#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s80 h LEU 1 N 0.00 0.08 -0.67 2.46 6.46 -1.99 -2.95 115.31 118.70 1s80 h LEU 1 Ca 0.00 -0.11 0.14 0.00 -0.12 0.00 0.00 57.88 57.79 1s80 h LEU 1 Cb 0.00 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 39.80 1s80 h LEU 1 CO 0.00 0.17 0.08 0.74 -0.62 0.00 0.00 178.44 178.81 1s80 h THR 2 N -0.01 0.50 -0.30 1.05 2.02 -1.93 0.11 112.91 114.35 1s80 h THR 2 Ca 0.02 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.99 1s80 h THR 2 Cb 0.11 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1s80 h THR 2 CO -0.00 0.03 -0.41 0.25 0.37 0.00 0.00 175.52 175.76 1s80 h LEU 3 N 0.18 0.78 -0.36 2.58 5.85 -2.00 -2.03 115.31 120.31 1s80 h LEU 3 Ca 0.36 -0.35 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 1s80 h LEU 3 Cb 0.60 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1s80 h LEU 3 CO -0.52 1.09 -0.42 0.44 -0.34 0.00 0.00 178.44 178.68 1s80 h ASP 4 N 0.59 1.00 0.44 1.25 3.32 -0.93 -1.75 116.42 120.34 1s80 h ASP 4 Ca 0.05 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1s80 h ASP 4 Cb 0.95 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1s80 h ASP 4 CO 0.09 1.28 -0.21 0.58 -1.72 0.00 0.00 179.24 179.26 1s80 h VAL 5 N 0.74 0.57 -0.89 -1.35 2.07 -0.82 -1.14 116.25 115.43 1s80 h VAL 5 Ca 0.05 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.70 1s80 h VAL 5 Cb 1.02 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.28 1s80 h VAL 5 CO 0.10 0.01 0.48 -0.25 0.02 0.00 0.00 177.57 177.92 1s80 h TRP 6 N -0.61 0.83 -0.14 1.57 -0.00 -1.35 -0.84 115.95 115.41 1s80 h TRP 6 Ca -0.06 0.03 -0.16 0.00 -0.00 0.00 0.00 58.89 58.71 1s80 h TRP 6 Cb 0.47 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.39 1s80 h TRP 6 CO -0.04 0.18 -0.57 1.96 -0.00 0.00 0.00 178.44 179.96 1s80 h GLN 7 N 0.64 0.45 -0.32 2.65 4.20 -1.07 -1.69 115.11 119.97 1s80 h GLN 7 Ca 0.50 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1s80 h GLN 7 Cb 0.75 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1s80 h GLN 7 CO -0.38 0.90 0.19 0.45 -0.67 0.00 0.00 178.83 179.31 1s80 h HIS 8 N 0.34 0.43 -0.10 2.96 3.86 -0.28 -2.47 115.15 119.88 1s80 h HIS 8 Ca 0.00 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1s80 h HIS 8 Cb 1.10 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 1s80 h HIS 8 CO 0.04 0.32 -0.05 0.82 0.86 0.00 0.00 177.93 179.92 1s80 h ILE 9 N 0.41 0.84 -0.61 2.45 2.04 -0.95 -1.80 117.51 119.90 1s80 h ILE 9 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 1s80 h ILE 9 Cb 0.02 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1s80 h ILE 9 CO -0.02 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.47 1s80 h ARG 10 N -0.04 0.56 -0.96 2.37 3.08 -1.28 -0.42 114.38 117.70 1s80 h ARG 10 Ca 0.06 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1s80 h ARG 10 Cb 0.12 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1s80 h ARG 10 CO -0.13 0.37 0.63 0.37 -1.07 0.00 0.00 179.97 180.15 1s80 h GLN 11 N 0.58 1.24 0.03 0.04 4.15 -1.11 -1.11 115.11 118.92 1s80 h GLN 11 Ca 0.28 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1s80 h GLN 11 Cb 0.21 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1s80 h GLN 11 CO -0.20 0.82 -0.01 0.93 -1.93 0.00 0.00 178.83 178.44 1s80 h GLU 12 N 1.27 -0.03 -0.97 1.69 5.08 -0.83 -3.18 114.58 117.60 1s80 h GLU 12 Ca 0.36 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 59.02 1s80 h GLU 12 Cb -0.10 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.01 1s80 h GLU 12 CO -0.09 0.49 0.49 0.00 -1.00 0.00 0.00 179.01 178.90 1s80 h ALA 13 N 0.36 1.78 -0.47 3.43 0.00 -0.82 0.16 119.26 123.71 1s80 h ALA 13 Ca -0.00 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1s80 h ALA 13 Cb 0.54 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1s80 h ALA 13 CO 0.01 -0.53 0.31 0.87 0.00 0.00 0.00 179.25 179.91 1s80 h LYS 14 N 0.31 0.61 0.14 0.00 1.57 -1.19 -1.37 116.57 116.64 1s80 h LYS 14 Ca 0.69 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 59.16 1s80 h LYS 14 Cb 1.51 -0.14 0.03 0.00 0.08 0.00 0.00 32.23 33.71 1s80 h LYS 14 CO -0.61 0.41 -1.15 0.93 -0.57 0.00 0.00 179.45 178.45 1s80 h GLU 15 N 0.63 0.54 -0.71 3.15 5.08 -1.09 -2.98 114.58 119.19 1s80 h GLU 15 Ca 0.17 -0.76 0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1s80 h GLU 15 Cb -0.07 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1s80 h GLU 15 CO -0.04 1.34 0.44 -0.07 -1.00 0.00 0.00 179.01 179.69 1s80 h LEU 16 N 0.10 0.73 -1.08 1.33 3.38 -0.80 -2.11 115.31 116.85 1s80 h LEU 16 Ca -0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1s80 h LEU 16 Cb 1.86 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 1s80 h LEU 16 CO 0.22 0.50 0.05 0.00 0.09 0.00 0.00 178.44 179.30 1s80 h ALA 17 N 1.31 1.25 -0.09 1.53 0.00 -1.29 -1.73 119.26 120.25 1s80 h ALA 17 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1s80 h ALA 17 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s80 h ALA 17 CO -0.12 0.51 -0.28 1.49 0.00 0.00 0.00 179.25 180.85 1s80 h GLU 18 N 0.67 0.16 0.00 0.00 4.57 -1.29 -3.19 114.58 115.50 1s80 h GLU 18 Ca 0.14 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.10 1s80 h GLU 18 Cb 0.34 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1s80 h GLU 18 CO 0.01 0.43 -1.02 -0.91 -1.18 0.00 0.00 179.01 176.34 1s80 h ASN 19 N 0.14 0.00 -3.44 1.04 2.35 -0.75 -3.43 115.58 111.49 1s80 h ASN 19 Ca 0.02 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.16 1s80 h ASN 19 Cb 0.58 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.55 1s80 h ASN 19 CO 0.04 0.70 -0.74 -0.70 -1.65 0.00 0.00 177.43 175.07 1s80 s GLU 20 N -2.85 1.21 0.00 0.81 2.56 -0.71 -5.10 118.70 114.62 1s80 s GLU 20 Ca 0.00 -1.91 -0.00 0.00 0.00 0.00 0.00 54.97 53.06 1s80 s GLU 20 Cb 0.08 -2.27 -0.00 0.00 2.00 0.00 0.00 34.13 33.95 1s80 s GLU 20 CO 0.79 -1.15 0.09 -0.35 -0.56 0.00 0.00 175.26 174.08 1s80 n PRO 21 N 3.66 0.03 0.00 4.30 -0.04 -1.26 -2.08 135.00 139.61 1s80 n PRO 21 Ca 0.08 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1s80 n PRO 21 Cb 0.35 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1s80 n PRO 21 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1s80 n LEU 23 N 2.06 0.00 -0.06 1.53 4.32 -1.26 -4.47 117.00 119.12 1s80 n LEU 23 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1s80 n LEU 23 Cb 0.01 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 1s80 n LEU 23 CO 0.02 0.00 0.96 0.00 -1.22 0.00 0.00 177.39 177.15 1s80 h ALA 24 N 0.00 0.29 -0.46 -1.18 0.00 -1.68 -0.82 119.26 115.41 1s80 h ALA 24 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s80 h ALA 24 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1s80 h ALA 24 CO 0.00 -0.24 0.20 0.77 0.00 0.00 0.00 179.25 179.98 1s80 h SER 25 N 0.30 0.62 -0.45 0.00 0.02 -1.90 -1.18 113.55 110.96 1s80 h SER 25 Ca 0.09 -0.15 0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1s80 h SER 25 Cb -0.02 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.27 1s80 h SER 25 CO -0.03 0.59 -0.21 0.15 -1.14 0.00 0.00 176.83 176.19 1s80 h PHE 26 N 0.60 -0.53 -0.24 3.45 3.57 -1.83 0.13 116.94 122.09 1s80 h PHE 26 Ca 0.16 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1s80 h PHE 26 Cb 0.15 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1s80 h PHE 26 CO -0.00 -0.29 0.13 0.74 -2.23 0.00 0.00 178.31 176.66 1s80 h PHE 27 N -0.12 0.25 -0.62 0.41 0.05 -0.84 -0.10 116.94 115.96 1s80 h PHE 27 Ca 0.21 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.99 1s80 h PHE 27 Cb 0.45 -0.08 -0.03 0.00 2.00 0.00 0.00 35.95 38.29 1s80 h PHE 27 CO -0.47 0.15 0.32 0.45 -0.18 0.00 0.00 178.31 178.57 1s80 h HIS 28 N 0.27 0.88 0.00 -0.55 3.86 -0.80 -0.24 115.15 118.57 1s80 h HIS 28 Ca 0.09 -0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.06 1s80 h HIS 28 Cb 0.00 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1s80 h HIS 28 CO -0.08 0.65 -1.03 0.66 0.86 0.00 0.00 177.93 178.99 1s80 h SER 29 N 0.85 0.00 0.02 2.45 4.64 -0.60 0.27 113.55 121.19 1s80 h SER 29 Ca 0.22 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 1s80 h SER 29 Cb 0.09 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1s80 h SER 29 CO -0.03 1.00 -0.31 0.74 -0.87 0.00 0.00 176.83 177.37 1s80 h THR 30 N 0.00 1.57 0.00 2.95 2.02 -1.04 -3.44 112.91 114.96 1s80 h THR 30 Ca -0.02 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1s80 h THR 30 Cb 1.78 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 71.09 1s80 h THR 30 CO 0.13 0.57 -0.07 -0.38 0.37 0.00 0.00 175.52 176.14 1s80 n ILE 31 N -4.46 0.41 -0.18 3.11 5.41 -0.17 -4.47 119.36 119.02 1s80 n ILE 31 Ca -0.10 0.19 0.06 0.00 1.00 0.00 0.00 62.75 63.90 1s80 n ILE 31 Cb 0.55 -1.32 0.35 0.00 -0.71 0.00 0.00 39.64 38.51 1s80 n ILE 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1s80 h LEU 32 N -0.07 0.67 -1.90 1.39 3.38 -1.04 0.86 115.31 118.59 1s80 h LEU 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s80 h LEU 32 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1s80 h LEU 32 CO 0.00 0.43 0.00 2.29 0.09 0.00 0.00 178.44 181.25 1s80 n LYS 33 N -4.48 2.46 -4.19 1.13 -0.00 0.94 -4.85 118.16 109.16 1s80 n LYS 33 Ca 0.11 -1.26 -0.29 0.00 -0.00 0.00 0.00 58.31 56.87 1s80 n LYS 33 Cb 0.22 -1.73 -0.09 0.00 -0.00 0.00 0.00 35.03 33.44 1s80 n LYS 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1s80 s HIS 34 N -1.70 2.83 0.01 5.58 3.76 0.29 -5.04 115.29 121.02 1s80 s HIS 34 Ca 0.22 -0.12 -0.13 0.00 -0.15 0.00 0.00 55.06 54.89 1s80 s HIS 34 Cb 0.16 -1.45 -0.33 0.00 1.11 0.00 0.00 32.58 32.07 1s80 s HIS 34 CO 0.08 0.47 0.91 1.96 -0.85 0.00 0.00 174.74 177.31 1s80 h GLN 35 N 3.33 0.46 -3.89 1.40 1.08 -1.89 -3.49 115.11 112.12 1s80 h GLN 35 Ca -0.48 -0.78 -0.11 0.00 -1.45 0.00 0.00 58.65 55.83 1s80 h GLN 35 Cb 1.17 0.29 -0.12 0.00 -0.05 0.00 0.00 27.48 28.77 1s80 h GLN 35 CO 0.56 1.37 -0.32 0.54 -0.95 0.00 0.00 178.83 180.03 1s80 s ASN 36 N -7.43 0.04 0.26 1.46 2.20 -1.26 -5.05 114.94 105.17 1s80 s ASN 36 Ca -0.10 -0.89 -0.02 0.00 -0.94 0.00 0.00 52.86 50.91 1s80 s ASN 36 Cb 0.05 0.44 0.57 0.00 -2.00 0.00 0.00 41.25 40.31 1s80 s ASN 36 CO 0.91 -0.90 1.68 0.25 -2.94 0.00 0.00 177.10 176.09 1s80 h LEU 37 N 2.53 0.06 -1.28 3.54 5.85 -1.94 -0.58 115.31 123.50 1s80 h LEU 37 Ca -0.32 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1s80 h LEU 37 Cb 1.23 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 1s80 h LEU 37 CO 0.48 -0.06 0.54 1.23 -0.34 0.00 0.00 178.44 180.29 1s80 h GLY 38 N 0.28 1.15 1.08 3.75 0.00 -1.96 0.62 103.07 107.99 1s80 h GLY 38 Ca 0.48 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.31 1s80 h GLY 38 CO -0.55 0.19 -0.48 -1.33 0.00 0.00 0.00 176.54 174.37 1s80 h GLY 39 N 0.80 0.88 0.89 4.60 0.00 -1.52 -2.15 103.07 106.56 1s80 h GLY 39 Ca 0.39 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1s80 h GLY 39 CO -0.16 0.91 0.04 0.00 0.00 0.00 0.00 176.54 177.34 1s80 h ALA 40 N 0.67 0.42 -0.64 3.60 0.00 -1.04 -2.82 119.26 119.45 1s80 h ALA 40 Ca 0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1s80 h ALA 40 Cb 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1s80 h ALA 40 CO 0.11 0.12 0.13 -0.07 0.00 0.00 0.00 179.25 179.54 1s80 h LEU 41 N 0.35 0.99 -1.06 0.00 3.38 -0.91 -2.60 115.31 115.47 1s80 h LEU 41 Ca 0.10 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1s80 h LEU 41 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1s80 h LEU 41 CO 0.01 0.98 -0.16 0.77 0.09 0.00 0.00 178.44 180.13 1s80 h SER 42 N 0.96 0.47 0.17 -0.43 4.64 -1.41 -2.06 113.55 115.90 1s80 h SER 42 Ca 0.20 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1s80 h SER 42 Cb 0.39 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1s80 h SER 42 CO 0.01 0.65 -0.08 0.22 -0.87 0.00 0.00 176.83 176.76 1s80 h TYR 43 N 0.44 -0.22 0.01 4.77 3.20 -1.22 -2.01 116.97 121.94 1s80 h TYR 43 Ca 0.08 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1s80 h TYR 43 Cb 0.54 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1s80 h TYR 43 CO 0.02 -0.13 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.33 1s80 h LEU 44 N -0.24 -0.02 -0.42 2.82 3.38 -1.36 -2.18 115.31 117.30 1s80 h LEU 44 Ca -0.02 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1s80 h LEU 44 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1s80 h LEU 44 CO 0.04 0.43 0.20 -0.07 0.09 0.00 0.00 178.44 179.13 1s80 h LEU 45 N -0.47 0.55 -0.23 1.67 3.38 -1.46 0.14 115.31 118.89 1s80 h LEU 45 Ca -0.00 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1s80 h LEU 45 Cb 0.45 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1s80 h LEU 45 CO 0.00 0.52 -0.19 0.00 0.09 0.00 0.00 178.44 178.87 1s80 h ALA 46 N 1.05 -0.04 -0.31 1.53 0.00 -1.37 -0.30 119.26 119.82 1s80 h ALA 46 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1s80 h ALA 46 Cb 0.12 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1s80 h ALA 46 CO -0.02 -0.61 0.07 -0.91 0.00 0.00 0.00 179.25 177.78 1s80 h ASN 47 N -0.19 0.02 0.61 0.00 2.35 -0.88 -0.50 115.58 117.00 1s80 h ASN 47 Ca 0.13 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1s80 h ASN 47 Cb 0.39 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1s80 h ASN 47 CO -0.35 0.05 -0.20 0.11 -1.65 0.00 0.00 177.43 175.39 1s80 h LYS 48 N 0.18 0.00 -0.29 0.81 1.57 -0.17 -3.06 116.57 115.62 1s80 h LYS 48 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1s80 h LYS 48 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1s80 h LYS 48 CO -0.18 0.20 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 1s80 n LEU 49 N -3.56 2.82 -4.70 2.94 4.77 -0.18 -4.87 117.00 114.23 1s80 n LEU 49 Ca -0.01 -1.62 -0.41 0.00 -0.03 0.00 0.00 56.01 53.94 1s80 n LEU 49 Cb 0.34 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1s80 n LEU 49 CO 0.32 0.65 0.88 0.00 -1.33 0.00 0.00 177.39 177.91 1s80 n ALA 50 N 0.82 1.25 -3.30 -1.18 0.00 -0.22 -4.95 120.51 112.94 1s80 n ALA 50 Ca 0.13 0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.70 1s80 n ALA 50 Cb 0.43 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 1s80 n ALA 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1s80 s ASN 51 N -0.50 -0.38 0.65 0.00 3.84 -1.26 -4.94 114.94 112.36 1s80 s ASN 51 Ca 0.60 0.23 0.35 0.00 0.21 0.00 0.00 52.86 54.25 1s80 s ASN 51 Cb -0.52 0.43 1.91 0.00 -0.55 0.00 0.00 41.25 42.52 1s80 s ASN 51 CO 0.59 -0.60 2.11 -0.65 -2.79 0.00 0.00 177.10 175.77 1s80 h PRO 52 N 3.22 0.00 0.00 0.43 0.11 -2.04 -1.70 132.00 132.02 1s80 h PRO 52 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1s80 h PRO 52 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s80 h PRO 52 CO 0.41 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.31 1s80 n ILE 53 N -3.17 0.00 -4.02 4.15 5.41 -1.26 -5.11 119.36 115.36 1s80 n ILE 53 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.66 1s80 n ILE 53 Cb 0.27 -0.61 -0.10 0.00 -0.71 0.00 0.00 39.64 38.50 1s80 n ILE 53 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1s80 s PRO 55 N -2.00 0.60 0.23 0.38 0.02 -0.64 -5.14 135.00 128.45 1s80 s PRO 55 Ca 0.10 -1.03 -0.14 0.00 0.02 0.00 0.00 61.00 59.95 1s80 s PRO 55 Cb 0.05 0.22 0.28 0.00 0.02 0.00 0.00 34.50 35.07 1s80 s PRO 55 CO 0.08 -0.13 1.58 0.00 -0.33 0.00 0.00 177.00 178.20 1s80 h ALA 56 N 3.37 0.32 -0.97 -1.55 0.00 -1.83 -1.21 119.26 117.40 1s80 h ALA 56 Ca -0.33 0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1s80 h ALA 56 Cb 1.16 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 1s80 h ALA 56 CO 0.59 -0.52 0.63 0.97 0.00 0.00 0.00 179.25 180.92 1s80 h ILE 57 N -0.04 1.11 -0.21 0.00 2.10 -1.99 -0.62 117.51 117.88 1s80 h ILE 57 Ca 0.35 -0.40 -0.19 0.00 1.08 0.00 0.00 64.86 65.70 1s80 h ILE 57 Cb 0.60 -0.16 0.01 0.00 -1.09 0.00 0.00 36.82 36.18 1s80 h ILE 57 CO -0.87 0.21 -0.61 -1.28 -1.08 0.00 0.00 178.15 174.53 1s80 h SER 58 N 1.17 0.89 0.48 2.19 0.87 -1.74 -3.27 113.55 114.15 1s80 h SER 58 Ca 0.41 -0.58 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 1s80 h SER 58 Cb 0.10 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1s80 h SER 58 CO -0.15 1.32 -0.41 0.25 -0.53 0.00 0.00 176.83 177.31 1s80 h LEU 59 N 0.51 0.00 -0.57 2.23 6.46 -0.72 -2.77 115.31 120.46 1s80 h LEU 59 Ca -0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1s80 h LEU 59 Cb 1.23 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.14 1s80 h LEU 59 CO 0.13 0.41 0.24 -0.09 -0.62 0.00 0.00 178.44 178.51 1s80 h ARG 60 N 0.00 0.84 -0.89 1.25 1.12 -1.17 -0.51 114.38 115.02 1s80 h ARG 60 Ca -0.00 -0.14 0.04 0.00 -1.11 0.00 0.00 59.98 58.76 1s80 h ARG 60 Cb 0.76 -0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 30.53 1s80 h ARG 60 CO 0.05 0.71 0.58 0.93 -3.11 0.00 0.00 179.97 179.14 1s80 h GLU 61 N 0.77 1.06 -0.17 0.20 5.08 -1.59 0.26 114.58 120.19 1s80 h GLU 61 Ca 0.19 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1s80 h GLU 61 Cb 0.18 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1s80 h GLU 61 CO -0.02 0.70 -0.15 0.82 -1.00 0.00 0.00 179.01 179.37 1s80 h ILE 62 N 1.09 1.34 -0.79 3.13 2.04 -1.41 0.22 117.51 123.13 1s80 h ILE 62 Ca 0.36 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1s80 h ILE 62 Cb 0.04 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1s80 h ILE 62 CO -0.11 0.38 0.51 0.40 0.00 0.00 0.00 178.15 179.34 1s80 h ILE 63 N 0.05 1.14 -0.01 -0.67 2.04 -0.65 -2.06 117.51 117.35 1s80 h ILE 63 Ca 0.03 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 1s80 h ILE 63 Cb 0.68 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1s80 h ILE 63 CO 0.04 0.18 -0.66 -0.33 0.00 0.00 0.00 178.15 177.39 1s80 h GLU 64 N 1.01 0.04 -0.07 2.37 5.08 -0.37 -1.73 114.58 120.92 1s80 h GLU 64 Ca 0.31 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1s80 h GLU 64 Cb -0.02 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1s80 h GLU 64 CO -0.10 0.68 0.03 1.49 -1.00 0.00 0.00 179.01 180.11 1s80 h GLU 65 N 0.03 0.10 -0.71 2.33 4.22 -0.62 -1.48 114.58 118.44 1s80 h GLU 65 Ca -0.01 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.52 1s80 h GLU 65 Cb 1.16 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 1s80 h GLU 65 CO 0.09 0.20 0.34 0.00 -2.18 0.00 0.00 179.01 177.46 1s80 h ALA 66 N 0.89 0.99 0.00 2.92 0.00 -1.16 -0.35 119.26 122.55 1s80 h ALA 66 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1s80 h ALA 66 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1s80 h ALA 66 CO -0.00 -0.08 -0.16 1.88 0.00 0.00 0.00 179.25 180.88 1s80 h TYR 67 N 0.57 0.00 0.03 0.00 0.99 -1.17 -2.36 116.97 115.02 1s80 h TYR 67 Ca 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.09 1s80 h TYR 67 Cb 0.41 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.14 1s80 h TYR 67 CO -0.12 0.16 -0.01 0.37 -0.00 0.00 0.00 178.16 178.56 1s80 h GLN 68 N 0.00 -0.04 -0.44 4.88 4.15 -0.00 -3.16 115.11 120.50 1s80 h GLN 68 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1s80 h GLN 68 Cb 0.37 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1s80 h GLN 68 CO 0.02 0.60 0.00 -1.13 -1.93 0.00 0.00 178.83 176.39 1s80 n SER 69 N -4.79 2.31 -2.70 -0.69 3.41 -0.65 -4.40 113.62 106.11 1s80 n SER 69 Ca -0.09 -2.04 -0.05 0.00 -0.26 0.00 0.00 58.87 56.43 1s80 n SER 69 Cb 0.32 -0.30 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1s80 n SER 69 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1s80 n ASN 70 N 0.67 -2.11 0.00 4.04 2.85 -0.90 -5.03 115.26 114.78 1s80 n ASN 70 Ca 0.14 -2.03 0.07 0.00 -0.11 0.00 0.00 54.58 52.64 1s80 n ASN 70 Cb 0.38 1.15 0.33 0.00 1.24 0.00 0.00 39.78 42.88 1s80 n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1s80 n PRO 71 N 2.20 0.10 0.22 1.20 -0.04 -1.19 -2.50 135.00 134.98 1s80 n PRO 71 Ca 0.10 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 1s80 n PRO 71 Cb 0.64 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.08 1s80 n PRO 71 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s80 h SER 72 N 0.00 0.00 -0.84 3.54 4.64 -1.94 -2.44 113.55 116.51 1s80 h SER 72 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1s80 h SER 72 Cb 0.19 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.18 1s80 h SER 72 CO 0.00 0.25 0.41 0.40 -0.87 0.00 0.00 176.83 177.02 1s80 h ILE 73 N 0.00 0.67 -0.03 0.95 2.04 -1.87 -0.88 117.51 118.40 1s80 h ILE 73 Ca -0.00 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 1s80 h ILE 73 Cb 0.69 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1s80 h ILE 73 CO 0.03 0.10 -0.63 0.40 0.00 0.00 0.00 178.15 178.05 1s80 h ILE 74 N 0.56 1.42 -0.45 -0.67 2.04 -1.66 -2.87 117.51 115.88 1s80 h ILE 74 Ca 0.47 -2.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 1s80 h ILE 74 Cb 0.72 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1s80 h ILE 74 CO -0.40 0.61 0.03 0.44 0.00 0.00 0.00 178.15 178.83 1s80 h ASP 75 N 0.09 0.75 -0.58 1.72 3.32 -1.30 -2.41 116.42 118.01 1s80 h ASP 75 Ca -0.01 -0.29 0.10 0.00 0.02 0.00 0.00 57.03 56.86 1s80 h ASP 75 Cb 1.13 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.40 1s80 h ASP 75 CO 0.09 0.85 0.15 0.00 -1.72 0.00 0.00 179.24 178.61 1s80 h ALA 77 N 1.45 1.28 -0.42 0.00 0.00 -1.28 0.40 119.26 120.69 1s80 h ALA 77 Ca 0.30 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1s80 h ALA 77 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1s80 h ALA 77 CO -0.37 0.02 -0.24 0.00 0.00 0.00 0.00 179.25 178.67 1s80 h ALA 78 N 1.52 0.79 -0.24 0.00 0.00 -0.74 -0.56 119.26 120.03 1s80 h ALA 78 Ca 0.44 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1s80 h ALA 78 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s80 h ALA 78 CO -0.31 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.48 1s80 h ASP 80 N 0.23 0.65 -0.29 0.00 3.32 -0.04 0.18 116.42 120.47 1s80 h ASP 80 Ca 0.05 0.10 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 1s80 h ASP 80 Cb 0.62 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1s80 h ASP 80 CO 0.04 0.17 -0.47 0.40 -1.72 0.00 0.00 179.24 177.66 1s80 h ILE 81 N 0.60 1.28 -0.35 0.35 2.04 -0.93 -2.60 117.51 117.90 1s80 h ILE 81 Ca 0.60 -1.66 -0.15 0.00 1.00 0.00 0.00 64.86 64.65 1s80 h ILE 81 Cb 1.16 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1s80 h ILE 81 CO -0.38 0.54 -0.37 -0.61 0.00 0.00 0.00 178.15 177.33 1s80 h GLN 82 N 0.60 0.83 0.09 2.37 4.15 -0.81 -2.26 115.11 120.08 1s80 h GLN 82 Ca 0.02 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1s80 h GLN 82 Cb 1.08 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1s80 h GLN 82 CO 0.11 1.06 -0.07 0.00 -1.93 0.00 0.00 178.83 178.00 1s80 h ALA 83 N 0.89 -0.15 -0.55 3.38 0.00 -0.68 0.11 119.26 122.25 1s80 h ALA 83 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1s80 h ALA 83 Cb 0.94 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1s80 h ALA 83 CO 0.09 -0.59 0.23 0.28 0.00 0.00 0.00 179.25 179.26 1s80 h VAL 84 N -0.16 1.21 -0.35 0.00 2.07 -1.43 0.17 116.25 117.77 1s80 h VAL 84 Ca -0.00 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1s80 h VAL 84 Cb 0.15 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1s80 h VAL 84 CO -0.01 0.25 0.13 -0.09 0.02 0.00 0.00 177.57 177.87 1s80 h ARG 85 N 0.74 0.52 -0.48 1.57 2.43 -1.27 -1.19 114.38 116.71 1s80 h ARG 85 Ca 0.18 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 1s80 h ARG 85 Cb 0.17 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1s80 h ARG 85 CO -0.02 0.53 -0.22 1.25 -1.51 0.00 0.00 179.97 180.00 1s80 h HIS 86 N 0.41 1.15 0.00 2.20 2.76 -0.40 -3.31 115.15 117.95 1s80 h HIS 86 Ca 0.11 -0.28 -0.19 0.00 -2.20 0.00 0.00 60.37 57.81 1s80 h HIS 86 Cb 0.21 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 1s80 h HIS 86 CO 0.00 1.11 -1.28 0.00 -1.30 0.00 0.00 177.93 176.46 1s80 h ARG 87 N 0.86 0.00 -5.14 5.26 3.08 -0.64 -3.44 114.38 114.35 1s80 h ARG 87 Ca 0.11 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.49 1s80 h ARG 87 Cb 0.81 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.69 1s80 h ARG 87 CO 0.07 0.45 -0.02 0.34 -1.07 0.00 0.00 179.97 179.73 1s80 s ASP 88 N -6.07 6.26 0.50 7.04 -1.08 -0.45 -4.94 116.67 117.93 1s80 s ASP 88 Ca -0.02 -0.52 0.20 0.00 -0.52 0.00 0.00 52.55 51.69 1s80 s ASP 88 Cb 0.08 -2.28 1.26 0.00 -1.46 0.00 0.00 42.92 40.53 1s80 s ASP 88 CO 0.80 -0.70 2.03 -0.65 0.52 0.00 0.00 175.17 177.17 1s80 h PRO 89 N 8.82 0.11 0.00 4.34 0.11 -1.86 -1.76 132.00 141.76 1s80 h PRO 89 Ca -0.26 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1s80 h PRO 89 Cb 1.10 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1s80 h PRO 89 CO 0.86 0.07 -0.24 0.00 -0.21 0.00 0.00 178.00 178.48 1s80 h ALA 90 N 1.79 1.08 -2.52 -0.75 0.00 -1.93 -3.42 119.26 113.52 1s80 h ALA 90 Ca 0.19 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 1s80 h ALA 90 Cb 0.61 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.20 1s80 h ALA 90 CO -0.02 0.30 -0.19 0.08 0.00 0.00 0.00 179.25 179.43 1s80 s VAL 91 N -3.77 5.10 -0.21 0.00 1.01 -0.66 -4.93 120.40 116.93 1s80 s VAL 91 Ca -0.00 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1s80 s VAL 91 Cb 0.11 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 1s80 s VAL 91 CO 0.64 -0.17 -0.23 1.21 0.00 0.00 0.00 175.10 176.55 1s80 n GLU 92 N 5.54 0.48 -3.28 2.72 4.07 -1.26 -4.75 120.64 124.16 1s80 n GLU 92 Ca -0.07 0.16 -0.35 0.00 -0.06 0.00 0.00 57.16 56.85 1s80 n GLU 92 Cb 0.49 -1.33 -0.06 0.00 -0.06 0.00 0.00 31.44 30.49 1s80 n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1s80 s LEU 93 N -6.73 4.28 0.41 4.31 1.43 -1.26 -4.97 118.68 116.14 1s80 s LEU 93 Ca -0.29 1.16 0.13 0.00 -1.03 0.00 0.00 54.13 54.10 1s80 s LEU 93 Cb 0.10 -3.51 0.85 0.00 0.03 0.00 0.00 46.19 43.66 1s80 s LEU 93 CO 0.42 0.02 1.91 -0.50 0.23 0.00 0.00 176.35 178.43 1s80 h TRP 94 N 3.21 0.02 0.00 0.29 4.06 -1.95 -2.97 115.95 118.61 1s80 h TRP 94 Ca -0.48 -0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.35 1s80 h TRP 94 Cb 1.19 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.33 1s80 h TRP 94 CO 0.64 0.28 -0.55 0.66 -3.56 0.00 0.00 178.44 175.91 1s80 h SER 95 N 0.01 0.00 0.20 -3.49 4.64 -1.90 -3.37 113.55 109.65 1s80 h SER 95 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1s80 h SER 95 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1s80 h SER 95 CO 0.04 0.55 -0.32 0.74 -0.87 0.00 0.00 176.83 176.97 1s80 h THR 96 N 0.00 0.33 -0.96 2.95 2.02 -1.93 -0.86 112.91 114.46 1s80 h THR 96 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.33 1s80 h THR 96 Cb 1.08 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 67.73 1s80 h THR 96 CO 0.07 0.00 0.61 -0.65 0.37 0.00 0.00 175.52 175.92 1s80 h PRO 97 N -0.59 0.74 -0.21 6.66 0.11 -1.76 0.16 132.00 137.11 1s80 h PRO 97 Ca 0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1s80 h PRO 97 Cb 0.59 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1s80 h PRO 97 CO -0.13 0.49 0.04 1.25 -0.21 0.00 0.00 178.00 179.44 1s80 h LEU 98 N 0.77 0.33 0.19 2.35 6.46 -1.41 -3.26 115.31 120.74 1s80 h LEU 98 Ca 0.51 -0.25 -0.33 0.00 -0.12 0.00 0.00 57.88 57.68 1s80 h LEU 98 Cb 0.77 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1s80 h LEU 98 CO -0.27 0.49 -1.59 -0.07 -0.62 0.00 0.00 178.44 176.38 1s80 h LEU 99 N 0.15 0.63 -0.04 2.25 4.07 -0.66 -3.44 115.31 118.27 1s80 h LEU 99 Ca 0.06 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 57.21 1s80 h LEU 99 Cb 0.30 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1s80 h LEU 99 CO 0.00 1.67 0.00 -1.22 -1.08 0.00 0.00 178.44 177.81 1s80 n TYR 100 N -3.60 0.00 -3.56 1.13 0.53 0.51 -5.01 117.16 107.15 1s80 n TYR 100 Ca -0.20 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.28 1s80 n TYR 100 Cb 1.08 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 39.28 1s80 n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1s80 s LEU 101 N -0.97 4.70 0.46 7.72 1.43 -1.23 -4.95 118.68 125.85 1s80 s LEU 101 Ca 0.00 -0.84 0.25 0.00 -1.03 0.00 0.00 54.13 52.52 1s80 s LEU 101 Cb 0.00 -2.07 1.01 0.00 0.03 0.00 0.00 46.19 45.16 1s80 s LEU 101 CO 0.00 -0.36 1.86 0.07 0.23 0.00 0.00 176.35 178.16 1s80 h LYS 102 N 8.48 0.00 0.16 1.70 2.10 -1.93 -1.93 116.57 125.15 1s80 h LYS 102 Ca -0.28 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 1s80 h LYS 102 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1s80 h LYS 102 CO 0.67 0.19 -0.08 0.78 -2.00 0.00 0.00 179.45 179.01 1s80 h GLY 103 N 2.00 -0.22 0.44 0.07 0.00 -1.91 -0.24 103.07 103.20 1s80 h GLY 103 Ca -0.00 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1s80 h GLY 103 CO 0.02 -0.08 -0.04 -2.75 0.00 0.00 0.00 176.54 173.69 1s80 h PHE 104 N -0.22 -0.10 -0.94 5.60 3.57 -1.64 -2.00 116.94 121.21 1s80 h PHE 104 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s80 h PHE 104 Cb 0.17 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1s80 h PHE 104 CO -0.07 -0.10 0.58 0.45 -2.23 0.00 0.00 178.31 176.95 1s80 h HIS 105 N 0.04 1.22 0.02 0.41 3.86 -1.18 -2.24 115.15 117.28 1s80 h HIS 105 Ca 0.15 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1s80 h HIS 105 Cb 0.22 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1s80 h HIS 105 CO -0.26 0.79 -0.01 0.00 0.86 0.00 0.00 177.93 179.31 1s80 h ALA 106 N 1.32 -0.03 0.37 2.45 0.00 -0.81 -0.36 119.26 122.20 1s80 h ALA 106 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1s80 h ALA 106 Cb -0.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1s80 h ALA 106 CO -0.07 -0.50 -0.52 0.82 0.00 0.00 0.00 179.25 178.99 1s80 h ILE 107 N -0.06 0.01 -0.75 0.00 2.04 -1.00 -0.20 117.51 117.54 1s80 h ILE 107 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1s80 h ILE 107 Cb 0.06 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.09 1s80 h ILE 107 CO 0.00 0.00 0.50 1.56 0.00 0.00 0.00 178.15 180.21 1s80 h GLN 108 N -0.92 0.56 -0.48 2.37 1.08 -1.41 -0.95 115.11 115.36 1s80 h GLN 108 Ca -0.04 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 1s80 h GLN 108 Cb 0.84 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 1s80 h GLN 108 CO -0.15 0.37 -0.06 0.77 -0.95 0.00 0.00 178.83 178.81 1s80 h SER 109 N 0.58 0.88 -0.37 1.46 0.02 -0.28 -2.80 113.55 113.03 1s80 h SER 109 Ca 0.36 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1s80 h SER 109 Cb 0.60 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1s80 h SER 109 CO -0.13 1.01 0.25 0.22 -1.14 0.00 0.00 176.83 177.04 1s80 h TYR 110 N 0.73 0.45 -0.54 3.45 3.20 0.31 -2.47 116.97 122.11 1s80 h TYR 110 Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1s80 h TYR 110 Cb 0.60 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1s80 h TYR 110 CO 0.04 0.28 0.29 0.00 -1.64 0.00 0.00 178.16 177.13 1s80 h ARG 111 N 0.48 0.73 -0.51 1.82 3.08 -1.15 0.22 114.38 119.05 1s80 h ARG 111 Ca 0.14 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1s80 h ARG 111 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1s80 h ARG 111 CO -0.03 0.55 0.03 0.82 -1.07 0.00 0.00 179.97 180.26 1s80 h ILE 112 N 0.74 1.26 -0.14 2.04 1.08 -1.43 -1.73 117.51 119.33 1s80 h ILE 112 Ca 0.19 -1.03 -0.10 0.00 -0.39 0.00 0.00 64.86 63.52 1s80 h ILE 112 Cb 0.03 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1s80 h ILE 112 CO -0.03 0.37 -0.37 0.71 -0.69 0.00 0.00 178.15 178.14 1s80 h THR 113 N 0.74 1.29 -0.02 -0.27 1.35 -1.09 -1.55 112.91 113.36 1s80 h THR 113 Ca 0.15 -1.44 -0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1s80 h THR 113 Cb 0.48 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1s80 h THR 113 CO 0.02 0.44 0.00 -0.74 -0.25 0.00 0.00 175.52 174.99 1s80 h HIS 114 N 0.26 0.04 -0.45 4.73 -0.00 -0.44 0.95 115.15 120.24 1s80 h HIS 114 Ca 0.03 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.48 1s80 h HIS 114 Cb 0.77 -0.01 -0.09 0.00 -0.00 0.00 0.00 27.41 28.08 1s80 h HIS 114 CO 0.02 0.32 -0.21 -0.92 -0.00 0.00 0.00 177.93 177.13 1s80 h TYR 115 N -0.24 -0.53 -0.40 5.26 3.20 -1.21 -1.81 116.97 121.23 1s80 h TYR 115 Ca 0.01 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1s80 h TYR 115 Cb 0.30 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1s80 h TYR 115 CO 0.02 -0.29 0.03 -0.07 -1.64 0.00 0.00 178.16 176.21 1s80 h LEU 116 N -0.12 0.58 0.13 2.82 3.38 -0.84 -1.67 115.31 119.60 1s80 h LEU 116 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1s80 h LEU 116 Cb 0.45 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1s80 h LEU 116 CO -0.52 0.63 -0.06 -0.25 0.09 0.00 0.00 178.44 178.33 1s80 h TRP 117 N 0.60 -0.16 0.00 1.13 2.91 -0.36 0.11 115.95 120.18 1s80 h TRP 117 Ca 0.13 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.14 1s80 h TRP 117 Cb 0.33 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.03 1s80 h TRP 117 CO 0.01 0.02 -0.02 -0.91 -1.03 0.00 0.00 178.44 176.52 1s80 h ASN 118 N -0.32 0.00 -0.33 2.65 2.35 -1.01 -1.25 115.58 117.68 1s80 h ASN 118 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1s80 h ASN 118 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1s80 h ASN 118 CO 0.03 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 1s80 n GLN 119 N -3.19 2.33 -1.91 0.81 1.13 -0.66 -4.92 117.38 110.97 1s80 n GLN 119 Ca -0.02 -1.42 -0.18 0.00 -1.94 0.00 0.00 57.00 53.44 1s80 n GLN 119 Cb 0.17 -1.55 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 1s80 n GLN 119 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1s80 n ASN 120 N 0.45 -4.99 -3.86 1.08 3.02 -0.47 -4.90 115.26 105.59 1s80 n ASN 120 Ca 0.13 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.53 1s80 n ASN 120 Cb 0.49 -4.33 0.01 0.00 -0.61 0.00 0.00 39.78 35.34 1s80 n ASN 120 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s80 n ARG 121 N -2.53 4.39 0.08 3.52 1.74 0.36 -4.80 116.66 119.43 1s80 n ARG 121 Ca -0.20 -4.18 -0.10 0.00 -0.77 0.00 0.00 57.85 52.60 1s80 n ARG 121 Cb 0.62 -2.63 -0.03 0.00 -1.02 0.00 0.00 32.46 29.41 1s80 n ARG 121 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1s80 h LYS 122 N 5.27 0.26 -0.33 5.56 1.57 -1.84 -2.16 116.57 124.89 1s80 h LYS 122 Ca 0.35 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1s80 h LYS 122 Cb 0.55 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1s80 h LYS 122 CO 1.41 1.01 -0.05 1.03 -0.57 0.00 0.00 179.45 182.28 1s80 h SER 123 N 0.14 0.51 0.52 0.86 0.87 -1.95 -1.00 113.55 113.50 1s80 h SER 123 Ca -0.06 -0.11 -0.29 0.00 -1.23 0.00 0.00 61.79 60.09 1s80 h SER 123 Cb 1.55 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1s80 h SER 123 CO 0.15 0.62 -1.43 0.25 -0.53 0.00 0.00 176.83 175.88 1s80 h LEU 124 N 0.51 0.39 -0.69 2.23 7.12 -1.95 -1.59 115.31 121.33 1s80 h LEU 124 Ca 0.10 -0.50 -0.06 0.00 0.13 0.00 0.00 57.88 57.56 1s80 h LEU 124 Cb 0.41 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.38 1s80 h LEU 124 CO 0.02 1.41 0.20 0.00 -0.13 0.00 0.00 178.44 179.93 1s80 h ALA 125 N 0.54 0.90 -0.23 1.25 0.00 -1.33 -1.36 119.26 119.03 1s80 h ALA 125 Ca -0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1s80 h ALA 125 Cb 2.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1s80 h ALA 125 CO 0.17 0.60 -0.00 -0.07 0.00 0.00 0.00 179.25 179.95 1s80 h LEU 126 N 1.02 0.40 -0.46 0.00 3.38 -1.18 -0.85 115.31 117.62 1s80 h LEU 126 Ca 0.22 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1s80 h LEU 126 Cb 0.33 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1s80 h LEU 126 CO -0.00 0.61 0.02 0.22 0.09 0.00 0.00 178.44 179.38 1s80 h TYR 127 N 0.18 0.02 -0.14 1.13 3.20 -1.16 -2.20 116.97 117.99 1s80 h TYR 127 Ca 0.07 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 1s80 h TYR 127 Cb 0.41 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1s80 h TYR 127 CO 0.04 -0.08 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.06 1s80 h LEU 128 N 0.14 0.29 -0.90 2.82 3.38 -1.13 -2.19 115.31 117.72 1s80 h LEU 128 Ca 0.23 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1s80 h LEU 128 Cb 0.33 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1s80 h LEU 128 CO -0.36 0.62 0.58 -0.61 0.09 0.00 0.00 178.44 178.77 1s80 h GLN 129 N 0.24 1.12 -0.16 1.13 4.15 -0.56 0.18 115.11 121.21 1s80 h GLN 129 Ca 0.03 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1s80 h GLN 129 Cb 0.74 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1s80 h GLN 129 CO 0.06 0.74 -0.01 -0.97 -1.93 0.00 0.00 178.83 176.72 1s80 h ASN 130 N 1.15 0.29 -0.75 -0.69 -0.73 -1.17 -1.87 115.58 111.81 1s80 h ASN 130 Ca 0.35 -0.33 0.08 0.00 1.87 0.00 0.00 56.30 58.28 1s80 h ASN 130 Cb -0.03 -0.08 -0.07 0.00 0.27 0.00 0.00 38.32 38.41 1s80 h ASN 130 CO -0.11 0.54 0.41 1.56 -0.37 0.00 0.00 177.43 179.47 1s80 h GLN 131 N 0.03 0.69 0.00 6.67 1.08 -0.79 0.70 115.11 123.47 1s80 h GLN 131 Ca 0.04 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1s80 h GLN 131 Cb 0.40 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1s80 h GLN 131 CO 0.01 0.45 -0.03 0.82 -0.95 0.00 0.00 178.83 179.13 1s80 h ILE 132 N 0.71 0.91 -0.71 2.54 2.04 -0.60 0.13 117.51 122.53 1s80 h ILE 132 Ca 0.36 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.26 1s80 h ILE 132 Cb 0.31 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1s80 h ILE 132 CO -0.24 0.00 0.47 -1.28 0.00 0.00 0.00 178.15 177.10 1s80 h SER 133 N -0.06 0.71 -0.03 1.72 0.87 -0.48 0.30 113.55 116.58 1s80 h SER 133 Ca 0.01 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1s80 h SER 133 Cb 0.08 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1s80 h SER 133 CO -0.04 0.48 -0.32 0.58 -0.53 0.00 0.00 176.83 177.01 1s80 h VAL 134 N 0.82 1.48 -0.18 2.23 2.07 -0.56 -1.36 116.25 120.75 1s80 h VAL 134 Ca 0.29 -1.86 -0.14 0.00 0.82 0.00 0.00 66.70 65.81 1s80 h VAL 134 Cb 0.12 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1s80 h VAL 134 CO -0.09 0.52 -0.49 0.00 0.02 0.00 0.00 177.57 177.54 1s80 h ALA 135 N 0.34 0.81 0.00 1.67 0.00 -0.50 -3.38 119.26 118.20 1s80 h ALA 135 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1s80 h ALA 135 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1s80 h ALA 135 CO 0.06 0.67 0.00 1.19 0.00 0.00 0.00 179.25 181.17 1s80 n PHE 136 N -3.98 0.00 -2.96 0.00 3.01 0.10 -5.02 117.46 108.62 1s80 n PHE 136 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.21 1s80 n PHE 136 Cb 0.56 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.06 1s80 n PHE 136 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1s80 n ASP 137 N -0.40 -6.15 -4.05 4.37 10.43 -0.51 -4.63 116.55 115.61 1s80 n ASP 137 Ca 0.00 -0.26 -0.28 0.00 2.57 0.00 0.00 54.79 56.82 1s80 n ASP 137 Cb 0.03 -4.98 -0.17 0.00 1.84 0.00 0.00 41.12 37.84 1s80 n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1s80 s VAL 138 N -3.17 1.48 -0.45 2.53 1.01 -1.26 -2.18 120.40 118.35 1s80 s VAL 138 Ca 0.27 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1s80 s VAL 138 Cb -0.12 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.03 1s80 s VAL 138 CO 0.34 0.44 0.28 -0.62 0.00 0.00 0.00 175.10 175.53 1s80 s ASP 139 N 0.97 5.46 -0.16 3.32 -1.08 -0.30 -3.19 116.67 121.69 1s80 s ASP 139 Ca -0.07 -2.02 -0.00 0.00 -0.52 0.00 0.00 52.55 49.93 1s80 s ASP 139 Cb -0.15 -1.91 -0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1s80 s ASP 139 CO -0.01 -0.60 -0.13 -0.63 0.52 0.00 0.00 175.17 174.31 1s80 s ILE 140 N 1.17 2.85 0.26 4.11 1.01 -1.26 -0.04 121.20 129.30 1s80 s ILE 140 Ca 0.08 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 1s80 s ILE 140 Cb -0.24 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.92 1s80 s ILE 140 CO -0.03 0.50 1.16 -2.28 0.00 0.00 0.00 174.94 174.29 1s80 s HIS 141 N 0.83 3.46 0.33 3.97 5.65 -0.85 -4.92 115.29 123.76 1s80 s HIS 141 Ca -0.04 1.58 0.10 0.00 0.25 0.00 0.00 55.06 56.95 1s80 s HIS 141 Cb -0.15 -3.38 0.89 0.00 -1.18 0.00 0.00 32.58 28.76 1s80 s HIS 141 CO 0.00 -0.91 1.74 -1.35 -0.65 0.00 0.00 174.74 173.57 1s80 h PRO 142 N 4.18 0.57 0.00 2.88 0.11 -1.90 -2.50 132.00 135.34 1s80 h PRO 142 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s80 h PRO 142 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1s80 h PRO 142 CO 0.69 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 1s80 n ALA 143 N -2.33 2.29 -1.35 -0.75 0.00 -1.26 -4.17 120.51 112.93 1s80 n ALA 143 Ca 0.26 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.25 1s80 n ALA 143 Cb 0.74 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1s80 n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s80 s ALA 144 N -2.49 2.26 -0.30 0.00 0.00 -0.94 -4.73 121.76 115.57 1s80 s ALA 144 Ca 0.26 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 1s80 s ALA 144 Cb 0.17 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.99 1s80 s ALA 144 CO 0.37 -1.64 -0.02 0.15 0.00 0.00 0.00 175.76 174.62 1s80 s LYS 145 N -4.26 2.30 -0.13 0.00 1.02 -0.89 -5.00 119.74 112.78 1s80 s LYS 145 Ca 0.67 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 55.32 1s80 s LYS 145 Cb -0.22 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 1s80 s LYS 145 CO 0.47 -0.65 -0.17 0.42 -0.92 0.00 0.00 175.35 174.50 1s80 s ILE 146 N 1.19 2.69 0.00 2.17 1.01 -1.26 -0.19 121.20 126.80 1s80 s ILE 146 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1s80 s ILE 146 Cb -0.20 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1s80 s ILE 146 CO -0.03 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1s80 n GLY 147 N 3.62 0.12 3.45 6.18 0.00 0.11 -4.97 105.19 113.70 1s80 n GLY 147 Ca -0.19 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 1s80 n GLY 147 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1s80 s HIS 148 N 0.00 1.85 -0.19 1.61 -3.43 -1.26 -4.71 115.29 109.17 1s80 s HIS 148 Ca 0.00 -1.08 0.00 0.00 -0.80 0.00 0.00 55.06 53.18 1s80 s HIS 148 Cb 0.00 -1.19 0.00 0.00 -1.43 0.00 0.00 32.58 29.96 1s80 s HIS 148 CO 0.00 -0.13 0.00 0.41 -2.00 0.00 0.00 174.74 173.02 1s80 n GLY 149 N -0.72 0.53 0.00 -1.38 0.00 -1.26 -1.36 105.19 101.00 1s80 n GLY 149 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1s80 n GLY 149 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s80 n ILE 150 N -2.93 0.00 -2.80 -0.61 -0.00 -1.26 -3.68 119.36 108.08 1s80 n ILE 150 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.72 1s80 n ILE 150 Cb 0.07 -1.73 0.01 0.00 -0.00 0.00 0.00 39.64 37.99 1s80 n ILE 150 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1s80 s PHE 152 N -0.20 -0.83 -0.04 1.39 2.99 -1.26 -4.66 117.98 115.37 1s80 s PHE 152 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 56.93 56.52 1s80 s PHE 152 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 43.02 43.14 1s80 s PHE 152 CO 0.00 -0.62 1.27 0.34 -0.00 0.00 0.00 175.22 176.21 1s80 s ASP 153 N 1.34 6.98 -0.21 1.36 2.15 -0.55 -3.87 116.67 123.87 1s80 s ASP 153 Ca 0.21 1.91 -0.17 0.00 0.43 0.00 0.00 52.55 54.94 1s80 s ASP 153 Cb 0.05 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1s80 s ASP 153 CO -0.10 -0.63 0.29 1.41 -0.17 0.00 0.00 175.17 175.97 1s80 n HIS 154 N 5.28 -1.42 1.87 -5.34 8.25 -1.26 -2.71 115.22 119.89 1s80 n HIS 154 Ca 0.12 0.60 0.10 0.00 -0.26 0.00 0.00 57.72 58.28 1s80 n HIS 154 Cb 0.45 -1.58 0.56 0.00 1.12 0.00 0.00 29.99 30.55 1s80 n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s80 n ALA 155 N 0.61 2.60 -1.74 -1.41 0.00 -1.25 -2.52 120.51 116.80 1s80 n ALA 155 Ca -0.03 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1s80 n ALA 155 Cb 0.55 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1s80 n ALA 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s80 n THR 156 N -0.62 1.29 -0.66 0.00 -1.04 -1.26 -2.30 114.28 109.68 1s80 n THR 156 Ca 0.15 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1s80 n THR 156 Cb 0.11 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 1s80 n THR 156 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s80 n GLY 157 N 1.70 1.36 3.75 3.41 0.00 -0.93 -0.44 105.19 114.05 1s80 n GLY 157 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1s80 n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s80 s ILE 158 N -3.55 3.06 -0.10 -0.61 1.01 -0.97 -4.32 121.20 115.71 1s80 s ILE 158 Ca 0.00 0.95 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 1s80 s ILE 158 Cb 0.00 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.91 1s80 s ILE 158 CO 0.00 0.18 0.08 -0.69 0.00 0.00 0.00 174.94 174.51 1s80 s VAL 159 N -0.45 -0.11 -0.12 2.92 1.01 -0.77 -1.15 120.40 121.72 1s80 s VAL 159 Ca 0.53 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1s80 s VAL 159 Cb -0.37 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1s80 s VAL 159 CO 0.43 -0.01 -0.22 -0.69 0.00 0.00 0.00 175.10 174.61 1s80 s VAL 160 N 2.17 2.00 0.72 2.92 1.01 0.94 -0.56 120.40 129.60 1s80 s VAL 160 Ca 0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1s80 s VAL 160 Cb -0.14 -1.76 0.10 0.00 0.00 0.00 0.00 36.38 34.58 1s80 s VAL 160 CO -0.06 0.54 1.01 -0.83 0.00 0.00 0.00 175.10 175.76 1s80 s GLY 161 N 0.61 1.75 0.42 4.51 0.00 -1.08 -2.00 107.32 111.53 1s80 s GLY 161 Ca -0.12 -1.29 0.10 0.00 0.00 0.00 0.00 44.72 43.41 1s80 s GLY 161 CO 0.03 -0.80 2.02 -2.09 0.00 0.00 0.00 173.10 172.25 1s80 h GLU 162 N -0.60 0.49 -0.19 2.90 4.81 -1.90 -2.35 114.58 117.73 1s80 h GLU 162 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1s80 h GLU 162 Cb 1.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1s80 h GLU 162 CO 0.50 0.32 0.00 2.41 -0.73 0.00 0.00 179.01 181.51 1s80 n THR 163 N -4.47 0.32 -1.23 0.32 -1.04 -1.26 -3.02 114.28 103.89 1s80 n THR 163 Ca 0.07 -0.66 -0.34 0.00 -2.04 0.00 0.00 64.05 61.08 1s80 n THR 163 Cb 0.22 1.09 0.12 0.00 -1.82 0.00 0.00 70.33 69.93 1s80 n THR 163 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1s80 s SER 164 N -1.32 3.78 -0.07 8.00 0.01 -0.89 -4.68 113.70 118.54 1s80 s SER 164 Ca 0.26 2.40 -0.01 0.00 1.31 0.00 0.00 55.95 59.91 1s80 s SER 164 Cb 0.16 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.83 1s80 s SER 164 CO 0.23 -2.54 -0.01 -0.69 0.41 0.00 0.00 173.24 170.64 1s80 s VAL 165 N -2.03 0.45 -0.21 3.43 1.01 -0.98 -2.10 120.40 119.98 1s80 s VAL 165 Ca 0.75 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1s80 s VAL 165 Cb -0.30 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1s80 s VAL 165 CO 0.49 0.26 -0.13 -0.63 0.00 0.00 0.00 175.10 175.09 1s80 s ILE 166 N 1.79 2.56 0.47 2.22 1.01 0.73 -0.21 121.20 129.77 1s80 s ILE 166 Ca 0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1s80 s ILE 166 Cb -0.13 -2.16 0.10 0.00 0.01 0.00 0.00 42.46 40.28 1s80 s ILE 166 CO -0.05 0.43 0.64 -0.62 0.00 0.00 0.00 174.94 175.35 1s80 n GLU 167 N 4.67 -0.13 -1.10 2.79 1.02 -0.45 0.06 120.64 127.50 1s80 n GLU 167 Ca -0.19 -1.44 -0.32 0.00 -0.02 0.00 0.00 57.16 55.19 1s80 n GLU 167 Cb 0.49 -0.52 0.12 0.00 -0.02 0.00 0.00 31.44 31.51 1s80 n GLU 167 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1s80 s ASN 168 N -3.50 3.88 -1.06 1.62 0.01 -1.26 -3.74 114.94 110.89 1s80 s ASN 168 Ca 0.40 2.06 0.00 0.00 -0.71 0.00 0.00 52.86 54.61 1s80 s ASN 168 Cb -0.02 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1s80 s ASN 168 CO 0.27 -2.46 0.00 0.47 -1.51 0.00 0.00 177.10 173.87 1s80 n ASP 169 N -3.60 -5.29 -4.76 -1.22 9.92 -0.47 -2.32 116.55 108.81 1s80 n ASP 169 Ca 0.11 0.25 -0.39 0.00 -0.53 0.00 0.00 54.79 54.22 1s80 n ASP 169 Cb 0.52 -3.67 -0.05 0.00 -0.64 0.00 0.00 41.12 37.28 1s80 n ASP 169 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1s80 s VAL 170 N -2.01 3.89 -0.10 2.53 1.01 -1.25 -3.90 120.40 120.58 1s80 s VAL 170 Ca 0.00 1.79 0.02 0.00 0.00 0.00 0.00 61.98 63.78 1s80 s VAL 170 Cb 0.00 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1s80 s VAL 170 CO 0.00 0.34 -0.14 -0.44 0.00 0.00 0.00 175.10 174.85 1s80 s SER 171 N -1.22 3.94 -0.03 3.32 0.01 0.08 -4.38 113.70 115.42 1s80 s SER 171 Ca 0.46 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1s80 s SER 171 Cb -0.26 -1.30 0.03 0.00 0.21 0.00 0.00 66.02 64.70 1s80 s SER 171 CO 0.32 0.23 0.01 -0.63 0.41 0.00 0.00 173.24 173.58 1s80 s ILE 172 N -0.05 0.13 0.50 1.44 1.01 -1.26 -0.55 121.20 122.42 1s80 s ILE 172 Ca -0.03 0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1s80 s ILE 172 Cb -0.14 -0.23 0.09 0.00 0.01 0.00 0.00 42.46 42.19 1s80 s ILE 172 CO 0.04 0.13 0.69 0.18 0.00 0.00 0.00 174.94 175.98 1s80 n LEU 173 N 4.14 0.00 -4.59 2.97 4.77 -1.00 -1.49 117.00 121.80 1s80 n LEU 173 Ca -0.27 -1.89 -0.43 0.00 -0.03 0.00 0.00 56.01 53.40 1s80 n LEU 173 Cb 0.50 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1s80 n LEU 173 CO 0.22 -0.74 0.53 0.00 -1.33 0.00 0.00 177.39 176.07 1s80 n GLN 174 N -2.16 1.28 -0.98 3.23 0.00 -1.05 -3.39 117.38 114.31 1s80 n GLN 174 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 57.00 57.59 1s80 n GLN 174 Cb 0.47 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.81 1s80 n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s80 n GLY 175 N 1.25 0.96 3.74 2.61 0.00 0.42 -0.62 105.19 113.55 1s80 n GLY 175 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1s80 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s80 s VAL 176 N -3.89 3.67 -0.00 1.61 1.01 -1.22 -4.13 120.40 117.45 1s80 s VAL 176 Ca 0.00 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.52 1s80 s VAL 176 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1s80 s VAL 176 CO 0.00 0.27 -0.22 -0.89 0.00 0.00 0.00 175.10 174.26 1s80 s THR 177 N -0.37 2.45 -0.44 3.92 2.01 -0.60 -1.84 115.64 120.77 1s80 s THR 177 Ca 0.50 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1s80 s THR 177 Cb -0.31 -1.94 0.12 0.00 0.01 0.00 0.00 72.50 70.38 1s80 s THR 177 CO 0.37 0.50 0.21 -0.76 -0.69 0.00 0.00 174.62 174.24 1s80 s LEU 178 N -0.92 4.92 0.00 4.42 1.43 0.27 -1.19 118.68 127.61 1s80 s LEU 178 Ca 0.12 -2.40 0.00 0.00 -1.03 0.00 0.00 54.13 50.82 1s80 s LEU 178 Cb -0.10 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1s80 s LEU 178 CO 0.01 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.80 1s80 n GLY 179 N 4.02 2.20 0.00 -3.19 0.00 0.17 -2.65 105.19 105.74 1s80 n GLY 179 Ca 0.03 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1s80 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s80 n GLY 180 N 1.63 2.89 1.05 -0.02 0.00 -1.23 -4.77 105.19 104.75 1s80 n GLY 180 Ca 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 1s80 n GLY 180 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s80 n THR 181 N 1.37 0.00 -0.44 2.61 -1.04 -1.26 -4.02 114.28 111.49 1s80 n THR 181 Ca 0.00 -0.77 -0.06 0.00 -2.04 0.00 0.00 64.05 61.18 1s80 n THR 181 Cb 0.00 0.33 -0.06 0.00 -1.82 0.00 0.00 70.33 68.78 1s80 n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s80 n GLY 182 N 0.59 -0.14 0.01 3.41 0.00 -1.26 -4.17 105.19 103.64 1s80 n GLY 182 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s80 n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s80 n LYS 183 N 1.65 0.00 -2.36 1.61 4.76 -1.26 -5.02 118.16 117.54 1s80 n LYS 183 Ca 0.18 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.57 1s80 n LYS 183 Cb 0.06 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.24 1s80 n LYS 183 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1s80 n GLU 184 N 0.92 1.72 -4.18 1.97 1.02 -1.26 -5.18 120.64 115.66 1s80 n GLU 184 Ca 0.00 -0.62 -0.11 0.00 -0.02 0.00 0.00 57.16 56.41 1s80 n GLU 184 Cb 0.00 0.15 -0.10 0.00 -0.02 0.00 0.00 31.44 31.47 1s80 n GLU 184 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1s80 s SER 185 N -1.48 0.30 -0.25 1.62 1.04 -1.26 -5.07 113.70 108.59 1s80 s SER 185 Ca 0.01 -1.29 -0.01 0.00 0.48 0.00 0.00 55.95 55.14 1s80 s SER 185 Cb -0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1s80 s SER 185 CO 0.01 -0.77 0.03 0.61 0.98 0.00 0.00 173.24 174.09 1s80 n GLY 186 N -0.18 -3.86 1.98 7.32 0.00 -1.26 -4.77 105.19 104.42 1s80 n GLY 186 Ca -0.02 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1s80 n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s80 n ASP 187 N 0.51 -3.91 -0.07 1.61 4.64 -1.26 -5.01 116.55 113.05 1s80 n ASP 187 Ca 0.01 0.06 0.04 0.00 -1.38 0.00 0.00 54.79 53.52 1s80 n ASP 187 Cb 0.02 -2.42 -0.03 0.00 -1.04 0.00 0.00 41.12 37.65 1s80 n ASP 187 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1s80 n ARG 188 N -0.91 3.34 -4.37 -0.67 3.00 -1.26 -4.64 116.66 111.15 1s80 n ARG 188 Ca 0.02 -0.20 -0.30 0.00 -0.01 0.00 0.00 57.85 57.36 1s80 n ARG 188 Cb 0.35 -0.98 -0.11 0.00 0.00 0.00 0.00 32.46 31.72 1s80 n ARG 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1s80 s HIS 189 N -1.68 2.62 0.86 -1.55 3.76 -1.26 -1.13 115.29 116.91 1s80 s HIS 189 Ca 0.05 -0.22 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 1s80 s HIS 189 Cb 0.07 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1s80 s HIS 189 CO 0.33 0.37 0.25 -2.30 -0.85 0.00 0.00 174.74 172.54 1s80 n PRO 190 N 0.98 -0.04 -3.91 8.40 -0.02 -1.05 -4.25 135.00 135.11 1s80 n PRO 190 Ca -0.15 0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 1s80 n PRO 190 Cb 0.52 -1.69 -0.14 0.00 -0.02 0.00 0.00 33.50 32.17 1s80 n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1s80 s LYS 191 N -3.01 1.45 -0.36 -0.52 -0.14 -0.81 -2.31 119.74 114.03 1s80 s LYS 191 Ca 0.57 -1.95 -0.22 0.00 -1.36 0.00 0.00 55.97 53.01 1s80 s LYS 191 Cb -0.26 -2.90 0.01 0.00 -1.68 0.00 0.00 37.83 33.00 1s80 s LYS 191 CO 0.66 -1.02 0.73 0.08 -0.76 0.00 0.00 175.35 175.04 1s80 s VAL 192 N 0.64 4.79 0.87 3.17 1.01 0.70 -1.62 120.40 129.96 1s80 s VAL 192 Ca 0.13 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 1s80 s VAL 192 Cb -0.21 -4.16 0.19 0.00 0.00 0.00 0.00 36.38 32.19 1s80 s VAL 192 CO -0.08 -0.39 1.19 0.54 0.00 0.00 0.00 175.10 176.36 1s80 n ARG 193 N 6.28 -0.73 -2.50 2.72 5.12 -0.73 -1.34 116.66 125.49 1s80 n ARG 193 Ca 0.02 -2.42 -0.34 0.00 -1.93 0.00 0.00 57.85 53.17 1s80 n ARG 193 Cb 0.48 -1.04 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 1s80 n ARG 193 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1s80 s GLU 194 N -5.56 3.73 0.00 5.56 -1.05 -1.26 -3.69 118.70 116.43 1s80 s GLU 194 Ca 0.72 1.39 0.00 0.00 -0.15 0.00 0.00 54.97 56.93 1s80 s GLU 194 Cb -0.03 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 1s80 s GLU 194 CO 0.49 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.62 1s80 n GLY 195 N -0.22 0.60 0.00 -3.83 0.00 -0.98 -0.84 105.19 99.93 1s80 n GLY 195 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1s80 n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s80 n VAL 196 N -2.57 0.00 -3.17 1.61 0.31 -1.24 -4.10 118.33 109.17 1s80 n VAL 196 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1s80 n VAL 196 Cb 0.04 -0.94 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 1s80 n VAL 196 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s80 s ILE 198 N -0.17 -0.14 0.80 2.52 1.01 0.29 -0.74 121.20 124.77 1s80 s ILE 198 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1s80 s ILE 198 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.55 1s80 s ILE 198 CO 0.00 0.00 1.12 -0.83 0.00 0.00 0.00 174.94 175.23 1s80 s GLY 199 N 2.76 1.78 0.25 6.18 0.00 -0.56 -2.38 107.32 115.36 1s80 s GLY 199 Ca -0.05 0.44 -0.31 0.00 0.00 0.00 0.00 44.72 44.80 1s80 s GLY 199 CO -0.10 0.81 1.30 0.00 0.00 0.00 0.00 173.10 175.11 1s80 n ALA 200 N -3.58 0.64 -0.84 3.20 0.00 -1.26 -2.13 120.51 116.54 1s80 n ALA 200 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1s80 n ALA 200 Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1s80 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s80 n GLY 201 N 1.82 1.05 3.77 0.00 0.00 0.21 -0.42 105.19 111.61 1s80 n GLY 201 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1s80 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s80 s ALA 202 N -3.53 2.86 -0.17 4.61 0.00 -0.91 -4.09 121.76 120.53 1s80 s ALA 202 Ca 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1s80 s ALA 202 Cb 0.00 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.75 1s80 s ALA 202 CO 0.00 -0.83 -0.02 0.15 0.00 0.00 0.00 175.76 175.06 1s80 s LYS 203 N -2.89 1.10 -0.34 0.00 1.02 0.17 -1.56 119.74 117.24 1s80 s LYS 203 Ca 0.68 -0.47 -0.04 0.00 0.02 0.00 0.00 55.97 56.16 1s80 s LYS 203 Cb -0.30 -1.99 0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1s80 s LYS 203 CO 0.35 -0.51 0.10 0.42 -0.92 0.00 0.00 175.35 174.79 1s80 s ILE 204 N 1.72 3.41 -0.04 2.17 1.01 -0.33 -1.38 121.20 127.76 1s80 s ILE 204 Ca -0.00 -1.45 0.03 0.00 0.00 0.00 0.00 60.65 59.24 1s80 s ILE 204 Cb -0.16 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1s80 s ILE 204 CO -0.07 -0.29 -0.13 -0.76 0.00 0.00 0.00 174.94 173.70 1s80 s LEU 205 N 1.29 2.84 0.00 2.97 1.43 -0.88 0.42 118.68 126.75 1s80 s LEU 205 Ca -0.01 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1s80 s LEU 205 Cb -0.21 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1s80 s LEU 205 CO -0.00 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1s80 n GLY 206 N 2.14 -0.34 3.56 -3.19 0.00 -1.23 -4.50 105.19 101.64 1s80 n GLY 206 Ca -0.17 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 1s80 n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s80 s ASN 207 N -1.97 5.43 0.02 1.61 2.47 -0.28 -2.53 114.94 119.69 1s80 s ASN 207 Ca 0.00 -0.72 -0.08 0.00 0.42 0.00 0.00 52.86 52.48 1s80 s ASN 207 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1s80 s ASN 207 CO 0.00 -2.46 0.16 0.27 -3.72 0.00 0.00 177.10 171.35 1s80 s ILE 208 N 8.93 0.10 -0.12 -5.21 -4.36 -1.26 -4.94 121.20 114.34 1s80 s ILE 208 Ca 0.64 -0.86 -0.23 0.00 -0.26 0.00 0.00 60.65 59.95 1s80 s ILE 208 Cb -0.06 -0.73 -0.03 0.00 1.25 0.00 0.00 42.46 42.89 1s80 s ILE 208 CO -0.00 -0.47 0.70 -1.61 0.24 0.00 0.00 174.94 173.80 1s80 s GLU 209 N -2.11 4.35 -0.44 0.37 0.41 -1.26 -1.93 118.70 118.09 1s80 s GLU 209 Ca -0.09 0.83 -0.15 0.00 -0.41 0.00 0.00 54.97 55.15 1s80 s GLU 209 Cb -0.04 -3.50 0.05 0.00 -1.78 0.00 0.00 34.13 28.86 1s80 s GLU 209 CO -0.02 -0.08 0.35 0.08 -0.49 0.00 0.00 175.26 175.10 1s80 s VAL 210 N 1.32 5.22 0.60 2.63 1.01 -0.64 -0.87 120.40 129.67 1s80 s VAL 210 Ca 0.35 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1s80 s VAL 210 Cb -0.17 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1s80 s VAL 210 CO 0.15 -0.45 1.21 -0.83 0.00 0.00 0.00 175.10 175.18 1s80 s GLY 211 N 2.16 2.75 0.30 4.51 0.00 0.17 -1.77 107.32 115.43 1s80 s GLY 211 Ca 0.04 1.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.49 1s80 s GLY 211 CO 0.08 1.41 1.28 0.58 0.00 0.00 0.00 173.10 176.46 1s80 n LYS 212 N -1.61 1.95 -1.36 2.90 2.85 -1.26 -2.10 118.16 119.54 1s80 n LYS 212 Ca 0.14 0.69 -0.12 0.00 -1.05 0.00 0.00 58.31 57.96 1s80 n LYS 212 Cb 0.50 -2.26 -0.05 0.00 -0.65 0.00 0.00 35.03 32.56 1s80 n LYS 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1s80 n TYR 213 N 0.86 0.00 -1.90 5.58 4.02 -0.02 -1.29 117.16 124.41 1s80 n TYR 213 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.65 1s80 n TYR 213 Cb 0.34 -2.37 0.02 0.00 -0.02 0.00 0.00 39.34 37.31 1s80 n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s80 s ALA 214 N -2.37 2.71 -0.19 -0.72 0.00 -0.89 -3.96 121.76 116.34 1s80 s ALA 214 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1s80 s ALA 214 Cb 0.00 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1s80 s ALA 214 CO 0.00 -0.94 -0.17 0.15 0.00 0.00 0.00 175.76 174.79 1s80 s LYS 215 N -4.33 2.97 -0.12 0.00 3.01 0.01 -4.42 119.74 116.85 1s80 s LYS 215 Ca 0.62 -0.85 -0.13 0.00 -1.01 0.00 0.00 55.97 54.60 1s80 s LYS 215 Cb -0.16 -2.65 -0.05 0.00 -1.01 0.00 0.00 37.83 33.96 1s80 s LYS 215 CO 0.42 -0.24 0.29 0.42 0.51 0.00 0.00 175.35 176.75 1s80 s ILE 216 N 1.30 5.28 0.64 2.17 -1.09 -1.26 -0.95 121.20 127.28 1s80 s ILE 216 Ca 0.04 0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.90 1s80 s ILE 216 Cb -0.14 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1s80 s ILE 216 CO -0.11 0.46 1.04 -0.83 -1.23 0.00 0.00 174.94 174.27 1s80 s GLY 217 N -0.09 1.67 0.68 6.18 0.00 0.28 -1.49 107.32 114.56 1s80 s GLY 217 Ca 0.18 -0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 1s80 s GLY 217 CO 0.06 0.24 1.25 0.00 0.00 0.00 0.00 173.10 174.64 1s80 s ALA 218 N -3.13 2.27 -0.76 3.20 0.00 -1.26 -2.52 121.76 119.55 1s80 s ALA 218 Ca 0.56 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1s80 s ALA 218 Cb -0.12 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1s80 s ALA 218 CO 0.54 -1.69 0.00 0.09 0.00 0.00 0.00 175.76 174.69 1s80 n ASN 219 N -2.25 -2.09 -4.80 0.00 3.02 0.44 -4.77 115.26 104.82 1s80 n ASN 219 Ca 0.15 0.21 -0.34 0.00 -0.03 0.00 0.00 54.58 54.56 1s80 n ASN 219 Cb 0.49 -2.11 -0.05 0.00 -0.61 0.00 0.00 39.78 37.51 1s80 n ASN 219 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1s80 s SER 220 N -1.69 6.57 -0.36 6.41 0.01 -1.05 -4.65 113.70 118.94 1s80 s SER 220 Ca 0.00 1.87 0.02 0.00 1.31 0.00 0.00 55.95 59.15 1s80 s SER 220 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.78 1s80 s SER 220 CO 0.00 -0.62 0.09 -0.69 0.41 0.00 0.00 173.24 172.43 1s80 s VAL 221 N -2.00 2.53 -0.57 3.43 1.01 -1.09 0.46 120.40 124.17 1s80 s VAL 221 Ca 0.65 -2.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.11 1s80 s VAL 221 Cb -0.15 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.46 1s80 s VAL 221 CO 0.19 -0.62 0.85 -0.69 0.00 0.00 0.00 175.10 174.82 1s80 s VAL 222 N 0.94 4.53 -0.47 2.92 1.01 -0.48 -0.94 120.40 127.92 1s80 s VAL 222 Ca 0.10 -0.20 0.18 0.00 0.00 0.00 0.00 61.98 62.07 1s80 s VAL 222 Cb -0.20 -4.51 -0.24 0.00 0.00 0.00 0.00 36.38 31.43 1s80 s VAL 222 CO -0.07 -1.13 0.60 0.18 0.00 0.00 0.00 175.10 174.68 1s80 n LEU 223 N 7.10 0.46 -4.57 3.92 4.77 -1.26 -2.07 117.00 125.35 1s80 n LEU 223 Ca -0.03 -0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 1s80 n LEU 223 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1s80 n LEU 223 CO 0.61 0.11 -0.43 0.20 -1.33 0.00 0.00 177.39 176.55 1s80 s ASN 224 N -3.35 4.33 0.29 -1.43 0.01 -1.26 -4.92 114.94 108.60 1s80 s ASN 224 Ca 0.01 -0.42 -0.29 0.00 -0.71 0.00 0.00 52.86 51.45 1s80 s ASN 224 Cb 0.13 -0.80 -0.14 0.00 0.41 0.00 0.00 41.25 40.85 1s80 s ASN 224 CO 0.75 0.17 1.10 -2.65 -1.51 0.00 0.00 177.10 174.96 1s80 n PRO 225 N 0.65 1.55 -4.22 -0.60 -0.02 -1.26 -4.93 135.00 126.16 1s80 n PRO 225 Ca -0.13 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 1s80 n PRO 225 Cb 0.53 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.88 1s80 n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s80 s VAL 226 N -0.95 3.36 0.78 -1.45 1.01 -0.05 -4.98 120.40 118.12 1s80 s VAL 226 Ca 0.59 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1s80 s VAL 226 Cb -0.68 -2.49 0.06 0.00 0.00 0.00 0.00 36.38 33.28 1s80 s VAL 226 CO 0.59 0.46 1.09 -2.16 0.00 0.00 0.00 175.10 175.09 1s80 s PRO 227 N 0.99 2.19 0.48 2.72 0.04 -1.26 0.46 135.00 140.62 1s80 s PRO 227 Ca -0.00 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 1s80 s PRO 227 Cb -0.15 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1s80 s PRO 227 CO 0.00 -1.67 0.92 0.39 0.04 0.00 0.00 177.00 176.68 1s80 n GLU 228 N -3.54 1.10 -0.67 4.56 1.02 -1.26 -2.18 120.64 119.67 1s80 n GLU 228 Ca 0.09 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1s80 n GLU 228 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1s80 n GLU 228 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1s80 n TYR 229 N -0.96 0.00 -3.00 -0.32 4.02 -0.41 -4.88 117.16 111.61 1s80 n TYR 229 Ca 0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.66 1s80 n TYR 229 Cb 0.42 -1.40 -0.06 0.00 -0.02 0.00 0.00 39.34 38.28 1s80 n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s80 s ALA 230 N -1.35 3.24 -0.14 -0.72 0.00 -0.93 -4.75 121.76 117.11 1s80 s ALA 230 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 1s80 s ALA 230 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1s80 s ALA 230 CO 0.00 0.26 0.16 0.99 0.00 0.00 0.00 175.76 177.16 1s80 s THR 231 N -1.93 5.44 -0.03 0.00 2.01 -1.26 -0.81 115.64 119.06 1s80 s THR 231 Ca 0.54 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.85 1s80 s THR 231 Cb -0.12 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1s80 s THR 231 CO 0.17 0.54 -0.19 0.00 -0.69 0.00 0.00 174.62 174.45 1s80 s ALA 232 N -0.47 1.65 0.13 7.40 0.00 -0.12 -1.74 121.76 128.60 1s80 s ALA 232 Ca 0.13 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1s80 s ALA 232 Cb -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1s80 s ALA 232 CO 0.02 0.37 0.28 0.00 0.00 0.00 0.00 175.76 176.43 1s80 s ALA 233 N -0.29 -0.32 0.00 0.00 0.00 -0.66 -0.55 121.76 119.93 1s80 s ALA 233 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1s80 s ALA 233 Cb -0.09 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1s80 s ALA 233 CO 0.00 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1s80 n GLY 234 N -0.16 1.30 2.81 0.00 0.00 -1.26 -0.07 105.19 107.81 1s80 n GLY 234 Ca -0.12 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 1s80 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s80 s VAL 235 N -2.24 0.68 0.98 1.61 0.11 -1.26 -2.67 120.40 117.62 1s80 s VAL 235 Ca 0.00 -0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 1s80 s VAL 235 Cb 0.00 -0.92 0.17 0.00 -1.53 0.00 0.00 36.38 34.09 1s80 s VAL 235 CO 0.00 0.11 1.01 -0.81 -3.33 0.00 0.00 175.10 172.08 1s80 n PRO 236 N 5.03 -0.91 -2.51 1.54 -0.04 -1.26 -5.00 135.00 131.85 1s80 n PRO 236 Ca -0.09 -0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 62.83 1s80 n PRO 236 Cb 0.49 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1s80 n PRO 236 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s80 s ALA 237 N -2.55 2.94 0.00 0.55 0.00 -0.11 -4.87 121.76 117.71 1s80 s ALA 237 Ca 0.66 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 1s80 s ALA 237 Cb -0.23 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1s80 s ALA 237 CO 0.61 -0.25 0.08 -0.98 0.00 0.00 0.00 175.76 175.21 1s80 s ARG 238 N -3.53 0.39 0.49 0.00 1.70 0.90 -4.90 118.95 114.00 1s80 s ARG 238 Ca 0.63 -0.41 -0.22 0.00 -0.47 0.00 0.00 55.73 55.26 1s80 s ARG 238 Cb -0.13 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.34 1s80 s ARG 238 CO 0.23 -0.08 1.22 0.42 -1.08 0.00 0.00 175.30 176.01 1s80 s ILE 239 N -1.27 2.80 0.00 4.99 -1.09 -1.26 -1.65 121.20 123.72 1s80 s ILE 239 Ca -0.14 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1s80 s ILE 239 Cb -0.08 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1s80 s ILE 239 CO 0.01 -0.02 0.46 0.52 -1.23 0.00 0.00 174.94 174.68