#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jus h LEU 3 N 0.00 0.83 -0.03 1.20 5.85 -1.98 0.88 115.31 122.06 1jus h LEU 3 Ca 0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1jus h LEU 3 Cb 0.00 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1jus h LEU 3 CO 0.00 1.03 0.00 0.50 -0.34 0.00 0.00 178.44 179.63 1jus h LYS 4 N 0.70 0.01 -0.83 1.25 3.64 -1.99 0.05 116.57 119.40 1jus h LYS 4 Ca 0.09 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1jus h LYS 4 Cb 0.77 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 1jus h LYS 4 CO 0.06 0.01 0.55 -0.44 -2.27 0.00 0.00 179.45 177.36 1jus h ASP 5 N 0.02 0.89 0.13 4.20 3.32 -1.87 -1.47 116.42 121.63 1jus h ASP 5 Ca 0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1jus h ASP 5 Cb 0.01 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1jus h ASP 5 CO -0.02 0.61 -0.06 0.50 -1.72 0.00 0.00 179.24 178.55 1jus h LYS 6 N 1.03 -0.17 -0.20 3.56 3.64 0.15 -1.08 116.57 123.49 1jus h LYS 6 Ca 0.33 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1jus h LYS 6 Cb 0.03 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1jus h LYS 6 CO -0.10 -0.11 -0.13 0.82 -2.27 0.00 0.00 179.45 177.66 1jus h ILE 7 N -0.19 0.61 -0.20 2.00 2.04 -0.42 0.16 117.51 121.51 1jus h ILE 7 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1jus h ILE 7 Cb 0.15 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1jus h ILE 7 CO 0.03 0.00 -0.08 -0.07 0.00 0.00 0.00 178.15 178.03 1jus h LEU 8 N -0.13 -0.26 0.08 1.44 3.38 -1.13 0.27 115.31 118.96 1jus h LEU 8 Ca 0.12 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1jus h LEU 8 Cb 0.30 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1jus h LEU 8 CO -0.28 -0.10 -0.12 1.23 0.09 0.00 0.00 178.44 179.26 1jus h GLY 9 N -0.04 -0.22 1.01 0.83 0.00 -0.62 0.99 103.07 105.02 1jus h GLY 9 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1jus h GLY 9 CO -0.23 -0.12 0.49 -2.08 0.00 0.00 0.00 176.54 174.59 1jus h VAL 10 N -0.25 1.20 -0.57 4.60 2.07 -0.44 -2.61 116.25 120.24 1jus h VAL 10 Ca 0.02 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1jus h VAL 10 Cb 0.26 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1jus h VAL 10 CO -0.06 0.20 0.10 0.00 0.02 0.00 0.00 177.57 177.83 1jus h ALA 11 N 1.27 0.76 -0.23 1.67 0.00 -0.19 -1.25 119.26 121.28 1jus h ALA 11 Ca 0.28 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jus h ALA 11 Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1jus h ALA 11 CO -0.06 0.50 0.04 -0.22 0.00 0.00 0.00 179.25 179.51 1jus h LYS 12 N 0.84 0.13 -0.18 0.00 3.64 -0.45 0.19 116.57 120.74 1jus h LYS 12 Ca 0.17 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1jus h LYS 12 Cb 0.40 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1jus h LYS 12 CO 0.01 0.08 -0.28 1.05 -2.27 0.00 0.00 179.45 178.05 1jus h GLU 13 N 0.13 0.34 -0.53 1.90 4.11 -1.39 -0.64 114.58 118.50 1jus h GLU 13 Ca 0.11 -0.13 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 1jus h GLU 13 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1jus h GLU 13 CO -0.15 0.60 0.16 1.25 0.07 0.00 0.00 179.01 180.94 1jus h LEU 14 N 0.30 0.79 -0.60 3.06 5.85 -0.41 -1.95 115.31 122.36 1jus h LEU 14 Ca 0.04 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1jus h LEU 14 Cb 0.65 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1jus h LEU 14 CO 0.05 0.79 0.14 -0.26 -0.34 0.00 0.00 178.44 178.81 1jus h PHE 15 N 0.74 1.01 0.46 1.25 0.05 -0.12 -1.65 116.94 118.68 1jus h PHE 15 Ca 0.17 -0.12 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 1jus h PHE 15 Cb 0.29 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 1jus h PHE 15 CO 0.02 0.86 -0.30 0.82 -0.18 0.00 0.00 178.31 179.53 1jus h ILE 16 N 0.87 0.38 -0.26 -0.55 2.04 -0.84 0.67 117.51 119.82 1jus h ILE 16 Ca 0.19 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 1jus h ILE 16 Cb 0.37 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1jus h ILE 16 CO 0.00 0.00 -0.00 0.50 0.00 0.00 0.00 178.15 178.65 1jus h LYS 17 N -0.73 0.46 -0.00 2.37 3.64 -1.36 -3.35 116.57 117.60 1jus h LYS 17 Ca -0.05 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1jus h LYS 17 Cb 0.61 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1jus h LYS 17 CO 0.04 0.63 -0.63 0.09 -2.27 0.00 0.00 179.45 177.32 1jus n ASN 18 N -4.62 0.88 0.00 4.20 3.02 -0.63 -5.11 115.26 113.00 1jus n ASN 18 Ca -0.03 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1jus n ASN 18 Cb 0.25 0.90 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 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 1.31 -0.80 0.24 7.41 0.00 0.23 -4.22 105.19 109.36 1jus n GLY 19 Ca 0.04 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.50 0.00 1.61 3.20 -1.80 -2.81 116.97 116.67 1jus h TYR 20 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1jus h TYR 20 Cb 0.00 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1jus h TYR 20 CO 0.00 -0.28 -0.37 -0.91 -1.64 0.00 0.00 178.16 174.96 1jus h ASN 21 N -0.60 0.00 0.23 -2.11 2.35 -1.93 -3.28 115.58 110.24 1jus h ASN 21 Ca -0.06 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.38 1jus h ASN 21 Cb 0.45 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.85 1jus h ASN 21 CO 0.09 0.37 -1.39 0.00 -1.65 0.00 0.00 177.43 174.86 1jus h ALA 22 N 1.63 -0.12 -2.27 -0.83 0.00 -1.73 -3.45 119.26 112.48 1jus h ALA 22 Ca -0.00 -0.86 -0.58 0.00 0.00 0.00 0.00 54.91 53.46 1jus h ALA 22 Cb 0.70 0.20 0.06 0.00 0.00 0.00 0.00 17.79 18.74 1jus h ALA 22 CO 0.05 0.66 0.77 2.41 0.00 0.00 0.00 179.25 183.14 1jus n THR 23 N -3.79 0.12 -4.20 0.00 -1.04 -1.06 -4.99 114.28 99.32 1jus n THR 23 Ca -0.17 -0.03 -0.28 0.00 -2.04 0.00 0.00 64.05 61.53 1jus n THR 23 Cb 1.05 -1.51 -0.08 0.00 -1.82 0.00 0.00 70.33 67.96 1jus n THR 23 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1jus s THR 24 N 0.77 3.63 0.14 12.58 -4.23 -1.26 -5.00 115.64 122.28 1jus s THR 24 Ca 0.77 -1.33 0.27 0.00 -1.18 0.00 0.00 61.69 60.22 1jus s THR 24 Cb -0.68 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 70.67 1jus s THR 24 CO 0.40 -0.01 1.89 0.71 -0.54 0.00 0.00 174.62 177.06 1jus h THR 25 N 2.77 0.40 -0.40 3.99 1.35 -1.98 -1.41 112.91 117.62 1jus h THR 25 Ca -0.48 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 64.45 1jus h THR 25 Cb 1.19 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 1jus h THR 25 CO 0.56 0.15 0.15 1.23 -0.25 0.00 0.00 175.52 177.36 1jus h GLY 26 N 1.99 0.66 1.03 5.82 0.00 -1.98 0.69 103.07 111.27 1jus h GLY 26 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1jus h GLY 26 CO 0.02 0.35 0.04 0.83 0.00 0.00 0.00 176.54 177.78 1jus h GLU 27 N 0.51 0.95 -0.77 4.80 5.08 -1.83 -1.68 114.58 121.64 1jus h GLU 27 Ca 0.13 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1jus h GLU 27 Cb 0.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1jus h GLU 27 CO -0.01 0.94 0.30 0.82 -1.00 0.00 0.00 179.01 180.06 1jus h ILE 28 N 0.84 1.26 0.14 3.13 2.04 -0.83 -1.29 117.51 122.80 1jus h ILE 28 Ca 0.16 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1jus h ILE 28 Cb 0.48 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1jus h ILE 28 CO 0.02 0.34 -0.07 0.58 0.00 0.00 0.00 178.15 179.02 1jus h VAL 29 N 1.12 0.95 -0.21 1.67 2.07 0.66 -2.94 116.25 119.57 1jus h VAL 29 Ca 0.26 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1jus h VAL 29 Cb 0.23 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1jus h VAL 29 CO -0.02 0.09 -0.07 0.50 0.02 0.00 0.00 177.57 178.10 1jus h LYS 30 N -0.37 0.41 0.00 1.57 3.11 -1.23 -0.69 116.57 119.37 1jus h LYS 30 Ca -0.02 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 1jus h LYS 30 Cb 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1jus h LYS 30 CO 0.03 0.67 0.00 -0.07 -2.81 0.00 0.00 179.45 177.28 1jus h LEU 31 N 0.13 0.00 -2.05 5.20 3.38 -1.33 -1.20 115.31 119.44 1jus h LEU 31 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jus h LEU 31 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jus h LEU 31 CO 0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 1jus n SER 32 N -2.84 2.85 -3.90 -0.43 3.41 -1.11 -4.98 113.62 106.62 1jus n SER 32 Ca -0.00 -1.84 -0.25 0.00 -0.26 0.00 0.00 58.87 56.51 1jus n SER 32 Cb 0.19 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1jus n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jus n GLU 33 N 1.09 -3.84 0.00 4.33 1.02 -0.45 -4.81 120.64 117.97 1jus n GLU 33 Ca 0.13 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1jus n GLU 33 Cb 0.49 -4.79 0.00 0.00 -0.02 0.00 0.00 31.44 27.12 1jus n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jus n SER 34 N -2.98 0.00 -3.54 1.62 2.88 -0.31 -5.04 113.62 106.26 1jus n SER 34 Ca -0.27 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.16 1jus n SER 34 Cb 0.66 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.08 1jus n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jus s SER 35 N 0.79 -0.42 0.21 -3.46 1.04 -1.26 -4.83 113.70 105.78 1jus s SER 35 Ca 0.00 0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 1jus s SER 35 Cb 0.00 0.38 0.29 0.00 0.10 0.00 0.00 66.02 66.79 1jus s SER 35 CO 0.00 -0.50 1.65 0.11 0.98 0.00 0.00 173.24 175.48 1jus h LYS 36 N 2.41 0.08 -0.98 4.02 1.57 -1.94 -0.10 116.57 121.63 1jus h LYS 36 Ca -0.21 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1jus h LYS 36 Cb 1.19 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.44 1jus h LYS 36 CO 0.32 0.05 0.64 0.78 -0.57 0.00 0.00 179.45 180.68 1jus h GLY 37 N 0.08 1.37 0.98 3.86 0.00 -1.99 0.10 103.07 107.48 1jus h GLY 37 Ca 0.32 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1jus h GLY 37 CO -0.57 0.51 -0.09 -0.57 0.00 0.00 0.00 176.54 175.82 1jus h ASN 38 N 1.32 0.79 -0.77 0.19 -0.00 -1.51 -0.87 115.58 114.73 1jus h ASN 38 Ca 0.36 -0.36 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1jus h ASN 38 Cb -0.15 -0.21 -0.04 0.00 -0.00 0.00 0.00 38.32 37.92 1jus h ASN 38 CO -0.08 0.96 0.38 0.25 -0.00 0.00 0.00 177.43 178.94 1jus h LEU 39 N 0.60 1.01 -0.19 0.34 6.46 -0.57 -2.18 115.31 120.79 1jus h LEU 39 Ca 0.11 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1jus h LEU 39 Cb 0.61 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1jus h LEU 39 CO 0.04 0.85 0.05 0.22 -0.62 0.00 0.00 178.44 178.98 1jus h TYR 40 N 1.11 0.32 -0.95 1.25 3.20 -0.53 -1.13 116.97 120.24 1jus h TYR 40 Ca 0.27 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.17 1jus h TYR 40 Cb 0.11 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 1jus h TYR 40 CO 0.01 0.41 0.61 -0.92 -1.64 0.00 0.00 178.16 176.64 1jus h TYR 41 N 0.13 1.10 0.18 -3.82 3.20 -0.83 0.20 116.97 117.14 1jus h TYR 41 Ca 0.06 0.03 -0.35 0.00 3.14 0.00 0.00 58.73 61.61 1jus h TYR 41 Cb 0.25 -0.36 0.01 0.00 1.54 0.00 0.00 36.73 38.17 1jus h TYR 41 CO 0.01 0.56 -1.73 0.45 -1.64 0.00 0.00 178.16 175.81 1jus h HIS 42 N 1.07 0.71 0.00 -3.82 3.86 -1.35 -3.43 115.15 112.19 1jus h HIS 42 Ca 0.41 -0.52 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1jus h HIS 42 Cb 0.22 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1jus h HIS 42 CO -0.00 1.65 -0.28 1.19 0.86 0.00 0.00 177.93 181.34 1jus n PHE 43 N -3.58 0.00 0.00 2.45 3.01 -0.43 -5.03 117.46 113.87 1jus n PHE 43 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1jus n PHE 43 Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.55 1jus n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jus n LYS 44 N -0.89 0.00 -4.11 -1.08 4.01 0.69 -4.37 118.16 112.41 1jus n LYS 44 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 1jus n LYS 44 Cb 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.43 1jus n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1jus s THR 45 N 0.00 0.07 0.12 -0.18 -4.23 -1.26 -4.76 115.64 105.39 1jus s THR 45 Ca 0.00 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.54 1jus s THR 45 Cb 0.00 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1jus s THR 45 CO 0.00 -0.30 1.69 0.50 -0.54 0.00 0.00 174.62 175.97 1jus h LYS 46 N 2.71 0.44 -0.46 3.99 3.64 -1.97 0.56 116.57 125.47 1jus h LYS 46 Ca -0.34 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.06 1jus h LYS 46 Cb 1.22 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 1jus h LYS 46 CO 0.54 0.42 -0.02 0.93 -2.27 0.00 0.00 179.45 179.04 1jus h GLU 47 N 0.35 0.09 -0.51 1.90 3.07 -1.96 -0.44 114.58 117.07 1jus h GLU 47 Ca 0.10 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 1jus h GLU 47 Cb 0.13 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1jus h GLU 47 CO -0.01 0.06 0.02 -0.97 -1.40 0.00 0.00 179.01 176.70 1jus h ASN 48 N 0.09 0.82 -0.59 1.42 -1.24 -1.71 -1.46 115.58 112.91 1jus h ASN 48 Ca 0.23 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1jus h ASN 48 Cb 0.34 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 1jus h ASN 48 CO -0.40 0.87 0.28 0.25 -1.29 0.00 0.00 177.43 177.15 1jus h LEU 49 N 0.80 0.77 -0.40 0.34 6.46 0.22 -1.90 115.31 121.59 1jus h LEU 49 Ca 0.15 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1jus h LEU 49 Cb 0.46 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1jus h LEU 49 CO 0.02 0.68 0.16 0.15 -0.62 0.00 0.00 178.44 178.83 1jus h PHE 50 N 0.80 0.62 -0.53 1.25 3.04 -0.72 -1.48 116.94 119.91 1jus h PHE 50 Ca 0.20 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1jus h PHE 50 Cb 0.12 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 1jus h PHE 50 CO -0.00 0.55 0.29 -0.07 -2.02 0.00 0.00 178.31 177.05 1jus h LEU 51 N 0.51 0.65 -0.37 0.59 3.38 -1.11 0.27 115.31 119.22 1jus h LEU 51 Ca 0.13 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1jus h LEU 51 Cb 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jus h LEU 51 CO -0.01 0.53 0.24 -0.08 0.09 0.00 0.00 178.44 179.21 1jus h GLU 52 N 0.74 0.47 -0.29 1.13 4.57 -0.70 0.71 114.58 121.21 1jus h GLU 52 Ca 0.19 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1jus h GLU 52 Cb 0.03 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1jus h GLU 52 CO -0.03 0.31 0.15 0.82 -1.18 0.00 0.00 179.01 179.08 1jus h ILE 53 N 0.49 1.14 -0.92 2.32 2.04 -0.33 -1.79 117.51 120.46 1jus h ILE 53 Ca 0.14 -0.40 0.18 0.00 1.00 0.00 0.00 64.86 65.78 1jus h ILE 53 Cb -0.05 0.88 -0.11 0.00 -0.74 0.00 0.00 36.82 36.81 1jus h ILE 53 CO -0.04 0.15 0.49 -0.07 0.00 0.00 0.00 178.15 178.68 1jus h LEU 54 N 0.34 0.58 -0.31 1.44 4.07 -0.20 0.13 115.31 121.36 1jus h LEU 54 Ca 0.10 0.11 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 1jus h LEU 54 Cb 0.10 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1jus h LEU 54 CO -0.01 0.19 -0.00 0.78 -1.08 0.00 0.00 178.44 178.31 1jus h ASN 55 N 0.62 0.55 -0.93 -0.43 4.21 -0.28 -1.44 115.58 117.89 1jus h ASN 55 Ca 0.53 -0.31 0.02 0.00 1.21 0.00 0.00 56.30 57.75 1jus h ASN 55 Cb 0.85 -0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 37.85 1jus h ASN 55 CO -0.41 0.72 0.61 0.40 -1.29 0.00 0.00 177.43 177.47 1jus h ILE 56 N 0.35 1.20 -0.70 2.81 2.04 -0.27 -1.96 117.51 120.99 1jus h ILE 56 Ca 0.09 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1jus h ILE 56 Cb 0.44 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1jus h ILE 56 CO 0.02 0.22 0.34 -0.33 0.00 0.00 0.00 178.15 178.40 1jus h GLU 57 N 1.22 1.01 -0.57 2.37 4.39 -0.68 -2.18 114.58 120.15 1jus h GLU 57 Ca 0.35 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 1jus h GLU 57 Cb -0.08 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.36 1jus h GLU 57 CO -0.09 0.79 0.18 1.49 -1.16 0.00 0.00 179.01 180.22 1jus h GLU 58 N 0.98 0.86 -0.47 2.33 4.57 -0.56 -0.63 114.58 121.66 1jus h GLU 58 Ca 0.24 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 1jus h GLU 58 Cb 0.11 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1jus h GLU 58 CO -0.03 0.74 -0.02 0.77 -1.18 0.00 0.00 179.01 179.29 1jus h SER 59 N 0.84 0.83 -0.77 1.04 0.02 -1.05 -1.18 113.55 113.27 1jus h SER 59 Ca 0.19 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1jus h SER 59 Cb 0.24 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1jus h SER 59 CO -0.01 0.95 0.48 0.11 -1.14 0.00 0.00 176.83 177.22 1jus h LYS 60 N 0.69 0.89 -0.17 3.45 1.79 -0.87 0.61 116.57 122.97 1jus h LYS 60 Ca 0.13 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 1jus h LYS 60 Cb 0.54 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 1jus h LYS 60 CO 0.03 0.59 -0.06 2.35 -1.08 0.00 0.00 179.45 181.27 1jus h TRP 61 N 0.92 -0.15 0.31 -1.35 2.91 -0.73 0.26 115.95 118.11 1jus h TRP 61 Ca 0.32 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.36 1jus h TRP 61 Cb 0.07 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 1jus h TRP 61 CO -0.04 -0.11 -0.30 1.96 -1.03 0.00 0.00 178.44 178.93 1jus h GLN 62 N -0.04 -0.61 -0.66 2.65 1.08 -0.31 0.41 115.11 117.64 1jus h GLN 62 Ca 0.09 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.47 1jus h GLN 62 Cb 0.17 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 27.62 1jus h GLN 62 CO -0.20 -0.41 -0.04 1.49 -0.95 0.00 0.00 178.83 178.72 1jus h GLU 63 N -0.63 0.08 0.03 1.46 4.22 -0.62 0.87 114.58 119.99 1jus h GLU 63 Ca -0.02 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.43 1jus h GLU 63 Cb 0.57 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1jus h GLU 63 CO -0.05 0.05 -0.08 1.96 -2.18 0.00 0.00 179.01 178.71 1jus h GLN 64 N 0.08 -0.15 -0.85 1.92 4.20 0.28 -2.37 115.11 118.22 1jus h GLN 64 Ca 0.34 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 1jus h GLN 64 Cb 0.56 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1jus h GLN 64 CO -0.60 -0.10 0.52 2.35 -0.67 0.00 0.00 178.83 180.33 1jus h TRP 65 N -0.16 1.10 -0.76 2.96 -0.00 0.21 -0.38 115.95 118.93 1jus h TRP 65 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 58.89 58.96 1jus h TRP 65 Cb 0.18 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.16 28.93 1jus h TRP 65 CO -0.13 0.73 0.50 -0.22 -0.00 0.00 0.00 178.44 179.31 1jus h LYS 66 N 1.16 0.86 0.00 2.65 3.64 0.10 0.68 116.57 125.66 1jus h LYS 66 Ca 0.31 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.47 1jus h LYS 66 Cb -0.06 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 1jus h LYS 66 CO -0.06 0.57 -0.92 -0.22 -2.27 0.00 0.00 179.45 176.55 1jus h LYS 67 N 0.89 0.00 0.14 1.90 3.64 -0.84 -3.37 116.57 118.93 1jus h LYS 67 Ca 0.31 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.36 1jus h LYS 67 Cb 0.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1jus h LYS 67 CO -0.10 0.63 -1.68 1.49 -2.27 0.00 0.00 179.45 177.52 1jus h GLU 68 N 0.00 0.30 0.00 1.90 4.57 -0.52 -3.36 114.58 117.47 1jus h GLU 68 Ca -0.06 -0.51 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1jus h GLU 68 Cb 1.60 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 30.38 1jus h GLU 68 CO 0.09 1.17 -0.01 -0.56 -1.18 0.00 0.00 179.01 178.52 1jus h GLN 69 N 0.08 0.00 -0.05 1.92 3.07 -1.05 -1.29 115.11 117.80 1jus h GLN 69 Ca -0.31 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.45 1jus h GLN 69 Cb 2.05 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.61 1jus h GLN 69 CO 0.16 0.01 0.04 0.82 0.09 0.00 0.00 178.83 179.94 1jus h ILE 70 N 0.00 0.73 0.00 1.86 2.04 -1.74 0.18 117.51 120.57 1jus h ILE 70 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jus h ILE 70 Cb 0.13 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1jus h ILE 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1jus n LYS 71 N -4.16 0.10 -3.79 2.37 5.02 -0.48 -4.40 118.16 112.81 1jus n LYS 71 Ca -0.02 0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 56.29 1jus n LYS 71 Cb 0.14 -1.70 -0.12 0.00 -0.02 0.00 0.00 35.03 33.33 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 -3.19 3.08 0.07 7.82 0.00 0.62 -5.01 121.76 125.15 1jus s ALA 72 Ca 0.04 -2.22 -0.37 0.00 0.00 0.00 0.00 51.96 49.42 1jus s ALA 72 Cb 0.08 -2.31 -0.19 0.00 0.00 0.00 0.00 23.12 20.70 1jus s ALA 72 CO 0.29 -1.61 1.57 -0.22 0.00 0.00 0.00 175.76 175.79 1jus h LYS 73 N 8.10 -1.12 -7.08 0.00 3.64 -1.81 -3.43 116.57 114.87 1jus h LYS 73 Ca -0.17 0.08 -0.47 0.00 -1.27 0.00 0.00 60.65 58.81 1jus h LYS 73 Cb 1.06 0.25 0.05 0.00 -0.41 0.00 0.00 32.23 33.19 1jus h LYS 73 CO 0.65 -0.75 0.15 0.95 -2.27 0.00 0.00 179.45 178.19 1jus s THR 74 N -5.94 3.51 0.16 1.00 -4.23 -1.26 -4.97 115.64 103.91 1jus s THR 74 Ca -0.19 -0.10 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 1jus s THR 74 Cb 0.03 -3.39 -0.16 0.00 1.34 0.00 0.00 72.50 70.32 1jus s THR 74 CO 0.60 -0.39 1.36 0.78 -0.54 0.00 0.00 174.62 176.44 1jus h ASN 75 N -0.15 0.10 -0.71 3.99 2.35 -1.91 -1.73 115.58 117.52 1jus h ASN 75 Ca -0.45 -0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.30 1jus h ASN 75 Cb 1.26 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.53 1jus h ASN 75 CO 0.60 0.95 0.35 -0.09 -1.65 0.00 0.00 177.43 177.59 1jus h ARG 76 N 0.04 0.57 -0.42 0.81 2.43 -1.94 0.27 114.38 116.13 1jus h ARG 76 Ca -0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1jus h ARG 76 Cb 1.57 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1jus h ARG 76 CO 0.13 0.38 0.14 0.93 -1.51 0.00 0.00 179.97 180.04 1jus h GLU 77 N 0.59 0.65 -0.81 0.20 5.08 -1.85 -2.71 114.58 115.73 1jus h GLU 77 Ca 0.36 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1jus h GLU 77 Cb 0.39 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1jus h GLU 77 CO -0.28 0.63 0.42 0.87 -1.00 0.00 0.00 179.01 179.65 1jus h LYS 78 N 0.54 1.14 0.31 2.33 1.57 -0.33 -1.23 116.57 120.90 1jus h LYS 78 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jus h LYS 78 Cb 0.24 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1jus h LYS 78 CO -0.01 0.85 -0.20 0.35 -0.57 0.00 0.00 179.45 179.88 1jus h PHE 79 N 1.14 -0.53 0.07 -1.35 3.57 -0.80 0.25 116.94 119.29 1jus h PHE 79 Ca 0.28 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1jus h PHE 79 Cb 0.06 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1jus h PHE 79 CO 0.01 -0.31 -0.37 1.88 -2.23 0.00 0.00 178.31 177.29 1jus h TYR 80 N -0.50 -1.03 -0.74 0.41 0.05 -1.21 -1.82 116.97 112.13 1jus h TYR 80 Ca -0.03 0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.87 1jus h TYR 80 Cb 0.42 0.44 -0.07 0.00 1.01 0.00 0.00 36.73 38.53 1jus h TYR 80 CO -0.10 -0.47 0.38 1.25 -1.05 0.00 0.00 178.16 178.17 1jus h LEU 81 N -0.57 0.50 -0.56 3.88 5.85 -1.06 -1.48 115.31 121.87 1jus h LEU 81 Ca 0.04 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1jus h LEU 81 Cb 0.62 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1jus h LEU 81 CO -0.25 0.28 0.01 0.22 -0.34 0.00 0.00 178.44 178.36 1jus h TYR 82 N 0.63 1.08 -0.07 1.25 3.20 -0.24 -1.29 116.97 121.53 1jus h TYR 82 Ca 0.36 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 1jus h TYR 82 Cb 0.38 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1jus h TYR 82 CO -0.10 0.97 -0.45 -0.91 -1.64 0.00 0.00 178.16 176.02 1jus h ASN 83 N 0.87 0.17 0.45 -2.11 -0.26 -0.92 -2.12 115.58 111.65 1jus h ASN 83 Ca 0.16 -0.07 -0.22 0.00 -0.56 0.00 0.00 56.30 55.61 1jus h ASN 83 Cb 0.53 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1jus h ASN 83 CO 0.03 0.60 -0.94 -0.08 -1.06 0.00 0.00 177.43 175.98 1jus h GLU 84 N 0.13 0.32 -0.32 0.81 4.81 -1.08 -3.04 114.58 116.20 1jus h GLU 84 Ca 0.01 -0.36 -0.14 0.00 -0.13 0.00 0.00 59.36 58.74 1jus h GLU 84 Cb 0.86 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1jus h GLU 84 CO 0.07 1.06 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.97 1jus h LEU 85 N 0.17 0.79 -1.29 1.64 4.07 -1.07 -0.94 115.31 118.68 1jus h LEU 85 Ca -0.07 -0.35 -0.03 0.00 0.08 0.00 0.00 57.88 57.51 1jus h LEU 85 Cb 1.58 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 1jus h LEU 85 CO 0.16 1.08 0.16 0.28 -1.08 0.00 0.00 178.44 179.03 1jus h SER 86 N 0.62 0.58 0.01 -0.43 0.02 -1.41 -0.38 113.55 112.57 1jus h SER 86 Ca 0.06 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1jus h SER 86 Cb 0.91 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.31 1jus h SER 86 CO 0.08 0.55 -0.36 0.25 -1.14 0.00 0.00 176.83 176.20 1jus h LEU 87 N 0.63 0.29 -0.38 5.07 5.85 -1.36 -3.26 115.31 122.16 1jus h LEU 87 Ca 0.15 -0.81 -0.17 0.00 0.84 0.00 0.00 57.88 57.89 1jus h LEU 87 Cb 0.16 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1jus h LEU 87 CO -0.01 1.07 -0.50 0.71 -0.34 0.00 0.00 178.44 179.37 1jus h THR 88 N -0.45 1.28 -0.68 1.05 1.35 -1.05 -3.27 112.91 111.14 1jus h THR 88 Ca -0.05 -1.69 -0.08 0.00 -0.55 0.00 0.00 66.41 64.05 1jus h THR 88 Cb 1.14 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 69.11 1jus h THR 88 CO 0.07 0.55 0.13 0.71 -0.25 0.00 0.00 175.52 176.73 1jus h THR 89 N 0.65 1.26 -0.01 6.82 1.35 -1.21 -2.55 112.91 119.22 1jus h THR 89 Ca 0.03 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1jus h THR 89 Cb 1.09 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1jus h THR 89 CO 0.11 0.39 0.05 1.05 -0.25 0.00 0.00 175.52 176.86 1jus h GLU 90 N 1.05 0.00 -0.18 4.72 -0.00 -1.61 0.89 114.58 119.45 1jus h GLU 90 Ca 0.21 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.59 1jus h GLU 90 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 1jus h GLU 90 CO 0.01 0.00 0.12 1.88 -0.00 0.00 0.00 179.01 181.02 1jus h TYR 91 N 0.00 0.15 0.00 2.06 -1.99 -1.55 -3.21 116.97 112.43 1jus h TYR 91 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1jus h TYR 91 Cb 0.10 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1jus h TYR 91 CO 0.00 0.09 -0.22 2.48 -0.00 0.00 0.00 178.16 180.52 1jus n TYR 92 N -4.51 0.00 -2.37 4.88 0.18 0.19 -5.04 117.16 110.49 1jus n TYR 92 Ca 0.00 -0.41 -0.43 0.00 1.88 0.00 0.00 57.90 58.94 1jus n TYR 92 Cb 0.14 -0.08 -0.02 0.00 -0.38 0.00 0.00 39.34 38.99 1jus n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1jus s TYR 93 N -1.16 2.81 0.10 -3.48 6.04 -0.49 -4.94 117.35 116.24 1jus s TYR 93 Ca 0.12 0.94 -0.35 0.00 0.04 0.00 0.00 57.07 57.82 1jus s TYR 93 Cb 0.10 -3.54 -0.15 0.00 -1.04 0.00 0.00 41.96 37.32 1jus s TYR 93 CO 0.01 -1.92 1.57 -1.35 -1.54 0.00 0.00 175.55 172.32 1jus h PRO 94 N 8.20 -0.84 0.00 4.97 0.11 -1.93 -2.94 132.00 139.57 1jus h PRO 94 Ca -0.30 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1jus h PRO 94 Cb 1.13 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jus h PRO 94 CO 0.95 -0.56 0.00 -0.07 -0.21 0.00 0.00 178.00 178.11 1jus h LEU 95 N -0.88 0.00 -0.85 2.35 3.38 -1.93 -3.30 115.31 114.08 1jus h LEU 95 Ca -0.03 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.18 1jus h LEU 95 Cb 0.81 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.40 1jus h LEU 95 CO -0.16 0.00 0.05 1.67 0.09 0.00 0.00 178.44 180.08 1jus n GLN 96 N -2.94 -0.07 0.14 1.13 -0.06 -1.11 -0.61 117.38 113.86 1jus n GLN 96 Ca -0.01 1.27 -0.13 0.00 -2.00 0.00 0.00 57.00 56.13 1jus n GLN 96 Cb 0.18 -2.04 -0.08 0.00 -4.06 0.00 0.00 30.24 24.25 1jus n GLN 96 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1jus h ASN 97 N 0.00 -0.31 -0.82 1.69 2.35 -1.79 -1.03 115.58 115.67 1jus h ASN 97 Ca 0.53 -0.20 0.16 0.00 -0.55 0.00 0.00 56.30 56.24 1jus h ASN 97 Cb 1.12 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.51 1jus h ASN 97 CO -0.79 0.06 0.54 0.00 -1.65 0.00 0.00 177.43 175.59 1jus h ALA 98 N -0.12 2.05 -0.08 -0.83 0.00 -1.11 0.74 119.26 119.92 1jus h ALA 98 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jus h ALA 98 Cb 0.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jus h ALA 98 CO 0.06 -0.28 0.00 0.82 0.00 0.00 0.00 179.25 179.86 1jus h ILE 99 N 0.49 1.24 -0.83 0.00 2.04 -0.73 0.70 117.51 120.43 1jus h ILE 99 Ca 0.41 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1jus h ILE 99 Cb 0.87 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 1jus h ILE 99 CO -0.15 0.21 0.55 0.40 0.00 0.00 0.00 178.15 179.16 1jus h ILE 100 N -0.14 1.12 -0.07 -0.67 2.04 0.19 1.12 117.51 121.09 1jus h ILE 100 Ca 0.02 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1jus h ILE 100 Cb 0.33 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1jus h ILE 100 CO 0.00 0.18 -0.05 -0.08 0.00 0.00 0.00 178.15 178.21 1jus h GLU 101 N 1.01 0.16 -0.23 2.37 4.81 -0.63 -3.04 114.58 119.03 1jus h GLU 101 Ca 0.34 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1jus h GLU 101 Cb 0.07 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1jus h GLU 101 CO -0.10 0.56 -0.16 0.35 -0.73 0.00 0.00 179.01 178.93 1jus h PHE 102 N -0.24 0.60 -0.73 0.92 3.04 0.11 -2.83 116.94 117.81 1jus h PHE 102 Ca 0.01 -0.16 0.17 0.00 3.98 0.00 0.00 57.97 61.96 1jus h PHE 102 Cb 0.52 -0.13 -0.12 0.00 2.56 0.00 0.00 35.95 38.78 1jus h PHE 102 CO 0.08 0.82 0.07 -0.92 -2.02 0.00 0.00 178.31 176.34 1jus h TYR 103 N 0.22 0.07 0.06 0.41 3.20 0.12 -1.82 116.97 119.23 1jus h TYR 103 Ca 0.05 0.05 -0.27 0.00 3.14 0.00 0.00 58.73 61.69 1jus h TYR 103 Cb 0.69 0.08 0.02 0.00 1.54 0.00 0.00 36.73 39.06 1jus h TYR 103 CO 0.07 -0.18 -1.13 1.79 -1.64 0.00 0.00 178.16 177.07 1jus h THR 104 N 0.16 1.32 0.08 1.81 1.35 -1.57 -3.06 112.91 113.00 1jus h THR 104 Ca 0.41 -2.43 0.02 0.00 -0.55 0.00 0.00 66.41 63.86 1jus h THR 104 Cb 0.71 2.56 -0.04 0.00 -1.73 0.00 0.00 68.15 69.65 1jus h THR 104 CO -0.60 0.74 -0.34 -0.08 -0.25 0.00 0.00 175.52 174.99 1jus h GLU 105 N 0.29 -0.52 -2.08 4.72 4.81 -1.11 -2.95 114.58 117.73 1jus h GLU 105 Ca -0.15 0.04 -0.74 0.00 -0.13 0.00 0.00 59.36 58.38 1jus h GLU 105 Cb 1.79 0.12 -0.31 0.00 0.63 0.00 0.00 28.75 30.98 1jus h GLU 105 CO 0.21 -0.35 0.57 0.66 -0.73 0.00 0.00 179.01 179.37 1jus n TYR 106 N -5.43 3.12 0.25 0.92 4.01 -0.75 -4.58 117.16 114.71 1jus n TYR 106 Ca -0.06 -2.77 0.10 0.00 -0.16 0.00 0.00 57.90 55.01 1jus n TYR 106 Cb 0.34 -0.95 -0.15 0.00 -0.31 0.00 0.00 39.34 38.27 1jus n TYR 106 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1jus n TYR 107 N -0.30 0.00 -0.94 -0.72 9.36 -1.12 -4.17 117.16 119.28 1jus n TYR 107 Ca 0.46 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.76 1jus n TYR 107 Cb 0.32 -0.35 0.25 0.00 -0.63 0.00 0.00 39.34 38.93 1jus n TYR 107 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1jus n LYS 108 N -2.03 2.87 -3.54 2.98 4.01 -1.26 -4.89 118.16 116.30 1jus n LYS 108 Ca -0.02 -2.77 -0.41 0.00 -0.51 0.00 0.00 58.31 54.60 1jus n LYS 108 Cb 0.49 -1.79 -0.11 0.00 -0.51 0.00 0.00 35.03 33.11 1jus n LYS 108 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1jus s THR 109 N -2.69 5.13 0.19 -0.18 2.01 -1.26 -4.98 115.64 113.85 1jus s THR 109 Ca 0.40 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1jus s THR 109 Cb 0.32 -3.69 0.10 0.00 0.01 0.00 0.00 72.50 69.24 1jus s THR 109 CO 0.09 -0.07 1.57 -0.55 -0.69 0.00 0.00 174.62 174.97 1jus h ASN 110 N 8.49 -1.46 0.00 3.53 -1.07 -1.94 0.16 115.58 123.29 1jus h ASN 110 Ca -0.30 0.26 0.00 0.00 0.07 0.00 0.00 56.30 56.33 1jus h ASN 110 Cb 1.14 0.70 0.00 0.00 -2.07 0.00 0.00 38.32 38.09 1jus h ASN 110 CO 0.65 -0.31 0.00 -0.24 0.07 0.00 0.00 177.43 177.60 1jus n SER 111 N -5.42 0.00 -0.22 6.14 2.88 -1.26 -2.25 113.62 113.49 1jus n SER 111 Ca 0.04 0.72 0.02 0.00 -1.33 0.00 0.00 58.87 58.32 1jus n SER 111 Cb 0.36 -0.22 0.14 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.00 0.63 -0.13 2.46 5.03 -1.87 -1.51 117.51 122.12 1jus h ILE 112 Ca 0.00 -0.11 0.04 0.00 -0.12 0.00 0.00 64.86 64.67 1jus h ILE 112 Cb 0.00 0.29 -0.01 0.00 -3.03 0.00 0.00 36.82 34.08 1jus h ILE 112 CO 0.00 0.06 0.09 -1.13 -0.68 0.00 0.00 178.15 176.49 1jus h ASN 113 N 0.31 0.00 -0.09 1.72 -1.24 -0.72 -1.76 115.58 113.79 1jus h ASN 113 Ca 0.35 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.32 1jus h ASN 113 Cb 0.54 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 1jus h ASN 113 CO -0.42 0.00 -0.13 -0.08 -1.29 0.00 0.00 177.43 175.52 1jus h GLU 114 N 0.00 0.25 -1.78 6.67 4.22 -0.82 -2.47 114.58 120.65 1jus h GLU 114 Ca 0.06 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1jus h GLU 114 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1jus h GLU 114 CO -0.00 0.71 0.00 1.63 -2.18 0.00 0.00 179.01 179.17 1jus n LYS 115 N -4.62 0.12 0.00 1.92 5.02 -0.66 -2.68 118.16 117.26 1jus n LYS 115 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1jus n LYS 115 Cb 0.36 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.91 0.00 0.23 4.39 5.15 -0.93 -2.47 115.26 122.54 1jus n ASN 117 Ca 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.07 1jus n ASN 117 Cb 0.06 0.00 0.53 0.00 -0.53 0.00 0.00 39.78 39.84 1jus n ASN 117 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1jus h LYS 118 N 0.00 0.00 -0.08 1.20 1.57 -1.81 -1.88 116.57 115.57 1jus h LYS 118 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1jus h LYS 118 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jus h LYS 118 CO 0.00 0.23 -0.16 1.25 -0.57 0.00 0.00 179.45 180.21 1jus h LEU 119 N 0.00 0.28 -1.28 2.94 5.85 -1.79 -3.05 115.31 118.26 1jus h LEU 119 Ca -0.00 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.12 1jus h LEU 119 Cb 0.57 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1jus h LEU 119 CO 0.03 0.78 0.00 -0.08 -0.34 0.00 0.00 178.44 178.84 1jus h GLU 120 N -0.21 0.49 -1.00 1.25 4.57 -1.82 -1.73 114.58 116.13 1jus h GLU 120 Ca 0.00 -0.10 0.12 0.00 -1.18 0.00 0.00 59.36 58.21 1jus h GLU 120 Cb 0.73 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.16 1jus h GLU 120 CO 0.04 0.51 0.63 -0.91 -1.18 0.00 0.00 179.01 178.10 1jus h ASN 121 N 0.47 0.93 -0.85 1.04 -0.26 -1.26 0.33 115.58 115.98 1jus h ASN 121 Ca 0.10 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1jus h ASN 121 Cb 0.30 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.39 1jus h ASN 121 CO 0.01 0.49 0.47 0.11 -1.06 0.00 0.00 177.43 177.45 1jus h LYS 122 N 1.00 1.19 0.36 0.81 1.57 -1.21 -1.45 116.57 118.83 1jus h LYS 122 Ca 0.50 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1jus h LYS 122 Cb 0.49 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jus h LYS 122 CO -0.27 0.87 -0.17 -0.92 -0.57 0.00 0.00 179.45 178.40 1jus h TYR 123 N 1.19 -0.44 -0.50 -1.35 3.20 -0.55 -2.97 116.97 115.55 1jus h TYR 123 Ca 0.30 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.30 1jus h TYR 123 Cb 0.03 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1jus h TYR 123 CO 0.01 -0.21 0.42 0.82 -1.64 0.00 0.00 178.16 177.56 1jus h ILE 124 N -0.59 0.55 -0.52 1.81 2.04 -0.22 -1.80 117.51 118.77 1jus h ILE 124 Ca -0.05 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1jus h ILE 124 Cb 0.44 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1jus h ILE 124 CO 0.08 0.00 0.10 0.44 0.00 0.00 0.00 178.15 178.77 1jus h ASP 125 N 0.00 0.77 -0.99 1.72 3.45 -1.10 -2.08 116.42 118.18 1jus h ASP 125 Ca 0.24 -0.15 0.23 0.00 0.43 0.00 0.00 57.03 57.78 1jus h ASP 125 Cb 1.08 -0.20 -0.09 0.00 -0.56 0.00 0.00 39.33 39.56 1jus h ASP 125 CO -0.00 0.77 0.64 0.00 -1.57 0.00 0.00 179.24 179.08 1jus h ALA 126 N 1.32 2.14 -0.08 3.45 0.00 -1.42 0.27 119.26 124.95 1jus h ALA 126 Ca 0.17 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1jus h ALA 126 Cb 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jus h ALA 126 CO 0.00 -0.50 -0.80 1.88 0.00 0.00 0.00 179.25 179.84 1jus h TYR 127 N 0.45 0.95 -0.20 0.00 0.05 -1.54 -2.79 116.97 113.90 1jus h TYR 127 Ca 0.55 -0.46 0.05 0.00 0.05 0.00 0.00 58.73 58.91 1jus h TYR 127 Cb 1.31 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 1jus h TYR 127 CO -0.00 1.29 -0.09 1.25 -1.05 0.00 0.00 178.16 179.56 1jus h HIS 128 N 0.35 -0.20 -0.41 4.88 2.76 -0.21 0.29 115.15 122.61 1jus h HIS 128 Ca -0.08 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.16 1jus h HIS 128 Cb 1.45 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 30.48 1jus h HIS 128 CO 0.10 -0.14 0.15 0.28 -1.30 0.00 0.00 177.93 177.02 1jus h VAL 129 N -0.06 0.89 -0.85 5.26 2.07 -0.86 0.46 116.25 123.15 1jus h VAL 129 Ca 0.11 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1jus h VAL 129 Cb 0.22 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1jus h VAL 129 CO -0.24 0.06 0.53 0.40 0.02 0.00 0.00 177.57 178.34 1jus h ILE 130 N 0.31 1.06 0.03 4.57 2.04 -1.06 -1.60 117.51 122.87 1jus h ILE 130 Ca 0.19 -0.34 -0.27 0.00 1.00 0.00 0.00 64.86 65.44 1jus h ILE 130 Cb 0.16 -0.01 0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1jus h ILE 130 CO -0.19 0.18 -1.09 -0.26 0.00 0.00 0.00 178.15 176.80 1jus h PHE 131 N 0.99 0.98 0.18 1.37 0.04 -0.30 -1.32 116.94 118.87 1jus h PHE 131 Ca 0.37 -0.56 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1jus h PHE 131 Cb 0.13 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1jus h PHE 131 CO -0.03 1.39 -0.09 -0.22 -0.60 0.00 0.00 178.31 178.77 1jus h LYS 132 N 0.34 -0.23 -0.70 1.51 3.64 -0.81 -2.10 116.57 118.23 1jus h LYS 132 Ca -0.14 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1jus h LYS 132 Cb 1.74 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.58 1jus h LYS 132 CO 0.21 -0.12 0.34 0.93 -2.27 0.00 0.00 179.45 178.54 1jus h GLU 133 N -0.29 0.98 0.00 1.90 4.39 -1.37 -0.87 114.58 119.33 1jus h GLU 133 Ca -0.02 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1jus h GLU 133 Cb 0.22 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1jus h GLU 133 CO 0.04 0.76 -0.07 0.78 -1.16 0.00 0.00 179.01 179.36 1jus h GLY 134 N 1.04 0.00 0.37 -3.84 0.00 -1.06 -2.69 103.07 96.89 1jus h GLY 134 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1jus h GLY 134 CO -0.03 0.00 -0.11 3.43 0.00 0.00 0.00 176.54 179.83 1jus h ASN 135 N 0.00 -0.26 0.00 0.19 -0.26 -0.47 0.03 115.58 114.82 1jus h ASN 135 Ca -0.00 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1jus h ASN 135 Cb 0.33 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1jus h ASN 135 CO 0.01 0.26 0.00 0.18 -1.06 0.00 0.00 177.43 176.82 1jus n LEU 136 N -4.98 0.00 -0.12 1.61 4.32 -0.94 -0.25 117.00 116.64 1jus n LEU 136 Ca -0.07 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 55.94 1jus n LEU 136 Cb 0.24 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.07 1jus n LEU 136 CO 0.22 0.00 0.39 0.59 -1.22 0.00 0.00 177.39 177.37 1jus n ASN 137 N -0.78 1.07 -2.81 -1.43 4.13 -1.09 -5.00 115.26 109.35 1jus n ASN 137 Ca 0.00 -1.93 -0.15 0.00 1.68 0.00 0.00 54.58 54.19 1jus n ASN 137 Cb 0.00 -0.13 -0.01 0.00 -1.54 0.00 0.00 39.78 38.11 1jus n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jus n GLY 138 N -0.44 -0.49 0.16 7.41 0.00 0.66 -4.74 105.19 107.74 1jus n GLY 138 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1jus n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jus h GLU 139 N -0.36 0.00 -2.24 1.61 5.08 -1.21 -3.47 114.58 113.98 1jus h GLU 139 Ca -0.30 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.27 1jus h GLU 139 Cb 1.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 1jus h GLU 139 CO 0.37 0.43 0.61 1.67 -1.00 0.00 0.00 179.01 181.09 1jus s TRP 140 N -3.11 -0.02 -0.24 4.33 -2.14 -1.20 -5.00 118.94 111.55 1jus s TRP 140 Ca 0.03 -0.27 -0.01 0.00 2.66 0.00 0.00 56.10 58.51 1jus s TRP 140 Cb 0.08 0.64 0.07 0.00 -3.10 0.00 0.00 33.47 31.16 1jus s TRP 140 CO 0.72 -0.73 0.02 0.45 -2.66 0.00 0.00 176.95 174.76 1jus s SER 141 N -3.19 3.54 -0.21 -2.66 0.15 -1.26 -4.30 113.70 105.75 1jus s SER 141 Ca 0.18 -1.17 0.02 0.00 0.70 0.00 0.00 55.95 55.67 1jus s SER 141 Cb -0.01 -0.88 0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1jus s SER 141 CO 0.02 -0.31 -0.15 -0.63 1.20 0.00 0.00 173.24 173.37 1jus s ILE 142 N 1.62 2.04 -2.32 6.45 1.01 -1.26 -4.98 121.20 123.75 1jus s ILE 142 Ca 0.00 -1.23 0.21 0.00 0.00 0.00 0.00 60.65 59.63 1jus s ILE 142 Cb -0.18 -2.00 0.44 0.00 0.01 0.00 0.00 42.46 40.73 1jus s ILE 142 CO -0.11 0.26 1.46 -0.46 0.00 0.00 0.00 174.94 176.08 1jus n ASN 143 N 4.55 2.54 -2.69 3.58 2.04 -1.26 -4.20 115.26 119.83 1jus n ASN 143 Ca -0.17 -1.87 -0.07 0.00 -0.44 0.00 0.00 54.58 52.03 1jus n ASN 143 Cb 0.46 -0.20 0.04 0.00 -2.53 0.00 0.00 39.78 37.55 1jus n ASN 143 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1jus n ASP 144 N 0.89 2.00 -0.33 0.53 5.75 -1.26 -4.96 116.55 119.18 1jus n ASP 144 Ca 0.17 -2.50 0.25 0.00 -0.01 0.00 0.00 54.79 52.70 1jus n ASP 144 Cb 0.46 -0.48 0.48 0.00 -1.03 0.00 0.00 41.12 40.54 1jus n ASP 144 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1jus h VAL 145 N 4.27 0.15 -0.75 2.12 2.07 -1.98 0.27 116.25 122.40 1jus h VAL 145 Ca -0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1jus h VAL 145 Cb 1.24 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1jus h VAL 145 CO 0.38 0.03 0.43 0.78 0.02 0.00 0.00 177.57 179.21 1jus h ASN 146 N 0.14 0.91 0.18 0.57 -0.26 -1.96 -0.94 115.58 114.22 1jus h ASN 146 Ca 0.74 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 56.41 1jus h ASN 146 Cb 1.79 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 1jus h ASN 146 CO -0.72 0.72 -0.08 0.00 -1.06 0.00 0.00 177.43 176.29 1jus h ALA 147 N 1.44 -0.24 -0.63 -0.83 0.00 -0.91 -2.91 119.26 115.19 1jus h ALA 147 Ca 0.27 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1jus h ALA 147 Cb -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1jus h ALA 147 CO -0.05 -0.34 0.42 0.28 0.00 0.00 0.00 179.25 179.57 1jus h VAL 148 N -0.83 0.94 -0.29 0.00 2.07 -1.30 -1.03 116.25 115.80 1jus h VAL 148 Ca -0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1jus h VAL 148 Cb 0.52 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1jus h VAL 148 CO 0.04 0.09 0.06 0.28 0.02 0.00 0.00 177.57 178.06 1jus h SER 149 N 0.51 0.45 -0.75 0.57 0.02 -1.21 -0.72 113.55 112.42 1jus h SER 149 Ca 0.28 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1jus h SER 149 Cb 0.45 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1jus h SER 149 CO -0.09 0.58 0.41 0.11 -1.14 0.00 0.00 176.83 176.71 1jus h LYS 150 N 0.30 1.05 -0.18 3.45 1.57 -1.03 -1.97 116.57 119.77 1jus h LYS 150 Ca 0.09 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1jus h LYS 150 Cb 0.31 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1jus h LYS 150 CO 0.00 0.78 -0.08 0.82 -0.57 0.00 0.00 179.45 180.40 1jus h ILE 151 N 1.06 1.31 0.23 1.86 2.04 -1.00 -2.82 117.51 120.19 1jus h ILE 151 Ca 0.27 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.02 1jus h ILE 151 Cb 0.03 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1jus h ILE 151 CO -0.04 0.33 -0.26 0.00 0.00 0.00 0.00 178.15 178.18 1jus h ALA 152 N 0.69 -0.52 -0.38 1.87 0.00 -0.94 0.57 119.26 120.55 1jus h ALA 152 Ca 0.04 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1jus h ALA 152 Cb 0.55 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1jus h ALA 152 CO 0.02 -0.83 -0.33 0.00 0.00 0.00 0.00 179.25 178.12 1jus h ALA 153 N 0.12 -0.20 -0.06 0.00 0.00 -1.38 0.12 119.26 117.86 1jus h ALA 153 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1jus h ALA 153 Cb 0.51 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1jus h ALA 153 CO -0.08 -0.73 -0.71 -0.91 0.00 0.00 0.00 179.25 176.82 1jus h ASN 154 N -0.26 0.39 0.15 0.00 2.35 -1.42 -0.17 115.58 116.62 1jus h ASN 154 Ca 0.17 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1jus h ASN 154 Cb 0.54 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1jus h ASN 154 CO -0.53 0.98 -0.07 0.00 -1.65 0.00 0.00 177.43 176.16 1jus h ALA 155 N 1.02 -0.20 -0.29 -0.83 0.00 -0.47 -1.50 119.26 116.99 1jus h ALA 155 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1jus h ALA 155 Cb 1.27 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1jus h ALA 155 CO 0.12 -0.54 0.05 0.28 0.00 0.00 0.00 179.25 179.16 1jus h VAL 156 N -0.36 0.86 -0.87 0.00 2.07 -0.73 -1.63 116.25 115.59 1jus h VAL 156 Ca -0.02 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.60 1jus h VAL 156 Cb 0.28 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.64 1jus h VAL 156 CO 0.03 0.03 0.46 0.78 0.02 0.00 0.00 177.57 178.89 1jus h ASN 157 N 0.16 0.56 0.30 0.57 2.35 -0.90 -0.33 115.58 118.29 1jus h ASN 157 Ca 0.13 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1jus h ASN 157 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1jus h ASN 157 CO -0.18 0.23 -0.25 1.23 -1.65 0.00 0.00 177.43 176.81 1jus h GLY 158 N 0.64 -0.58 0.56 2.83 0.00 -0.32 0.16 103.07 106.35 1jus h GLY 158 Ca 0.48 0.28 0.11 0.00 0.00 0.00 0.00 47.33 48.20 1jus h GLY 158 CO -0.37 -0.23 0.62 -2.22 0.00 0.00 0.00 176.54 174.34 1jus h ILE 159 N -0.56 0.95 -0.29 2.60 2.04 -0.85 -1.31 117.51 120.08 1jus h ILE 159 Ca -0.02 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.35 1jus h ILE 159 Cb 0.50 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1jus h ILE 159 CO -0.02 0.18 -0.44 0.58 0.00 0.00 0.00 178.15 178.45 1jus h VAL 160 N 0.99 1.29 0.00 1.67 2.07 -0.54 -3.35 116.25 118.38 1jus h VAL 160 Ca 0.47 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1jus h VAL 160 Cb 0.44 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1jus h VAL 160 CO -0.23 0.52 -0.42 0.74 0.02 0.00 0.00 177.57 178.21 1jus h THR 161 N 0.59 1.35 -0.76 2.57 2.02 0.01 -3.40 112.91 115.29 1jus h THR 161 Ca 0.04 -2.16 -0.50 0.00 0.77 0.00 0.00 66.41 64.55 1jus h THR 161 Cb 0.99 2.70 -0.21 0.00 -1.74 0.00 0.00 68.15 69.89 1jus h THR 161 CO 0.09 0.46 0.65 0.49 0.37 0.00 0.00 175.52 177.58 1jus n PHE 162 N -4.56 2.38 -1.24 3.16 3.01 -0.56 -4.15 117.46 115.48 1jus n PHE 162 Ca -0.16 -2.49 0.00 0.00 1.01 0.00 0.00 57.45 55.81 1jus n PHE 162 Cb 0.51 -1.21 0.00 0.00 -0.01 0.00 0.00 39.48 38.77 1jus n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jus n THR 163 N -0.26 0.10 0.09 4.37 -1.04 -1.26 -4.87 114.28 111.40 1jus n THR 163 Ca 0.46 -0.11 0.04 0.00 -2.04 0.00 0.00 64.05 62.40 1jus n THR 163 Cb 0.61 0.80 0.18 0.00 -1.82 0.00 0.00 70.33 70.10 1jus n THR 163 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1jus n HIS 164 N -0.06 0.20 0.07 -1.42 8.25 -1.26 -2.17 115.22 118.84 1jus n HIS 164 Ca 0.00 0.10 -0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1jus n HIS 164 Cb 0.55 -0.67 -0.09 0.00 1.12 0.00 0.00 29.99 30.90 1jus n HIS 164 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1jus h GLU 165 N 0.00 0.00 -7.15 -0.41 9.09 -1.95 -3.46 114.58 110.70 1jus h GLU 165 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 1jus h GLU 165 Cb 0.03 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 27.20 1jus h GLU 165 CO 0.00 0.88 0.39 -0.65 0.05 0.00 0.00 179.01 179.68 1jus s GLN 166 N -2.75 3.31 0.32 1.06 -0.21 -0.92 -5.00 119.66 115.48 1jus s GLN 166 Ca 0.01 1.37 -0.28 0.00 0.02 0.00 0.00 55.36 56.48 1jus s GLN 166 Cb 0.09 -2.02 -0.09 0.00 1.00 0.00 0.00 33.01 31.99 1jus s GLN 166 CO 0.81 -0.84 1.10 0.54 -2.12 0.00 0.00 175.29 174.78 1jus s ASN 167 N -2.35 7.04 0.48 5.90 4.22 -1.26 -4.81 114.94 124.15 1jus s ASN 167 Ca 0.67 2.24 0.34 0.00 -2.14 0.00 0.00 52.86 53.96 1jus s ASN 167 Cb -0.19 -2.62 1.46 0.00 1.28 0.00 0.00 41.25 41.19 1jus s ASN 167 CO 0.32 -0.30 1.67 -0.29 -2.04 0.00 0.00 177.10 176.46 1jus h ILE 168 N 2.78 0.21 -0.33 0.54 2.10 -1.96 0.15 117.51 121.00 1jus h ILE 168 Ca -0.47 -0.03 -0.17 0.00 1.08 0.00 0.00 64.86 65.27 1jus h ILE 168 Cb 1.22 0.11 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1jus h ILE 168 CO 0.65 0.02 -0.45 0.78 -1.08 0.00 0.00 178.15 178.07 1jus h ASN 169 N 0.10 0.94 -0.60 2.19 4.21 -1.99 -1.75 115.58 118.68 1jus h ASN 169 Ca 0.76 -0.46 -0.09 0.00 1.21 0.00 0.00 56.30 57.73 1jus h ASN 169 Cb 2.59 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 39.50 1jus h ASN 169 CO -0.24 1.25 0.04 -0.08 -1.29 0.00 0.00 177.43 177.11 1jus h GLU 170 N 0.70 1.04 -0.36 0.81 4.57 -1.10 -1.04 114.58 119.20 1jus h GLU 170 Ca 0.04 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 57.88 1jus h GLU 170 Cb 1.04 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 1jus h GLU 170 CO 0.10 1.00 0.11 0.00 -1.18 0.00 0.00 179.01 179.04 1jus h ARG 171 N 0.94 0.56 -0.57 1.92 3.08 -1.31 -0.85 114.38 118.14 1jus h ARG 171 Ca 0.18 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1jus h ARG 171 Cb 0.50 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1jus h ARG 171 CO 0.02 0.58 0.04 0.82 -1.07 0.00 0.00 179.97 180.36 1jus h ILE 172 N 0.43 1.25 -0.32 2.04 2.04 -1.19 -2.92 117.51 118.84 1jus h ILE 172 Ca 0.12 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 1jus h ILE 172 Cb 0.25 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1jus h ILE 172 CO -0.00 0.38 0.08 0.50 0.00 0.00 0.00 178.15 179.11 1jus h LYS 173 N 0.89 0.51 -1.60 2.37 3.11 -0.93 -1.85 116.57 119.06 1jus h LYS 173 Ca 0.17 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1jus h LYS 173 Cb 0.47 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1jus h LYS 173 CO 0.02 0.57 0.00 1.28 -2.81 0.00 0.00 179.45 178.51 1jus n LEU 174 N -4.65 0.33 0.00 5.20 4.77 -0.35 -1.57 117.00 120.72 1jus n LEU 174 Ca -0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1jus n LEU 174 Cb 0.18 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1jus n LEU 174 CO 0.37 0.06 0.00 0.59 -1.33 0.00 0.00 177.39 177.08 1jus n ASN 176 N 0.86 0.00 -0.13 -1.43 3.02 -0.70 -0.80 115.26 116.08 1jus n ASN 176 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1jus n ASN 176 Cb 0.06 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.62 -0.05 3.52 1.63 -1.55 -1.25 116.57 119.48 1jus h LYS 177 Ca 0.00 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1jus h LYS 177 Cb 0.00 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1jus h LYS 177 CO 0.00 0.69 -0.02 0.35 -3.45 0.00 0.00 179.45 177.03 1jus h PHE 178 N 0.45 -0.04 -0.96 1.91 3.57 -1.24 0.54 116.94 121.19 1jus h PHE 178 Ca 0.11 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.78 1jus h PHE 178 Cb 0.38 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 1jus h PHE 178 CO 0.03 -0.03 0.60 0.77 -2.23 0.00 0.00 178.31 177.45 1jus h SER 179 N -0.01 0.70 -0.04 0.41 0.02 -1.77 0.93 113.55 113.80 1jus h SER 179 Ca 0.03 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1jus h SER 179 Cb 0.05 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1jus h SER 179 CO -0.06 0.31 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.28 1jus h GLN 180 N 0.72 0.11 0.47 3.45 4.15 -0.21 -1.63 115.11 122.17 1jus h GLN 180 Ca 0.51 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.85 1jus h GLN 180 Cb 0.83 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1jus h GLN 180 CO -0.27 0.59 -0.33 0.82 -1.93 0.00 0.00 178.83 177.71 1jus h ILE 181 N -0.36 0.31 -0.25 2.39 2.04 -0.29 -0.62 117.51 120.75 1jus h ILE 181 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1jus h ILE 181 Cb 0.58 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1jus h ILE 181 CO 0.01 0.00 -0.21 0.15 0.00 0.00 0.00 178.15 178.11 1jus h PHE 182 N -0.79 -0.54 -0.33 1.37 3.04 -0.91 -1.01 116.94 117.77 1jus h PHE 182 Ca -0.05 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1jus h PHE 182 Cb 0.66 0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 1jus h PHE 182 CO -0.13 -0.28 0.20 1.25 -2.02 0.00 0.00 178.31 177.33 1jus h LEU 183 N -0.21 0.39 -0.81 0.59 5.85 -1.19 -1.92 115.31 118.01 1jus h LEU 183 Ca 0.14 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 1jus h LEU 183 Cb 0.42 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1jus h LEU 183 CO -0.37 0.30 -0.38 -1.13 -0.34 0.00 0.00 178.44 176.52 1jus h ASN 184 N 0.46 0.46 0.00 1.25 -0.00 0.17 -2.89 115.58 115.02 1jus h ASN 184 Ca 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 56.30 56.23 1jus h ASN 184 Cb -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.17 1jus h ASN 184 CO -0.02 0.80 0.00 0.61 -0.00 0.00 0.00 177.43 178.81 1jus n GLY 185 N -0.14 -0.55 0.21 1.57 0.00 -0.72 -2.27 105.19 103.29 1jus n GLY 185 Ca -0.01 -0.06 0.06 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 -0.76 1.17 -0.82 0.99 4.77 -1.09 -5.11 117.00 116.15 1jus n LEU 186 Ca 0.07 -0.70 0.10 0.00 -0.03 0.00 0.00 56.01 55.45 1jus n LEU 186 Cb 0.03 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 1jus n LEU 186 CO 0.05 0.24 0.58 -1.54 -1.33 0.00 0.00 177.39 175.38