114.58 119.89 1sq3 h GLU 65 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1sq3 h GLU 65 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1sq3 h GLU 65 CO 0.11 0.05 -0.03 0.54 -0.73 0.00 0.00 179.01 178.95 1sq3 n ARG 66 N -3.14 0.80 0.00 1.92 5.12 -0.70 -4.92 116.66 115.74 1sq3 n ARG 66 Ca 0.02 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1sq3 n ARG 66 Cb 0.41 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 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 1.17 2.45 3.52 -0.13 0.00 -0.54 -4.48 105.19 107.18 1sq3 n GLY 67 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1sq3 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sq3 s GLY 68 N -2.47 1.53 -0.02 -0.02 0.00 -0.71 -4.97 107.32 100.65 1sq3 s GLY 68 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.07 1sq3 s GLY 68 CO 0.00 0.17 -0.09 -1.60 0.00 0.00 0.00 173.10 171.57 1sq3 s ARG 69 N -5.08 0.95 -0.21 2.90 6.06 -1.26 -4.07 118.95 118.25 1sq3 s ARG 69 Ca 0.69 -0.32 -0.20 0.00 -2.50 0.00 0.00 55.73 53.40 1sq3 s ARG 69 Cb -0.15 -0.89 -0.03 0.00 0.06 0.00 0.00 34.95 33.94 1sq3 s ARG 69 CO 0.58 0.13 0.59 0.08 -2.50 0.00 0.00 175.30 174.18 1sq3 s VAL 70 N 0.12 5.05 -0.16 7.11 1.01 -1.26 -4.98 120.40 127.29 1sq3 s VAL 70 Ca -0.02 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1sq3 s VAL 70 Cb -0.08 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1sq3 s VAL 70 CO 0.00 0.13 0.25 -0.75 0.00 0.00 0.00 175.10 174.73 1sq3 s LYS 71 N 1.89 4.17 -0.05 2.72 2.47 -1.26 -5.09 119.74 124.59 1sq3 s LYS 71 Ca 0.26 0.02 -0.06 0.00 -1.56 0.00 0.00 55.97 54.64 1sq3 s LYS 71 Cb -0.16 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.77 1sq3 s LYS 71 CO 0.10 0.31 0.20 -0.51 0.16 0.00 0.00 175.35 175.61 1sq3 s LEU 72 N 0.27 4.38 0.28 5.43 1.43 -1.26 -4.88 118.68 124.34 1sq3 s LEU 72 Ca 0.15 0.49 0.12 0.00 -1.03 0.00 0.00 54.13 53.85 1sq3 s LEU 72 Cb -0.13 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 1sq3 s LEU 72 CO 0.03 0.32 -0.18 -0.31 0.23 0.00 0.00 176.35 176.45 1sq3 s TYR 73 N -1.19 2.33 0.56 0.29 2.02 -1.26 -5.10 117.35 115.01 1sq3 s TYR 73 Ca 0.22 -0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 56.41 1sq3 s TYR 73 Cb -0.13 -1.04 -0.13 0.00 -0.40 0.00 0.00 41.96 40.26 1sq3 s TYR 73 CO 0.12 0.70 0.00 0.00 -1.57 0.00 0.00 175.55 174.80 1sq3 n ALA 74 N -0.66 -2.74 -4.01 3.71 0.00 -1.26 -4.97 120.51 110.59 1sq3 n ALA 74 Ca -0.05 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 1sq3 n ALA 74 Cb 0.60 -1.50 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.94 2.29 0.80 0.00 1.01 -1.26 -5.04 120.40 116.26 1sq3 s VAL 75 Ca 0.59 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1sq3 s VAL 75 Cb -0.46 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 33.86 1sq3 s VAL 75 CO 0.64 0.28 1.13 -1.61 0.00 0.00 0.00 175.10 175.54 1sq3 s GLU 76 N 1.24 1.91 -0.18 2.72 0.41 -1.26 -4.93 118.70 118.60 1sq3 s GLU 76 Ca -0.01 1.40 -0.29 0.00 -0.41 0.00 0.00 54.97 55.66 1sq3 s GLU 76 Cb -0.16 -1.84 -0.01 0.00 -1.78 0.00 0.00 34.13 30.34 1sq3 s GLU 76 CO -0.08 -1.94 1.28 -2.00 -0.49 0.00 0.00 175.26 172.02 1sq3 s GLU 77 N -4.59 4.18 0.65 1.61 2.12 -1.26 -5.02 118.70 116.40 1sq3 s GLU 77 Ca 0.65 1.61 -0.13 0.00 0.36 0.00 0.00 54.97 57.47 1sq3 s GLU 77 Cb -0.21 -3.79 -0.01 0.00 0.26 0.00 0.00 34.13 30.38 1sq3 s GLU 77 CO 0.53 -0.78 1.05 -1.25 -0.54 0.00 0.00 175.26 174.28 1sq3 s PRO 78 N 3.62 3.14 1.12 4.30 0.04 -1.26 -5.05 135.00 140.90 1sq3 s PRO 78 Ca 0.55 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1sq3 s PRO 78 Cb -0.21 -2.01 0.26 0.00 0.04 0.00 0.00 34.50 32.57 1sq3 s PRO 78 CO 0.16 -0.94 1.05 -1.25 0.04 0.00 0.00 177.00 176.05 1sq3 s PRO 79 N -4.72 -0.55 0.00 0.56 0.04 -1.26 -5.01 135.00 124.06 1sq3 s PRO 79 Ca 0.59 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1sq3 s PRO 79 Cb -0.14 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1sq3 s PRO 79 CO 0.48 -3.47 0.10 -1.13 0.04 0.00 0.00 177.00 173.02 1sq3 n SER 80 N -4.73 0.19 -4.11 6.66 3.41 -1.26 -4.85 113.62 108.93 1sq3 n SER 80 Ca 0.04 -0.73 -0.10 0.00 -0.26 0.00 0.00 58.87 57.82 1sq3 n SER 80 Cb 0.55 0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.09 0.67 -0.05 4.33 0.41 -1.26 -4.57 118.70 118.14 1sq3 s GLU 81 Ca 0.00 -1.11 -0.18 0.00 -0.41 0.00 0.00 54.97 53.27 1sq3 s GLU 81 Cb 0.00 -0.11 0.04 0.00 -1.78 0.00 0.00 34.13 32.28 1sq3 s GLU 81 CO 0.00 -0.02 0.41 -1.58 -0.49 0.00 0.00 175.26 173.57 1sq3 s TRP 82 N -2.96 -0.33 0.52 1.61 0.51 -1.26 -5.05 118.94 111.98 1sq3 s TRP 82 Ca 0.03 0.62 0.31 0.00 -2.12 0.00 0.00 56.10 54.94 1sq3 s TRP 82 Cb 0.01 0.17 1.76 0.00 -0.81 0.00 0.00 33.47 34.60 1sq3 s TRP 82 CO -0.04 -0.40 2.20 -0.44 -0.51 0.00 0.00 176.95 177.75 1sq3 h ASP 83 N 4.02 0.00 -4.65 2.95 3.32 -2.01 -3.46 116.42 116.59 1sq3 h ASP 83 Ca -0.29 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.03 1sq3 h ASP 83 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 1sq3 h ASP 83 CO 0.36 0.04 0.80 -0.94 -1.72 0.00 0.00 179.24 177.79 1sq3 s SER 84 N -6.00 -0.13 0.31 6.45 1.04 -1.26 -4.98 113.70 109.13 1sq3 s SER 84 Ca -0.04 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.41 1sq3 s SER 84 Cb 0.14 0.16 0.74 0.00 0.10 0.00 0.00 66.02 67.16 1sq3 s SER 84 CO 0.54 -0.28 1.78 -0.65 0.98 0.00 0.00 173.24 175.62 1sq3 h PRO 85 N 2.00 0.75 -0.80 4.02 0.11 -2.00 -1.19 132.00 134.90 1sq3 h PRO 85 Ca -0.15 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 1sq3 h PRO 85 Cb 1.18 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1sq3 h PRO 85 CO 0.25 0.49 0.32 1.25 -0.21 0.00 0.00 178.00 180.10 1sq3 h LEU 86 N 0.77 1.10 -0.74 2.35 5.85 -1.94 -2.18 115.31 120.52 1sq3 h LEU 86 Ca 0.57 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 1sq3 h LEU 86 Cb 0.88 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1sq3 h LEU 86 CO -0.37 0.97 -0.36 0.00 -0.34 0.00 0.00 178.44 178.34 1sq3 h ALA 87 N 1.17 0.91 -0.43 1.25 0.00 -1.76 -0.74 119.26 119.67 1sq3 h ALA 87 Ca 0.27 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1sq3 h ALA 87 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sq3 h ALA 87 CO -0.02 0.63 0.14 0.00 0.00 0.00 0.00 179.25 180.00 1sq3 h ALA 88 N 1.15 0.56 0.00 0.00 0.00 -0.89 -0.42 119.26 119.65 1sq3 h ALA 88 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1sq3 h ALA 88 Cb 0.84 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1sq3 h ALA 88 CO 0.07 0.19 -0.20 0.74 0.00 0.00 0.00 179.25 180.05 1sq3 h PHE 89 N 0.55 0.00 -0.25 0.00 0.04 -1.14 -0.90 116.94 115.25 1sq3 h PHE 89 Ca 0.14 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1sq3 h PHE 89 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1sq3 h PHE 89 CO 0.01 0.20 0.02 0.93 -0.60 0.00 0.00 178.31 178.87 1sq3 h GLU 90 N 0.00 0.42 -0.24 1.51 5.08 -0.78 -0.39 114.58 120.18 1sq3 h GLU 90 Ca -0.00 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1sq3 h GLU 90 Cb 1.00 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.15 1sq3 h GLU 90 CO 0.03 0.57 -0.13 1.25 -1.00 0.00 0.00 179.01 179.73 1sq3 h HIS 91 N 0.21 -0.30 -0.64 4.33 2.76 -0.73 -0.12 115.15 120.66 1sq3 h HIS 91 Ca 0.07 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.40 1sq3 h HIS 91 Cb 0.37 0.17 -0.11 0.00 1.55 0.00 0.00 27.41 29.39 1sq3 h HIS 91 CO 0.03 -0.19 0.00 0.28 -1.30 0.00 0.00 177.93 176.75 1sq3 h VAL 92 N -0.10 0.47 0.58 5.26 2.07 -0.94 0.33 116.25 123.92 1sq3 h VAL 92 Ca 0.13 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1sq3 h VAL 92 Cb 0.30 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1sq3 h VAL 92 CO -0.30 0.02 -0.28 0.22 0.02 0.00 0.00 177.57 177.25 1sq3 h TYR 93 N 0.12 -0.72 -0.68 1.57 3.20 -0.38 -0.60 116.97 119.48 1sq3 h TYR 93 Ca 0.33 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.21 1sq3 h TYR 93 Cb 0.55 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 1sq3 h TYR 93 CO -0.37 -0.40 0.45 1.49 -1.64 0.00 0.00 178.16 177.68 1sq3 h GLU 94 N -0.91 0.81 0.01 1.82 4.57 -0.81 -0.14 114.58 119.93 1sq3 h GLU 94 Ca -0.08 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1sq3 h GLU 94 Cb 0.64 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1sq3 h GLU 94 CO 0.13 0.54 -0.07 1.25 -1.18 0.00 0.00 179.01 179.68 1sq3 h HIS 95 N 0.84 -0.17 -0.35 0.92 2.76 -0.13 -1.60 115.15 117.41 1sq3 h HIS 95 Ca 0.26 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.34 1sq3 h HIS 95 Cb 0.02 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 1sq3 h HIS 95 CO -0.00 -0.11 -0.20 0.93 -1.30 0.00 0.00 177.93 177.25 1sq3 h GLU 96 N -0.13 0.67 0.00 5.26 4.39 -0.08 -0.52 114.58 124.17 1sq3 h GLU 96 Ca 0.02 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1sq3 h GLU 96 Cb 0.16 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1sq3 h GLU 96 CO -0.07 0.82 -0.05 0.28 -1.16 0.00 0.00 179.01 178.84 1sq3 h VAL 97 N 0.59 0.76 0.08 3.13 2.07 -0.83 0.23 116.25 122.28 1sq3 h VAL 97 Ca 0.09 -0.21 -0.26 0.00 0.82 0.00 0.00 66.70 67.14 1sq3 h VAL 97 Cb 0.67 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1sq3 h VAL 97 CO 0.05 0.05 -1.23 -1.13 0.02 0.00 0.00 177.57 175.33 1sq3 h ASN 98 N 0.00 0.27 -0.35 0.57 -1.24 -0.27 -2.30 115.58 112.25 1sq3 h ASN 98 Ca -0.00 -0.31 -0.11 0.00 0.71 0.00 0.00 56.30 56.59 1sq3 h ASN 98 Cb 0.12 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1sq3 h ASN 98 CO 0.01 1.24 -0.21 0.58 -1.29 0.00 0.00 177.43 177.76 1sq3 h VAL 99 N 0.05 1.29 -0.59 2.57 2.07 0.27 -1.50 116.25 120.41 1sq3 h VAL 99 Ca -0.12 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.14 1sq3 h VAL 99 Cb 1.92 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 33.01 1sq3 h VAL 99 CO 0.17 0.44 0.21 0.74 0.02 0.00 0.00 177.57 179.15 1sq3 h THR 100 N 0.56 0.77 -0.70 2.57 2.02 -0.66 0.12 112.91 117.59 1sq3 h THR 100 Ca 0.07 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1sq3 h THR 100 Cb 0.77 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1sq3 h THR 100 CO 0.06 0.07 0.40 0.50 0.37 0.00 0.00 175.52 176.92 1sq3 h LYS 101 N 0.38 0.73 -0.76 6.66 3.64 -1.15 -0.86 116.57 125.21 1sq3 h LYS 101 Ca 0.29 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1sq3 h LYS 101 Cb 0.36 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1sq3 h LYS 101 CO -0.30 0.48 0.44 0.00 -2.27 0.00 0.00 179.45 177.80 1sq3 h ARG 102 N 0.75 1.05 -0.39 1.90 2.47 0.14 -1.35 114.38 118.94 1sq3 h ARG 102 Ca 0.31 -0.11 -0.08 0.00 -1.26 0.00 0.00 59.98 58.85 1sq3 h ARG 102 Cb 0.16 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1sq3 h ARG 102 CO -0.17 0.75 -0.05 0.82 0.56 0.00 0.00 179.97 181.88 1sq3 h ILE 103 N 1.05 1.27 -0.63 2.04 1.08 -0.39 -1.99 117.51 119.93 1sq3 h ILE 103 Ca 0.27 -1.10 0.02 0.00 -0.39 0.00 0.00 64.86 63.66 1sq3 h ILE 103 Cb -0.01 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1sq3 h ILE 103 CO -0.05 0.37 0.42 0.45 -0.69 0.00 0.00 178.15 178.65 1sq3 h HIS 104 N 0.54 0.76 -0.37 1.37 3.86 -0.95 0.40 115.15 120.75 1sq3 h HIS 104 Ca 0.10 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1sq3 h HIS 104 Cb 0.55 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1sq3 h HIS 104 CO 0.04 0.47 -0.07 0.93 0.86 0.00 0.00 177.93 180.16 1sq3 h GLU 105 N 0.81 0.71 -0.30 2.45 5.08 -0.98 -1.61 114.58 120.74 1sq3 h GLU 105 Ca 0.24 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1sq3 h GLU 105 Cb -0.03 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1sq3 h GLU 105 CO -0.06 0.84 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.61 1sq3 h LEU 106 N 0.51 -0.42 -0.42 1.33 3.38 -0.70 -2.59 115.31 116.41 1sq3 h LEU 106 Ca 0.10 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1sq3 h LEU 106 Cb 0.57 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1sq3 h LEU 106 CO 0.03 -0.15 -0.03 0.58 0.09 0.00 0.00 178.44 178.96 1sq3 h VAL 107 N -0.07 0.65 0.00 1.22 2.07 -0.74 -1.62 116.25 117.76 1sq3 h VAL 107 Ca 0.15 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1sq3 h VAL 107 Cb 0.30 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1sq3 h VAL 107 CO -0.34 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 176.64 1sq3 n GLU 108 N -5.24 0.00 -0.98 1.57 -0.58 -0.62 -4.71 120.64 110.08 1sq3 n GLU 108 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1sq3 n GLU 108 Cb 0.22 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 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 0.72 -0.25 0.00 0.62 0.00 -0.61 -4.65 120.51 116.33 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 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.80 0.00 -0.01 0.00 6.02 -1.26 -0.79 117.38 120.53 1sq3 n GLN 112 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 1sq3 n GLN 112 Cb 0.13 0.00 0.64 0.00 1.02 0.00 0.00 30.24 32.03 1sq3 n GLN 112 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1sq3 n GLU 113 N 0.00 1.27 -2.49 -1.09 1.02 -1.26 -4.91 120.64 113.18 1sq3 n GLU 113 Ca 0.00 -0.40 -0.19 0.00 -0.02 0.00 0.00 57.16 56.56 1sq3 n GLU 113 Cb 0.00 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 -0.46 -2.16 -2.92 3.49 5.02 -0.70 -4.90 118.16 115.53 1sq3 n LYS 114 Ca 0.19 0.87 -0.44 0.00 -2.02 0.00 0.00 58.31 56.91 1sq3 n LYS 114 Cb 0.19 -5.54 -0.01 0.00 -0.02 0.00 0.00 35.03 29.65 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 -2.12 6.87 0.18 4.39 -1.08 0.03 -4.81 116.67 120.13 1sq3 s ASP 115 Ca 0.04 -2.55 -0.01 0.00 -0.52 0.00 0.00 52.55 49.51 1sq3 s ASP 115 Cb -0.02 -2.41 0.06 0.00 -1.46 0.00 0.00 42.92 39.10 1sq3 s ASP 115 CO 0.04 -0.91 1.43 -0.26 0.52 0.00 0.00 175.17 176.00 1sq3 h PHE 116 N 7.93 0.52 -0.40 -5.34 0.04 -1.91 -1.21 116.94 116.58 1sq3 h PHE 116 Ca 0.25 -0.23 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1sq3 h PHE 116 Cb 0.94 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1sq3 h PHE 116 CO 1.14 0.99 0.25 0.00 -0.60 0.00 0.00 178.31 180.09 1sq3 h ALA 117 N 0.95 0.50 -0.19 2.45 0.00 -1.97 -1.28 119.26 119.72 1sq3 h ALA 117 Ca -0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1sq3 h ALA 117 Cb 1.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1sq3 h ALA 117 CO 0.12 -0.06 -0.47 1.15 0.00 0.00 0.00 179.25 179.99 1sq3 h THR 118 N 0.52 1.32 -0.96 0.00 2.02 -1.91 -2.23 112.91 111.67 1sq3 h THR 118 Ca 0.15 -1.68 0.05 0.00 0.77 0.00 0.00 66.41 65.70 1sq3 h THR 118 Cb -0.04 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 1sq3 h THR 118 CO -0.05 0.52 0.63 0.22 0.37 0.00 0.00 175.52 177.21 1sq3 h TYR 119 N 0.40 1.16 0.08 3.16 3.20 -0.98 -1.01 116.97 122.97 1sq3 h TYR 119 Ca 0.02 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.76 1sq3 h TYR 119 Cb 0.98 -0.38 0.02 0.00 1.54 0.00 0.00 36.73 38.88 1sq3 h TYR 119 CO 0.04 0.65 -0.68 -0.97 -1.64 0.00 0.00 178.16 175.55 1sq3 h ASN 120 N 1.17 0.46 -0.94 -2.11 -0.73 -0.95 -3.01 115.58 109.47 1sq3 h ASN 120 Ca 0.39 -0.88 0.12 0.00 1.87 0.00 0.00 56.30 57.80 1sq3 h ASN 120 Cb 0.07 -0.15 -0.08 0.00 0.27 0.00 0.00 38.32 38.43 1sq3 h ASN 120 CO -0.13 1.29 0.60 0.15 -0.37 0.00 0.00 177.43 178.98 1sq3 h PHE 121 N -0.31 1.00 0.00 0.67 3.57 -1.19 -0.82 116.94 119.85 1sq3 h PHE 121 Ca -0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1sq3 h PHE 121 Cb 1.47 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1sq3 h PHE 121 CO 0.18 0.40 0.00 1.28 -2.23 0.00 0.00 178.31 177.94 1sq3 n LEU 122 N -4.58 0.60 0.26 0.59 4.77 -0.40 -2.89 117.00 115.34 1sq3 n LEU 122 Ca 0.18 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.87 1sq3 n LEU 122 Cb 0.38 -0.47 0.72 0.00 -2.33 0.00 0.00 43.42 41.72 1sq3 n LEU 122 CO 0.29 -0.35 1.03 1.56 -1.33 0.00 0.00 177.39 178.59 1sq3 h GLN 123 N 0.00 0.00 -0.70 3.23 1.08 -1.01 -0.56 115.11 117.15 1sq3 h GLN 123 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1sq3 h GLN 123 Cb 0.50 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1sq3 h GLN 123 CO 0.00 0.07 0.31 2.35 -0.95 0.00 0.00 178.83 180.62 1sq3 h TRP 124 N 0.00 1.03 0.00 2.96 7.01 -1.69 -2.37 115.95 122.89 1sq3 h TRP 124 Ca -0.00 -0.06 -0.09 0.00 2.11 0.00 0.00 58.89 60.85 1sq3 h TRP 124 Cb 0.15 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 1sq3 h TRP 124 CO 0.00 0.78 -0.43 1.88 -2.79 0.00 0.00 178.44 177.88 1sq3 h TYR 125 N 0.98 0.00 -0.21 2.65 -1.99 -1.33 -0.44 116.97 116.63 1sq3 h TYR 125 Ca 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.96 1sq3 h TYR 125 Cb 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1sq3 h TYR 125 CO 0.01 0.43 0.10 0.28 -0.00 0.00 0.00 178.16 178.98 1sq3 h VAL 126 N 0.00 1.14 -0.15 -2.88 2.07 -0.91 -1.32 116.25 114.20 1sq3 h VAL 126 Ca -0.00 -0.40 -0.21 0.00 0.82 0.00 0.00 66.70 66.90 1sq3 h VAL 126 Cb 1.19 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1sq3 h VAL 126 CO 0.06 0.14 -0.73 0.00 0.02 0.00 0.00 177.57 177.05 1sq3 h ALA 127 N 0.96 0.29 -0.96 1.67 0.00 -1.21 -3.07 119.26 116.94 1sq3 h ALA 127 Ca 0.07 -0.58 0.08 0.00 0.00 0.00 0.00 54.91 54.48 1sq3 h ALA 127 Cb 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1sq3 h ALA 127 CO -0.01 0.64 0.62 1.49 0.00 0.00 0.00 179.25 181.98 1sq3 h GLU 128 N 0.48 1.01 -0.05 0.00 4.57 -1.02 -1.01 114.58 118.56 1sq3 h GLU 128 Ca -0.05 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1sq3 h GLU 128 Cb 1.37 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1sq3 h GLU 128 CO 0.15 0.67 -0.24 1.96 -1.18 0.00 0.00 179.01 180.37 1sq3 h GLN 129 N 1.04 0.09 -0.14 1.92 1.08 -1.18 -0.90 115.11 117.02 1sq3 h GLN 129 Ca 0.43 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.64 1sq3 h GLN 129 Cb 0.29 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1sq3 h GLN 129 CO -0.19 0.33 -0.07 0.28 -0.95 0.00 0.00 178.83 178.23 1sq3 h VAL 130 N 0.08 0.77 -0.28 -0.54 2.07 -1.09 -1.60 116.25 115.66 1sq3 h VAL 130 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sq3 h VAL 130 Cb 0.48 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1sq3 h VAL 130 CO 0.03 0.00 0.15 -0.08 0.02 0.00 0.00 177.57 177.70 1sq3 h GLU 131 N -0.06 0.39 -0.73 1.57 4.22 -1.43 -2.63 114.58 115.91 1sq3 h GLU 131 Ca 0.08 -0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.53 1sq3 h GLU 131 Cb 0.18 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1sq3 h GLU 131 CO -0.18 0.34 0.44 0.93 -2.18 0.00 0.00 179.01 178.36 1sq3 h GLU 132 N 0.34 0.79 -0.41 1.92 4.39 -0.83 0.10 114.58 120.88 1sq3 h GLU 132 Ca 0.10 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1sq3 h GLU 132 Cb 0.06 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1sq3 h GLU 132 CO -0.02 0.52 0.07 0.93 -1.16 0.00 0.00 179.01 179.36 1sq3 h GLU 133 N 0.82 0.67 -0.36 2.33 5.08 -1.28 -2.68 114.58 119.16 1sq3 h GLU 133 Ca 0.32 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 1sq3 h GLU 133 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1sq3 h GLU 133 CO -0.16 0.72 -0.41 0.00 -1.00 0.00 0.00 179.01 178.16 1sq3 h ALA 134 N 0.93 0.59 -0.41 3.43 0.00 -1.03 0.39 119.26 123.16 1sq3 h ALA 134 Ca 0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1sq3 h ALA 134 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1sq3 h ALA 134 CO 0.01 0.68 0.24 0.77 0.00 0.00 0.00 179.25 180.95 1sq3 h SER 135 N 0.72 0.49 -0.01 0.00 0.02 -0.84 -0.08 113.55 113.85 1sq3 h SER 135 Ca 0.05 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1sq3 h SER 135 Cb 1.00 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1sq3 h SER 135 CO 0.10 0.40 -0.60 0.00 -1.14 0.00 0.00 176.83 175.59 1sq3 h ALA 136 N 1.11 0.60 -0.26 3.77 0.00 -1.38 -3.00 119.26 120.08 1sq3 h ALA 136 Ca 0.15 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1sq3 h ALA 136 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sq3 h ALA 136 CO -0.03 0.70 0.05 1.25 0.00 0.00 0.00 179.25 181.23 1sq3 h LEU 137 N 0.46 0.41 -1.52 0.00 5.85 -0.73 -1.49 115.31 118.28 1sq3 h LEU 137 Ca -0.00 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.59 1sq3 h LEU 137 Cb 1.17 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1sq3 h LEU 137 CO 0.12 0.55 0.48 0.44 -0.34 0.00 0.00 178.44 179.68 1sq3 h ASP 138 N 0.25 0.47 0.57 1.25 3.32 -0.92 0.06 116.42 121.42 1sq3 h ASP 138 Ca 0.08 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.89 1sq3 h ASP 138 Cb 0.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1sq3 h ASP 138 CO 0.00 0.26 -1.15 0.40 -1.72 0.00 0.00 179.24 177.03 1sq3 h ILE 139 N 0.51 1.48 0.16 0.35 2.04 -1.35 -0.29 117.51 120.42 1sq3 h ILE 139 Ca 0.34 -2.91 0.00 0.00 1.00 0.00 0.00 64.86 63.29 1sq3 h ILE 139 Cb 0.64 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1sq3 h ILE 139 CO -0.12 0.85 -0.15 0.58 0.00 0.00 0.00 178.15 179.31 1sq3 h VAL 140 N 0.11 0.66 -0.58 1.67 2.07 -0.39 -1.13 116.25 118.65 1sq3 h VAL 140 Ca -0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1sq3 h VAL 140 Cb 1.86 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1sq3 h VAL 140 CO 0.19 0.00 0.31 -0.33 0.02 0.00 0.00 177.57 177.76 1sq3 h GLU 141 N -0.34 0.57 -0.73 1.57 5.08 -1.00 -1.34 114.58 118.38 1sq3 h GLU 141 Ca 0.00 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1sq3 h GLU 141 Cb 0.32 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1sq3 h GLU 141 CO -0.04 0.38 0.42 0.87 -1.00 0.00 0.00 179.01 179.64 1sq3 h LYS 142 N 0.58 0.74 0.00 2.33 1.79 -0.87 -0.64 116.57 120.50 1sq3 h LYS 142 Ca 0.26 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.59 1sq3 h LYS 142 Cb 0.15 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1sq3 h LYS 142 CO -0.17 0.49 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.19 1sq3 h LEU 143 N 0.76 0.00 0.01 2.94 3.38 -0.66 -0.33 115.31 121.41 1sq3 h LEU 143 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1sq3 h LEU 143 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sq3 h LEU 143 CO -0.19 0.43 -0.01 0.03 0.09 0.00 0.00 178.44 178.80 1sq3 h ARG 144 N 0.00 -0.02 -0.96 1.13 3.08 -0.85 -2.10 114.38 114.66 1sq3 h ARG 144 Ca -0.00 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.30 1sq3 h ARG 144 Cb 0.84 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.77 1sq3 h ARG 144 CO 0.06 0.66 0.50 1.25 -1.07 0.00 0.00 179.97 181.37 1sq3 h LEU 145 N -0.72 0.49 -0.20 3.04 6.46 -1.01 -2.66 115.31 120.71 1sq3 h LEU 145 Ca -0.00 0.16 -0.21 0.00 -0.12 0.00 0.00 57.88 57.70 1sq3 h LEU 145 Cb 0.68 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 1sq3 h LEU 145 CO 0.00 0.01 -0.94 0.40 -0.62 0.00 0.00 178.44 177.30 1sq3 h ILE 146 N 0.45 1.50 0.00 4.05 2.04 -1.00 -3.48 117.51 121.07 1sq3 h ILE 146 Ca 0.63 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1sq3 h ILE 146 Cb 1.25 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1sq3 h ILE 146 CO -0.53 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.02 1sq3 n GLY 147 N 0.99 3.11 0.27 5.37 0.00 -0.80 -2.38 105.19 111.75 1sq3 n GLY 147 Ca -0.04 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 1.35 -2.03 1.61 4.71 -1.26 -4.87 120.64 134.15 1sq3 n GLU 148 Ca 0.00 -0.54 -0.42 0.00 -0.01 0.00 0.00 57.16 56.19 1sq3 n GLU 148 Cb 0.00 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 28.91 1sq3 n GLU 148 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1sq3 s ASP 149 N -2.02 6.69 -0.01 1.62 -1.08 -1.00 -4.89 116.67 115.98 1sq3 s ASP 149 Ca 0.42 2.26 0.01 0.00 -0.52 0.00 0.00 52.55 54.73 1sq3 s ASP 149 Cb 0.21 -2.55 -0.26 0.00 -1.46 0.00 0.00 42.92 38.87 1sq3 s ASP 149 CO 0.35 -0.88 0.79 0.11 0.52 0.00 0.00 175.17 176.06 1sq3 h LYS 150 N 8.93 0.16 -0.80 4.34 1.57 -1.89 -3.06 116.57 125.83 1sq3 h LYS 150 Ca -0.40 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.10 1sq3 h LYS 150 Cb 1.18 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.56 1sq3 h LYS 150 CO 0.94 0.96 0.49 0.00 -0.57 0.00 0.00 179.45 181.26 1sq3 h ARG 151 N 0.04 1.07 -0.16 3.15 3.08 -1.99 -2.38 114.38 117.20 1sq3 h ARG 151 Ca -0.25 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.52 1sq3 h ARG 151 Cb 1.99 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.81 1sq3 h ARG 151 CO 0.13 0.74 -0.66 0.00 -1.07 0.00 0.00 179.97 179.11 1sq3 h ALA 152 N 1.44 0.53 -0.69 0.04 0.00 -1.95 -2.55 119.26 116.08 1sq3 h ALA 152 Ca 0.29 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1sq3 h ALA 152 Cb -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1sq3 h ALA 152 CO -0.06 0.71 0.45 1.25 0.00 0.00 0.00 179.25 181.61 1sq3 h LEU 153 N 0.45 0.61 0.00 0.00 5.85 -1.37 -0.63 115.31 120.22 1sq3 h LEU 153 Ca -0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1sq3 h LEU 153 Cb 1.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1sq3 h LEU 153 CO 0.13 0.39 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.10 1sq3 h LEU 154 N 0.69 0.00 -0.12 2.25 3.38 -1.27 0.25 115.31 120.50 1sq3 h LEU 154 Ca 0.30 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1sq3 h LEU 154 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1sq3 h LEU 154 CO -0.10 0.15 -0.27 0.15 0.09 0.00 0.00 178.44 178.47 1sq3 h PHE 155 N 0.00 0.50 -0.58 1.13 3.04 -0.94 -1.03 116.94 119.06 1sq3 h PHE 155 Ca -0.01 -0.19 0.02 0.00 3.98 0.00 0.00 57.97 61.77 1sq3 h PHE 155 Cb 1.13 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 1sq3 h PHE 155 CO 0.00 0.88 0.36 1.25 -2.02 0.00 0.00 178.31 178.79 1sq3 h LEU 156 N -0.03 0.61 -0.72 0.59 5.85 -0.93 -1.35 115.31 119.33 1sq3 h LEU 156 Ca 0.00 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1sq3 h LEU 156 Cb 0.86 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1sq3 h LEU 156 CO 0.06 0.43 0.38 -0.78 -0.34 0.00 0.00 178.44 178.19 1sq3 h ASP 157 N 0.73 0.53 -0.60 1.25 3.58 -0.44 -0.26 116.42 121.20 1sq3 h ASP 157 Ca 0.22 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.68 1sq3 h ASP 157 Cb -0.02 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1sq3 h ASP 157 CO -0.08 0.31 0.23 0.50 -2.88 0.00 0.00 179.24 177.32 1sq3 h LYS 158 N 0.66 0.91 -0.51 0.28 3.64 -0.46 -1.66 116.57 119.44 1sq3 h LYS 158 Ca 0.34 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1sq3 h LYS 158 Cb 0.31 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1sq3 h LYS 158 CO -0.24 0.79 0.32 0.93 -2.27 0.00 0.00 179.45 178.98 1sq3 h GLU 159 N 0.85 0.63 0.00 1.90 4.39 -0.18 -2.35 114.58 119.81 1sq3 h GLU 159 Ca 0.20 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1sq3 h GLU 159 Cb 0.23 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1sq3 h GLU 159 CO -0.01 0.41 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.86 1sq3 h LEU 160 N 0.65 0.00 -1.22 1.33 4.07 -0.75 -1.66 115.31 117.72 1sq3 h LEU 160 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 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 0.32 0.00 0.77 -1.08 0.00 0.00 178.44 178.38 1sq3 h SER 161 N 0.00 0.00 0.68 -0.43 4.64 -0.74 -2.70 113.55 115.00 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 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1sq3 h SER 161 CO 0.04 0.00 -0.08 0.18 -0.87 0.00 0.00 176.83 176.10 1sq3 n LEU 162 N -2.32 0.16 -4.76 5.97 4.77 -0.62 -4.90 117.00 115.29 1sq3 n LEU 162 Ca -0.00 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 1sq3 n LEU 162 Cb 0.12 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1sq3 n LEU 162 CO 0.15 0.03 0.90 -0.60 -1.33 0.00 0.00 177.39 176.54 1sq3 s ARG 163 N -2.76 4.48 0.00 3.23 3.52 -1.02 -5.16 118.95 121.23 1sq3 s ARG 163 Ca 0.21 2.02 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 1sq3 s ARG 163 Cb 0.19 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1sq3 s ARG 163 CO 0.52 -0.04 0.40 0.00 -0.81 0.00 0.00 175.30 175.37