#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i84 n SER 4 N 0.00 0.24 -0.21 4.37 3.41 -1.26 -4.43 113.62 115.74 1i84 n SER 4 Ca 0.00 1.14 0.24 0.00 -0.26 0.00 0.00 58.87 59.99 1i84 n SER 4 Cb 0.00 -1.16 0.63 0.00 -0.26 0.00 0.00 64.21 63.42 1i84 n SER 4 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1i84 h GLU 5 N 1.55 0.18 -0.52 4.33 4.57 -2.04 0.15 114.58 122.81 1i84 h GLU 5 Ca -0.36 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 57.92 1i84 h GLU 5 Cb 1.38 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.83 1i84 h GLU 5 CO 0.59 0.12 -0.14 1.49 -1.18 0.00 0.00 179.01 179.89 1i84 h GLU 6 N 0.18 -0.01 0.11 1.92 4.81 -1.99 1.45 114.58 121.05 1i84 h GLU 6 Ca 0.45 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.53 1i84 h GLU 6 Cb 1.48 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.87 1i84 h GLU 6 CO -0.09 -0.01 -0.66 -0.56 -0.73 0.00 0.00 179.01 176.96 1i84 h GLN 7 N -0.01 0.23 -1.01 1.92 3.07 -1.14 -3.17 115.11 115.00 1i84 h GLN 7 Ca 0.25 -0.38 0.23 0.00 0.09 0.00 0.00 58.65 58.83 1i84 h GLN 7 Cb 0.39 0.14 -0.11 0.00 0.08 0.00 0.00 27.48 27.98 1i84 h GLN 7 CO -0.54 1.18 0.62 1.15 0.09 0.00 0.00 178.83 181.34 1i84 h THR 8 N -0.52 0.61 -0.83 1.86 2.02 -0.36 1.12 112.91 116.80 1i84 h THR 8 Ca -0.12 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1i84 h THR 8 Cb 1.50 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1i84 h THR 8 CO 0.11 0.11 0.38 0.00 0.37 0.00 0.00 175.52 176.49 1i84 h ALA 9 N 1.67 1.10 0.08 6.16 0.00 0.19 -2.82 119.26 125.64 1i84 h ALA 9 Ca 0.60 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 55.06 1i84 h ALA 9 Cb 1.16 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.63 1i84 h ALA 9 CO -0.38 0.67 -1.14 0.93 0.00 0.00 0.00 179.25 179.32 1i84 h GLU 10 N 1.19 0.52 -0.85 0.00 5.08 0.35 -3.25 114.58 117.63 1i84 h GLU 10 Ca 0.28 -0.66 0.21 0.00 -1.00 0.00 0.00 59.36 58.19 1i84 h GLU 10 Cb 0.15 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 29.46 1i84 h GLU 10 CO -0.03 1.28 -0.00 0.74 -1.00 0.00 0.00 179.01 179.99 1i84 h PHE 11 N 0.25 -0.08 -0.64 4.33 -1.00 0.12 1.13 116.94 121.05 1i84 h PHE 11 Ca -0.14 0.06 0.10 0.00 2.81 0.00 0.00 57.97 60.80 1i84 h PHE 11 Cb 1.81 0.17 -0.07 0.00 3.61 0.00 0.00 35.95 41.47 1i84 h PHE 11 CO 0.09 -0.31 0.25 0.87 -1.61 0.00 0.00 178.31 177.60 1i84 h LYS 12 N 0.07 0.42 -0.69 1.51 1.57 -1.55 0.34 116.57 118.24 1i84 h LYS 12 Ca 0.48 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.33 1i84 h LYS 12 Cb 0.89 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1i84 h LYS 12 CO -0.77 0.28 0.45 0.93 -0.57 0.00 0.00 179.45 179.77 1i84 h GLU 13 N 0.44 0.53 0.01 3.15 5.08 0.12 0.37 114.58 124.28 1i84 h GLU 13 Ca 0.32 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1i84 h GLU 13 Cb 0.40 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1i84 h GLU 13 CO -0.31 0.35 -0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1i84 h ALA 14 N 1.65 -0.01 -0.12 3.43 0.00 0.19 -2.64 119.26 121.76 1i84 h ALA 14 Ca 0.32 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1i84 h ALA 14 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1i84 h ALA 14 CO -0.10 -0.05 -0.18 0.35 0.00 0.00 0.00 179.25 179.27 1i84 h PHE 15 N -0.92 -0.47 -0.91 0.00 3.04 -0.00 -1.21 116.94 116.46 1i84 h PHE 15 Ca -0.00 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.09 1i84 h PHE 15 Cb 0.85 0.23 -0.08 0.00 2.56 0.00 0.00 35.95 39.51 1i84 h PHE 15 CO 0.23 -0.26 0.54 1.96 -2.02 0.00 0.00 178.31 178.77 1i84 h GLN 16 N -0.23 0.84 -2.06 1.11 1.08 -0.40 -1.95 115.11 113.49 1i84 h GLN 16 Ca 0.10 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1i84 h GLN 16 Cb 0.37 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1i84 h GLN 16 CO -0.26 0.56 -0.00 -0.11 -0.95 0.00 0.00 178.83 178.07 1i84 n LEU 17 N -4.70 3.12 -0.45 1.46 7.94 -0.46 -3.34 117.00 120.57 1i84 n LEU 17 Ca 0.16 -1.51 0.00 0.00 -1.11 0.00 0.00 56.01 53.55 1i84 n LEU 17 Cb 0.33 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.59 1i84 n LEU 17 CO 0.26 0.62 0.24 0.49 -1.11 0.00 0.00 177.39 177.89 1i84 n PHE 18 N 1.86 0.00 -4.05 1.96 3.72 -0.73 -4.98 117.46 115.23 1i84 n PHE 18 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1i84 n PHE 18 Cb 0.33 0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.78 1i84 n PHE 18 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1i84 s ASP 19 N -0.55 3.80 0.16 4.37 -1.08 -1.21 -4.86 116.67 117.30 1i84 s ASP 19 Ca 0.00 -1.06 -0.16 0.00 -0.52 0.00 0.00 52.55 50.81 1i84 s ASP 19 Cb 0.00 -1.42 0.04 0.00 -1.46 0.00 0.00 42.92 40.08 1i84 s ASP 19 CO 0.00 -0.13 1.79 -0.09 0.52 0.00 0.00 175.17 177.26 1i84 h ARG 20 N 7.88 0.43 0.00 4.34 2.43 -1.94 -3.39 114.38 124.13 1i84 h ARG 20 Ca -0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1i84 h ARG 20 Cb 1.08 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1i84 h ARG 20 CO 0.51 0.29 0.00 0.25 -1.51 0.00 0.00 179.97 179.50 1i84 n THR 21 N -4.88 0.00 0.00 0.20 -2.24 -1.26 -5.10 114.28 101.00 1i84 n THR 21 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1i84 n THR 21 Cb 0.07 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1i84 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i84 n GLY 22 N 3.21 0.00 0.50 3.38 0.00 -1.26 -5.00 105.19 106.02 1i84 n GLY 22 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.34 1i84 n GLY 22 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1i84 h ASP 23 N 0.00 0.00 -0.11 1.61 2.03 -1.99 -3.44 116.42 114.52 1i84 h ASP 23 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1i84 h ASP 23 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1i84 h ASP 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1i84 n GLY 24 N -1.74 1.05 3.09 7.15 0.00 -1.26 -5.11 105.19 108.38 1i84 n GLY 24 Ca 0.22 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1i84 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i84 s LYS 25 N -0.66 1.11 -0.33 1.61 3.01 -1.25 -4.49 119.74 118.74 1i84 s LYS 25 Ca 0.00 -0.47 -0.09 0.00 -1.01 0.00 0.00 55.97 54.40 1i84 s LYS 25 Cb 0.00 -1.06 0.02 0.00 -1.01 0.00 0.00 37.83 35.77 1i84 s LYS 25 CO 0.00 0.28 0.14 0.42 0.51 0.00 0.00 175.35 176.70 1i84 s ILE 26 N -0.27 4.29 0.32 2.17 1.09 -0.29 -4.74 121.20 123.77 1i84 s ILE 26 Ca 0.04 -0.74 -0.27 0.00 -1.10 0.00 0.00 60.65 58.58 1i84 s ILE 26 Cb -0.06 -3.30 -0.14 0.00 -1.06 0.00 0.00 42.46 37.91 1i84 s ILE 26 CO -0.00 -0.06 0.87 0.18 -0.10 0.00 0.00 174.94 175.83 1i84 n LEU 27 N 4.93 1.24 0.01 2.97 4.77 -1.26 -1.34 117.00 128.31 1i84 n LEU 27 Ca -0.13 1.11 0.19 0.00 -0.03 0.00 0.00 56.01 57.15 1i84 n LEU 27 Cb 0.47 -1.23 0.42 0.00 -2.33 0.00 0.00 43.42 40.76 1i84 n LEU 27 CO 0.34 -1.85 1.18 1.88 -1.33 0.00 0.00 177.39 177.61 1i84 h TYR 28 N 1.61 0.00 0.40 -1.77 -1.99 -1.20 0.22 116.97 114.23 1i84 h TYR 28 Ca -0.39 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.32 1i84 h TYR 28 Cb 1.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1i84 h TYR 28 CO 0.44 0.00 -0.19 0.66 -0.00 0.00 0.00 178.16 179.07 1i84 h SER 29 N 0.00 -0.46 -1.47 3.88 4.64 -1.78 -3.32 113.55 115.05 1i84 h SER 29 Ca 0.29 0.02 0.43 0.00 -0.47 0.00 0.00 61.79 62.05 1i84 h SER 29 Cb 2.22 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 64.37 1i84 h SER 29 CO -0.00 -0.13 1.06 1.56 -0.87 0.00 0.00 176.83 178.44 1i84 h GLN 30 N -0.92 0.00 -0.74 4.77 4.20 -1.26 -2.91 115.11 118.25 1i84 h GLN 30 Ca -0.06 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.77 1i84 h GLN 30 Cb 0.41 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.07 1i84 h GLN 30 CO 0.09 0.00 -0.28 0.00 -0.67 0.00 0.00 178.83 177.97 1i84 h GLY 32 N 0.00 -1.12 1.25 0.00 0.00 -1.78 -0.56 103.07 100.86 1i84 h GLY 32 Ca 0.27 0.69 0.01 0.00 0.00 0.00 0.00 47.33 48.30 1i84 h GLY 32 CO -0.74 -0.21 0.50 -0.55 0.00 0.00 0.00 176.54 175.54 1i84 h ASP 33 N -0.53 0.86 -0.22 0.19 3.32 -1.29 -0.43 116.42 118.32 1i84 h ASP 33 Ca 0.03 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1i84 h ASP 33 Cb 0.63 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1i84 h ASP 33 CO -0.43 0.62 -0.10 0.58 -1.72 0.00 0.00 179.24 178.19 1i84 h VAL 34 N 1.02 1.24 -0.25 -1.35 2.07 -0.82 0.79 116.25 118.95 1i84 h VAL 34 Ca 0.28 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1i84 h VAL 34 Cb -0.11 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1i84 h VAL 34 CO -0.06 0.35 -0.18 0.24 0.02 0.00 0.00 177.57 177.94 1i84 h MET 35 N 0.56 0.57 0.57 1.57 2.86 -0.38 -2.47 114.93 118.21 1i84 h MET 35 Ca 0.10 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1i84 h MET 35 Cb 0.51 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1i84 h MET 35 CO 0.03 0.86 -0.28 0.00 1.06 0.00 0.00 176.91 178.58 1i84 h ARG 36 N 0.29 -0.74 -1.08 1.72 3.08 -0.52 -0.31 114.38 116.82 1i84 h ARG 36 Ca 0.05 0.05 0.30 0.00 0.07 0.00 0.00 59.98 60.45 1i84 h ARG 36 Cb 0.72 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 1i84 h ARG 36 CO 0.05 -0.49 0.74 0.00 -1.07 0.00 0.00 179.97 179.20 1i84 h ALA 37 N -0.33 2.68 -0.05 0.04 0.00 0.58 1.98 119.26 124.16 1i84 h ALA 37 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1i84 h ALA 37 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1i84 h ALA 37 CO 0.12 -1.04 0.00 1.28 0.00 0.00 0.00 179.25 179.62 1i84 n LEU 38 N -4.40 1.31 -0.38 0.00 4.77 -0.83 -4.80 117.00 112.67 1i84 n LEU 38 Ca 0.25 -0.66 -0.03 0.00 -0.03 0.00 0.00 56.01 55.53 1i84 n LEU 38 Cb 1.04 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1i84 n LEU 38 CO 0.33 0.26 -0.04 0.61 -1.33 0.00 0.00 177.39 177.22 1i84 n GLY 39 N 0.11 0.27 3.68 -0.72 0.00 0.66 -5.05 105.19 104.15 1i84 n GLY 39 Ca 0.02 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1i84 n GLY 39 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i84 s GLN 40 N -3.98 2.83 -0.43 1.61 2.00 -0.19 -4.96 119.66 116.54 1i84 s GLN 40 Ca 0.00 -0.55 0.05 0.00 -2.00 0.00 0.00 55.36 52.85 1i84 s GLN 40 Cb 0.00 -2.70 0.42 0.00 0.80 0.00 0.00 33.01 31.54 1i84 s GLN 40 CO 0.00 0.65 1.17 0.09 -0.50 0.00 0.00 175.29 176.70 1i84 n ASN 41 N 1.63 4.89 -4.74 6.67 3.02 -1.26 -3.44 115.26 122.04 1i84 n ASN 41 Ca -0.16 -3.73 -0.41 0.00 -0.03 0.00 0.00 54.58 50.25 1i84 n ASN 41 Cb 0.53 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1i84 n ASN 41 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1i84 s PRO 42 N -3.58 4.28 1.11 3.52 0.04 -1.26 -4.98 135.00 134.13 1i84 s PRO 42 Ca 0.49 2.26 -0.14 0.00 0.04 0.00 0.00 61.00 63.65 1i84 s PRO 42 Cb 0.40 -3.13 0.25 0.00 0.04 0.00 0.00 34.50 32.06 1i84 s PRO 42 CO -0.16 -0.41 1.06 0.95 0.04 0.00 0.00 177.00 178.48 1i84 s THR 43 N 0.19 1.94 0.48 1.26 -4.23 -1.26 -4.85 115.64 109.16 1i84 s THR 43 Ca 0.60 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.26 1i84 s THR 43 Cb -0.41 -2.32 0.22 0.00 1.34 0.00 0.00 72.50 71.34 1i84 s THR 43 CO 0.41 0.00 2.06 0.78 -0.54 0.00 0.00 174.62 177.33 1i84 h ASN 44 N -2.32 0.02 0.05 3.99 2.35 -2.00 -2.94 115.58 114.73 1i84 h ASN 44 Ca -0.57 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.05 1i84 h ASN 44 Cb 1.33 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.71 1i84 h ASN 44 CO 0.52 0.11 -0.55 0.00 -1.65 0.00 0.00 177.43 175.87 1i84 h ALA 45 N 1.89 -0.01 -0.02 -0.83 0.00 -2.00 -3.11 119.26 115.19 1i84 h ALA 45 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1i84 h ALA 45 Cb 0.17 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i84 h ALA 45 CO 0.01 0.27 0.29 0.93 0.00 0.00 0.00 179.25 180.75 1i84 h GLU 46 N -0.38 0.00 0.14 0.00 5.08 -1.87 0.39 114.58 117.94 1i84 h GLU 46 Ca -0.08 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.92 1i84 h GLU 46 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1i84 h GLU 46 CO 0.11 0.00 -1.86 0.28 -1.00 0.00 0.00 179.01 176.53 1i84 h VAL 47 N 0.00 0.75 -0.29 3.13 2.07 -1.56 -3.34 116.25 117.01 1i84 h VAL 47 Ca 0.01 -2.39 -0.17 0.00 0.82 0.00 0.00 66.70 64.98 1i84 h VAL 47 Cb 0.59 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1i84 h VAL 47 CO -0.00 0.86 -0.46 -0.03 0.02 0.00 0.00 177.57 177.95 1i84 h MET 48 N 0.01 0.83 -1.00 1.57 4.05 -1.12 -3.07 114.93 116.20 1i84 h MET 48 Ca -0.39 -0.50 0.20 0.00 -0.28 0.00 0.00 59.70 58.72 1i84 h MET 48 Cb 2.01 0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 32.75 1i84 h MET 48 CO 0.10 1.14 0.61 -0.22 0.23 0.00 0.00 176.91 178.77 1i84 h LYS 49 N 0.61 0.71 -0.93 0.39 3.64 -1.16 0.57 116.57 120.41 1i84 h LYS 49 Ca 0.03 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.04 1i84 h LYS 49 Cb 1.07 -0.16 -0.19 0.00 -0.41 0.00 0.00 32.23 32.53 1i84 h LYS 49 CO 0.11 0.47 0.41 0.28 -2.27 0.00 0.00 179.45 178.44 1i84 n VAL 50 N -4.77 2.62 -0.66 2.00 0.31 -1.17 -3.50 118.33 113.17 1i84 n VAL 50 Ca 0.24 -1.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.14 1i84 n VAL 50 Cb 0.60 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1i84 n VAL 50 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1i84 n LEU 51 N -0.51 0.44 -0.83 7.52 4.77 0.19 -4.99 117.00 123.59 1i84 n LEU 51 Ca 0.42 -0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1i84 n LEU 51 Cb 1.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.40 1i84 n LEU 51 CO 0.43 0.11 -0.10 0.61 -1.33 0.00 0.00 177.39 177.11 1i84 n GLY 52 N -0.05 0.72 3.66 -0.72 0.00 -0.81 -3.89 105.19 104.10 1i84 n GLY 52 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1i84 n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i84 n ASN 53 N 0.41 -5.42 -3.41 1.61 3.02 -0.68 -4.98 115.26 105.81 1i84 n ASN 53 Ca -0.10 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1i84 n ASN 53 Cb 0.40 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 1i84 n ASN 53 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1i84 n PRO 54 N -2.69 1.33 -3.95 3.52 -0.02 -1.25 -5.08 135.00 126.86 1i84 n PRO 54 Ca -0.23 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.08 1i84 n PRO 54 Cb 0.64 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.96 1i84 n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1i84 s LYS 55 N 0.00 0.31 0.00 -0.52 -0.14 -1.26 -5.00 119.74 113.13 1i84 s LYS 55 Ca 0.00 0.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.66 1i84 s LYS 55 Cb 0.00 -0.47 0.00 0.00 -1.68 0.00 0.00 37.83 35.68 1i84 s LYS 55 CO 0.00 -0.11 0.00 -1.13 -0.76 0.00 0.00 175.35 173.35 1i84 n SER 56 N 4.02 0.00 0.03 2.83 3.41 -1.26 0.99 113.62 123.64 1i84 n SER 56 Ca -0.26 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.23 1i84 n SER 56 Cb 0.51 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1i84 n SER 56 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1i84 h ASP 57 N 0.00 -1.27 0.38 4.04 2.03 -2.00 -0.18 116.42 119.42 1i84 h ASP 57 Ca 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1i84 h ASP 57 Cb 0.00 0.48 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1i84 h ASP 57 CO 0.00 -0.39 0.00 -1.84 -1.03 0.00 0.00 179.24 175.98 1i84 n GLU 58 N -4.73 0.02 0.00 4.15 0.00 0.28 -1.55 120.64 118.81 1i84 n GLU 58 Ca -0.05 0.34 0.14 0.00 0.00 0.00 0.00 57.16 57.59 1i84 n GLU 58 Cb 0.30 -1.55 0.64 0.00 0.00 0.00 0.00 31.44 30.83 1i84 n GLU 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1i84 n MET 59 N -1.60 0.14 -0.01 3.44 2.81 -0.10 -1.44 117.12 120.36 1i84 n MET 59 Ca 0.02 -0.01 0.04 0.00 -1.81 0.00 0.00 57.70 55.94 1i84 n MET 59 Cb 0.13 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1i84 n MET 59 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i84 n ASN 60 N -1.43 1.67 -0.06 7.83 4.05 -0.60 -2.58 115.26 124.14 1i84 n ASN 60 Ca 0.09 -1.35 -0.13 0.00 0.45 0.00 0.00 54.58 53.64 1i84 n ASN 60 Cb 0.31 -0.01 -0.04 0.00 1.23 0.00 0.00 39.78 41.27 1i84 n ASN 60 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1i84 n LEU 61 N 0.39 0.88 -4.63 1.20 4.77 -1.14 -4.98 117.00 113.49 1i84 n LEU 61 Ca 0.04 0.15 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 1i84 n LEU 61 Cb 0.19 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1i84 n LEU 61 CO 0.05 0.23 0.61 0.29 -1.33 0.00 0.00 177.39 177.24 1i84 n LYS 62 N -3.56 1.15 -4.55 3.23 4.76 -0.52 -4.88 118.16 113.80 1i84 n LYS 62 Ca -0.24 0.43 -0.26 0.00 -2.87 0.00 0.00 58.31 55.38 1i84 n LYS 62 Cb 0.66 -2.19 -0.09 0.00 -1.84 0.00 0.00 35.03 31.57 1i84 n LYS 62 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1i84 s THR 63 N -1.42 1.07 0.01 -0.18 -4.23 -1.26 -1.02 115.64 108.62 1i84 s THR 63 Ca 0.71 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1i84 s THR 63 Cb -0.45 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 1i84 s THR 63 CO 0.50 0.00 0.00 -0.76 -0.54 0.00 0.00 174.62 173.83 1i84 s LEU 64 N -3.62 2.09 -0.03 4.79 1.43 -0.45 -4.72 118.68 118.17 1i84 s LEU 64 Ca 0.26 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1i84 s LEU 64 Cb 0.05 0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.45 1i84 s LEU 64 CO 0.13 -0.28 -0.24 -0.54 0.23 0.00 0.00 176.35 175.66 1i84 s LYS 65 N -1.27 2.12 0.22 1.70 1.02 -1.26 -1.13 119.74 121.13 1i84 s LYS 65 Ca -0.14 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.89 1i84 s LYS 65 Cb -0.08 -1.93 0.30 0.00 -0.52 0.00 0.00 37.83 35.59 1i84 s LYS 65 CO -0.00 0.45 1.36 0.34 -0.92 0.00 0.00 175.35 176.57 1i84 n PHE 66 N 2.70 0.16 -0.27 3.18 -0.00 -1.26 0.15 117.46 122.12 1i84 n PHE 66 Ca -0.16 1.07 0.16 0.00 -0.00 0.00 0.00 57.45 58.52 1i84 n PHE 66 Cb 0.52 -0.91 0.44 0.00 -0.00 0.00 0.00 39.48 39.53 1i84 n PHE 66 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1i84 h GLU 67 N 0.00 0.53 0.00 -4.13 4.22 -1.98 1.11 114.58 114.32 1i84 h GLU 67 Ca 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.77 1i84 h GLU 67 Cb 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1i84 h GLU 67 CO -0.88 0.35 -0.80 -0.56 -2.18 0.00 0.00 179.01 174.93 1i84 h GLN 68 N 0.54 0.00 0.05 1.92 3.07 -0.71 -3.37 115.11 116.61 1i84 h GLN 68 Ca 0.49 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.09 1i84 h GLN 68 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.58 1i84 h GLN 68 CO -0.22 0.00 -0.67 0.35 0.09 0.00 0.00 178.83 178.37 1i84 h PHE 69 N 0.00 0.19 -0.77 0.06 3.57 0.18 -3.37 116.94 116.81 1i84 h PHE 69 Ca 0.00 -0.14 0.17 0.00 3.53 0.00 0.00 57.97 61.53 1i84 h PHE 69 Cb 0.87 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 39.46 1i84 h PHE 69 CO 0.00 1.26 -0.08 1.25 -2.23 0.00 0.00 178.31 178.51 1i84 h LEU 70 N -0.74 -0.51 -1.97 0.59 5.85 0.92 0.36 115.31 119.80 1i84 h LEU 70 Ca -0.15 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1i84 h LEU 70 Cb 1.33 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1i84 h LEU 70 CO 0.00 -0.22 0.38 1.55 -0.34 0.00 0.00 178.44 179.81 1i84 h PRO 71 N 0.05 0.00 0.07 5.25 0.13 -1.72 -1.00 132.00 134.78 1i84 h PRO 71 Ca 0.40 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.22 1i84 h PRO 71 Cb 0.68 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 1i84 h PRO 71 CO -0.73 0.00 -1.73 -1.33 -0.23 0.00 0.00 178.00 173.99 1i84 n MET 72 N -3.20 0.68 -0.30 0.86 2.81 0.12 -3.28 117.12 114.80 1i84 n MET 72 Ca 0.01 0.39 0.08 0.00 -1.81 0.00 0.00 57.70 56.38 1i84 n MET 72 Cb 0.47 -1.72 0.20 0.00 -0.71 0.00 0.00 33.22 31.46 1i84 n MET 72 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1i84 h MET 73 N -0.38 0.05 0.45 0.03 4.05 -0.39 -0.91 114.93 117.83 1i84 h MET 73 Ca -0.40 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.99 1i84 h MET 73 Cb 1.73 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.53 1i84 h MET 73 CO -0.04 0.03 -0.22 1.96 0.23 0.00 0.00 176.91 178.87 1i84 h GLN 74 N 0.05 -0.59 -0.74 0.39 7.50 -1.67 -0.62 115.11 119.44 1i84 h GLN 74 Ca 0.49 0.04 0.26 0.00 0.50 0.00 0.00 58.65 59.94 1i84 h GLN 74 Cb 0.90 0.13 -0.14 0.00 0.05 0.00 0.00 27.48 28.43 1i84 h GLN 74 CO -0.81 -0.39 0.21 0.25 -1.50 0.00 0.00 178.83 176.58 1i84 n THR 75 N -4.96 -0.31 0.06 -0.54 -2.24 -0.78 0.11 114.28 105.62 1i84 n THR 75 Ca -0.08 1.57 -0.03 0.00 -2.27 0.00 0.00 64.05 63.25 1i84 n THR 75 Cb 0.24 -2.42 -0.01 0.00 -2.10 0.00 0.00 70.33 66.04 1i84 n THR 75 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i84 h ILE 76 N 0.00 0.00 -0.06 2.28 2.04 -1.21 -3.31 117.51 117.25 1i84 h ILE 76 Ca 0.54 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 66.24 1i84 h ILE 76 Cb 1.30 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1i84 h ILE 76 CO -0.63 0.00 0.01 0.00 0.00 0.00 0.00 178.15 177.52 1i84 n ALA 77 N -2.24 0.04 -2.85 1.87 0.00 0.30 -3.17 120.51 114.46 1i84 n ALA 77 Ca -0.02 0.07 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 1i84 n ALA 77 Cb 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1i84 n ALA 77 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i84 s LYS 78 N -4.64 3.06 0.37 0.00 3.01 -0.49 -5.04 119.74 116.01 1i84 s LYS 78 Ca -0.01 -1.11 0.03 0.00 -1.01 0.00 0.00 55.97 53.88 1i84 s LYS 78 Cb 0.02 -4.13 -0.04 0.00 -1.01 0.00 0.00 37.83 32.67 1i84 s LYS 78 CO 0.05 -1.19 0.10 -0.80 0.51 0.00 0.00 175.35 174.02 1i84 s ASN 79 N 2.77 2.57 0.02 2.83 0.01 -1.19 -4.91 114.94 117.04 1i84 s ASN 79 Ca 0.11 -1.55 -0.14 0.00 -0.71 0.00 0.00 52.86 50.57 1i84 s ASN 79 Cb -0.22 0.27 -0.35 0.00 0.41 0.00 0.00 41.25 41.37 1i84 s ASN 79 CO 0.09 -0.80 0.95 0.11 -1.51 0.00 0.00 177.10 175.94 1i84 h LYS 80 N 1.93 0.51 0.00 -0.60 6.56 -1.96 -3.49 116.57 119.52 1i84 h LYS 80 Ca -0.38 -0.87 0.00 0.00 -1.06 0.00 0.00 60.65 58.35 1i84 h LYS 80 Cb 1.26 0.32 0.00 0.00 -0.57 0.00 0.00 32.23 33.24 1i84 h LYS 80 CO 0.62 1.41 0.00 -0.25 -2.06 0.00 0.00 179.45 179.17 1i84 n ASP 81 N -3.69 0.45 0.00 0.86 8.00 -1.26 -5.18 116.55 115.73 1i84 n ASP 81 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1i84 n ASP 81 Cb 1.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 1i84 n ASP 81 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1i84 n GLN 82 N 0.00 0.00 -1.00 -1.24 0.00 -1.26 -5.17 117.38 108.71 1i84 n GLN 82 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.84 1i84 n GLN 82 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 30.24 30.35 1i84 n GLN 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i84 n GLY 83 N -0.70 -1.45 3.65 1.69 0.00 -1.26 -5.11 105.19 102.01 1i84 n GLY 83 Ca 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 1i84 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i84 n PHE 85 N 1.51 -0.05 -0.06 0.00 7.35 -1.26 0.16 117.46 125.11 1i84 n PHE 85 Ca -0.10 0.15 -0.01 0.00 -0.76 0.00 0.00 57.45 56.73 1i84 n PHE 85 Cb 0.57 -0.30 -0.00 0.00 0.35 0.00 0.00 39.48 40.10 1i84 n PHE 85 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1i84 n GLU 86 N -3.12 -0.05 -0.12 -4.13 4.71 -1.26 -0.80 120.64 115.86 1i84 n GLU 86 Ca 0.00 0.23 -0.20 0.00 -0.01 0.00 0.00 57.16 57.18 1i84 n GLU 86 Cb 0.03 -0.34 -0.11 0.00 -1.01 0.00 0.00 31.44 30.01 1i84 n GLU 86 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1i84 n ASP 87 N -4.21 2.03 -0.25 1.62 8.00 0.12 -4.06 116.55 119.82 1i84 n ASP 87 Ca 0.01 -0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.41 1i84 n ASP 87 Cb 0.05 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 1i84 n ASP 87 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1i84 h TYR 88 N -0.23 -1.25 -0.34 1.24 0.05 0.17 0.17 116.97 116.77 1i84 h TYR 88 Ca -0.58 0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.22 1i84 h TYR 88 Cb 1.78 0.62 -0.02 0.00 1.01 0.00 0.00 36.73 40.13 1i84 h TYR 88 CO 0.00 -0.26 -0.07 -0.39 -1.05 0.00 0.00 178.16 176.39 1i84 h VAL 89 N -0.05 1.23 -0.81 -2.88 -1.51 -1.43 -2.54 116.25 108.25 1i84 h VAL 89 Ca 0.10 -0.97 0.24 0.00 -1.23 0.00 0.00 66.70 64.84 1i84 h VAL 89 Cb 0.30 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 30.47 1i84 h VAL 89 CO -0.59 0.32 0.72 -0.08 -1.23 0.00 0.00 177.57 176.72 1i84 h GLU 90 N 0.53 0.00 0.20 5.19 4.81 -0.83 0.19 114.58 124.67 1i84 h GLU 90 Ca 0.10 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.00 1i84 h GLU 90 Cb 0.45 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.85 1i84 h GLU 90 CO 0.02 0.00 -1.61 0.78 -0.73 0.00 0.00 179.01 177.47 1i84 h GLY 91 N 0.00 0.49 1.38 1.92 0.00 -0.96 -3.35 103.07 102.55 1i84 h GLY 91 Ca 0.39 -1.24 -0.14 0.00 0.00 0.00 0.00 47.33 46.33 1i84 h GLY 91 CO -0.00 1.09 -0.40 1.41 0.00 0.00 0.00 176.54 178.64 1i84 h LEU 92 N 0.06 0.72 0.00 3.11 3.38 -0.79 -2.79 115.31 119.00 1i84 h LEU 92 Ca -0.31 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1i84 h LEU 92 Cb 2.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1i84 h LEU 92 CO 0.20 1.03 0.07 -1.14 0.09 0.00 0.00 178.44 178.69 1i84 n ARG 93 N -4.04 0.00 0.00 1.13 0.63 0.32 0.37 116.66 115.07 1i84 n ARG 93 Ca -0.02 0.28 0.14 0.00 -0.92 0.00 0.00 57.85 57.32 1i84 n ARG 93 Cb 0.52 -1.57 0.53 0.00 0.45 0.00 0.00 32.46 32.39 1i84 n ARG 93 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1i84 n VAL 94 N -1.24 0.00 0.00 5.15 0.31 -1.05 -3.25 118.33 118.24 1i84 n VAL 94 Ca 0.00 -0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.32 1i84 n VAL 94 Cb 0.07 -0.04 0.09 0.00 -0.91 0.00 0.00 33.84 33.05 1i84 n VAL 94 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1i84 n PHE 95 N -1.08 0.25 -2.21 3.52 3.72 0.16 -4.86 117.46 116.96 1i84 n PHE 95 Ca 0.12 -0.36 -0.39 0.00 -0.05 0.00 0.00 57.45 56.77 1i84 n PHE 95 Cb 0.30 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 1i84 n PHE 95 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1i84 n ASP 96 N 0.31 4.07 0.00 4.37 -0.08 -1.20 -4.75 116.55 119.28 1i84 n ASP 96 Ca 0.08 -2.83 0.00 0.00 -1.51 0.00 0.00 54.79 50.53 1i84 n ASP 96 Cb 0.33 -1.68 0.00 0.00 2.34 0.00 0.00 41.12 42.11 1i84 n ASP 96 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1i84 n LYS 97 N 7.95 0.00 -2.96 -0.67 4.81 -1.26 -2.32 118.16 123.71 1i84 n LYS 97 Ca 0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.77 1i84 n LYS 97 Cb 0.45 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.50 1i84 n LYS 97 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1i84 n GLU 98 N -3.31 0.78 -0.72 1.64 1.02 -1.26 -4.98 120.64 113.81 1i84 n GLU 98 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 1i84 n GLU 98 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1i84 n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i84 n GLY 99 N 1.35 0.00 0.27 0.62 0.00 -0.98 -4.70 105.19 101.75 1i84 n GLY 99 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1i84 n GLY 99 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1i84 h ASN 100 N 0.00 0.30 0.00 1.61 2.35 -1.94 -3.46 115.58 114.45 1i84 h ASN 100 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1i84 h ASN 100 Cb 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1i84 h ASN 100 CO 0.00 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 1i84 n GLY 101 N -1.22 0.49 3.16 2.83 0.00 -1.26 -5.07 105.19 104.12 1i84 n GLY 101 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1i84 n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i84 s THR 102 N -2.00 1.05 0.13 2.61 -4.23 -1.26 -4.14 115.64 107.80 1i84 s THR 102 Ca 0.00 -1.32 0.10 0.00 -1.18 0.00 0.00 61.69 59.29 1i84 s THR 102 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1i84 s THR 102 CO 0.00 -0.27 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.87 1i84 s VAL 103 N -1.40 2.10 0.04 2.29 1.01 -0.33 -4.51 120.40 119.59 1i84 s VAL 103 Ca -0.02 -1.73 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 1i84 s VAL 103 Cb -0.09 -1.88 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1i84 s VAL 103 CO 0.02 0.01 1.53 -0.04 0.00 0.00 0.00 175.10 176.62 1i84 s MET 104 N -2.11 4.24 0.00 2.72 1.00 -1.26 -1.73 119.30 122.16 1i84 s MET 104 Ca 0.13 2.16 0.00 0.00 0.00 0.00 0.00 55.69 57.98 1i84 s MET 104 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 34.83 31.15 1i84 s MET 104 CO 0.06 -0.66 0.16 0.41 0.00 0.00 0.00 175.02 174.99 1i84 n GLY 105 N 3.83 0.00 0.08 -0.03 0.00 -0.39 0.21 105.19 108.89 1i84 n GLY 105 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1i84 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i84 n ALA 106 N -0.59 1.64 -0.01 4.61 0.00 -1.26 -3.30 120.51 121.59 1i84 n ALA 106 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 53.44 52.47 1i84 n ALA 106 Cb 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.41 1i84 n ALA 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1i84 h GLU 107 N 0.00 0.64 -0.55 0.00 5.08 -0.61 -1.15 114.58 117.99 1i84 h GLU 107 Ca -0.38 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.39 1i84 h GLU 107 Cb 1.69 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 1i84 h GLU 107 CO -0.03 1.17 0.22 0.82 -1.00 0.00 0.00 179.01 180.19 1i84 h ILE 108 N 0.29 1.22 0.00 3.13 1.08 -1.42 -1.18 117.51 120.63 1i84 h ILE 108 Ca -0.06 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1i84 h ILE 108 Cb 1.34 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1i84 h ILE 108 CO 0.14 0.26 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.75 1i84 h ARG 109 N 0.75 0.00 0.00 2.37 2.43 -1.52 -2.75 114.38 115.66 1i84 h ARG 109 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1i84 h ARG 109 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1i84 h ARG 109 CO -0.01 0.03 0.00 1.58 -1.51 0.00 0.00 179.97 180.05 1i84 n HIS 110 N -3.77 0.00 -0.20 2.20 -0.00 -0.45 -3.62 115.22 109.38 1i84 n HIS 110 Ca -0.03 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.15 1i84 n HIS 110 Cb 0.12 -0.16 0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1i84 n HIS 110 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1i84 n VAL 111 N -0.98 -0.28 0.29 3.57 0.31 -0.89 0.32 118.33 120.67 1i84 n VAL 111 Ca 0.00 1.24 0.18 0.00 -0.01 0.00 0.00 64.34 65.75 1i84 n VAL 111 Cb 0.00 -1.63 0.95 0.00 -0.91 0.00 0.00 33.84 32.26 1i84 n VAL 111 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i84 h LEU 112 N 0.00 0.00 -3.85 7.52 -0.00 -1.65 -1.53 115.31 115.81 1i84 h LEU 112 Ca 0.18 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.58 1i84 h LEU 112 Cb 0.31 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 40.57 1i84 h LEU 112 CO -0.52 0.00 -0.83 0.52 -0.00 0.00 0.00 178.44 177.61 1i84 n VAL 113 N -3.25 2.37 -1.94 1.22 0.31 0.94 -2.52 118.33 115.46 1i84 n VAL 113 Ca -0.01 -4.00 0.00 0.00 -0.01 0.00 0.00 64.34 60.32 1i84 n VAL 113 Cb 0.27 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1i84 n VAL 113 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1i84 n THR 114 N -0.72 0.00 -4.08 2.52 -2.24 -0.62 -4.79 114.28 104.34 1i84 n THR 114 Ca 0.38 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1i84 n THR 114 Cb 0.94 0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 1i84 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i84 s LEU 115 N 0.00 2.27 0.00 3.22 1.02 -0.93 -5.01 118.68 119.26 1i84 s LEU 115 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 53.56 1i84 s LEU 115 Cb 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 46.19 46.01 1i84 s LEU 115 CO 0.00 -0.20 0.00 0.61 0.02 0.00 0.00 176.35 176.78 1i84 n GLY 116 N 1.35 1.38 3.41 -3.19 0.00 -1.26 -3.16 105.19 103.71 1i84 n GLY 116 Ca -0.22 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1i84 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i84 n GLU 117 N 12.03 0.25 -1.62 1.61 -0.58 -1.26 -4.85 120.64 126.22 1i84 n GLU 117 Ca 0.00 -1.12 -0.62 0.00 -0.42 0.00 0.00 57.16 55.00 1i84 n GLU 117 Cb 0.00 -2.55 -0.09 0.00 -0.57 0.00 0.00 31.44 28.24 1i84 n GLU 117 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i84 n LYS 118 N 7.70 0.11 -0.83 3.49 5.02 -1.19 -4.97 118.16 127.48 1i84 n LYS 118 Ca 0.46 0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.73 1i84 n LYS 118 Cb 0.40 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1i84 n LYS 118 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1i84 n MET 119 N 2.75 0.23 -4.20 1.97 2.81 -1.05 -5.02 117.12 114.61 1i84 n MET 119 Ca 0.25 -0.53 -0.23 0.00 -1.81 0.00 0.00 57.70 55.38 1i84 n MET 119 Cb 0.03 -0.19 -0.06 0.00 -0.71 0.00 0.00 33.22 32.29 1i84 n MET 119 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1i84 s THR 120 N -0.83 3.77 0.27 2.03 -4.23 -1.26 -4.76 115.64 110.63 1i84 s THR 120 Ca 0.15 -1.69 -0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1i84 s THR 120 Cb -0.01 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 71.02 1i84 s THR 120 CO 0.10 -0.34 1.81 1.05 -0.54 0.00 0.00 174.62 176.70 1i84 h GLU 121 N 1.69 0.83 -0.07 3.99 9.09 -1.96 -1.75 114.58 126.41 1i84 h GLU 121 Ca -0.46 -0.05 -0.05 0.00 0.05 0.00 0.00 59.36 58.85 1i84 h GLU 121 Cb 1.25 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 1i84 h GLU 121 CO 0.61 0.55 -0.17 0.93 0.05 0.00 0.00 179.01 180.98 1i84 h GLU 122 N 0.86 0.23 -0.42 1.06 4.39 -1.99 -2.24 114.58 116.48 1i84 h GLU 122 Ca 0.47 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 60.06 1i84 h GLU 122 Cb 0.52 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1i84 h GLU 122 CO -0.29 0.77 -0.48 0.93 -1.16 0.00 0.00 179.01 178.78 1i84 h GLU 123 N -0.27 -0.29 -0.89 2.33 5.08 -1.74 0.55 114.58 119.36 1i84 h GLU 123 Ca -0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1i84 h GLU 123 Cb 0.77 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1i84 h GLU 123 CO 0.04 -0.19 0.58 -0.39 -1.00 0.00 0.00 179.01 178.04 1i84 h VAL 124 N -0.30 1.15 0.05 3.13 -1.51 -1.43 -2.25 116.25 115.09 1i84 h VAL 124 Ca 0.07 -0.38 0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1i84 h VAL 124 Cb 0.49 -0.07 -0.05 0.00 -2.13 0.00 0.00 31.29 29.53 1i84 h VAL 124 CO -0.55 0.20 -0.47 -0.08 -1.23 0.00 0.00 177.57 175.45 1i84 h GLU 125 N 1.12 -0.60 -0.60 5.19 4.57 -0.42 -0.81 114.58 123.01 1i84 h GLU 125 Ca 0.36 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.75 1i84 h GLU 125 Cb 0.01 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1i84 h GLU 125 CO -0.12 -0.40 0.51 1.96 -1.18 0.00 0.00 179.01 179.78 1i84 h GLN 126 N -0.63 0.00 0.00 1.92 4.20 -0.61 -0.46 115.11 119.54 1i84 h GLN 126 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i84 h GLN 126 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1i84 h GLN 126 CO -0.29 0.00 0.00 -0.11 -0.67 0.00 0.00 178.83 177.76 1i84 n LEU 127 N -4.02 0.26 -0.16 1.46 7.94 -0.39 -4.38 117.00 117.72 1i84 n LEU 127 Ca 0.12 0.51 -0.03 0.00 -1.11 0.00 0.00 56.01 55.49 1i84 n LEU 127 Cb 0.75 -0.45 0.18 0.00 0.53 0.00 0.00 43.42 44.42 1i84 n LEU 127 CO 0.33 -0.45 1.01 -0.37 -1.11 0.00 0.00 177.39 176.80 1i84 h VAL 128 N 0.00 1.23 -0.32 1.96 -1.51 -1.37 -3.45 116.25 112.79 1i84 h VAL 128 Ca 0.00 -0.78 -0.53 0.00 -1.23 0.00 0.00 66.70 64.16 1i84 h VAL 128 Cb 0.00 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1i84 h VAL 128 CO 0.00 0.30 0.65 0.00 -1.23 0.00 0.00 177.57 177.29 1i84 n ALA 129 N -2.46 -0.36 -0.12 5.19 0.00 -0.18 -0.59 120.51 121.99 1i84 n ALA 129 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1i84 n ALA 129 Cb 0.21 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1i84 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i84 n GLY 130 N 3.73 0.94 0.00 0.00 0.00 -1.26 -4.91 105.19 103.68 1i84 n GLY 130 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1i84 n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i84 n HIS 131 N -2.12 0.00 -3.05 1.61 -0.00 0.25 -5.00 115.22 106.91 1i84 n HIS 131 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 1i84 n HIS 131 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1i84 n HIS 131 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1i84 s GLU 132 N -0.22 4.47 0.00 -0.41 2.02 -1.26 -3.92 118.70 119.38 1i84 s GLU 132 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.03 1i84 s GLU 132 Cb 0.00 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1i84 s GLU 132 CO 0.00 0.51 0.00 -0.40 0.02 0.00 0.00 175.26 175.39 1i84 n ASP 133 N 1.94 0.00 -0.34 -0.19 5.68 -0.16 -4.67 116.55 118.80 1i84 n ASP 133 Ca -0.06 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.24 1i84 n ASP 133 Cb 0.49 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.65 1i84 n ASP 133 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1i84 h SER 134 N 0.00 1.03 -0.45 -1.12 4.64 -1.97 0.95 113.55 116.62 1i84 h SER 134 Ca 0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1i84 h SER 134 Cb 0.00 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.81 1i84 h SER 134 CO 0.00 0.70 0.09 0.59 -0.87 0.00 0.00 176.83 177.35 1i84 n ASN 135 N -4.44 4.10 -3.05 4.97 5.03 -1.26 -4.87 115.26 115.74 1i84 n ASN 135 Ca 0.13 -2.73 -0.22 0.00 0.87 0.00 0.00 54.58 52.62 1i84 n ASN 135 Cb 0.11 -0.65 0.02 0.00 -1.02 0.00 0.00 39.78 38.24 1i84 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i84 n GLY 136 N 0.21 -0.51 3.62 7.41 0.00 0.33 -4.89 105.19 111.35 1i84 n GLY 136 Ca 0.24 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1i84 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i84 s ILE 138 N 0.60 4.79 -0.45 0.00 1.01 -0.71 -0.99 121.20 125.45 1i84 s ILE 138 Ca 0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1i84 s ILE 138 Cb -0.13 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.22 1i84 s ILE 138 CO 0.01 0.31 0.33 0.21 0.00 0.00 0.00 174.94 175.80 1i84 s ASN 139 N -1.88 5.76 0.11 3.58 3.04 -1.26 -1.19 114.94 123.11 1i84 s ASN 139 Ca 0.25 -1.67 -0.34 0.00 0.04 0.00 0.00 52.86 51.13 1i84 s ASN 139 Cb -0.12 -2.03 -0.13 0.00 -1.54 0.00 0.00 41.25 37.42 1i84 s ASN 139 CO 0.16 -0.64 1.55 0.10 -3.04 0.00 0.00 177.10 175.24 1i84 h TYR 140 N 8.50 -1.60 -0.35 0.43 -0.00 -1.93 -1.08 116.97 120.94 1i84 h TYR 140 Ca -0.23 0.06 0.09 0.00 0.00 0.00 0.00 58.73 58.64 1i84 h TYR 140 Cb 1.08 0.71 -0.07 0.00 0.00 0.00 0.00 36.73 38.46 1i84 h TYR 140 CO 0.63 -0.56 -0.03 0.39 -0.00 0.00 0.00 178.16 178.59 1i84 n GLU 141 N -5.45 -0.03 0.06 0.10 -0.58 -1.26 0.93 120.64 114.42 1i84 n GLU 141 Ca -0.07 0.53 -0.04 0.00 -0.42 0.00 0.00 57.16 57.17 1i84 n GLU 141 Cb 0.39 -0.83 -0.02 0.00 -0.57 0.00 0.00 31.44 30.42 1i84 n GLU 141 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1i84 h GLU 142 N 0.00 -0.22 -1.10 3.49 4.39 -1.63 -2.88 114.58 116.63 1i84 h GLU 142 Ca 0.19 0.02 0.38 0.00 0.34 0.00 0.00 59.36 60.28 1i84 h GLU 142 Cb 0.36 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 28.92 1i84 h GLU 142 CO -0.34 -0.15 0.65 1.25 -1.16 0.00 0.00 179.01 179.26 1i84 h LEU 143 N -0.87 0.39 0.46 1.33 5.85 0.87 0.59 115.31 123.93 1i84 h LEU 143 Ca -0.02 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1i84 h LEU 143 Cb 0.18 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1i84 h LEU 143 CO 0.04 -0.21 -0.34 0.58 -0.34 0.00 0.00 178.44 178.16 1i84 h VAL 144 N 0.18 0.00 -1.00 1.05 2.07 0.50 -2.52 116.25 116.53 1i84 h VAL 144 Ca 0.78 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.46 1i84 h VAL 144 Cb 2.07 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.74 1i84 h VAL 144 CO -0.57 0.00 0.61 0.03 0.02 0.00 0.00 177.57 177.66 1i84 h ARG 145 N -0.77 0.83 0.17 1.57 3.08 0.20 -0.92 114.38 118.55 1i84 h ARG 145 Ca -0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1i84 h ARG 145 Cb 0.64 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1i84 h ARG 145 CO 0.02 0.55 -0.43 1.98 -1.07 0.00 0.00 179.97 181.03 1i84 h MET 146 N 0.86 -0.64 -0.39 0.04 4.05 -0.12 0.46 114.93 119.19 1i84 h MET 146 Ca 0.54 0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.98 1i84 h MET 146 Cb 0.72 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 1i84 h MET 146 CO -0.33 -0.43 0.12 -0.39 0.23 0.00 0.00 176.91 176.11 1i84 h VAL 147 N -0.66 1.17 0.00 -5.77 -1.51 -1.20 -0.61 116.25 107.67 1i84 h VAL 147 Ca -0.02 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1i84 h VAL 147 Cb 0.64 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1i84 h VAL 147 CO -0.19 0.21 0.00 0.18 -1.23 0.00 0.00 177.57 176.54 1i84 n LEU 148 N -4.35 0.10 0.28 4.19 4.32 -0.37 -3.64 117.00 117.53 1i84 n LEU 148 Ca 0.02 0.02 0.08 0.00 -0.02 0.00 0.00 56.01 56.11 1i84 n LEU 148 Cb 0.17 0.00 0.32 0.00 -1.62 0.00 0.00 43.42 42.29 1i84 n LEU 148 CO 0.38 0.00 1.07 0.28 -1.22 0.00 0.00 177.39 177.89 1i84 h SER 149 N 0.00 0.00 0.00 -1.43 0.02 -0.27 -3.50 113.55 108.37 1i84 h SER 149 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i84 h SER 149 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1i84 h SER 149 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30