#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jus n LEU 3 N 0.00 0.00 -0.17 1.20 -0.00 -1.26 -4.01 117.00 112.76 1jus n LEU 3 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 56.01 56.29 1jus n LEU 3 Cb 0.00 0.00 0.72 0.00 -0.00 0.00 0.00 43.42 44.14 1jus n LEU 3 CO 0.00 0.00 1.26 0.07 -0.00 0.00 0.00 177.39 178.72 1jus h LYS 4 N 0.00 0.01 0.00 1.96 2.10 -1.99 0.39 116.57 119.03 1jus h LYS 4 Ca 0.00 -0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1jus h LYS 4 Cb 0.00 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1jus h LYS 4 CO 0.00 0.01 -0.59 0.22 -2.00 0.00 0.00 179.45 177.09 1jus h ASP 5 N 0.01 0.00 0.52 7.07 3.58 -2.00 -2.10 116.42 123.50 1jus h ASP 5 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1jus h ASP 5 Cb 1.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.71 1jus h ASP 5 CO -0.01 0.59 -0.49 1.17 -2.88 0.00 0.00 179.24 177.62 1jus n LYS 6 N -3.49 0.01 -0.06 0.28 3.00 0.13 -3.49 118.16 114.54 1jus n LYS 6 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.12 1jus n LYS 6 Cb 0.67 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 34.07 1jus n LYS 6 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1jus h ILE 7 N 0.00 1.18 -0.32 3.15 2.04 -1.25 -3.09 117.51 119.23 1jus h ILE 7 Ca 0.00 -2.29 0.09 0.00 1.00 0.00 0.00 64.86 63.66 1jus h ILE 7 Cb 0.51 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1jus h ILE 7 CO 0.00 0.52 0.46 -0.07 0.00 0.00 0.00 178.15 179.06 1jus h LEU 8 N -0.78 0.00 0.01 1.44 3.38 -1.48 0.17 115.31 118.05 1jus h LEU 8 Ca -0.24 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1jus h LEU 8 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1jus h LEU 8 CO -0.07 0.00 -0.35 1.23 0.09 0.00 0.00 178.44 179.34 1jus h GLY 9 N 0.00 0.01 1.24 0.83 0.00 -1.63 -2.56 103.07 100.96 1jus h GLY 9 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1jus h GLY 9 CO -0.00 0.03 0.38 -2.08 0.00 0.00 0.00 176.54 174.87 1jus h VAL 10 N -0.97 1.01 0.43 4.60 2.07 -0.95 -1.17 116.25 121.27 1jus h VAL 10 Ca -0.09 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1jus h VAL 10 Cb 1.10 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1jus h VAL 10 CO -0.05 0.10 -0.21 0.00 0.02 0.00 0.00 177.57 177.44 1jus h ALA 11 N 1.68 -0.57 -0.88 1.67 0.00 -0.87 -2.07 119.26 118.22 1jus h ALA 11 Ca 0.24 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1jus h ALA 11 Cb 0.24 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 1jus h ALA 11 CO -0.07 -0.57 -0.48 -0.22 0.00 0.00 0.00 179.25 177.91 1jus h LYS 12 N -1.08 -0.07 -0.68 0.00 3.64 -1.07 0.83 116.57 118.15 1jus h LYS 12 Ca -0.06 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1jus h LYS 12 Cb 0.52 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.26 1jus h LYS 12 CO 0.10 -0.04 0.18 1.49 -2.27 0.00 0.00 179.45 178.90 1jus h GLU 13 N -0.07 0.29 0.11 1.90 4.22 -1.27 -1.21 114.58 118.55 1jus h GLU 13 Ca 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.65 1jus h GLU 13 Cb 0.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1jus h GLU 13 CO -0.89 0.19 -0.05 -0.07 -2.18 0.00 0.00 179.01 176.01 1jus h LEU 14 N 0.30 -0.13 -1.00 1.64 4.07 0.12 -0.06 115.31 120.24 1jus h LEU 14 Ca 0.37 -0.25 0.08 0.00 0.08 0.00 0.00 57.88 58.15 1jus h LEU 14 Cb 0.58 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.28 1jus h LEU 14 CO -0.44 0.19 0.65 -0.26 -1.08 0.00 0.00 178.44 177.49 1jus h PHE 15 N -0.46 1.19 0.06 1.13 0.05 -0.00 0.39 116.94 119.31 1jus h PHE 15 Ca -0.02 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.80 1jus h PHE 15 Cb 0.37 -0.39 0.00 0.00 2.00 0.00 0.00 35.95 37.93 1jus h PHE 15 CO 0.02 0.59 -0.03 0.82 -0.18 0.00 0.00 178.31 179.54 1jus h ILE 16 N 1.14 1.22 -0.36 -0.55 2.04 -1.20 -0.85 117.51 118.96 1jus h ILE 16 Ca 0.44 -0.99 -0.12 0.00 1.00 0.00 0.00 64.86 65.20 1jus h ILE 16 Cb 0.22 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1jus h ILE 16 CO -0.19 0.24 -0.26 0.50 0.00 0.00 0.00 178.15 178.45 1jus h LYS 17 N -0.52 0.74 0.00 2.37 3.64 -0.57 -3.39 116.57 118.84 1jus h LYS 17 Ca -0.01 -0.31 -0.16 0.00 -1.27 0.00 0.00 60.65 58.90 1jus h LYS 17 Cb 0.46 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1jus h LYS 17 CO 0.01 0.92 -1.62 0.09 -2.27 0.00 0.00 179.45 176.58 1jus n ASN 18 N -4.10 2.95 0.00 4.20 3.02 0.13 -5.08 115.26 116.39 1jus n ASN 18 Ca -0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1jus n ASN 18 Cb 0.45 0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 1jus n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jus n GLY 19 N 2.67 2.64 0.21 7.41 0.00 -0.32 -4.52 105.19 113.27 1jus n GLY 19 Ca -0.17 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 1jus n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jus h TYR 20 N 0.00 -0.44 0.10 1.61 3.20 -1.80 -3.02 116.97 116.62 1jus h TYR 20 Ca 0.00 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 1jus h TYR 20 Cb 0.00 0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.48 1jus h TYR 20 CO 0.00 -0.25 -0.77 -0.91 -1.64 0.00 0.00 178.16 174.59 1jus h ASN 21 N -0.28 0.33 -0.77 -2.11 4.21 -1.95 -3.28 115.58 111.73 1jus h ASN 21 Ca 0.05 -0.92 0.32 0.00 1.21 0.00 0.00 56.30 56.96 1jus h ASN 21 Cb 0.35 -0.11 -0.14 0.00 -1.12 0.00 0.00 38.32 37.30 1jus h ASN 21 CO -0.16 1.35 0.40 0.00 -1.29 0.00 0.00 177.43 177.74 1jus n ALA 22 N -2.75 0.78 -2.64 -0.83 0.00 -1.23 -3.98 120.51 109.86 1jus n ALA 22 Ca -0.16 0.79 -0.37 0.00 0.00 0.00 0.00 53.44 53.69 1jus n ALA 22 Cb 0.76 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 1jus n ALA 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jus s THR 23 N -5.19 5.20 0.36 0.00 -4.23 -1.14 -4.95 115.64 105.69 1jus s THR 23 Ca -0.07 0.65 0.05 0.00 -1.18 0.00 0.00 61.69 61.14 1jus s THR 23 Cb 0.26 -3.63 -0.07 0.00 1.34 0.00 0.00 72.50 70.40 1jus s THR 23 CO 0.60 0.54 0.04 0.28 -0.54 0.00 0.00 174.62 175.54 1jus s THR 24 N -0.66 1.44 0.33 3.99 -1.32 -1.26 -4.93 115.64 113.24 1jus s THR 24 Ca 0.20 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.74 1jus s THR 24 Cb -0.15 -2.83 0.12 0.00 -1.51 0.00 0.00 72.50 68.13 1jus s THR 24 CO 0.09 0.00 1.83 0.71 -2.21 0.00 0.00 174.62 175.04 1jus h THR 25 N 1.97 1.22 -0.14 5.08 1.35 -1.98 -0.25 112.91 120.16 1jus h THR 25 Ca -0.42 -1.00 0.04 0.00 -0.55 0.00 0.00 66.41 64.48 1jus h THR 25 Cb 1.25 1.23 -0.04 0.00 -1.73 0.00 0.00 68.15 68.85 1jus h THR 25 CO 0.73 0.32 -0.13 1.23 -0.25 0.00 0.00 175.52 177.42 1jus h GLY 26 N 0.90 -0.03 0.70 5.82 0.00 -1.99 0.17 103.07 108.64 1jus h GLY 26 Ca 0.07 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1jus h GLY 26 CO 0.03 -0.14 -0.45 0.83 0.00 0.00 0.00 176.54 176.81 1jus h GLU 27 N -0.15 -1.04 -0.77 4.80 5.08 -1.81 -1.90 114.58 118.78 1jus h GLU 27 Ca 0.09 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1jus h GLU 27 Cb 0.28 0.24 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1jus h GLU 27 CO -0.23 -0.70 -0.53 0.82 -1.00 0.00 0.00 179.01 177.38 1jus h ILE 28 N -1.08 0.00 -0.44 3.13 2.04 -0.77 -1.82 117.51 118.57 1jus h ILE 28 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.85 1jus h ILE 28 Cb 0.87 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1jus h ILE 28 CO 0.08 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.76 1jus h VAL 29 N -0.09 0.61 0.34 1.67 2.07 -0.61 0.38 116.25 120.62 1jus h VAL 29 Ca 0.13 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1jus h VAL 29 Cb 0.41 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1jus h VAL 29 CO -0.77 0.01 -0.35 0.50 0.02 0.00 0.00 177.57 176.97 1jus h LYS 30 N 0.05 -0.67 -0.35 1.57 3.64 -0.50 1.84 116.57 122.15 1jus h LYS 30 Ca 0.22 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1jus h LYS 30 Cb 0.33 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1jus h LYS 30 CO -0.41 -0.44 -0.06 1.25 -2.27 0.00 0.00 179.45 177.52 1jus h LEU 31 N -0.69 0.55 -0.79 5.20 5.85 -1.43 -1.86 115.31 122.14 1jus h LEU 31 Ca -0.04 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1jus h LEU 31 Cb 0.60 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1jus h LEU 31 CO -0.05 0.66 -0.59 -1.28 -0.34 0.00 0.00 178.44 176.84 1jus h SER 32 N 0.54 0.00 -4.86 1.25 0.87 -0.03 -3.49 113.55 107.83 1jus h SER 32 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1jus h SER 32 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1jus h SER 32 CO 0.02 0.59 -0.58 -0.62 -0.53 0.00 0.00 176.83 175.72 1jus n GLU 33 N -3.80 -2.36 -3.65 2.24 1.02 0.62 -4.93 120.64 109.78 1jus n GLU 33 Ca -0.01 2.08 -0.01 0.00 -0.02 0.00 0.00 57.16 59.20 1jus n GLU 33 Cb 0.60 -4.88 -0.07 0.00 -0.02 0.00 0.00 31.44 27.07 1jus n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jus s SER 34 N -1.97 -0.15 0.29 1.62 0.15 -1.13 -5.04 113.70 107.46 1jus s SER 34 Ca 0.13 0.27 -0.28 0.00 0.70 0.00 0.00 55.95 56.77 1jus s SER 34 Cb -0.04 0.66 -0.14 0.00 -1.71 0.00 0.00 66.02 64.80 1jus s SER 34 CO 0.65 -0.04 1.00 -0.24 1.20 0.00 0.00 173.24 175.81 1jus n SER 35 N 2.47 1.26 -0.04 5.45 2.88 -1.26 -4.75 113.62 119.63 1jus n SER 35 Ca -0.14 1.18 -0.14 0.00 -1.33 0.00 0.00 58.87 58.43 1jus n SER 35 Cb 0.57 -1.29 -0.09 0.00 -0.75 0.00 0.00 64.21 62.65 1jus n SER 35 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1jus h LYS 36 N 1.96 -0.50 -0.91 -1.46 2.10 -1.96 -1.13 116.57 114.66 1jus h LYS 36 Ca -0.39 0.03 0.34 0.00 -2.00 0.00 0.00 60.65 58.63 1jus h LYS 36 Cb 1.34 0.11 -0.12 0.00 -0.90 0.00 0.00 32.23 32.66 1jus h LYS 36 CO 0.60 -0.34 0.55 0.41 -2.00 0.00 0.00 179.45 178.67 1jus n GLY 37 N -1.42 -0.61 0.42 0.07 0.00 -1.26 0.81 105.19 103.19 1jus n GLY 37 Ca -0.05 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 1jus n GLY 37 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jus h ASN 38 N 0.00 -1.50 -1.02 1.61 4.21 -1.54 0.21 115.58 117.55 1jus h ASN 38 Ca 0.66 0.21 0.26 0.00 1.21 0.00 0.00 56.30 58.64 1jus h ASN 38 Cb 1.95 0.63 -0.12 0.00 -1.12 0.00 0.00 38.32 39.66 1jus h ASN 38 CO -0.47 -0.41 0.62 -0.07 -1.29 0.00 0.00 177.43 175.81 1jus h LEU 39 N -0.43 0.60 -1.79 1.61 -0.00 0.29 -0.57 115.31 115.02 1jus h LEU 39 Ca 0.10 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1jus h LEU 39 Cb 0.62 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1jus h LEU 39 CO -0.51 0.09 -0.09 0.22 -0.00 0.00 0.00 178.44 178.15 1jus h TYR 40 N 0.51 0.01 0.00 1.13 3.20 -0.54 -2.01 116.97 119.27 1jus h TYR 40 Ca 0.64 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.51 1jus h TYR 40 Cb 1.35 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1jus h TYR 40 CO -0.01 0.11 0.00 0.98 -1.64 0.00 0.00 178.16 177.60 1jus n TYR 41 N -4.42 0.00 1.52 -3.82 9.36 -0.22 -3.71 117.16 115.87 1jus n TYR 41 Ca -0.03 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.34 1jus n TYR 41 Cb 0.17 0.00 0.72 0.00 -0.63 0.00 0.00 39.34 39.60 1jus n TYR 41 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1jus n HIS 42 N -0.34 0.00 -3.87 2.98 8.25 -1.26 -4.23 115.22 116.75 1jus n HIS 42 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1jus n HIS 42 Cb 0.00 -0.18 -0.13 0.00 1.12 0.00 0.00 29.99 30.80 1jus n HIS 42 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jus s PHE 43 N -2.40 3.04 0.00 4.41 2.99 -0.75 -5.01 117.98 120.26 1jus s PHE 43 Ca 0.33 -3.08 0.00 0.00 0.00 0.00 0.00 56.93 54.17 1jus s PHE 43 Cb 0.21 -2.56 0.00 0.00 0.00 0.00 0.00 43.02 40.66 1jus s PHE 43 CO 0.45 -0.68 0.04 1.63 -0.00 0.00 0.00 175.22 176.65 1jus n LYS 44 N 2.78 0.00 -0.16 0.44 4.01 -1.24 -3.65 118.16 120.32 1jus n LYS 44 Ca 0.12 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1jus n LYS 44 Cb 0.34 -0.54 0.00 0.00 -0.51 0.00 0.00 35.03 34.32 1jus n LYS 44 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1jus n THR 45 N -0.06 0.00 -0.02 -0.18 5.66 -1.26 -4.62 114.28 113.80 1jus n THR 45 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1jus n THR 45 Cb 0.00 -1.56 -0.14 0.00 -1.55 0.00 0.00 70.33 67.08 1jus n THR 45 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1jus n LYS 46 N -0.37 0.63 -0.22 1.09 4.81 -1.26 -3.45 118.16 119.39 1jus n LYS 46 Ca 0.00 0.29 -0.06 0.00 -0.87 0.00 0.00 58.31 57.67 1jus n LYS 46 Cb 0.00 -1.79 0.08 0.00 0.02 0.00 0.00 35.03 33.34 1jus n LYS 46 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1jus h GLU 47 N 0.00 1.06 -0.47 1.64 5.08 -1.98 -1.31 114.58 118.60 1jus h GLU 47 Ca -0.29 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1jus h GLU 47 Cb 2.02 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 31.09 1jus h GLU 47 CO 0.08 0.95 0.25 -0.97 -1.00 0.00 0.00 179.01 178.31 1jus h ASN 48 N 1.01 0.37 0.09 1.42 -1.24 -1.95 1.39 115.58 116.67 1jus h ASN 48 Ca 0.21 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.24 1jus h ASN 48 Cb 0.38 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.38 1jus h ASN 48 CO 0.00 0.26 -0.04 0.25 -1.29 0.00 0.00 177.43 176.61 1jus h LEU 49 N 0.49 -0.10 -0.47 0.34 5.85 -1.49 0.78 115.31 120.71 1jus h LEU 49 Ca 0.20 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1jus h LEU 49 Cb 0.09 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1jus h LEU 49 CO -0.13 0.15 0.23 0.15 -0.34 0.00 0.00 178.44 178.49 1jus h PHE 50 N -0.35 0.68 0.00 1.25 3.04 -0.97 -0.97 116.94 119.62 1jus h PHE 50 Ca -0.01 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 1jus h PHE 50 Cb 0.30 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 1jus h PHE 50 CO 0.00 0.55 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.61 1jus h LEU 51 N 0.62 0.00 0.61 0.59 4.07 0.19 -2.21 115.31 119.18 1jus h LEU 51 Ca 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 1jus h LEU 51 Cb 0.12 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.87 1jus h LEU 51 CO -0.02 0.16 -0.29 -0.08 -1.08 0.00 0.00 178.44 177.13 1jus h GLU 52 N 0.00 -0.79 -0.93 1.13 4.57 0.37 -2.72 114.58 116.22 1jus h GLU 52 Ca -0.00 0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.36 1jus h GLU 52 Cb 0.29 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 28.97 1jus h GLU 52 CO 0.02 -0.48 0.55 0.82 -1.18 0.00 0.00 179.01 178.74 1jus h ILE 53 N -0.97 0.85 -0.72 2.32 2.04 -0.91 -0.98 117.51 119.15 1jus h ILE 53 Ca -0.08 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1jus h ILE 53 Cb 0.67 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1jus h ILE 53 CO 0.14 0.15 0.47 -0.07 0.00 0.00 0.00 178.15 178.84 1jus h LEU 54 N 0.84 0.73 0.09 1.44 3.38 -1.28 0.14 115.31 120.65 1jus h LEU 54 Ca 0.48 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 1jus h LEU 54 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jus h LEU 54 CO -0.30 0.49 -0.04 -1.13 0.09 0.00 0.00 178.44 177.56 1jus h ASN 55 N 0.84 -0.10 -0.36 -0.43 -1.24 -0.87 -0.20 115.58 113.22 1jus h ASN 55 Ca 0.29 -0.39 0.03 0.00 0.71 0.00 0.00 56.30 56.94 1jus h ASN 55 Cb 0.10 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1jus h ASN 55 CO -0.09 0.36 0.17 0.40 -1.29 0.00 0.00 177.43 176.98 1jus h ILE 56 N -0.59 0.97 -0.92 2.57 2.04 -1.15 0.50 117.51 120.93 1jus h ILE 56 Ca -0.01 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jus h ILE 56 Cb 0.48 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1jus h ILE 56 CO 0.02 0.06 0.57 -0.33 0.00 0.00 0.00 178.15 178.48 1jus h GLU 57 N 0.35 1.24 -0.33 2.37 4.39 -0.75 0.61 114.58 122.47 1jus h GLU 57 Ca 0.15 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1jus h GLU 57 Cb 0.07 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1jus h GLU 57 CO -0.11 0.85 0.04 1.49 -1.16 0.00 0.00 179.01 180.11 1jus h GLU 58 N 1.26 0.56 -0.26 2.33 4.22 -0.41 -2.17 114.58 120.11 1jus h GLU 58 Ca 0.33 -0.16 -0.03 0.00 0.08 0.00 0.00 59.36 59.59 1jus h GLU 58 Cb -0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1jus h GLU 58 CO -0.07 0.65 0.05 0.77 -2.18 0.00 0.00 179.01 178.23 1jus h SER 59 N 0.38 0.41 -0.32 1.04 0.02 -0.12 -0.67 113.55 114.28 1jus h SER 59 Ca 0.10 -0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1jus h SER 59 Cb 0.38 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 1jus h SER 59 CO 0.01 0.56 -0.03 0.11 -1.14 0.00 0.00 176.83 176.34 1jus h LYS 60 N 0.24 0.06 -0.60 3.45 1.79 0.24 -1.13 116.57 120.61 1jus h LYS 60 Ca 0.08 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1jus h LYS 60 Cb 0.32 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1jus h LYS 60 CO 0.00 0.04 0.34 2.35 -1.08 0.00 0.00 179.45 181.10 1jus h TRP 61 N 0.06 0.83 -0.16 -1.35 2.91 -1.21 -0.75 115.95 116.27 1jus h TRP 61 Ca 0.16 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.13 1jus h TRP 61 Cb 0.22 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 1jus h TRP 61 CO -0.26 0.59 -0.04 0.37 -1.03 0.00 0.00 178.44 178.08 1jus h GLN 62 N 0.82 0.24 -0.05 2.65 5.75 -0.71 -0.86 115.11 122.95 1jus h GLN 62 Ca 0.21 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.55 1jus h GLN 62 Cb 0.04 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.55 1jus h GLN 62 CO -0.03 0.30 -0.44 1.49 -2.65 0.00 0.00 178.83 177.49 1jus h GLU 63 N 0.23 0.39 -0.54 1.69 4.81 -0.74 -2.44 114.58 117.98 1jus h GLU 63 Ca 0.05 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1jus h GLU 63 Cb 0.23 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1jus h GLU 63 CO 0.01 1.00 0.35 0.37 -0.73 0.00 0.00 179.01 180.02 1jus h GLN 64 N -0.10 0.70 -0.81 1.92 4.15 -0.72 -1.54 115.11 118.69 1jus h GLN 64 Ca -0.04 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1jus h GLN 64 Cb 1.12 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.61 1jus h GLN 64 CO 0.09 0.46 0.46 2.35 -1.93 0.00 0.00 178.83 180.26 1jus h TRP 65 N 0.72 1.10 -0.32 3.99 2.91 -1.19 -1.77 115.95 121.39 1jus h TRP 65 Ca 0.20 -0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.10 1jus h TRP 65 Cb -0.06 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.22 1jus h TRP 65 CO -0.04 0.76 -0.23 0.87 -1.03 0.00 0.00 178.44 178.76 1jus h LYS 66 N 1.13 0.63 0.00 2.65 1.57 -1.07 0.30 116.57 121.78 1jus h LYS 66 Ca 0.29 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jus h LYS 66 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1jus h LYS 66 CO -0.05 0.81 0.00 1.63 -0.57 0.00 0.00 179.45 181.27 1jus n LYS 67 N -4.12 0.72 0.00 3.15 5.02 -0.61 -3.55 118.16 118.77 1jus n LYS 67 Ca -0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1jus n LYS 67 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1jus n LYS 67 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jus n GLU 68 N -1.09 2.58 0.00 1.97 1.02 -0.71 -4.67 120.64 119.73 1jus n GLU 68 Ca 0.18 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1jus n GLU 68 Cb 0.13 -0.76 0.37 0.00 -0.02 0.00 0.00 31.44 31.16 1jus n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jus n GLN 69 N -1.15 0.05 0.26 3.49 10.64 0.98 -2.48 117.38 129.16 1jus n GLN 69 Ca 0.00 0.19 0.11 0.00 -1.83 0.00 0.00 57.00 55.47 1jus n GLN 69 Cb 0.00 -1.50 0.69 0.00 -0.86 0.00 0.00 30.24 28.57 1jus n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1jus h ILE 70 N 0.00 0.70 0.00 -0.39 2.04 -1.83 -1.65 117.51 116.38 1jus h ILE 70 Ca 0.00 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1jus h ILE 70 Cb 0.26 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1jus h ILE 70 CO 0.00 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.56 1jus n LYS 71 N -3.82 0.86 -3.90 2.37 5.02 -1.04 -4.45 118.16 113.19 1jus n LYS 71 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 1jus n LYS 71 Cb 0.23 -1.07 -0.15 0.00 -0.02 0.00 0.00 35.03 34.01 1jus n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jus s ALA 72 N -2.00 2.25 0.10 7.82 0.00 -0.62 -5.02 121.76 124.29 1jus s ALA 72 Ca 0.06 -2.02 -0.25 0.00 0.00 0.00 0.00 51.96 49.75 1jus s ALA 72 Cb 0.03 -1.75 -0.11 0.00 0.00 0.00 0.00 23.12 21.29 1jus s ALA 72 CO 0.05 -1.59 1.68 0.87 0.00 0.00 0.00 175.76 176.77 1jus h LYS 73 N 7.84 -0.27 -6.12 0.00 6.56 -1.84 -3.43 116.57 119.31 1jus h LYS 73 Ca -0.10 0.02 -0.51 0.00 -1.06 0.00 0.00 60.65 59.00 1jus h LYS 73 Cb 1.03 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.73 1jus h LYS 73 CO 0.48 -0.18 -0.45 0.95 -2.06 0.00 0.00 179.45 178.19 1jus s THR 74 N -6.14 5.29 0.32 -0.16 -4.23 -1.26 -5.00 115.64 104.46 1jus s THR 74 Ca -0.15 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1jus s THR 74 Cb 0.07 -3.79 0.18 0.00 1.34 0.00 0.00 72.50 70.30 1jus s THR 74 CO 0.66 -0.20 1.88 0.78 -0.54 0.00 0.00 174.62 177.20 1jus h ASN 75 N 1.71 0.65 -0.51 3.99 4.21 -1.92 -1.41 115.58 122.30 1jus h ASN 75 Ca -0.50 -0.10 0.09 0.00 1.21 0.00 0.00 56.30 57.01 1jus h ASN 75 Cb 1.21 -0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 38.16 1jus h ASN 75 CO 0.65 0.63 0.06 -0.09 -1.29 0.00 0.00 177.43 177.39 1jus h ARG 76 N 0.70 0.17 -0.82 0.81 2.43 -1.94 0.21 114.38 115.94 1jus h ARG 76 Ca 0.16 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1jus h ARG 76 Cb 0.23 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1jus h ARG 76 CO -0.01 0.11 0.35 0.93 -1.51 0.00 0.00 179.97 179.85 1jus h GLU 77 N 0.18 1.20 -0.68 0.20 5.08 -1.72 -2.27 114.58 116.57 1jus h GLU 77 Ca 0.26 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1jus h GLU 77 Cb 0.37 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1jus h GLU 77 CO -0.37 0.96 0.45 0.87 -1.00 0.00 0.00 179.01 179.91 1jus h LYS 78 N 1.18 0.88 0.69 2.33 1.57 0.17 0.30 116.57 123.69 1jus h LYS 78 Ca 0.27 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1jus h LYS 78 Cb 0.18 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.30 1jus h LYS 78 CO -0.03 0.58 -0.33 0.35 -0.57 0.00 0.00 179.45 179.46 1jus h PHE 79 N 0.91 -0.85 -0.81 -1.35 3.57 -0.17 -0.64 116.94 117.59 1jus h PHE 79 Ca 0.25 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.91 1jus h PHE 79 Cb -0.07 0.28 -0.15 0.00 2.79 0.00 0.00 35.95 38.80 1jus h PHE 79 CO -0.00 -0.53 -0.13 1.88 -2.23 0.00 0.00 178.31 177.30 1jus h TYR 80 N -0.97 -0.29 0.24 0.41 0.05 -0.97 -2.37 116.97 113.08 1jus h TYR 80 Ca -0.09 0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1jus h TYR 80 Cb 0.71 0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1jus h TYR 80 CO 0.06 -0.33 -0.12 1.25 -1.05 0.00 0.00 178.16 177.98 1jus h LEU 81 N 0.03 -0.27 -0.66 3.88 5.85 -0.30 -1.78 115.31 122.06 1jus h LEU 81 Ca 0.42 -0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.13 1jus h LEU 81 Cb 0.69 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1jus h LEU 81 CO -0.80 -0.03 0.20 0.22 -0.34 0.00 0.00 178.44 177.68 1jus h TYR 82 N -0.51 0.32 -0.35 1.25 3.20 -0.80 0.34 116.97 120.42 1jus h TYR 82 Ca -0.03 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1jus h TYR 82 Cb 0.38 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1jus h TYR 82 CO -0.01 0.01 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.51 1jus h ASN 83 N 0.33 0.58 0.11 -2.11 -0.26 -1.39 -0.76 115.58 112.09 1jus h ASN 83 Ca 0.35 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 1jus h ASN 83 Cb 0.52 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1jus h ASN 83 CO -0.40 0.72 -0.05 -0.33 -1.06 0.00 0.00 177.43 176.31 1jus h GLU 84 N 0.55 -0.15 -0.78 0.81 5.08 0.04 -3.14 114.58 116.99 1jus h GLU 84 Ca 0.10 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1jus h GLU 84 Cb 0.50 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1jus h GLU 84 CO 0.03 0.26 0.51 -0.07 -1.00 0.00 0.00 179.01 178.74 1jus h LEU 85 N -0.60 0.67 -1.19 1.33 -0.00 -0.34 -1.38 115.31 113.81 1jus h LEU 85 Ca -0.02 0.01 0.34 0.00 -0.00 0.00 0.00 57.88 58.22 1jus h LEU 85 Cb 0.47 -0.13 -0.13 0.00 -0.00 0.00 0.00 40.66 40.87 1jus h LEU 85 CO 0.03 0.41 0.67 0.28 -0.00 0.00 0.00 178.44 179.83 1jus h SER 86 N 0.75 0.43 0.71 -0.43 0.02 -1.08 0.50 113.55 114.44 1jus h SER 86 Ca 0.35 0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.37 1jus h SER 86 Cb 0.38 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1jus h SER 86 CO -0.13 -0.10 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.00 1jus h LEU 87 N 0.28 0.00 0.00 5.07 3.38 -1.34 -3.37 115.31 119.33 1jus h LEU 87 Ca 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.69 1jus h LEU 87 Cb 1.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1jus h LEU 87 CO -0.49 0.39 -1.57 0.35 0.09 0.00 0.00 178.44 177.21 1jus n THR 88 N -3.65 0.05 -0.71 0.22 -2.24 0.16 -5.04 114.28 103.06 1jus n THR 88 Ca -0.01 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 1jus n THR 88 Cb 0.49 0.17 0.11 0.00 -2.10 0.00 0.00 70.33 68.99 1jus n THR 88 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jus n THR 89 N -1.95 0.00 0.17 4.28 -1.04 -0.58 -4.91 114.28 110.24 1jus n THR 89 Ca -0.03 -0.10 0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1jus n THR 89 Cb 0.35 -0.34 0.01 0.00 -1.82 0.00 0.00 70.33 68.53 1jus n THR 89 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1jus n GLU 90 N -0.34 0.67 -3.87 -2.82 0.00 -1.26 -4.91 120.64 108.12 1jus n GLU 90 Ca 0.02 -0.61 -0.35 0.00 0.00 0.00 0.00 57.16 56.22 1jus n GLU 90 Cb 0.49 -1.00 -0.05 0.00 0.00 0.00 0.00 31.44 30.87 1jus n GLU 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1jus s TYR 91 N -0.51 3.58 0.00 -1.84 4.12 -1.26 -4.68 117.35 116.76 1jus s TYR 91 Ca 0.04 0.47 0.00 0.00 0.02 0.00 0.00 57.07 57.60 1jus s TYR 91 Cb 0.03 -1.91 0.00 0.00 -1.52 0.00 0.00 41.96 38.56 1jus s TYR 91 CO 0.07 0.68 0.00 0.98 0.02 0.00 0.00 175.55 177.30 1jus n TYR 92 N 1.44 0.00 -0.36 2.71 4.19 -1.25 -4.27 117.16 119.62 1jus n TYR 92 Ca -0.15 0.00 0.09 0.00 3.31 0.00 0.00 57.90 61.15 1jus n TYR 92 Cb 0.54 0.00 0.27 0.00 0.49 0.00 0.00 39.34 40.63 1jus n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jus h TYR 93 N 0.00 1.11 -0.66 2.98 0.05 -1.91 -2.41 116.97 116.14 1jus h TYR 93 Ca 0.00 0.03 0.19 0.00 0.05 0.00 0.00 58.73 59.00 1jus h TYR 93 Cb 0.00 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.36 1jus h TYR 93 CO 0.00 0.39 0.47 -1.35 -1.05 0.00 0.00 178.16 176.63 1jus h PRO 94 N 0.93 0.00 -1.24 4.88 0.11 -1.84 -2.37 132.00 132.48 1jus h PRO 94 Ca 0.52 -0.00 -0.62 0.00 0.11 0.00 0.00 66.00 66.00 1jus h PRO 94 Cb 0.60 -0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.33 1jus h PRO 94 CO -0.29 0.00 -0.17 1.47 -0.21 0.00 0.00 178.00 178.80 1jus n LEU 95 N -4.34 5.80 0.13 2.35 -0.00 -0.90 -4.45 117.00 115.58 1jus n LEU 95 Ca 0.13 -4.82 0.04 0.00 -0.00 0.00 0.00 56.01 51.35 1jus n LEU 95 Cb 0.73 -0.61 0.02 0.00 -0.00 0.00 0.00 43.42 43.56 1jus n LEU 95 CO 0.38 1.97 0.34 -0.61 -0.00 0.00 0.00 177.39 179.47 1jus h GLN 96 N 2.40 0.00 0.03 1.47 5.75 -1.53 -2.97 115.11 120.26 1jus h GLN 96 Ca 0.43 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.70 1jus h GLN 96 Cb 0.97 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.52 1jus h GLN 96 CO 1.05 0.37 -0.99 -0.91 -2.65 0.00 0.00 178.83 175.70 1jus h ASN 97 N 0.00 0.40 0.92 -0.69 2.35 -1.81 -2.61 115.58 114.14 1jus h ASN 97 Ca -0.03 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.28 1jus h ASN 97 Cb 1.35 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1jus h ASN 97 CO 0.05 1.18 -0.41 0.00 -1.65 0.00 0.00 177.43 176.60 1jus h ALA 98 N 0.78 0.94 -0.39 -0.83 0.00 -1.86 -2.48 119.26 115.42 1jus h ALA 98 Ca -0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1jus h ALA 98 Cb 1.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1jus h ALA 98 CO 0.16 0.52 -0.21 0.82 0.00 0.00 0.00 179.25 180.54 1jus h ILE 99 N 0.00 1.28 -0.58 0.00 2.04 -1.39 0.20 117.51 119.05 1jus h ILE 99 Ca -0.00 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.58 1jus h ILE 99 Cb 0.98 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 1jus h ILE 99 CO 0.05 0.45 0.27 0.40 0.00 0.00 0.00 178.15 179.32 1jus h ILE 100 N 0.63 0.88 0.03 -0.67 2.04 -1.07 0.31 117.51 119.67 1jus h ILE 100 Ca 0.08 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1jus h ILE 100 Cb 0.76 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1jus h ILE 100 CO 0.06 0.09 -0.02 -0.33 0.00 0.00 0.00 178.15 177.96 1jus h GLU 101 N 0.50 -0.04 -0.74 2.37 5.08 -1.29 -2.84 114.58 117.62 1jus h GLU 101 Ca 0.27 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.84 1jus h GLU 101 Cb 0.24 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.37 1jus h GLU 101 CO -0.22 -0.03 0.02 0.34 -1.00 0.00 0.00 179.01 178.12 1jus n PHE 102 N -2.12 0.48 0.26 4.33 -0.00 0.04 -0.50 117.46 119.95 1jus n PHE 102 Ca -0.01 0.89 -0.15 0.00 -0.00 0.00 0.00 57.45 58.19 1jus n PHE 102 Cb 0.02 -1.06 -0.08 0.00 -0.00 0.00 0.00 39.48 38.36 1jus n PHE 102 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1jus h TYR 103 N 0.00 -0.63 -0.71 -5.13 5.03 -0.92 -1.33 116.97 113.27 1jus h TYR 103 Ca 0.45 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.92 1jus h TYR 103 Cb 0.94 0.21 -0.04 0.00 1.55 0.00 0.00 36.73 39.39 1jus h TYR 103 CO -0.37 -0.31 0.49 1.79 -1.32 0.00 0.00 178.16 178.44 1jus h THR 104 N -0.95 0.74 -0.00 1.81 1.35 -0.54 0.69 112.91 116.00 1jus h THR 104 Ca -0.07 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1jus h THR 104 Cb 0.61 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1jus h THR 104 CO 0.11 0.04 -0.39 -0.62 -0.25 0.00 0.00 175.52 174.42 1jus n GLU 105 N -4.43 0.36 -0.48 4.72 1.02 0.10 -3.94 120.64 117.99 1jus n GLU 105 Ca 0.14 -0.21 0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1jus n GLU 105 Cb 0.62 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1jus n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jus n TYR 106 N -1.14 0.00 1.35 -0.32 0.53 -0.52 -4.93 117.16 112.14 1jus n TYR 106 Ca 0.08 -0.19 0.06 0.00 -1.02 0.00 0.00 57.90 56.83 1jus n TYR 106 Cb 0.34 -0.07 0.34 0.00 -1.03 0.00 0.00 39.34 38.91 1jus n TYR 106 CO 0.00 0.00 0.00 2.48 -1.02 0.00 0.00 176.86 178.32 1jus n TYR 107 N -0.22 0.00 -1.03 -0.72 4.11 0.23 -3.67 117.16 115.87 1jus n TYR 107 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.01 1jus n TYR 107 Cb 0.71 0.00 0.24 0.00 -0.00 0.00 0.00 39.34 40.29 1jus n TYR 107 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1jus n LYS 108 N -0.76 2.62 -4.13 -3.48 5.02 -1.26 -4.95 118.16 111.21 1jus n LYS 108 Ca 0.09 -2.82 -0.35 0.00 -2.02 0.00 0.00 58.31 53.21 1jus n LYS 108 Cb 0.04 -1.79 -0.12 0.00 -0.02 0.00 0.00 35.03 33.14 1jus n LYS 108 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jus s THR 109 N -2.86 4.05 -1.63 -0.18 -4.23 -1.24 -4.96 115.64 104.60 1jus s THR 109 Ca 0.41 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1jus s THR 109 Cb 0.33 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1jus s THR 109 CO 0.08 0.44 0.20 -3.20 -0.54 0.00 0.00 174.62 171.60 1jus n ASN 110 N 4.03 0.09 -0.28 3.99 4.05 -1.26 0.18 115.26 126.06 1jus n ASN 110 Ca -0.17 -0.50 0.11 0.00 0.45 0.00 0.00 54.58 54.47 1jus n ASN 110 Cb 0.52 -0.05 0.03 0.00 1.23 0.00 0.00 39.78 41.52 1jus n ASN 110 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jus n SER 111 N -0.18 1.48 0.01 1.20 2.88 -1.26 -4.48 113.62 113.28 1jus n SER 111 Ca 0.00 -1.19 -0.13 0.00 -1.33 0.00 0.00 58.87 56.22 1jus n SER 111 Cb 0.02 0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 1jus n SER 111 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1jus h ILE 112 N 1.38 0.14 0.00 2.46 1.08 0.16 -2.64 117.51 120.10 1jus h ILE 112 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jus h ILE 112 Cb 0.63 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1jus h ILE 112 CO 0.00 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.05 1jus n ASN 113 N -5.44 0.00 0.00 1.72 3.02 -1.26 -4.55 115.26 108.75 1jus n ASN 113 Ca -0.05 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1jus n ASN 113 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1jus n ASN 113 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1jus n GLU 114 N -0.97 0.00 0.00 3.52 0.00 -0.99 -2.55 120.64 119.64 1jus n GLU 114 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1jus n GLU 114 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 31.44 31.49 1jus n GLU 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1jus n LYS 115 N 0.00 0.00 0.00 5.31 5.02 -1.26 -0.69 118.16 126.54 1jus n LYS 115 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jus n LYS 115 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1jus n LYS 115 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jus n ASN 117 N 2.28 0.00 -0.31 4.39 5.15 -1.06 -1.85 115.26 123.87 1jus n ASN 117 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1jus n ASN 117 Cb 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 1jus n ASN 117 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1jus h LYS 118 N 0.00 1.01 -0.05 1.20 3.64 -1.13 -2.52 116.57 118.72 1jus h LYS 118 Ca 0.00 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1jus h LYS 118 Cb 0.00 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1jus h LYS 118 CO 0.00 0.67 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.46 1jus h LEU 119 N 1.04 0.37 -0.94 5.20 3.38 -1.64 -3.15 115.31 119.56 1jus h LEU 119 Ca 0.34 -0.67 0.17 0.00 0.09 0.00 0.00 57.88 57.81 1jus h LEU 119 Cb 0.04 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 40.51 1jus h LEU 119 CO -0.13 0.98 -0.29 -0.62 0.09 0.00 0.00 178.44 178.48 1jus n GLU 120 N -4.44 -0.14 -0.07 1.13 -0.58 -0.98 0.68 120.64 116.25 1jus n GLU 120 Ca -0.09 1.47 -0.02 0.00 -0.42 0.00 0.00 57.16 58.10 1jus n GLU 120 Cb 0.51 -2.18 0.23 0.00 -0.57 0.00 0.00 31.44 29.42 1jus n GLU 120 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1jus h ASN 121 N 0.00 0.65 1.71 1.62 2.35 -1.52 -1.90 115.58 118.49 1jus h ASN 121 Ca 0.40 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1jus h ASN 121 Cb 0.64 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1jus h ASN 121 CO -0.96 0.69 -0.13 0.50 -1.65 0.00 0.00 177.43 175.88 1jus h LYS 122 N 0.66 0.00 0.00 0.81 3.64 0.29 -3.11 116.57 118.86 1jus h LYS 122 Ca 0.14 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.26 1jus h LYS 122 Cb 0.35 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1jus h LYS 122 CO 0.01 0.00 -1.55 -0.92 -2.27 0.00 0.00 179.45 174.72 1jus h TYR 123 N 0.00 0.00 -0.17 1.91 3.20 0.00 -3.34 116.97 118.58 1jus h TYR 123 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jus h TYR 123 Cb 0.92 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1jus h TYR 123 CO 0.00 0.91 0.00 0.44 -1.64 0.00 0.00 178.16 177.87 1jus n ILE 124 N -3.05 0.19 0.18 1.81 -5.35 -0.74 -4.55 119.36 107.85 1jus n ILE 124 Ca -0.13 -0.58 -0.14 0.00 -0.27 0.00 0.00 62.75 61.62 1jus n ILE 124 Cb 0.99 1.26 -0.07 0.00 -1.74 0.00 0.00 39.64 40.08 1jus n ILE 124 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1jus h ASP 125 N 4.53 -0.46 -0.97 7.28 3.58 -1.66 -2.17 116.42 126.55 1jus h ASP 125 Ca 0.00 0.03 0.21 0.00 0.42 0.00 0.00 57.03 57.69 1jus h ASP 125 Cb 0.98 0.14 -0.11 0.00 1.72 0.00 0.00 39.33 42.05 1jus h ASP 125 CO 0.00 -0.29 0.56 0.00 -2.88 0.00 0.00 179.24 176.63 1jus h ALA 126 N 0.25 1.64 -0.39 -0.78 0.00 -1.83 0.14 119.26 118.28 1jus h ALA 126 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jus h ALA 126 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jus h ALA 126 CO 0.02 -0.18 -0.21 1.88 0.00 0.00 0.00 179.25 180.77 1jus h TYR 127 N 0.63 0.95 -0.53 0.00 0.05 -1.84 -1.20 116.97 115.04 1jus h TYR 127 Ca 0.59 -0.24 0.04 0.00 0.05 0.00 0.00 58.73 59.17 1jus h TYR 127 Cb 1.02 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.50 1jus h TYR 127 CO -0.03 1.01 0.28 1.25 -1.05 0.00 0.00 178.16 179.61 1jus h HIS 128 N 0.63 0.51 0.81 4.88 2.76 -0.13 0.31 115.15 124.92 1jus h HIS 128 Ca 0.08 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1jus h HIS 128 Cb 0.76 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.58 1jus h HIS 128 CO 0.06 0.26 -0.39 0.28 -1.30 0.00 0.00 177.93 176.84 1jus h VAL 129 N 0.54 0.00 -0.76 5.26 2.07 -1.03 0.74 116.25 123.06 1jus h VAL 129 Ca 0.23 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.81 1jus h VAL 129 Cb 0.12 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.75 1jus h VAL 129 CO -0.15 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.53 1jus h ILE 130 N -1.16 0.13 -0.22 4.57 2.04 -0.92 0.50 117.51 122.45 1jus h ILE 130 Ca -0.11 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1jus h ILE 130 Cb 0.83 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1jus h ILE 130 CO 0.18 0.00 -0.23 -0.26 0.00 0.00 0.00 178.15 177.85 1jus h PHE 131 N -0.07 0.65 0.45 1.37 0.04 -0.95 0.22 116.94 118.65 1jus h PHE 131 Ca 0.31 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1jus h PHE 131 Cb 0.58 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1jus h PHE 131 CO -0.70 0.89 -0.42 -0.22 -0.60 0.00 0.00 178.31 177.25 1jus h LYS 132 N 0.23 -0.85 -0.25 1.51 1.63 0.08 0.44 116.57 119.36 1jus h LYS 132 Ca 0.03 0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1jus h LYS 132 Cb 0.78 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 1jus h LYS 132 CO 0.06 -0.57 0.09 1.49 -3.45 0.00 0.00 179.45 177.07 1jus h GLU 133 N -0.88 0.34 -0.03 1.90 4.57 -0.07 0.66 114.58 121.06 1jus h GLU 133 Ca -0.04 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 1jus h GLU 133 Cb 0.77 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1jus h GLU 133 CO -0.05 0.29 -0.47 0.78 -1.18 0.00 0.00 179.01 178.38 1jus h GLY 134 N 0.48 0.08 0.61 1.92 0.00 0.14 0.33 103.07 106.63 1jus h GLY 134 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jus h GLY 134 CO -0.01 0.07 -0.05 3.43 0.00 0.00 0.00 176.54 179.99 1jus h ASN 135 N 0.06 -0.11 0.09 0.19 2.35 0.21 0.34 115.58 118.70 1jus h ASN 135 Ca 0.00 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1jus h ASN 135 Cb 0.86 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 1jus h ASN 135 CO 0.06 0.28 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.89 1jus h LEU 136 N -0.53 -0.46 -0.05 1.61 4.07 -1.08 -1.27 115.31 117.60 1jus h LEU 136 Ca -0.01 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1jus h LEU 136 Cb 0.43 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1jus h LEU 136 CO 0.02 -0.24 0.00 -3.20 -1.08 0.00 0.00 178.44 173.94 1jus n ASN 137 N -5.29 0.02 -1.52 -0.43 5.15 0.11 -4.82 115.26 108.48 1jus n ASN 137 Ca -0.06 -0.63 -0.16 0.00 -0.60 0.00 0.00 54.58 53.13 1jus n ASN 137 Cb 0.21 -0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.39 1jus n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jus n GLY 138 N -0.16 1.35 0.06 8.20 0.00 -0.48 -4.82 105.19 109.33 1jus n GLY 138 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1jus n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jus n GLU 139 N -2.09 0.12 0.00 1.61 1.02 0.11 -4.91 120.64 116.50 1jus n GLU 139 Ca -0.16 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1jus n GLU 139 Cb 0.52 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1jus n GLU 139 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1jus n TRP 140 N -1.88 0.00 -3.81 -0.32 2.14 -1.23 -5.03 117.44 107.32 1jus n TRP 140 Ca 0.05 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.33 1jus n TRP 140 Cb 0.31 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.65 1jus n TRP 140 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1jus s SER 141 N 0.00 3.32 -0.39 -0.67 0.15 -1.26 -4.25 113.70 110.60 1jus s SER 141 Ca 0.00 -1.01 -0.02 0.00 0.70 0.00 0.00 55.95 55.62 1jus s SER 141 Cb 0.00 -0.82 0.10 0.00 -1.71 0.00 0.00 66.02 63.59 1jus s SER 141 CO 0.00 -0.29 0.17 -0.63 1.20 0.00 0.00 173.24 173.69 1jus s ILE 142 N 1.68 3.14 0.32 6.45 1.01 -1.26 -4.97 121.20 127.58 1jus s ILE 142 Ca -0.02 -2.02 0.01 0.00 0.00 0.00 0.00 60.65 58.62 1jus s ILE 142 Cb -0.18 -3.14 0.27 0.00 0.01 0.00 0.00 42.46 39.43 1jus s ILE 142 CO -0.09 -0.62 1.96 -0.55 0.00 0.00 0.00 174.94 175.65 1jus h ASN 143 N 7.99 0.84 -2.31 3.58 -0.00 -1.98 -3.29 115.58 120.41 1jus h ASN 143 Ca -0.13 -0.01 -0.64 0.00 -0.00 0.00 0.00 56.30 55.52 1jus h ASN 143 Cb 1.05 -0.20 -0.39 0.00 -0.00 0.00 0.00 38.32 38.78 1jus h ASN 143 CO 0.66 0.58 -0.32 -0.90 -0.00 0.00 0.00 177.43 177.45 1jus n ASP 144 N -4.45 4.61 -0.27 6.14 3.85 -1.26 -4.94 116.55 120.23 1jus n ASP 144 Ca 0.10 -3.54 0.08 0.00 -0.71 0.00 0.00 54.79 50.71 1jus n ASP 144 Cb 0.10 -0.74 0.20 0.00 -1.35 0.00 0.00 41.12 39.33 1jus n ASP 144 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1jus h VAL 145 N 3.06 0.36 -0.91 2.12 2.07 -1.99 -1.90 116.25 119.06 1jus h VAL 145 Ca 0.20 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1jus h VAL 145 Cb 0.58 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1jus h VAL 145 CO 0.92 0.03 0.52 -1.13 0.02 0.00 0.00 177.57 177.92 1jus h ASN 146 N 0.17 1.12 -0.09 0.57 -0.73 -1.94 -0.15 115.58 114.52 1jus h ASN 146 Ca 0.46 -0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.52 1jus h ASN 146 Cb 0.85 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 39.15 1jus h ASN 146 CO -0.63 0.88 -0.02 0.00 -0.37 0.00 0.00 177.43 177.29 1jus h ALA 147 N 1.28 0.13 -0.07 1.57 0.00 -1.79 -2.36 119.26 118.01 1jus h ALA 147 Ca 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1jus h ALA 147 Cb -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jus h ALA 147 CO -0.05 -0.14 -0.09 0.28 0.00 0.00 0.00 179.25 179.25 1jus h VAL 148 N -0.15 1.11 -0.10 0.00 2.07 -1.20 -0.54 116.25 117.44 1jus h VAL 148 Ca 0.02 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 1jus h VAL 148 Cb 0.43 1.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1jus h VAL 148 CO 0.01 0.14 -0.48 0.28 0.02 0.00 0.00 177.57 177.55 1jus h SER 149 N 0.10 0.60 -0.54 0.57 0.02 -0.94 -1.38 113.55 111.98 1jus h SER 149 Ca 0.02 -0.64 -0.03 0.00 -0.84 0.00 0.00 61.79 60.30 1jus h SER 149 Cb 0.22 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1jus h SER 149 CO 0.01 1.14 0.20 0.11 -1.14 0.00 0.00 176.83 177.15 1jus h LYS 150 N 0.09 0.81 0.62 3.45 1.57 -1.04 0.94 116.57 123.02 1jus h LYS 150 Ca -0.03 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1jus h LYS 150 Cb 1.12 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.31 1jus h LYS 150 CO 0.10 0.72 -0.30 0.82 -0.57 0.00 0.00 179.45 180.22 1jus h ILE 151 N 0.73 0.35 -0.33 1.86 2.04 -1.11 -1.37 117.51 119.68 1jus h ILE 151 Ca 0.18 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1jus h ILE 151 Cb 0.22 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 1jus h ILE 151 CO -0.01 0.02 -0.18 0.00 0.00 0.00 0.00 178.15 177.98 1jus h ALA 152 N -0.62 0.06 -0.12 1.87 0.00 -1.19 0.28 119.26 119.55 1jus h ALA 152 Ca -0.09 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1jus h ALA 152 Cb 0.67 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1jus h ALA 152 CO 0.14 -0.57 -0.25 0.00 0.00 0.00 0.00 179.25 178.58 1jus h ALA 153 N 1.09 -0.24 -0.35 0.00 0.00 -0.75 0.24 119.26 119.24 1jus h ALA 153 Ca 0.17 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1jus h ALA 153 Cb 0.39 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jus h ALA 153 CO -0.41 -0.71 -0.41 -0.91 0.00 0.00 0.00 179.25 176.81 1jus h ASN 154 N -0.32 0.94 -0.06 0.00 4.21 -0.74 -0.48 115.58 119.13 1jus h ASN 154 Ca 0.10 -0.44 0.01 0.00 1.21 0.00 0.00 56.30 57.18 1jus h ASN 154 Cb 0.46 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.39 1jus h ASN 154 CO -0.31 1.22 -0.01 0.00 -1.29 0.00 0.00 177.43 177.04 1jus h ALA 155 N 0.82 0.04 -0.44 -0.83 0.00 -0.26 -0.74 119.26 117.85 1jus h ALA 155 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jus h ALA 155 Cb 0.99 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1jus h ALA 155 CO 0.10 -0.49 0.26 0.28 0.00 0.00 0.00 179.25 179.40 1jus h VAL 156 N 0.00 1.14 -0.93 0.00 2.07 -0.86 -1.50 116.25 116.17 1jus h VAL 156 Ca 0.03 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1jus h VAL 156 Cb 0.04 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1jus h VAL 156 CO -0.06 0.14 0.60 -1.13 0.02 0.00 0.00 177.57 177.14 1jus h ASN 157 N 0.58 0.89 -0.71 0.57 -0.00 -0.77 -0.45 115.58 115.69 1jus h ASN 157 Ca 0.16 0.02 -0.06 0.00 -0.00 0.00 0.00 56.30 56.41 1jus h ASN 157 Cb 0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.13 1jus h ASN 157 CO -0.03 0.54 0.19 1.23 -0.00 0.00 0.00 177.43 179.36 1jus h GLY 158 N 0.99 1.20 1.31 1.57 0.00 -0.22 -0.03 103.07 107.90 1jus h GLY 158 Ca 0.43 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1jus h GLY 158 CO -0.18 0.69 -0.16 -2.22 0.00 0.00 0.00 176.54 174.67 1jus h ILE 159 N 1.06 1.26 -0.17 2.60 2.04 -0.18 -1.64 117.51 122.48 1jus h ILE 159 Ca 0.22 -1.26 -0.14 0.00 1.00 0.00 0.00 64.86 64.69 1jus h ILE 159 Cb 0.35 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1jus h ILE 159 CO -0.00 0.43 -0.44 0.58 0.00 0.00 0.00 178.15 178.72 1jus h VAL 160 N 0.72 1.34 -0.07 1.67 2.07 -0.96 -3.28 116.25 117.73 1jus h VAL 160 Ca 0.11 -1.69 -0.12 0.00 0.82 0.00 0.00 66.70 65.82 1jus h VAL 160 Cb 0.67 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1jus h VAL 160 CO 0.05 0.52 -0.41 0.74 0.02 0.00 0.00 177.57 178.48 1jus h THR 161 N 0.25 1.41 -0.06 2.57 2.02 -0.99 -3.37 112.91 114.74 1jus h THR 161 Ca -0.01 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1jus h THR 161 Cb 1.05 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1jus h THR 161 CO 0.09 0.53 0.00 0.49 0.37 0.00 0.00 175.52 177.00 1jus n PHE 162 N -4.34 0.07 -1.76 3.16 3.72 -0.62 -3.85 117.46 113.84 1jus n PHE 162 Ca -0.09 -0.03 -0.09 0.00 -0.05 0.00 0.00 57.45 57.19 1jus n PHE 162 Cb 0.56 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.22 1jus n PHE 162 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jus n THR 163 N 0.09 2.42 0.51 4.37 -2.24 -1.24 -4.86 114.28 113.33 1jus n THR 163 Ca 0.18 -3.62 0.00 0.00 -2.27 0.00 0.00 64.05 58.35 1jus n THR 163 Cb 0.32 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1jus n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jus n HIS 164 N -0.94 0.00 0.00 4.78 -0.00 -1.25 -3.66 115.22 114.16 1jus n HIS 164 Ca 0.32 -0.38 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1jus n HIS 164 Cb 0.84 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 1jus n HIS 164 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1jus n GLU 165 N 0.82 0.00 -1.66 1.57 -0.00 -1.26 -5.08 120.64 115.04 1jus n GLU 165 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.76 1jus n GLU 165 Cb 0.33 -0.30 0.02 0.00 -0.00 0.00 0.00 31.44 31.49 1jus n GLU 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jus n GLN 166 N -2.20 1.54 -1.52 3.44 0.00 -1.24 -4.81 117.38 112.58 1jus n GLN 166 Ca 0.00 0.55 -0.48 0.00 0.00 0.00 0.00 57.00 57.08 1jus n GLN 166 Cb 0.09 -2.24 -0.03 0.00 0.00 0.00 0.00 30.24 28.06 1jus n GLN 166 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1jus n ASN 167 N 0.08 0.40 -0.32 2.61 6.94 -1.26 -4.73 115.26 118.98 1jus n ASN 167 Ca 0.09 1.15 0.14 0.00 -0.02 0.00 0.00 54.58 55.95 1jus n ASN 167 Cb 0.41 -1.14 0.30 0.00 -2.36 0.00 0.00 39.78 36.99 1jus n ASN 167 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1jus h ILE 168 N 1.90 0.12 0.00 1.53 6.09 -1.97 -0.74 117.51 124.45 1jus h ILE 168 Ca -0.37 -0.02 -0.07 0.00 -1.37 0.00 0.00 64.86 63.03 1jus h ILE 168 Cb 1.38 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.71 1jus h ILE 168 CO 0.62 0.01 -0.32 -1.13 -3.07 0.00 0.00 178.15 174.27 1jus h ASN 169 N 0.06 0.00 -0.15 2.19 -0.00 -2.00 -2.31 115.58 113.37 1jus h ASN 169 Ca 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.88 1jus h ASN 169 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.54 1jus h ASN 169 CO -0.83 0.32 0.06 -0.08 -0.00 0.00 0.00 177.43 176.90 1jus h GLU 170 N 0.00 0.23 -0.22 6.67 4.81 -1.46 -2.47 114.58 122.14 1jus h GLU 170 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1jus h GLU 170 Cb 0.69 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.96 1jus h GLU 170 CO 0.04 0.33 -0.38 0.00 -0.73 0.00 0.00 179.01 178.28 1jus h ARG 171 N 0.08 -0.38 -1.01 1.92 2.47 -1.38 0.91 114.38 117.00 1jus h ARG 171 Ca 0.05 0.03 0.24 0.00 -1.26 0.00 0.00 59.98 59.03 1jus h ARG 171 Cb 0.19 0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 28.50 1jus h ARG 171 CO -0.00 -0.25 0.64 0.82 0.56 0.00 0.00 179.97 181.73 1jus h ILE 172 N -0.40 0.59 0.15 2.04 1.08 -1.28 -2.36 117.51 117.33 1jus h ILE 172 Ca 0.11 -0.17 -0.22 0.00 -0.39 0.00 0.00 64.86 64.19 1jus h ILE 172 Cb 0.58 0.06 0.03 0.00 -3.07 0.00 0.00 36.82 34.41 1jus h ILE 172 CO -0.44 0.09 -0.97 0.11 -0.69 0.00 0.00 178.15 176.25 1jus h LYS 173 N 0.49 0.39 -2.00 2.37 1.79 -0.45 -2.26 116.57 116.91 1jus h LYS 173 Ca 0.58 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1jus h LYS 173 Cb 1.30 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1jus h LYS 173 CO -0.31 1.28 0.00 1.28 -1.08 0.00 0.00 179.45 180.62 1jus n LEU 174 N -4.02 0.00 0.00 2.94 4.77 0.04 -1.45 117.00 119.28 1jus n LEU 174 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1jus n LEU 174 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1jus n LEU 174 CO 0.52 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.17 1jus n ASN 176 N 1.09 0.00 -0.14 -1.43 3.02 -0.85 -0.95 115.26 115.99 1jus n ASN 176 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1jus n ASN 176 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1jus n ASN 176 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1jus h LYS 177 N 0.00 0.95 0.44 3.52 1.63 -1.55 -1.66 116.57 119.91 1jus h LYS 177 Ca 0.00 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.36 1jus h LYS 177 Cb 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1jus h LYS 177 CO 0.00 1.08 -0.21 0.35 -3.45 0.00 0.00 179.45 177.22 1jus h PHE 178 N 0.81 -0.55 -0.99 1.91 3.57 -1.31 -0.34 116.94 120.05 1jus h PHE 178 Ca 0.10 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.82 1jus h PHE 178 Cb 0.82 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.66 1jus h PHE 178 CO 0.05 -0.29 0.64 0.77 -2.23 0.00 0.00 178.31 177.25 1jus h SER 179 N -0.70 0.47 0.54 0.41 0.02 -1.80 0.11 113.55 112.60 1jus h SER 179 Ca -0.06 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1jus h SER 179 Cb 0.51 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.04 1jus h SER 179 CO 0.10 0.14 -0.26 -0.61 -1.14 0.00 0.00 176.83 175.06 1jus h GLN 180 N 0.44 -0.70 -0.72 3.45 -0.00 -0.91 -2.36 115.11 114.32 1jus h GLN 180 Ca 0.55 0.05 0.12 0.00 -0.00 0.00 0.00 58.65 59.37 1jus h GLN 180 Cb 1.32 0.16 -0.09 0.00 0.00 0.00 0.00 27.48 28.88 1jus h GLN 180 CO -0.26 -0.46 0.29 0.82 0.00 0.00 0.00 178.83 179.22 1jus h ILE 181 N -1.06 0.71 0.83 2.39 2.04 -0.38 -0.78 117.51 121.26 1jus h ILE 181 Ca -0.07 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1jus h ILE 181 Cb 0.55 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1jus h ILE 181 CO 0.12 0.08 -0.45 0.15 0.00 0.00 0.00 178.15 178.06 1jus h PHE 182 N 0.46 -1.18 -0.69 1.37 3.57 -0.84 -1.62 116.94 118.00 1jus h PHE 182 Ca 0.38 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.96 1jus h PHE 182 Cb 0.53 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 1jus h PHE 182 CO -0.16 -0.70 0.46 -0.07 -2.23 0.00 0.00 178.31 175.61 1jus h LEU 183 N -1.18 0.50 -1.70 0.59 3.38 -1.26 0.15 115.31 115.80 1jus h LEU 183 Ca -0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1jus h LEU 183 Cb 0.92 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1jus h LEU 183 CO 0.15 0.30 -0.18 -1.13 0.09 0.00 0.00 178.44 177.67 1jus h ASN 184 N 0.56 0.00 0.80 -0.43 -1.24 -0.81 -1.54 115.58 112.92 1jus h ASN 184 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.33 1jus h ASN 184 Cb 0.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1jus h ASN 184 CO -0.10 0.18 -0.01 0.61 -1.29 0.00 0.00 177.43 176.81 1jus n GLY 185 N -0.86 -1.40 0.36 1.57 0.00 0.52 -2.96 105.19 102.41 1jus n GLY 185 Ca -0.02 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1jus n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jus n LEU 186 N -1.40 1.19 0.00 0.99 4.77 -0.58 -5.10 117.00 116.87 1jus n LEU 186 Ca 0.10 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1jus n LEU 186 Cb 0.30 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1jus n LEU 186 CO 0.26 0.21 0.06 -1.54 -1.33 0.00 0.00 177.39 175.04