#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x94 n TYR 2 N 0.00 0.00 0.05 2.03 9.36 -1.26 -4.87 117.16 122.47 1x94 n TYR 2 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1x94 n TYR 2 Cb 0.00 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.59 1x94 n TYR 2 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1x94 h GLN 3 N 0.00 0.00 0.00 2.98 4.20 -2.05 -3.06 115.11 117.18 1x94 h GLN 3 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1x94 h GLN 3 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1x94 h GLN 3 CO 0.00 0.86 -0.07 -0.44 -0.67 0.00 0.00 178.83 178.51 1x94 h ASP 4 N 0.00 0.00 0.07 1.46 5.19 -1.99 0.11 116.42 121.26 1x94 h ASP 4 Ca -0.07 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.07 1x94 h ASP 4 Cb 1.79 0.00 0.02 0.00 0.18 0.00 0.00 39.33 41.33 1x94 h ASP 4 CO 0.12 0.07 -1.12 -0.07 -3.12 0.00 0.00 179.24 175.11 1x94 h LEU 5 N 0.00 0.88 -0.36 1.55 3.38 -1.90 -1.54 115.31 117.33 1x94 h LEU 5 Ca -0.00 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1x94 h LEU 5 Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1x94 h LEU 5 CO 0.01 1.55 0.19 0.40 0.09 0.00 0.00 178.44 180.68 1x94 h ILE 6 N 0.34 1.15 -0.10 1.22 2.04 -0.95 -2.31 117.51 118.89 1x94 h ILE 6 Ca -0.15 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 1x94 h ILE 6 Cb 1.78 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1x94 h ILE 6 CO 0.22 0.15 -0.27 -0.09 0.00 0.00 0.00 178.15 178.16 1x94 h ARG 7 N 0.45 0.19 -0.15 2.37 2.43 -0.89 -2.63 114.38 116.14 1x94 h ARG 7 Ca 0.13 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1x94 h ARG 7 Cb 0.07 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1x94 h ARG 7 CO -0.02 0.45 -0.34 0.77 -1.51 0.00 0.00 179.97 179.32 1x94 h SER 8 N 0.17 0.31 -0.10 -3.80 0.02 -0.84 0.44 113.55 109.75 1x94 h SER 8 Ca 0.03 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1x94 h SER 8 Cb 0.57 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1x94 h SER 8 CO 0.04 0.63 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.95 1x94 h GLU 9 N 0.26 0.23 0.00 3.45 4.39 -1.14 -0.85 114.58 120.92 1x94 h GLU 9 Ca 0.03 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1x94 h GLU 9 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1x94 h GLU 9 CO 0.06 0.63 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.42 1x94 h LEU 10 N -0.17 -0.14 -1.47 1.33 -0.00 -1.28 -0.44 115.31 113.14 1x94 h LEU 10 Ca 0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 1x94 h LEU 10 Cb 0.58 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1x94 h LEU 10 CO 0.02 -0.07 -0.27 0.71 -0.00 0.00 0.00 178.44 178.83 1x94 h THR 11 N -0.09 1.14 -0.54 0.22 1.35 -0.96 -0.04 112.91 113.99 1x94 h THR 11 Ca 0.02 -0.94 -0.05 0.00 -0.55 0.00 0.00 66.41 64.89 1x94 h THR 11 Cb 0.11 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1x94 h THR 11 CO -0.05 0.26 0.12 -0.08 -0.25 0.00 0.00 175.52 175.52 1x94 h GLU 12 N 0.00 0.84 -0.14 4.72 4.81 -0.31 -0.10 114.58 124.40 1x94 h GLU 12 Ca -0.00 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 1x94 h GLU 12 Cb 0.49 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1x94 h GLU 12 CO 0.03 0.76 -0.51 0.00 -0.73 0.00 0.00 179.01 178.57 1x94 h ALA 13 N 1.33 0.87 -0.63 2.92 0.00 0.29 -1.90 119.26 122.14 1x94 h ALA 13 Ca 0.18 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1x94 h ALA 13 Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1x94 h ALA 13 CO 0.00 0.67 0.35 0.00 0.00 0.00 0.00 179.25 180.27 1x94 h ALA 14 N 1.16 0.81 0.06 0.00 0.00 -0.06 -1.33 119.26 119.91 1x94 h ALA 14 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x94 h ALA 14 Cb 1.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1x94 h ALA 14 CO 0.09 0.33 -0.03 -0.44 0.00 0.00 0.00 179.25 179.19 1x94 h ASP 15 N 0.86 -0.07 -0.66 0.00 3.32 -0.84 -1.36 116.42 117.68 1x94 h ASP 15 Ca 0.22 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.09 1x94 h ASP 15 Cb 0.04 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1x94 h ASP 15 CO -0.04 0.19 0.38 0.58 -1.72 0.00 0.00 179.24 178.64 1x94 h VAL 16 N -0.34 1.02 0.02 -1.35 2.07 -1.26 0.14 116.25 116.55 1x94 h VAL 16 Ca -0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1x94 h VAL 16 Cb 0.30 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1x94 h VAL 16 CO 0.01 0.13 -0.01 0.25 0.02 0.00 0.00 177.57 177.98 1x94 h LEU 17 N 0.73 -0.03 -0.58 2.57 5.85 -1.19 0.44 115.31 123.10 1x94 h LEU 17 Ca 0.28 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1x94 h LEU 17 Cb 0.11 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1x94 h LEU 17 CO -0.15 0.05 0.23 -0.61 -0.34 0.00 0.00 178.44 177.63 1x94 h GLN 18 N -0.10 0.41 -0.48 1.25 5.75 -0.76 -0.64 115.11 120.55 1x94 h GLN 18 Ca -0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1x94 h GLN 18 Cb 0.09 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1x94 h GLN 18 CO 0.01 0.27 0.20 -0.22 -2.65 0.00 0.00 178.83 176.44 1x94 h LYS 19 N 0.43 0.71 -0.56 1.69 3.64 -0.38 -1.89 116.57 120.20 1x94 h LYS 19 Ca 0.29 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1x94 h LYS 19 Cb 0.32 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1x94 h LYS 19 CO -0.27 0.63 0.29 0.35 -2.27 0.00 0.00 179.45 178.18 1x94 h PHE 20 N 0.63 0.54 0.00 1.91 3.57 0.14 -2.56 116.94 121.17 1x94 h PHE 20 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1x94 h PHE 20 Cb 0.18 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1x94 h PHE 20 CO 0.00 0.26 0.00 1.47 -2.23 0.00 0.00 178.31 177.81 1x94 n LEU 21 N -4.85 0.65 0.02 0.59 -0.00 -0.35 -3.44 117.00 109.62 1x94 n LEU 21 Ca 0.06 0.56 0.13 0.00 -0.00 0.00 0.00 56.01 56.76 1x94 n LEU 21 Cb 0.15 -0.36 0.55 0.00 -0.00 0.00 0.00 43.42 43.76 1x94 n LEU 21 CO 0.29 -0.16 0.93 -1.20 -0.00 0.00 0.00 177.39 177.24 1x94 n SER 22 N -2.11 0.16 -4.47 1.45 7.64 -0.72 -4.63 113.62 110.93 1x94 n SER 22 Ca 0.06 0.52 -0.39 0.00 1.01 0.00 0.00 58.87 60.07 1x94 n SER 22 Cb 0.40 -0.56 -0.11 0.00 -1.01 0.00 0.00 64.21 62.93 1x94 n SER 22 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x94 s ASP 23 N -3.30 5.67 0.57 6.43 -1.08 -1.22 -4.96 116.67 118.78 1x94 s ASP 23 Ca 0.13 -0.47 0.26 0.00 -0.52 0.00 0.00 52.55 51.95 1x94 s ASP 23 Cb 0.17 -2.04 1.68 0.00 -1.46 0.00 0.00 42.92 41.27 1x94 s ASP 23 CO 0.52 -0.19 2.22 0.44 0.52 0.00 0.00 175.17 178.68 1x94 h ASP 24 N 8.38 0.00 -0.67 -0.34 3.32 -1.89 -1.88 116.42 123.34 1x94 h ASP 24 Ca -0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1x94 h ASP 24 Cb 1.15 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1x94 h ASP 24 CO 0.61 0.01 0.37 -0.74 -1.72 0.00 0.00 179.24 177.77 1x94 h HIS 25 N 0.00 0.92 -0.31 4.55 2.76 -1.94 0.48 115.15 121.62 1x94 h HIS 25 Ca -0.00 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1x94 h HIS 25 Cb 0.02 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.65 1x94 h HIS 25 CO 0.00 0.66 0.12 -0.91 -1.30 0.00 0.00 177.93 176.50 1x94 h ASN 26 N 0.92 0.16 -0.87 3.26 -0.26 -1.62 0.10 115.58 117.27 1x94 h ASN 26 Ca 0.24 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 1x94 h ASN 26 Cb 0.04 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.27 1x94 h ASN 26 CO -0.04 0.13 0.43 0.40 -1.06 0.00 0.00 177.43 177.29 1x94 h ILE 27 N 0.27 1.26 -0.37 2.81 5.03 -1.39 -1.62 117.51 123.50 1x94 h ILE 27 Ca 0.14 -0.71 -0.09 0.00 -0.12 0.00 0.00 64.86 64.08 1x94 h ILE 27 Cb 0.09 0.13 -0.02 0.00 -3.03 0.00 0.00 36.82 33.99 1x94 h ILE 27 CO -0.12 0.31 -0.15 0.00 -0.68 0.00 0.00 178.15 177.51 1x94 h ALA 28 N 1.24 1.05 -0.69 1.87 0.00 -0.31 -2.55 119.26 119.86 1x94 h ALA 28 Ca 0.30 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1x94 h ALA 28 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1x94 h ALA 28 CO -0.04 0.58 0.14 1.96 0.00 0.00 0.00 179.25 181.89 1x94 h GLN 29 N 0.61 1.13 -0.78 0.00 1.08 -0.31 0.34 115.11 117.17 1x94 h GLN 29 Ca 0.10 -0.29 0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1x94 h GLN 29 Cb 0.60 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1x94 h GLN 29 CO 0.04 1.01 0.50 0.82 -0.95 0.00 0.00 178.83 180.25 1x94 h ILE 30 N 1.06 1.13 -0.34 2.54 2.04 -0.98 -1.03 117.51 121.92 1x94 h ILE 30 Ca 0.21 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 1x94 h ILE 30 Cb 0.41 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1x94 h ILE 30 CO 0.01 0.18 -0.34 -0.08 0.00 0.00 0.00 178.15 177.92 1x94 h GLU 31 N 0.98 0.76 0.00 2.37 4.81 -1.04 -2.53 114.58 119.94 1x94 h GLU 31 Ca 0.31 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1x94 h GLU 31 Cb -0.01 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1x94 h GLU 31 CO -0.11 0.98 -0.23 0.00 -0.73 0.00 0.00 179.01 178.92 1x94 h ALA 32 N 0.98 1.12 0.01 2.92 0.00 -0.47 -1.83 119.26 121.98 1x94 h ALA 32 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1x94 h ALA 32 Cb 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1x94 h ALA 32 CO 0.08 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.49 1x94 h ALA 33 N 1.77 0.01 -0.15 0.00 0.00 -0.96 -2.56 119.26 117.37 1x94 h ALA 33 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1x94 h ALA 33 Cb 0.65 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1x94 h ALA 33 CO 0.03 0.01 -0.16 0.00 0.00 0.00 0.00 179.25 179.13 1x94 h ALA 34 N 0.18 1.46 -0.11 0.00 0.00 -1.42 -2.46 119.26 116.91 1x94 h ALA 34 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1x94 h ALA 34 Cb 0.95 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x94 h ALA 34 CO 0.02 0.38 0.02 -0.22 0.00 0.00 0.00 179.25 179.46 1x94 h LYS 35 N 0.23 0.18 -0.20 0.00 3.11 -1.39 -0.97 116.57 117.53 1x94 h LYS 35 Ca 0.04 -0.05 0.05 0.00 -2.81 0.00 0.00 60.65 57.88 1x94 h LYS 35 Cb 0.42 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.58 1x94 h LYS 35 CO 0.03 0.38 -0.11 -0.07 -2.81 0.00 0.00 179.45 176.86 1x94 h LEU 36 N -0.04 -0.38 -0.48 5.20 3.38 -1.09 -0.34 115.31 121.56 1x94 h LEU 36 Ca 0.03 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1x94 h LEU 36 Cb 0.28 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1x94 h LEU 36 CO 0.00 -0.15 0.05 0.40 0.09 0.00 0.00 178.44 178.83 1x94 h ILE 37 N -0.10 1.25 -0.71 1.22 2.04 -1.42 -1.80 117.51 117.99 1x94 h ILE 37 Ca 0.11 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1x94 h ILE 37 Cb 0.27 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1x94 h ILE 37 CO -0.27 0.34 0.42 0.00 0.00 0.00 0.00 178.15 178.64 1x94 h ALA 38 N 0.95 0.90 -0.23 1.87 0.00 -0.90 0.16 119.26 122.01 1x94 h ALA 38 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x94 h ALA 38 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1x94 h ALA 38 CO 0.01 0.38 0.14 -0.44 0.00 0.00 0.00 179.25 179.35 1x94 h ASP 39 N 0.96 0.26 -0.44 0.00 3.32 -0.91 -1.11 116.42 118.51 1x94 h ASP 39 Ca 0.25 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1x94 h ASP 39 Cb -0.01 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 1x94 h ASP 39 CO -0.05 0.21 0.09 -1.28 -1.72 0.00 0.00 179.24 176.49 1x94 h SER 40 N 0.30 0.01 -0.78 6.45 0.87 -0.57 -0.90 113.55 118.92 1x94 h SER 40 Ca 0.08 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1x94 h SER 40 Cb -0.01 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 1x94 h SER 40 CO -0.02 0.04 0.45 -0.26 -0.53 0.00 0.00 176.83 176.51 1x94 h PHE 41 N 0.22 0.82 0.00 2.24 0.04 -0.23 0.41 116.94 120.44 1x94 h PHE 41 Ca 0.21 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1x94 h PHE 41 Cb 0.27 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1x94 h PHE 41 CO -0.21 0.36 0.00 1.63 -0.60 0.00 0.00 178.31 179.49 1x94 n LYS 42 N -4.74 0.54 -0.74 1.51 5.02 -0.36 -1.78 118.16 117.61 1x94 n LYS 42 Ca 0.12 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.46 1x94 n LYS 42 Cb 0.23 -1.37 0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1x94 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x94 n GLN 43 N -0.87 0.73 -1.07 1.97 -0.00 -0.52 -4.97 117.38 112.65 1x94 n GLN 43 Ca 0.10 -2.30 -0.02 0.00 -0.00 0.00 0.00 57.00 54.77 1x94 n GLN 43 Cb 0.04 -0.88 -0.01 0.00 -0.00 0.00 0.00 30.24 29.39 1x94 n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x94 n GLY 44 N -0.47 0.55 3.83 2.61 0.00 -0.74 -5.03 105.19 105.95 1x94 n GLY 44 Ca 0.11 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1x94 n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x94 s GLY 45 N -2.39 1.67 0.10 -0.02 0.00 0.13 -4.96 107.32 101.85 1x94 s GLY 45 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 1x94 s GLY 45 CO 0.00 -0.22 0.09 -1.59 0.00 0.00 0.00 173.10 171.38 1x94 s LYS 46 N -5.62 0.83 -0.14 2.90 -2.85 -1.26 -4.40 119.74 109.21 1x94 s LYS 46 Ca 0.69 -1.23 -0.03 0.00 -1.00 0.00 0.00 55.97 54.40 1x94 s LYS 46 Cb -0.09 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 35.93 1x94 s LYS 46 CO 0.53 -0.23 -0.05 0.08 0.10 0.00 0.00 175.35 175.77 1x94 s VAL 47 N -3.95 3.75 -0.25 1.79 1.01 0.30 -1.32 120.40 121.73 1x94 s VAL 47 Ca 0.13 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1x94 s VAL 47 Cb 0.07 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1x94 s VAL 47 CO -0.05 0.51 0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1x94 s LEU 48 N 0.23 3.31 0.21 3.92 1.43 0.47 -0.66 118.68 127.60 1x94 s LEU 48 Ca -0.04 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1x94 s LEU 48 Cb -0.14 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1x94 s LEU 48 CO 0.03 -0.06 0.05 -0.94 0.23 0.00 0.00 176.35 175.66 1x94 s SER 49 N 1.53 4.95 -0.16 2.29 1.04 -0.32 0.04 113.70 123.08 1x94 s SER 49 Ca 0.05 -0.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 1x94 s SER 49 Cb -0.15 -1.10 0.10 0.00 0.10 0.00 0.00 66.02 64.96 1x94 s SER 49 CO 0.01 0.05 0.85 0.00 0.98 0.00 0.00 173.24 175.12 1x94 s GLY 51 N -0.69 0.07 -0.41 0.00 0.00 -1.25 -1.80 107.32 103.24 1x94 s GLY 51 Ca -0.04 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.28 1x94 s GLY 51 CO 0.03 -0.06 0.14 -1.31 0.00 0.00 0.00 173.10 171.90 1x94 s ASN 52 N -2.99 4.46 0.34 1.64 0.01 -1.26 -4.10 114.94 113.03 1x94 s ASN 52 Ca 0.13 -2.44 0.00 0.00 -0.71 0.00 0.00 52.86 49.84 1x94 s ASN 52 Cb -0.05 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.09 1x94 s ASN 52 CO 0.08 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 1x94 n GLY 53 N 3.85 -4.97 4.44 0.66 0.00 -1.26 -4.18 105.19 103.73 1x94 n GLY 53 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1x94 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x94 n GLY 54 N 0.59 0.68 0.00 -0.02 0.00 -1.26 -3.95 105.19 101.23 1x94 n GLY 54 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1x94 n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x94 n SER 55 N 1.37 0.90 -0.07 1.61 7.64 -1.26 -3.95 113.62 119.85 1x94 n SER 55 Ca 0.00 -0.87 -0.11 0.00 1.01 0.00 0.00 58.87 58.90 1x94 n SER 55 Cb 0.00 0.97 0.02 0.00 -1.01 0.00 0.00 64.21 64.19 1x94 n SER 55 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1x94 h HIS 56 N 0.00 0.97 -0.42 1.43 2.76 -1.71 -1.70 115.15 116.47 1x94 h HIS 56 Ca 0.00 -0.30 -0.14 0.00 -2.20 0.00 0.00 60.37 57.73 1x94 h HIS 56 Cb 0.53 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1x94 h HIS 56 CO 0.00 1.08 -0.29 0.00 -1.30 0.00 0.00 177.93 177.42 1x94 h ASP 58 N 0.76 0.36 -0.62 0.00 5.19 -1.67 1.17 116.42 121.62 1x94 h ASP 58 Ca 0.08 -0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1x94 h ASP 58 Cb 0.87 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 1x94 h ASP 58 CO 0.08 0.37 0.41 0.00 -3.12 0.00 0.00 179.24 176.97 1x94 h ALA 59 N 1.01 1.63 -0.13 3.45 0.00 -1.17 -1.32 119.26 122.73 1x94 h ALA 59 Ca 0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1x94 h ALA 59 Cb 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1x94 h ALA 59 CO -0.01 0.32 -0.42 0.52 0.00 0.00 0.00 179.25 179.66 1x94 h MET 60 N 0.77 0.52 0.33 0.00 2.86 0.30 -2.99 114.93 116.71 1x94 h MET 60 Ca 0.24 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1x94 h MET 60 Cb 0.01 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1x94 h MET 60 CO -0.06 1.00 -0.22 0.45 1.06 0.00 0.00 176.91 179.14 1x94 h HIS 61 N 0.13 -0.57 -0.43 -0.22 -0.00 0.18 -2.44 115.15 111.80 1x94 h HIS 61 Ca -0.02 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.44 1x94 h HIS 61 Cb 1.05 0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 28.58 1x94 h HIS 61 CO 0.11 -0.33 -0.08 0.35 -0.00 0.00 0.00 177.93 177.97 1x94 h PHE 62 N -0.53 -0.18 0.16 2.45 3.57 -1.35 0.33 116.94 121.39 1x94 h PHE 62 Ca -0.03 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1x94 h PHE 62 Cb 0.45 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1x94 h PHE 62 CO -0.10 -0.16 -0.08 0.00 -2.23 0.00 0.00 178.31 175.73 1x94 h ALA 63 N 1.42 -0.22 0.00 2.41 0.00 -1.48 -0.50 119.26 120.90 1x94 h ALA 63 Ca 0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1x94 h ALA 63 Cb 0.32 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x94 h ALA 63 CO -0.43 -0.53 -0.41 1.05 0.00 0.00 0.00 179.25 178.93 1x94 h GLU 64 N -0.40 0.00 0.00 0.00 4.11 -1.28 -1.36 114.58 115.66 1x94 h GLU 64 Ca -0.02 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 1x94 h GLU 64 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x94 h GLU 64 CO 0.04 0.41 -0.38 1.49 0.07 0.00 0.00 179.01 180.64 1x94 h GLU 65 N 0.00 0.00 0.10 1.06 4.57 -0.19 -2.65 114.58 117.48 1x94 h GLU 65 Ca -0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.00 1x94 h GLU 65 Cb 0.76 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1x94 h GLU 65 CO 0.05 0.38 -0.75 -0.07 -1.18 0.00 0.00 179.01 177.44 1x94 h LEU 66 N 0.00 0.48 -0.81 1.64 3.38 -0.16 -3.27 115.31 116.58 1x94 h LEU 66 Ca -0.00 -0.90 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 1x94 h LEU 66 Cb 0.84 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1x94 h LEU 66 CO 0.05 1.34 0.48 0.74 0.09 0.00 0.00 178.44 181.14 1x94 h THR 67 N -0.31 1.23 -0.80 0.22 2.02 -1.23 -2.02 112.91 112.02 1x94 h THR 67 Ca -0.12 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.54 1x94 h THR 67 Cb 1.55 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1x94 h THR 67 CO 0.14 0.24 0.52 1.23 0.37 0.00 0.00 175.52 178.03 1x94 h GLY 68 N 1.11 1.12 1.61 2.16 0.00 -1.59 -1.65 103.07 105.83 1x94 h GLY 68 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1x94 h GLY 68 CO -0.05 0.42 -0.33 3.21 0.00 0.00 0.00 176.54 179.78 1x94 h ARG 69 N 1.08 0.00 0.00 4.80 3.08 -1.55 -3.37 114.38 118.41 1x94 h ARG 69 Ca 0.29 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 1x94 h ARG 69 Cb -0.11 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.75 1x94 h ARG 69 CO -0.06 0.00 -0.71 0.66 -1.07 0.00 0.00 179.97 178.78 1x94 n TYR 70 N -2.51 0.00 0.08 3.04 4.02 -0.78 -4.76 117.16 116.25 1x94 n TYR 70 Ca 0.04 -0.81 -0.16 0.00 -0.01 0.00 0.00 57.90 56.96 1x94 n TYR 70 Cb 0.48 -0.17 -0.14 0.00 -0.02 0.00 0.00 39.34 39.49 1x94 n TYR 70 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1x94 h ARG 71 N 0.80 0.24 -6.10 -0.72 2.43 -1.47 -3.42 114.38 106.13 1x94 h ARG 71 Ca -0.11 -0.41 -0.67 0.00 -0.81 0.00 0.00 59.98 57.98 1x94 h ARG 71 Cb 1.47 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 1x94 h ARG 71 CO 0.05 1.13 1.20 -0.85 -1.51 0.00 0.00 179.97 179.98 1x94 n GLU 72 N -3.46 1.39 -2.82 0.20 -0.00 -1.26 -1.94 120.64 112.75 1x94 n GLU 72 Ca -0.13 0.46 -0.20 0.00 -0.00 0.00 0.00 57.16 57.29 1x94 n GLU 72 Cb 1.03 -2.43 0.01 0.00 -0.00 0.00 0.00 31.44 30.06 1x94 n GLU 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1x94 n ASN 73 N 7.87 -5.28 -3.90 -1.84 4.13 -1.26 -4.98 115.26 109.99 1x94 n ASN 73 Ca 0.32 -0.15 -0.25 0.00 1.68 0.00 0.00 54.58 56.18 1x94 n ASN 73 Cb 0.22 -4.34 -0.17 0.00 -1.54 0.00 0.00 39.78 33.95 1x94 n ASN 73 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x94 s ARG 74 N -5.47 1.31 0.67 3.52 0.52 -0.82 -5.14 118.95 113.55 1x94 s ARG 74 Ca 0.19 -0.20 -0.15 0.00 -0.52 0.00 0.00 55.73 55.05 1x94 s ARG 74 Cb -0.09 -1.35 0.01 0.00 0.52 0.00 0.00 34.95 34.03 1x94 s ARG 74 CO 0.24 -0.20 1.11 -1.25 0.02 0.00 0.00 175.30 175.22 1x94 s PRO 75 N 1.47 2.71 3.06 3.54 0.04 -1.26 -4.82 135.00 139.74 1x94 s PRO 75 Ca -0.01 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1x94 s PRO 75 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1x94 s PRO 75 CO -0.05 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1x94 n GLY 76 N -0.52 0.04 3.13 0.56 0.00 -1.26 -4.77 105.19 102.37 1x94 n GLY 76 Ca 0.10 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1x94 n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x94 s TYR 77 N 0.00 2.30 0.32 1.61 1.51 -1.26 -5.00 117.35 116.84 1x94 s TYR 77 Ca 0.00 -1.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.00 1x94 s TYR 77 Cb 0.00 -1.59 0.55 0.00 -0.11 0.00 0.00 41.96 40.80 1x94 s TYR 77 CO 0.00 -0.49 1.95 -1.35 -1.11 0.00 0.00 175.55 174.54 1x94 h PRO 78 N 7.19 0.85 -4.07 -1.71 0.11 -1.86 -3.44 132.00 129.07 1x94 h PRO 78 Ca -0.29 -0.09 -0.33 0.00 0.11 0.00 0.00 66.00 65.41 1x94 h PRO 78 Cb 1.20 -0.17 -0.30 0.00 0.11 0.00 0.00 31.00 31.83 1x94 h PRO 78 CO 0.51 0.62 -0.75 0.20 -0.21 0.00 0.00 178.00 178.37 1x94 s GLY 79 N -3.52 0.24 -0.05 -0.55 0.00 -1.26 -0.54 107.32 101.65 1x94 s GLY 79 Ca -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1x94 s GLY 79 CO 0.78 0.08 -0.06 -0.42 0.00 0.00 0.00 173.10 173.48 1x94 s ILE 80 N 0.27 0.63 0.24 0.90 1.01 0.17 -4.60 121.20 119.82 1x94 s ILE 80 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1x94 s ILE 80 Cb -0.06 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1x94 s ILE 80 CO -0.00 0.24 0.45 0.00 0.00 0.00 0.00 174.94 175.63 1x94 s ALA 81 N 0.85 3.76 0.00 9.38 0.00 -1.26 -1.17 121.76 133.32 1x94 s ALA 81 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1x94 s ALA 81 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1x94 s ALA 81 CO 0.01 0.32 0.00 -0.89 0.00 0.00 0.00 175.76 175.20 1x94 n ILE 82 N -0.89 0.00 0.17 0.00 5.41 -0.93 -4.90 119.36 118.21 1x94 n ILE 82 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.73 1x94 n ILE 82 Cb 0.54 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.57 1x94 n ILE 82 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1x94 n ASP 98 N 0.00 0.00 -0.10 4.38 -0.08 -1.26 -4.92 116.55 114.58 1x94 n ASP 98 Ca 0.00 0.47 0.04 0.00 -1.51 0.00 0.00 54.79 53.79 1x94 n ASP 98 Cb 0.00 -0.48 0.05 0.00 2.34 0.00 0.00 41.12 43.04 1x94 n ASP 98 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1x94 n TYR 99 N -1.48 0.00 0.09 -0.67 4.02 -1.26 -4.06 117.16 113.81 1x94 n TYR 99 Ca 0.01 -0.55 -0.13 0.00 -0.01 0.00 0.00 57.90 57.22 1x94 n TYR 99 Cb 0.05 -0.08 -0.08 0.00 -0.02 0.00 0.00 39.34 39.21 1x94 n TYR 99 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1x94 h VAL 100 N 1.41 0.94 -0.54 -0.72 2.07 -1.99 -0.83 116.25 116.59 1x94 h VAL 100 Ca 0.00 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 1x94 h VAL 100 Cb 0.88 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1x94 h VAL 100 CO 0.00 0.13 -0.11 -0.26 0.02 0.00 0.00 177.57 177.35 1x94 h PHE 101 N -0.50 1.13 -0.59 1.57 0.04 -1.87 -2.74 116.94 113.98 1x94 h PHE 101 Ca -0.02 -0.23 -0.09 0.00 2.80 0.00 0.00 57.97 60.43 1x94 h PHE 101 Cb 0.38 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1x94 h PHE 101 CO 0.01 1.05 0.01 0.66 -0.60 0.00 0.00 178.31 179.45 1x94 h SER 102 N 0.90 0.99 -0.02 2.17 4.64 -1.74 -2.20 113.55 118.29 1x94 h SER 102 Ca 0.14 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1x94 h SER 102 Cb 0.67 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1x94 h SER 102 CO 0.05 1.03 -0.09 0.03 -0.87 0.00 0.00 176.83 176.98 1x94 h ARG 103 N 0.93 0.26 -0.18 4.77 3.08 -1.06 -2.10 114.38 120.08 1x94 h ARG 103 Ca 0.17 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.95 1x94 h ARG 103 Cb 0.52 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1x94 h ARG 103 CO 0.03 0.37 -0.73 -0.92 -1.07 0.00 0.00 179.97 177.65 1x94 h TYR 104 N 0.25 1.08 -0.52 3.04 3.20 -1.16 -2.57 116.97 120.29 1x94 h TYR 104 Ca 0.05 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1x94 h TYR 104 Cb 0.32 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1x94 h TYR 104 CO 0.01 1.29 0.34 0.28 -1.64 0.00 0.00 178.16 178.44 1x94 h VAL 105 N 0.56 1.14 -0.64 1.81 2.07 -1.07 -1.23 116.25 118.89 1x94 h VAL 105 Ca -0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1x94 h VAL 105 Cb 1.35 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1x94 h VAL 105 CO 0.15 0.14 0.33 -0.33 0.02 0.00 0.00 177.57 177.88 1x94 h GLU 106 N 0.71 0.89 0.02 1.57 5.08 -1.35 0.08 114.58 121.56 1x94 h GLU 106 Ca 0.19 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1x94 h GLU 106 Cb -0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1x94 h GLU 106 CO -0.04 0.67 -0.10 0.00 -1.00 0.00 0.00 179.01 178.53 1x94 h ALA 107 N 1.47 -0.01 0.00 3.43 0.00 -1.02 -3.40 119.26 119.73 1x94 h ALA 107 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1x94 h ALA 107 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x94 h ALA 107 CO -0.03 0.03 -0.70 1.33 0.00 0.00 0.00 179.25 179.87 1x94 n VAL 108 N -4.57 0.00 -2.41 0.00 0.24 -0.51 -5.01 118.33 106.08 1x94 n VAL 108 Ca -0.10 -0.19 -0.33 0.00 -2.04 0.00 0.00 64.34 61.67 1x94 n VAL 108 Cb 0.50 0.94 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 1x94 n VAL 108 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1x94 s GLY 109 N -2.36 2.26 0.05 7.63 0.00 0.01 -5.05 107.32 109.87 1x94 s GLY 109 Ca 0.04 0.40 -0.07 0.00 0.00 0.00 0.00 44.72 45.09 1x94 s GLY 109 CO 0.55 0.70 0.14 0.00 0.00 0.00 0.00 173.10 174.49 1x94 s ALA 110 N -2.32 -0.14 0.18 3.20 0.00 -1.26 -4.88 121.76 116.54 1x94 s ALA 110 Ca 0.63 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.74 1x94 s ALA 110 Cb -0.13 0.32 -0.16 0.00 0.00 0.00 0.00 23.12 23.14 1x94 s ALA 110 CO 0.27 -0.38 0.86 1.17 0.00 0.00 0.00 175.76 177.67 1x94 n LYS 111 N 0.48 0.57 0.00 0.00 3.00 -1.23 -0.76 118.16 120.21 1x94 n LYS 111 Ca -0.17 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1x94 n LYS 111 Cb 0.60 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.16 1x94 n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x94 n GLY 112 N 1.77 2.19 3.80 3.14 0.00 -0.87 -4.97 105.19 110.24 1x94 n GLY 112 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1x94 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x94 s ASP 113 N -3.45 3.70 -0.05 1.61 1.01 0.06 -4.67 116.67 114.88 1x94 s ASP 113 Ca 0.00 0.99 0.03 0.00 0.71 0.00 0.00 52.55 54.28 1x94 s ASP 113 Cb 0.00 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1x94 s ASP 113 CO 0.00 -2.43 -0.14 -0.69 0.21 0.00 0.00 175.17 172.11 1x94 s VAL 114 N -3.29 1.25 -0.24 -1.27 1.01 -0.43 -2.22 120.40 115.20 1x94 s VAL 114 Ca 0.63 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 1x94 s VAL 114 Cb -0.14 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1x94 s VAL 114 CO 0.53 0.37 0.27 -0.22 0.00 0.00 0.00 175.10 176.05 1x94 s LEU 115 N 0.27 4.10 -0.33 3.92 2.96 -0.59 -0.39 118.68 128.62 1x94 s LEU 115 Ca -0.08 0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1x94 s LEU 115 Cb -0.13 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.34 1x94 s LEU 115 CO 0.03 -0.03 0.07 0.12 -1.32 0.00 0.00 176.35 175.22 1x94 s PHE 116 N 1.39 3.30 -0.04 5.38 5.36 0.11 -0.51 117.98 132.96 1x94 s PHE 116 Ca 0.12 -1.76 0.06 0.00 -0.96 0.00 0.00 56.93 54.39 1x94 s PHE 116 Cb -0.15 -2.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.18 1x94 s PHE 116 CO 0.07 -0.80 -0.20 0.20 -1.46 0.00 0.00 175.22 173.03 1x94 s GLY 117 N 1.40 1.40 -0.11 13.12 0.00 0.46 -1.66 107.32 121.93 1x94 s GLY 117 Ca -0.02 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.68 1x94 s GLY 117 CO 0.00 -0.83 -0.22 1.08 0.00 0.00 0.00 173.10 173.13 1x94 s LEU 118 N -0.64 2.03 -0.27 0.66 1.43 -0.74 -0.14 118.68 121.01 1x94 s LEU 118 Ca 0.10 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1x94 s LEU 118 Cb -0.10 -1.35 0.16 0.00 0.03 0.00 0.00 46.19 44.92 1x94 s LEU 118 CO -0.00 0.11 0.44 -0.55 0.23 0.00 0.00 176.35 176.59 1x94 s SER 119 N 0.56 -0.17 0.44 2.29 0.15 -0.65 -4.37 113.70 111.96 1x94 s SER 119 Ca -0.14 0.18 0.23 0.00 0.70 0.00 0.00 55.95 56.92 1x94 s SER 119 Cb -0.17 1.38 1.23 0.00 -1.71 0.00 0.00 66.02 66.75 1x94 s SER 119 CO 0.04 -0.31 1.80 0.71 1.20 0.00 0.00 173.24 176.68 1x94 h THR 120 N 6.13 0.52 0.00 6.45 1.35 -1.90 -1.42 112.91 124.04 1x94 h THR 120 Ca -0.16 -0.10 -0.26 0.00 -0.55 0.00 0.00 66.41 65.35 1x94 h THR 120 Cb 1.15 0.21 -0.05 0.00 -1.73 0.00 0.00 68.15 67.74 1x94 h THR 120 CO 0.26 0.05 -1.88 -1.54 -0.25 0.00 0.00 175.52 172.16 1x94 n SER 121 N -4.49 0.50 0.00 5.36 3.41 -1.26 -1.34 113.62 115.79 1x94 n SER 121 Ca 0.24 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1x94 n SER 121 Cb 0.94 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 1x94 n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x94 n GLY 122 N 1.55 0.76 0.49 5.00 0.00 -0.53 -2.73 105.19 109.73 1x94 n GLY 122 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1x94 n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x94 n ASN 123 N 0.00 2.97 -4.61 1.61 3.02 -1.26 -0.91 115.26 116.08 1x94 n ASN 123 Ca 0.00 -3.13 -0.43 0.00 -0.03 0.00 0.00 54.58 50.99 1x94 n ASN 123 Cb 0.00 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 1x94 n ASN 123 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x94 s SER 124 N -2.48 6.27 0.19 6.41 0.01 -1.26 -4.92 113.70 117.91 1x94 s SER 124 Ca 0.37 1.25 -0.16 0.00 1.31 0.00 0.00 55.95 58.72 1x94 s SER 124 Cb 0.32 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 64.17 1x94 s SER 124 CO 0.05 -1.41 1.64 1.23 0.41 0.00 0.00 173.24 175.16 1x94 h GLY 125 N 12.28 0.30 1.57 3.44 0.00 -1.95 -0.45 103.07 118.27 1x94 h GLY 125 Ca -0.31 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1x94 h GLY 125 CO 1.04 -0.20 0.19 3.45 0.00 0.00 0.00 176.54 181.02 1x94 h ASN 126 N -0.03 0.51 0.77 0.19 7.08 -1.92 0.49 115.58 122.67 1x94 h ASN 126 Ca 0.24 -0.04 -0.19 0.00 -3.08 0.00 0.00 56.30 53.23 1x94 h ASN 126 Cb 0.40 -0.13 -0.02 0.00 -2.08 0.00 0.00 38.32 36.49 1x94 h ASN 126 CO -0.53 0.44 -0.87 0.40 -2.08 0.00 0.00 177.43 174.79 1x94 h ILE 127 N 0.57 1.57 -0.36 6.14 2.04 -1.72 -0.06 117.51 125.70 1x94 h ILE 127 Ca 0.14 -2.83 -0.04 0.00 1.00 0.00 0.00 64.86 63.14 1x94 h ILE 127 Cb 0.07 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1x94 h ILE 127 CO -0.02 0.81 0.08 -0.07 0.00 0.00 0.00 178.15 178.96 1x94 h LEU 128 N 0.03 0.55 -0.07 1.44 3.38 -0.22 0.43 115.31 120.85 1x94 h LEU 128 Ca -0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1x94 h LEU 128 Cb 1.51 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1x94 h LEU 128 CO 0.12 0.65 0.04 0.11 0.09 0.00 0.00 178.44 179.45 1x94 h LYS 129 N 0.44 0.10 -0.94 1.13 1.79 -0.83 -1.95 116.57 116.31 1x94 h LYS 129 Ca 0.11 -0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.76 1x94 h LYS 129 Cb 0.31 -0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.83 1x94 h LYS 129 CO 0.00 0.12 0.52 0.00 -1.08 0.00 0.00 179.45 179.01 1x94 h ALA 130 N 0.97 1.53 -0.39 3.86 0.00 -0.62 -0.25 119.26 124.35 1x94 h ALA 130 Ca 0.03 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1x94 h ALA 130 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1x94 h ALA 130 CO -0.00 -0.14 0.11 0.82 0.00 0.00 0.00 179.25 180.04 1x94 h ILE 131 N 0.64 1.22 -0.33 0.00 2.04 -0.40 -1.24 117.51 119.44 1x94 h ILE 131 Ca 0.55 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1x94 h ILE 131 Cb 0.90 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1x94 h ILE 131 CO -0.41 0.26 0.21 -0.08 0.00 0.00 0.00 178.15 178.13 1x94 h GLU 132 N 0.49 0.44 -0.90 2.37 4.57 -0.34 -0.98 114.58 120.22 1x94 h GLU 132 Ca 0.13 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1x94 h GLU 132 Cb 0.28 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1x94 h GLU 132 CO -0.00 0.30 0.52 0.00 -1.18 0.00 0.00 179.01 178.65 1x94 h ALA 133 N 1.11 1.16 -0.15 2.92 0.00 -1.20 -1.17 119.26 121.93 1x94 h ALA 133 Ca 0.12 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1x94 h ALA 133 Cb -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1x94 h ALA 133 CO -0.03 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.78 1x94 h ALA 134 N 1.29 0.05 0.16 0.00 0.00 -0.53 0.11 119.26 120.35 1x94 h ALA 134 Ca 0.32 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1x94 h ALA 134 Cb -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1x94 h ALA 134 CO -0.06 -0.52 -0.20 0.87 0.00 0.00 0.00 179.25 179.34 1x94 h LYS 135 N -0.06 -0.40 -0.22 0.00 1.57 -0.74 0.94 116.57 117.65 1x94 h LYS 135 Ca 0.09 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1x94 h LYS 135 Cb 0.19 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1x94 h LYS 135 CO -0.19 -0.27 0.36 0.00 -0.57 0.00 0.00 179.45 178.78 1x94 h ALA 136 N 0.35 1.77 0.00 3.86 0.00 -0.63 0.48 119.26 125.10 1x94 h ALA 136 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x94 h ALA 136 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x94 h ALA 136 CO -0.08 -0.48 -0.58 1.63 0.00 0.00 0.00 179.25 179.74 1x94 n LYS 137 N -3.41 0.08 -1.75 0.00 4.76 -0.03 -4.93 118.16 112.87 1x94 n LYS 137 Ca 0.03 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1x94 n LYS 137 Cb 0.48 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1x94 n LYS 137 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x94 n GLY 138 N 1.46 0.79 3.71 0.72 0.00 0.17 -3.53 105.19 108.51 1x94 n GLY 138 Ca 0.05 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1x94 n GLY 138 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x94 s MET 139 N -3.63 3.01 0.57 1.61 -1.94 0.18 -2.05 119.30 117.05 1x94 s MET 139 Ca 0.00 -0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 53.43 1x94 s MET 139 Cb 0.00 -2.82 -0.06 0.00 2.01 0.00 0.00 34.83 33.96 1x94 s MET 139 CO 0.00 0.70 1.02 0.21 -0.01 0.00 0.00 175.02 176.94 1x94 s LYS 140 N -0.99 3.67 -0.01 2.03 2.47 -0.94 -4.09 119.74 121.87 1x94 s LYS 140 Ca 0.14 0.97 0.03 0.00 -1.56 0.00 0.00 55.97 55.55 1x94 s LYS 140 Cb -0.11 -2.09 -0.00 0.00 -1.46 0.00 0.00 37.83 34.16 1x94 s LYS 140 CO 0.04 -0.51 -0.09 0.95 0.16 0.00 0.00 175.35 175.90 1x94 s THR 141 N -2.72 0.70 -0.04 3.43 -4.23 -1.26 -1.54 115.64 109.98 1x94 s THR 141 Ca 0.59 -0.37 0.05 0.00 -1.18 0.00 0.00 61.69 60.79 1x94 s THR 141 Cb -0.12 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.11 1x94 s THR 141 CO 0.39 0.21 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.85 1x94 s ILE 142 N -0.11 1.56 -0.06 2.99 1.01 0.33 -0.31 121.20 126.61 1x94 s ILE 142 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 1x94 s ILE 142 Cb -0.05 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.13 1x94 s ILE 142 CO -0.00 0.44 -0.02 0.00 0.00 0.00 0.00 174.94 175.36 1x94 s ALA 143 N -0.16 0.74 -0.35 9.38 0.00 -0.68 -0.40 121.76 130.28 1x94 s ALA 143 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 1x94 s ALA 143 Cb -0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1x94 s ALA 143 CO 0.01 -0.29 0.33 -0.51 0.00 0.00 0.00 175.76 175.30 1x94 s LEU 144 N 1.56 4.55 0.00 0.00 1.43 0.80 -0.68 118.68 126.34 1x94 s LEU 144 Ca -0.01 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1x94 s LEU 144 Cb -0.13 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 1x94 s LEU 144 CO -0.04 -0.34 0.00 0.35 0.23 0.00 0.00 176.35 176.55 1x94 n THR 145 N 5.22 0.00 -3.52 5.49 -2.24 0.52 -1.63 114.28 118.12 1x94 n THR 145 Ca -0.10 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1x94 n THR 145 Cb 0.49 0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1x94 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x94 n GLY 146 N 3.99 2.36 7.00 3.38 0.00 -0.45 -1.03 105.19 120.44 1x94 n GLY 146 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1x94 n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x94 n LYS 147 N -0.17 0.00 -0.11 1.61 5.02 -0.69 -1.31 118.16 122.50 1x94 n LYS 147 Ca -0.01 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 1x94 n LYS 147 Cb 0.18 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.41 1x94 n LYS 147 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1x94 n ASP 148 N 7.79 3.02 0.00 4.39 5.68 -1.26 -4.54 116.55 131.63 1x94 n ASP 148 Ca 0.00 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1x94 n ASP 148 Cb 0.00 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1x94 n ASP 148 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x94 n GLY 149 N 1.40 0.92 7.00 6.12 0.00 -0.43 -4.93 105.19 115.28 1x94 n GLY 149 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1x94 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x94 n GLY 150 N -2.00 0.83 0.18 -0.02 0.00 -1.10 -1.92 105.19 101.16 1x94 n GLY 150 Ca 0.00 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.43 1x94 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x94 h LYS 151 N 0.00 0.00 0.00 1.61 1.57 -1.67 -3.12 116.57 114.96 1x94 h LYS 151 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1x94 h LYS 151 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x94 h LYS 151 CO 0.00 0.00 -0.04 0.52 -0.57 0.00 0.00 179.45 179.36 1x94 h MET 152 N 0.00 0.00 -6.57 3.15 2.86 -0.79 -3.40 114.93 110.17 1x94 h MET 152 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1x94 h MET 152 Cb 0.64 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.31 1x94 h MET 152 CO 0.00 0.04 0.57 0.00 1.06 0.00 0.00 176.91 178.58 1x94 s ALA 153 N -3.85 3.42 0.00 6.32 0.00 -0.81 -2.15 121.76 124.70 1x94 s ALA 153 Ca -0.01 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1x94 s ALA 153 Cb 0.11 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1x94 s ALA 153 CO 0.53 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1x94 n GLY 154 N 2.75 1.36 0.22 0.00 0.00 -1.26 -4.85 105.19 103.40 1x94 n GLY 154 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1x94 n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x94 n LEU 155 N 0.00 2.34 -4.80 0.99 4.77 -0.91 -5.01 117.00 114.38 1x94 n LEU 155 Ca 0.00 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 1x94 n LEU 155 Cb 0.00 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1x94 n LEU 155 CO 0.00 0.63 0.72 0.00 -1.33 0.00 0.00 177.39 177.41 1x94 s ALA 156 N -2.33 2.74 0.24 -1.18 0.00 -1.11 -4.92 121.76 115.19 1x94 s ALA 156 Ca -0.24 0.48 0.18 0.00 0.00 0.00 0.00 51.96 52.38 1x94 s ALA 156 Cb 0.07 -3.25 0.76 0.00 0.00 0.00 0.00 23.12 20.70 1x94 s ALA 156 CO 0.36 -0.74 1.78 -0.44 0.00 0.00 0.00 175.76 176.72 1x94 h ASP 157 N 0.68 0.00 -3.15 0.00 5.19 -1.05 -3.41 116.42 114.68 1x94 h ASP 157 Ca -0.48 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.68 1x94 h ASP 157 Cb 1.22 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.40 1x94 h ASP 157 CO 0.57 0.36 -0.59 -0.69 -3.12 0.00 0.00 179.24 175.78 1x94 s VAL 158 N -3.77 -0.22 -0.07 -1.35 1.01 -1.07 -5.03 120.40 109.91 1x94 s VAL 158 Ca -0.01 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1x94 s VAL 158 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1x94 s VAL 158 CO 0.68 0.11 -0.14 -0.70 0.00 0.00 0.00 175.10 175.06 1x94 s GLU 159 N 1.94 2.75 -0.32 2.72 2.12 -1.26 -1.69 118.70 124.96 1x94 s GLU 159 Ca -0.02 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.66 1x94 s GLU 159 Cb -0.12 -2.46 0.09 0.00 0.26 0.00 0.00 34.13 31.91 1x94 s GLU 159 CO -0.07 0.52 0.03 0.42 -0.54 0.00 0.00 175.26 175.63 1x94 s ILE 160 N -0.46 1.94 -0.20 -3.70 1.01 0.15 -4.90 121.20 115.05 1x94 s ILE 160 Ca 0.06 -2.01 -0.08 0.00 0.00 0.00 0.00 60.65 58.62 1x94 s ILE 160 Cb -0.12 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1x94 s ILE 160 CO 0.02 -0.52 0.07 -0.60 0.00 0.00 0.00 174.94 173.91 1x94 s ARG 161 N 1.10 3.91 -0.14 2.79 3.52 -1.26 -0.36 118.95 128.50 1x94 s ARG 161 Ca 0.07 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.01 1x94 s ARG 161 Cb -0.19 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1x94 s ARG 161 CO -0.11 0.15 1.03 0.08 -0.81 0.00 0.00 175.30 175.64 1x94 s VAL 162 N 0.71 4.73 -0.98 7.11 1.01 -0.20 -4.93 120.40 127.85 1x94 s VAL 162 Ca 0.04 2.02 -0.21 0.00 0.00 0.00 0.00 61.98 63.83 1x94 s VAL 162 Cb -0.13 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 1x94 s VAL 162 CO 0.02 -0.06 1.96 -0.81 0.00 0.00 0.00 175.10 176.22 1x94 n PRO 163 N 5.45 1.84 -3.65 2.72 -0.04 -1.26 -3.43 135.00 136.62 1x94 n PRO 163 Ca 0.10 -2.16 -0.06 0.00 -0.04 0.00 0.00 63.50 61.34 1x94 n PRO 163 Cb 0.48 -3.16 -0.07 0.00 -0.04 0.00 0.00 33.50 30.71 1x94 n PRO 163 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1x94 s HIS 164 N 5.74 -1.06 -0.51 0.54 5.04 -1.26 -4.91 115.29 118.88 1x94 s HIS 164 Ca 0.58 2.01 -0.10 0.00 -1.54 0.00 0.00 55.06 56.00 1x94 s HIS 164 Cb 0.11 0.60 0.13 0.00 0.04 0.00 0.00 32.58 33.46 1x94 s HIS 164 CO 0.09 -0.54 0.40 0.12 -2.34 0.00 0.00 174.74 172.47 1x94 s PHE 165 N 2.09 3.41 0.00 3.88 5.36 -1.26 -1.71 117.98 129.75 1x94 s PHE 165 Ca -0.08 -1.82 0.00 0.00 -0.96 0.00 0.00 56.93 54.08 1x94 s PHE 165 Cb -0.08 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 1x94 s PHE 165 CO -0.18 -0.99 0.00 0.41 -1.46 0.00 0.00 175.22 173.00 1x94 n GLY 166 N 4.86 0.84 3.44 13.12 0.00 -1.26 -5.06 105.19 121.14 1x94 n GLY 166 Ca -0.07 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1x94 n GLY 166 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x94 s TYR 167 N -2.01 0.80 0.14 1.61 5.04 -1.26 -4.96 117.35 116.72 1x94 s TYR 167 Ca 0.00 0.96 -0.12 0.00 -2.44 0.00 0.00 57.07 55.47 1x94 s TYR 167 Cb 0.00 -3.05 -0.01 0.00 0.35 0.00 0.00 41.96 39.25 1x94 s TYR 167 CO 0.00 -4.21 1.54 0.00 -1.34 0.00 0.00 175.55 171.54 1x94 h ALA 168 N -2.87 0.61 -0.71 3.97 0.00 -1.99 -3.37 119.26 114.90 1x94 h ALA 168 Ca -0.57 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.08 1x94 h ALA 168 Cb 1.34 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 1x94 h ALA 168 CO 0.45 0.53 -0.35 -0.25 0.00 0.00 0.00 179.25 179.62 1x94 n ASP 169 N -4.24 -0.61 0.07 0.00 8.00 -1.26 -0.48 116.55 118.01 1x94 n ASP 169 Ca -0.01 1.26 0.02 0.00 0.71 0.00 0.00 54.79 56.77 1x94 n ASP 169 Cb 0.40 -0.22 0.37 0.00 -0.02 0.00 0.00 41.12 41.64 1x94 n ASP 169 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1x94 h ARG 170 N 0.00 0.37 0.02 -1.24 2.47 -1.97 -1.88 114.38 112.15 1x94 h ARG 170 Ca 0.18 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1x94 h ARG 170 Cb 0.36 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1x94 h ARG 170 CO -0.69 0.43 -0.01 0.82 0.56 0.00 0.00 179.97 181.08 1x94 h ILE 171 N 0.36 1.48 -0.87 2.04 2.04 -0.99 -3.12 117.51 118.45 1x94 h ILE 171 Ca 0.08 -1.80 0.16 0.00 1.00 0.00 0.00 64.86 64.29 1x94 h ILE 171 Cb 0.30 2.65 -0.10 0.00 -0.74 0.00 0.00 36.82 38.93 1x94 h ILE 171 CO 0.01 0.45 0.45 -0.61 0.00 0.00 0.00 178.15 178.45 1x94 h GLN 172 N -0.84 0.60 0.00 2.37 4.15 -1.04 0.17 115.11 120.51 1x94 h GLN 172 Ca -0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1x94 h GLN 172 Cb 0.75 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 1x94 h GLN 172 CO 0.00 0.40 -0.01 0.93 -1.93 0.00 0.00 178.83 178.22 1x94 h GLU 173 N 0.62 0.00 0.04 1.69 5.08 -1.40 -1.61 114.58 119.00 1x94 h GLU 173 Ca 0.49 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.53 1x94 h GLU 173 Cb 0.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1x94 h GLU 173 CO -0.38 0.01 -1.79 0.28 -1.00 0.00 0.00 179.01 176.12 1x94 n VAL 174 N -4.49 1.67 -0.14 3.13 0.31 0.30 -3.57 118.33 115.53 1x94 n VAL 174 Ca -0.03 -0.75 -0.04 0.00 -0.01 0.00 0.00 64.34 63.50 1x94 n VAL 174 Cb 0.09 -1.26 0.04 0.00 -0.91 0.00 0.00 33.84 31.80 1x94 n VAL 174 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1x94 h HIS 175 N 0.02 0.28 -0.49 3.52 3.86 -0.14 0.14 115.15 122.35 1x94 h HIS 175 Ca -0.33 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 58.87 1x94 h HIS 175 Cb 2.02 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 30.41 1x94 h HIS 175 CO 0.02 0.10 0.18 0.97 0.86 0.00 0.00 177.93 180.06 1x94 h ILE 176 N 0.33 1.19 -0.58 2.45 6.09 -1.46 -1.10 117.51 124.42 1x94 h ILE 176 Ca 0.21 -0.61 -0.09 0.00 -1.37 0.00 0.00 64.86 63.00 1x94 h ILE 176 Cb 0.20 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 38.10 1x94 h ILE 176 CO -0.21 0.24 0.01 0.11 -3.07 0.00 0.00 178.15 175.22 1x94 h LYS 177 N 0.70 1.02 -0.53 2.19 1.57 -1.28 -2.40 116.57 117.83 1x94 h LYS 177 Ca 0.17 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1x94 h LYS 177 Cb 0.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1x94 h LYS 177 CO -0.01 1.01 0.30 0.82 -0.57 0.00 0.00 179.45 181.00 1x94 h ILE 178 N 0.91 1.17 -0.48 1.86 2.04 -0.33 -2.41 117.51 120.27 1x94 h ILE 178 Ca 0.17 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1x94 h ILE 178 Cb 0.54 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1x94 h ILE 178 CO 0.03 0.18 0.30 0.40 0.00 0.00 0.00 178.15 179.06 1x94 h ILE 179 N 0.72 1.08 -0.17 -0.67 2.04 -1.02 0.24 117.51 119.72 1x94 h ILE 179 Ca 0.19 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1x94 h ILE 179 Cb 0.03 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1x94 h ILE 179 CO -0.03 0.11 0.11 0.45 0.00 0.00 0.00 178.15 178.79 1x94 h HIS 180 N 0.61 0.21 -0.49 1.37 3.86 -1.27 -1.14 115.15 118.30 1x94 h HIS 180 Ca 0.19 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1x94 h HIS 180 Cb -0.02 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1x94 h HIS 180 CO -0.06 0.13 0.24 0.82 0.86 0.00 0.00 177.93 179.93 1x94 h ILE 181 N 0.23 1.19 -0.92 2.45 2.04 -1.16 -2.53 117.51 118.81 1x94 h ILE 181 Ca 0.06 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1x94 h ILE 181 Cb -0.02 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 1x94 h ILE 181 CO -0.02 0.20 0.59 0.40 0.00 0.00 0.00 178.15 179.32 1x94 h ILE 182 N 0.65 1.24 -0.59 -0.67 2.04 -0.19 -0.40 117.51 119.60 1x94 h ILE 182 Ca 0.17 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1x94 h ILE 182 Cb 0.10 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.07 1x94 h ILE 182 CO -0.02 0.24 0.28 0.40 0.00 0.00 0.00 178.15 179.05 1x94 h ILE 183 N 1.25 1.21 0.00 -0.67 2.04 -0.93 -1.51 117.51 118.90 1x94 h ILE 183 Ca 0.33 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1x94 h ILE 183 Cb -0.11 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1x94 h ILE 183 CO -0.07 0.24 -0.52 1.56 0.00 0.00 0.00 178.15 179.36 1x94 h GLN 184 N 0.80 0.00 0.00 2.37 4.20 -1.05 -2.90 115.11 118.53 1x94 h GLN 184 Ca 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1x94 h GLN 184 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1x94 h GLN 184 CO -0.02 0.52 -0.23 1.25 -0.67 0.00 0.00 178.83 179.68 1x94 h LEU 185 N 0.00 0.00 -0.41 1.46 5.85 -0.57 -2.91 115.31 118.72 1x94 h LEU 185 Ca -0.01 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1x94 h LEU 185 Cb 0.98 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1x94 h LEU 185 CO 0.07 0.23 -0.59 0.40 -0.34 0.00 0.00 178.44 178.21 1x94 h ILE 186 N 0.00 1.31 -0.08 4.05 2.04 -1.08 1.19 117.51 124.95 1x94 h ILE 186 Ca -0.00 -1.83 0.02 0.00 1.00 0.00 0.00 64.86 64.05 1x94 h ILE 186 Cb 0.91 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1x94 h ILE 186 CO 0.03 0.58 -0.06 -0.08 0.00 0.00 0.00 178.15 178.61 1x94 h GLU 187 N 0.49 -0.07 0.14 2.37 4.81 -1.51 -1.44 114.58 119.37 1x94 h GLU 187 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.94 1x94 h GLU 187 Cb 1.16 0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.59 1x94 h GLU 187 CO 0.12 -0.05 -1.27 -0.22 -0.73 0.00 0.00 179.01 176.85 1x94 h LYS 188 N -0.08 0.56 0.00 1.92 3.64 -1.45 -3.09 116.57 118.08 1x94 h LYS 188 Ca 0.06 -0.79 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 1x94 h LYS 188 Cb 0.16 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1x94 h LYS 188 CO -0.13 1.36 0.00 -1.91 -2.27 0.00 0.00 179.45 176.50 1x94 n GLU 189 N -3.75 0.16 -2.85 1.90 0.00 0.41 -3.25 120.64 113.27 1x94 n GLU 189 Ca -0.13 0.14 -0.11 0.00 0.00 0.00 0.00 57.16 57.06 1x94 n GLU 189 Cb 1.00 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.98 1x94 n GLU 189 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1x94 n MET 190 N -1.20 0.84 0.00 5.31 1.56 -0.56 -4.90 117.12 118.17 1x94 n MET 190 Ca 0.05 -2.13 0.00 0.00 -0.27 0.00 0.00 57.70 55.35 1x94 n MET 190 Cb 0.05 -1.34 0.00 0.00 2.15 0.00 0.00 33.22 34.08 1x94 n MET 190 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24