#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sst h THR 2 N 0.00 1.42 0.00 2.03 2.02 -1.97 -2.88 112.91 113.52 1sst h THR 2 Ca 0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1sst h THR 2 Cb 0.00 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1sst h THR 2 CO 0.00 0.65 0.00 0.18 0.37 0.00 0.00 175.52 176.72 1sst n LEU 3 N -3.66 0.49 -0.06 2.58 4.32 -1.26 -1.72 117.00 117.69 1sst n LEU 3 Ca -0.01 0.58 -0.15 0.00 -0.02 0.00 0.00 56.01 56.41 1sst n LEU 3 Cb 0.67 -0.47 -0.14 0.00 -1.62 0.00 0.00 43.42 41.87 1sst n LEU 3 CO 0.42 -0.29 -0.95 -0.67 -1.22 0.00 0.00 177.39 174.69 1sst n ASP 4 N -1.99 1.32 -0.08 -1.43 -0.08 -1.09 -2.57 116.55 110.63 1sst n ASP 4 Ca 0.04 0.13 -0.13 0.00 -1.51 0.00 0.00 54.79 53.32 1sst n ASP 4 Cb 0.30 -0.15 -0.01 0.00 2.34 0.00 0.00 41.12 43.61 1sst n ASP 4 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1sst h VAL 5 N 0.02 1.28 -0.21 5.18 2.07 -1.60 -2.09 116.25 120.90 1sst h VAL 5 Ca -0.46 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 65.34 1sst h VAL 5 Cb 2.04 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1sst h VAL 5 CO 0.03 0.54 -0.14 -0.25 0.02 0.00 0.00 177.57 177.78 1sst h TRP 6 N 0.66 0.36 -0.33 1.57 -0.00 -1.46 -0.82 115.95 115.94 1sst h TRP 6 Ca 0.03 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.89 58.77 1sst h TRP 6 Cb 1.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 30.11 1sst h TRP 6 CO 0.06 0.48 -0.22 1.96 -0.00 0.00 0.00 178.44 180.72 1sst h GLN 7 N 0.32 0.73 0.13 2.65 1.08 -1.17 0.54 115.11 119.39 1sst h GLN 7 Ca 0.06 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 1sst h GLN 7 Cb 0.44 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1sst h GLN 7 CO 0.03 0.96 -0.06 0.45 -0.95 0.00 0.00 178.83 179.25 1sst h HIS 8 N 0.50 -0.16 -0.35 2.96 3.86 -1.12 -1.35 115.15 119.50 1sst h HIS 8 Ca 0.07 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1sst h HIS 8 Cb 0.77 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 29.23 1sst h HIS 8 CO 0.06 0.02 -0.07 0.82 0.86 0.00 0.00 177.93 179.62 1sst h ILE 9 N -0.31 0.67 -0.10 2.45 2.04 -1.03 0.18 117.51 121.41 1sst h ILE 9 Ca -0.02 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1sst h ILE 9 Cb 0.25 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1sst h ILE 9 CO 0.03 0.00 0.02 0.03 0.00 0.00 0.00 178.15 178.23 1sst h ARG 10 N 0.02 0.06 -0.53 2.37 3.08 -0.81 -0.39 114.38 118.18 1sst h ARG 10 Ca 0.17 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1sst h ARG 10 Cb 0.25 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1sst h ARG 10 CO -0.34 0.04 0.24 0.37 -1.07 0.00 0.00 179.97 179.20 1sst h GLN 11 N 0.06 0.75 -0.35 0.04 5.75 -0.47 -2.02 115.11 118.88 1sst h GLN 11 Ca 0.04 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1sst h GLN 11 Cb 0.03 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1sst h GLN 11 CO -0.05 0.60 0.01 0.93 -2.65 0.00 0.00 178.83 177.66 1sst h GLU 12 N 0.75 0.61 -0.74 1.69 5.08 -0.24 -2.98 114.58 118.75 1sst h GLU 12 Ca 0.19 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1sst h GLU 12 Cb 0.11 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1sst h GLU 12 CO -0.02 0.72 0.43 0.00 -1.00 0.00 0.00 179.01 179.14 1sst h ALA 13 N 0.86 1.01 -0.51 3.43 0.00 -0.44 0.71 119.26 124.32 1sst h ALA 13 Ca 0.10 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1sst h ALA 13 Cb 0.44 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1sst h ALA 13 CO 0.02 0.13 0.27 0.87 0.00 0.00 0.00 179.25 180.53 1sst h LYS 14 N 0.79 0.50 0.34 0.00 1.57 -1.31 -1.16 116.57 117.31 1sst h LYS 14 Ca 0.33 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1sst h LYS 14 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1sst h LYS 14 CO -0.18 0.33 -0.16 1.49 -0.57 0.00 0.00 179.45 180.36 1sst h GLU 15 N 0.52 -0.44 -0.91 3.15 4.81 -1.23 -2.64 114.58 117.83 1sst h GLU 15 Ca 0.22 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.66 1sst h GLU 15 Cb 0.12 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 1sst h GLU 15 CO -0.15 -0.14 0.59 -0.07 -0.73 0.00 0.00 179.01 178.51 1sst h LEU 16 N -0.77 0.57 -0.24 1.64 3.38 -0.73 0.79 115.31 119.95 1sst h LEU 16 Ca -0.05 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1sst h LEU 16 Cb 0.51 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1sst h LEU 16 CO 0.08 0.25 -0.44 0.00 0.09 0.00 0.00 178.44 178.42 1sst h ALA 17 N 1.61 0.38 -0.33 1.53 0.00 -1.23 -1.46 119.26 119.76 1sst h ALA 17 Ca 0.47 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1sst h ALA 17 Cb 0.93 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1sst h ALA 17 CO -0.22 0.51 0.10 0.93 0.00 0.00 0.00 179.25 180.57 1sst h GLU 18 N 0.45 0.48 0.00 0.00 5.08 -0.53 -2.73 114.58 117.33 1sst h GLU 18 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1sst h GLU 18 Cb 1.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1sst h GLU 18 CO 0.10 0.43 -0.39 -0.91 -1.00 0.00 0.00 179.01 177.24 1sst h ASN 19 N 0.47 0.00 -3.03 1.42 4.21 -0.96 -3.42 115.58 114.28 1sst h ASN 19 Ca 0.11 -0.10 -0.60 0.00 1.21 0.00 0.00 56.30 56.93 1sst h ASN 19 Cb 0.16 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 36.97 1sst h ASN 19 CO -0.01 0.05 -0.79 -0.70 -1.29 0.00 0.00 177.43 174.69 1sst s GLU 20 N -3.17 1.22 0.40 0.81 2.56 -0.57 -5.00 118.70 114.95 1sst s GLU 20 Ca 0.07 -2.08 0.13 0.00 0.00 0.00 0.00 54.97 53.09 1sst s GLU 20 Cb 0.12 -2.09 0.95 0.00 2.00 0.00 0.00 34.13 35.11 1sst s GLU 20 CO 0.68 -1.24 1.89 -1.35 -0.56 0.00 0.00 175.26 174.69 1sst h PRO 21 N 6.36 0.52 0.00 4.30 0.11 -1.82 -0.12 132.00 141.35 1sst h PRO 21 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1sst h PRO 21 Cb 0.91 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1sst h PRO 21 CO 0.45 0.34 0.00 -1.33 -0.21 0.00 0.00 178.00 177.25 1sst n MET 22 N -4.52 0.55 0.00 1.05 2.81 -1.26 -3.09 117.12 112.67 1sst n MET 22 Ca 0.16 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1sst n MET 22 Cb 0.52 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1sst n MET 22 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1sst n LEU 23 N -1.12 0.52 -0.22 4.03 7.94 -0.14 -4.78 117.00 123.22 1sst n LEU 23 Ca 0.15 -0.56 -0.00 0.00 -1.11 0.00 0.00 56.01 54.48 1sst n LEU 23 Cb 0.12 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.18 1sst n LEU 23 CO 0.15 0.13 1.04 0.00 -1.11 0.00 0.00 177.39 177.60 1sst h ALA 24 N 0.00 0.85 -0.57 1.96 0.00 -1.26 -0.77 119.26 119.47 1sst h ALA 24 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1sst h ALA 24 Cb 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1sst h ALA 24 CO 0.00 -0.09 0.31 0.66 0.00 0.00 0.00 179.25 180.13 1sst h SER 25 N 0.54 0.45 -0.02 0.00 4.64 -1.86 -0.78 113.55 116.52 1sst h SER 25 Ca 0.31 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.66 1sst h SER 25 Cb 0.31 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1sst h SER 25 CO -0.25 0.30 -0.02 0.15 -0.87 0.00 0.00 176.83 176.15 1sst h PHE 26 N 0.58 -0.04 -0.96 4.77 3.57 -1.65 -0.83 116.94 122.38 1sst h PHE 26 Ca 0.25 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1sst h PHE 26 Cb 0.14 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1sst h PHE 26 CO -0.09 -0.03 0.63 0.74 -2.23 0.00 0.00 178.31 177.34 1sst h PHE 27 N -0.02 1.20 -0.42 0.41 0.05 -0.56 -2.19 116.94 115.40 1sst h PHE 27 Ca 0.01 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.77 1sst h PHE 27 Cb 0.04 -0.40 -0.02 0.00 2.00 0.00 0.00 35.95 37.57 1sst h PHE 27 CO -0.10 0.73 0.03 0.45 -0.18 0.00 0.00 178.31 179.24 1sst h HIS 28 N 1.27 0.78 -0.24 -0.55 3.86 -0.81 -1.64 115.15 117.83 1sst h HIS 28 Ca 0.37 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1sst h HIS 28 Cb -0.09 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1sst h HIS 28 CO -0.00 0.77 0.01 0.77 0.86 0.00 0.00 177.93 180.33 1sst h SER 29 N 0.57 0.40 0.17 2.45 0.02 -0.94 0.14 113.55 116.36 1sst h SER 29 Ca 0.12 -0.30 -0.30 0.00 -0.84 0.00 0.00 61.79 60.47 1sst h SER 29 Cb 0.43 -0.11 0.03 0.00 0.14 0.00 0.00 62.40 62.90 1sst h SER 29 CO 0.02 0.60 -1.27 0.71 -1.14 0.00 0.00 176.83 175.75 1sst h THR 30 N 0.19 1.29 0.00 -2.27 1.35 -1.47 -3.44 112.91 108.57 1sst h THR 30 Ca 0.07 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 1sst h THR 30 Cb 0.39 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1sst h THR 30 CO 0.01 0.76 0.00 -0.38 -0.25 0.00 0.00 175.52 175.66 1sst n ILE 31 N -3.77 0.00 -0.24 6.82 5.41 -0.65 -4.42 119.36 122.52 1sst n ILE 31 Ca -0.14 0.11 0.29 0.00 1.00 0.00 0.00 62.75 64.01 1sst n ILE 31 Cb 1.00 -1.04 0.69 0.00 -0.71 0.00 0.00 39.64 39.58 1sst n ILE 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1sst h LEU 32 N 0.00 0.09 -0.23 1.39 3.38 -1.47 0.26 115.31 118.73 1sst h LEU 32 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sst h LEU 32 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sst h LEU 32 CO 0.00 0.03 -0.18 2.29 0.09 0.00 0.00 178.44 180.66 1sst n LYS 33 N -4.31 0.56 -3.41 1.13 2.85 0.03 -4.88 118.16 110.12 1sst n LYS 33 Ca 0.21 -0.23 -0.28 0.00 -1.05 0.00 0.00 58.31 56.96 1sst n LYS 33 Cb 1.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.85 1sst n LYS 33 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1sst s HIS 34 N -2.60 3.48 -0.13 5.58 3.76 0.92 -5.03 115.29 121.27 1sst s HIS 34 Ca 0.24 0.54 0.19 0.00 -0.15 0.00 0.00 55.06 55.88 1sst s HIS 34 Cb 0.19 -2.02 -0.18 0.00 1.11 0.00 0.00 32.58 31.68 1sst s HIS 34 CO 0.52 0.21 0.65 1.04 -0.85 0.00 0.00 174.74 176.31 1sst n GLN 35 N -1.00 0.64 -4.06 1.40 1.13 -1.26 -4.99 117.38 109.24 1sst n GLN 35 Ca -0.03 0.09 -0.12 0.00 -1.94 0.00 0.00 57.00 55.01 1sst n GLN 35 Cb 0.54 -1.71 -0.05 0.00 0.11 0.00 0.00 30.24 29.13 1sst n GLN 35 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1sst s ASN 36 N -5.45 0.40 0.20 1.08 2.20 -1.26 -5.06 114.94 107.05 1sst s ASN 36 Ca -0.05 -1.25 -0.11 0.00 -0.94 0.00 0.00 52.86 50.51 1sst s ASN 36 Cb 0.09 0.60 0.14 0.00 -2.00 0.00 0.00 41.25 40.08 1sst s ASN 36 CO 0.83 -1.19 1.86 0.25 -2.94 0.00 0.00 177.10 175.92 1sst h LEU 37 N 2.23 0.75 -0.53 3.54 5.85 -1.95 -2.31 115.31 122.90 1sst h LEU 37 Ca -0.28 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1sst h LEU 37 Cb 1.25 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1sst h LEU 37 CO 0.39 0.54 0.32 1.23 -0.34 0.00 0.00 178.44 180.58 1sst h GLY 38 N 0.89 0.74 0.84 3.75 0.00 -1.97 0.58 103.07 107.91 1sst h GLY 38 Ca 0.25 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1sst h GLY 38 CO -0.07 0.21 0.09 -1.33 0.00 0.00 0.00 176.54 175.44 1sst h GLY 39 N 0.63 0.29 0.93 4.60 0.00 -1.90 0.11 103.07 107.74 1sst h GLY 39 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1sst h GLY 39 CO -0.09 0.04 0.04 0.00 0.00 0.00 0.00 176.54 176.53 1sst h ALA 40 N 1.14 0.52 -0.26 3.60 0.00 -0.93 -1.57 119.26 121.76 1sst h ALA 40 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sst h ALA 40 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sst h ALA 40 CO -0.09 0.26 0.13 1.25 0.00 0.00 0.00 179.25 180.79 1sst h LEU 41 N 0.50 0.34 -0.78 0.00 5.85 0.40 -0.86 115.31 120.77 1sst h LEU 41 Ca 0.12 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1sst h LEU 41 Cb 0.41 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1sst h LEU 41 CO 0.01 0.37 -0.14 0.77 -0.34 0.00 0.00 178.44 179.11 1sst h SER 42 N 0.29 0.77 -0.25 1.25 4.64 -0.77 0.10 113.55 119.58 1sst h SER 42 Ca 0.09 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1sst h SER 42 Cb 0.12 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1sst h SER 42 CO -0.01 0.92 0.14 0.22 -0.87 0.00 0.00 176.83 177.23 1sst h TYR 43 N 0.69 0.35 -0.10 4.77 5.03 -1.13 -0.13 116.97 126.45 1sst h TYR 43 Ca 0.11 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1sst h TYR 43 Cb 0.63 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.80 1sst h TYR 43 CO 0.03 0.30 0.05 -0.07 -1.32 0.00 0.00 178.16 177.15 1sst h LEU 44 N 0.29 0.12 -0.47 2.82 3.38 -0.78 -2.50 115.31 118.18 1sst h LEU 44 Ca 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1sst h LEU 44 Cb 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1sst h LEU 44 CO -0.01 0.15 -0.00 -0.07 0.09 0.00 0.00 178.44 178.59 1sst h LEU 45 N 0.08 0.81 -0.31 1.67 3.38 -0.70 -1.85 115.31 118.39 1sst h LEU 45 Ca 0.03 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1sst h LEU 45 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1sst h LEU 45 CO -0.01 0.92 0.11 0.00 0.09 0.00 0.00 178.44 179.56 1sst h ALA 46 N 0.92 0.36 -0.76 1.53 0.00 -0.97 -1.16 119.26 119.17 1sst h ALA 46 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sst h ALA 46 Cb 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1sst h ALA 46 CO 0.02 -0.29 0.41 -0.91 0.00 0.00 0.00 179.25 178.48 1sst h ASN 47 N 0.24 0.95 0.12 0.00 2.35 -1.37 -1.16 115.58 116.71 1sst h ASN 47 Ca 0.14 -0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1sst h ASN 47 Cb 0.11 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1sst h ASN 47 CO -0.15 0.78 -0.62 0.11 -1.65 0.00 0.00 177.43 175.90 1sst h LYS 48 N 1.05 0.49 -0.00 0.81 1.57 -0.96 -3.16 116.57 116.37 1sst h LYS 48 Ca 0.26 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sst h LYS 48 Cb 0.05 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1sst h LYS 48 CO -0.04 0.96 -0.29 1.28 -0.57 0.00 0.00 179.45 180.79 1sst n LEU 49 N -3.91 0.45 -4.72 2.94 4.77 -0.47 -4.84 117.00 111.22 1sst n LEU 49 Ca -0.04 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.66 1sst n LEU 49 Cb 0.65 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1sst n LEU 49 CO 0.47 0.10 0.87 0.00 -1.33 0.00 0.00 177.39 177.51 1sst n ALA 50 N -1.31 0.95 -3.42 -1.18 0.00 -0.44 -5.01 120.51 110.10 1sst n ALA 50 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1sst n ALA 50 Cb 0.33 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 1sst n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sst s ASN 51 N -1.48 -0.09 0.29 0.00 2.20 -1.08 -4.97 114.94 109.81 1sst s ASN 51 Ca 0.81 -0.87 0.04 0.00 -0.94 0.00 0.00 52.86 51.90 1sst s ASN 51 Cb -0.37 0.65 0.66 0.00 -2.00 0.00 0.00 41.25 40.19 1sst s ASN 51 CO 0.42 -1.25 1.80 -0.65 -2.94 0.00 0.00 177.10 174.48 1sst h PRO 52 N 2.15 0.83 0.03 3.55 0.11 -2.00 -2.97 132.00 133.71 1sst h PRO 52 Ca -0.24 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.65 1sst h PRO 52 Cb 1.25 -0.19 0.02 0.00 0.11 0.00 0.00 31.00 32.19 1sst h PRO 52 CO 0.32 0.55 -0.68 0.82 -0.21 0.00 0.00 178.00 178.79 1sst h ILE 53 N 0.85 1.43 -3.44 4.15 2.04 -2.01 -3.40 117.51 117.15 1sst h ILE 53 Ca 0.54 -2.19 -0.65 0.00 1.00 0.00 0.00 64.86 63.57 1sst h ILE 53 Cb 0.73 2.71 -0.40 0.00 -0.74 0.00 0.00 36.82 39.12 1sst h ILE 53 CO -0.34 0.64 -0.60 -0.04 0.00 0.00 0.00 178.15 177.80 1sst s MET 54 N -3.05 2.00 1.04 2.37 -1.94 -1.13 -5.11 119.30 113.48 1sst s MET 54 Ca -0.13 -2.53 -0.12 0.00 -1.71 0.00 0.00 55.69 51.20 1sst s MET 54 Cb 0.03 -3.36 0.20 0.00 2.01 0.00 0.00 34.83 33.71 1sst s MET 54 CO 0.83 -1.10 0.98 -2.30 -0.01 0.00 0.00 175.02 173.42 1sst n PRO 55 N 3.29 -1.38 -0.05 2.03 -0.02 -1.16 -2.62 135.00 135.09 1sst n PRO 55 Ca 0.05 -0.36 0.16 0.00 -2.02 0.00 0.00 63.50 61.33 1sst n PRO 55 Cb 0.34 -2.22 0.58 0.00 -0.02 0.00 0.00 33.50 32.19 1sst n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sst h ALA 56 N -2.23 2.23 -0.48 3.55 0.00 -1.85 -1.10 119.26 119.37 1sst h ALA 56 Ca -0.52 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 1sst h ALA 56 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1sst h ALA 56 CO 0.44 -0.37 -0.14 0.97 0.00 0.00 0.00 179.25 180.14 1sst h ILE 57 N 0.23 1.27 -0.16 0.00 2.10 -1.90 -1.71 117.51 117.33 1sst h ILE 57 Ca 0.27 -1.29 -0.21 0.00 1.08 0.00 0.00 64.86 64.72 1sst h ILE 57 Cb 0.76 1.10 0.01 0.00 -1.09 0.00 0.00 36.82 37.61 1sst h ILE 57 CO -0.05 0.44 -0.71 0.28 -1.08 0.00 0.00 178.15 177.03 1sst h SER 58 N 0.79 0.90 -0.83 2.19 0.02 -1.58 -3.00 113.55 112.04 1sst h SER 58 Ca 0.12 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1sst h SER 58 Cb 0.71 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 1sst h SER 58 CO 0.05 1.37 0.49 -0.07 -1.14 0.00 0.00 176.83 177.53 1sst h LEU 59 N 0.49 1.02 -1.20 5.07 3.38 -1.23 -2.70 115.31 120.14 1sst h LEU 59 Ca -0.04 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1sst h LEU 59 Cb 1.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1sst h LEU 59 CO 0.15 0.80 0.02 -0.09 0.09 0.00 0.00 178.44 179.40 1sst h ARG 60 N 1.16 0.57 -0.76 1.13 2.43 -1.29 -1.84 114.38 115.78 1sst h ARG 60 Ca 0.30 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1sst h ARG 60 Cb -0.02 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 1sst h ARG 60 CO -0.05 0.58 0.48 1.49 -1.51 0.00 0.00 179.97 180.96 1sst h GLU 61 N 0.54 0.91 -0.17 0.20 4.81 -1.33 0.27 114.58 119.80 1sst h GLU 61 Ca 0.12 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1sst h GLU 61 Cb 0.33 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1sst h GLU 61 CO 0.01 0.60 0.05 0.82 -0.73 0.00 0.00 179.01 179.76 1sst h ILE 62 N 0.93 1.19 -0.69 2.32 2.04 -1.30 -2.67 117.51 119.34 1sst h ILE 62 Ca 0.31 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1sst h ILE 62 Cb 0.02 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1sst h ILE 62 CO -0.11 0.18 0.13 0.40 0.00 0.00 0.00 178.15 178.75 1sst h ILE 63 N 0.10 1.26 -0.29 -0.67 2.04 -1.12 -2.62 117.51 116.21 1sst h ILE 63 Ca 0.06 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 1sst h ILE 63 Cb 0.24 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1sst h ILE 63 CO -0.00 0.39 -0.19 -0.33 0.00 0.00 0.00 178.15 178.01 1sst h GLU 64 N 1.06 0.54 -0.52 2.37 5.08 -0.94 -1.17 114.58 121.00 1sst h GLU 64 Ca 0.21 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1sst h GLU 64 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1sst h GLU 64 CO 0.01 0.71 0.10 0.93 -1.00 0.00 0.00 179.01 179.76 1sst h GLU 65 N 0.48 0.86 -0.14 2.33 4.39 -1.29 0.10 114.58 121.31 1sst h GLU 65 Ca 0.08 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1sst h GLU 65 Cb 0.61 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1sst h GLU 65 CO 0.04 0.83 0.07 0.00 -1.16 0.00 0.00 179.01 178.80 1sst h ALA 66 N 0.99 0.19 -0.25 3.43 0.00 -1.19 0.11 119.26 122.54 1sst h ALA 66 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sst h ALA 66 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sst h ALA 66 CO 0.01 -0.27 -0.01 1.88 0.00 0.00 0.00 179.25 180.86 1sst h TYR 67 N 0.12 0.38 -0.30 0.00 0.99 -1.01 0.67 116.97 117.83 1sst h TYR 67 Ca 0.05 -0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.57 1sst h TYR 67 Cb 0.09 -0.11 -0.00 0.00 1.00 0.00 0.00 36.73 37.71 1sst h TYR 67 CO -0.03 0.39 -0.51 0.37 -0.00 0.00 0.00 178.16 178.38 1sst h GLN 68 N 0.36 0.87 0.00 4.88 4.15 -0.35 -2.12 115.11 122.91 1sst h GLN 68 Ca 0.08 -0.54 -0.12 0.00 0.77 0.00 0.00 58.65 58.85 1sst h GLN 68 Cb 0.26 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1sst h GLN 68 CO 0.01 1.17 -0.56 0.77 -1.93 0.00 0.00 178.83 178.29 1sst h SER 69 N 0.66 0.00 -1.84 -0.69 0.02 -0.34 -3.39 113.55 107.96 1sst h SER 69 Ca 0.02 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.57 1sst h SER 69 Cb 1.11 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.36 1sst h SER 69 CO 0.11 0.56 -0.76 0.21 -1.14 0.00 0.00 176.83 175.81 1sst s ASN 70 N -6.55 0.45 0.58 3.07 3.84 0.19 -5.00 114.94 111.52 1sst s ASN 70 Ca 0.01 -2.33 0.28 0.00 0.21 0.00 0.00 52.86 51.03 1sst s ASN 70 Cb 0.10 0.52 1.60 0.00 -0.55 0.00 0.00 41.25 42.92 1sst s ASN 70 CO 0.74 -0.15 2.09 -0.65 -2.79 0.00 0.00 177.10 176.33 1sst h PRO 71 N 5.74 0.00 0.00 0.43 0.11 -1.60 -2.11 132.00 134.58 1sst h PRO 71 Ca 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1sst h PRO 71 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1sst h PRO 71 CO 0.22 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 178.66 1sst h SER 72 N 0.00 0.00 -0.86 -2.05 4.64 -1.95 -1.50 113.55 111.84 1sst h SER 72 Ca 0.10 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.52 1sst h SER 72 Cb 0.54 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 1sst h SER 72 CO -0.00 0.01 0.50 0.40 -0.87 0.00 0.00 176.83 176.87 1sst h ILE 73 N 0.00 0.92 -0.58 0.95 2.04 -1.74 -0.44 117.51 118.67 1sst h ILE 73 Ca -0.00 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1sst h ILE 73 Cb 0.06 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 1sst h ILE 73 CO 0.00 0.15 0.24 0.40 0.00 0.00 0.00 178.15 178.94 1sst h ILE 74 N 0.84 1.22 -0.94 -0.67 2.04 -1.50 -2.50 117.51 116.00 1sst h ILE 74 Ca 0.41 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.66 1sst h ILE 74 Cb 0.37 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1sst h ILE 74 CO -0.24 0.26 0.61 0.44 0.00 0.00 0.00 178.15 179.22 1sst h ASP 75 N 0.79 0.94 -0.50 1.72 3.32 -1.12 0.15 116.42 121.71 1sst h ASP 75 Ca 0.19 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.30 1sst h ASP 75 Cb 0.18 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1sst h ASP 75 CO -0.02 0.60 0.34 0.00 -1.72 0.00 0.00 179.24 178.43 1sst h ALA 77 N 1.72 0.14 -1.00 0.00 0.00 -0.56 -1.05 119.26 118.51 1sst h ALA 77 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1sst h ALA 77 Cb 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1sst h ALA 77 CO -0.06 -0.14 0.65 0.00 0.00 0.00 0.00 179.25 179.70 1sst h ALA 78 N 0.70 1.38 0.00 0.00 0.00 -0.84 0.15 119.26 120.65 1sst h ALA 78 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1sst h ALA 78 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sst h ALA 78 CO 0.01 0.49 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 1sst h ASP 80 N 0.00 0.52 -0.54 0.00 3.32 0.51 -2.65 116.42 117.58 1sst h ASP 80 Ca -0.00 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 1sst h ASP 80 Cb 0.52 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1sst h ASP 80 CO 0.03 1.39 0.22 0.40 -1.72 0.00 0.00 179.24 179.56 1sst h ILE 81 N 0.12 1.22 0.19 0.35 2.04 -0.63 -2.55 117.51 118.24 1sst h ILE 81 Ca -0.14 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1sst h ILE 81 Cb 1.93 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1sst h ILE 81 CO 0.21 0.26 -0.14 -0.61 0.00 0.00 0.00 178.15 177.87 1sst h GLN 82 N 0.74 -0.32 -0.28 2.37 4.15 -1.47 -0.99 115.11 119.31 1sst h GLN 82 Ca 0.18 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.69 1sst h GLN 82 Cb 0.19 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.88 1sst h GLN 82 CO -0.02 -0.21 -0.16 0.00 -1.93 0.00 0.00 178.83 176.51 1sst h ALA 83 N 0.46 0.06 -0.75 3.38 0.00 -1.33 -1.12 119.26 119.96 1sst h ALA 83 Ca -0.01 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1sst h ALA 83 Cb 0.29 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1sst h ALA 83 CO -0.00 -0.56 0.29 0.28 0.00 0.00 0.00 179.25 179.25 1sst h VAL 84 N -0.12 1.26 -0.61 0.00 2.07 -1.37 0.15 116.25 117.62 1sst h VAL 84 Ca 0.15 -0.82 0.12 0.00 0.82 0.00 0.00 66.70 66.97 1sst h VAL 84 Cb 0.35 0.39 -0.12 0.00 -1.52 0.00 0.00 31.29 30.39 1sst h VAL 84 CO -0.36 0.33 -0.18 -0.09 0.02 0.00 0.00 177.57 177.29 1sst h ARG 85 N 1.09 -0.03 -0.01 1.57 2.43 0.09 -0.98 114.38 118.53 1sst h ARG 85 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1sst h ARG 85 Cb 0.23 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1sst h ARG 85 CO -0.02 -0.02 -0.30 -2.39 -1.51 0.00 0.00 179.97 175.74 1sst n HIS 86 N -5.43 0.00 1.54 2.20 1.44 -0.92 -4.18 115.22 109.87 1sst n HIS 86 Ca 0.07 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.91 1sst n HIS 86 Cb 0.33 0.00 0.56 0.00 0.12 0.00 0.00 29.99 31.00 1sst n HIS 86 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1sst n ARG 87 N -0.19 1.55 -3.90 -1.40 1.74 0.50 -4.63 116.66 110.34 1sst n ARG 87 Ca 0.06 -0.81 -0.30 0.00 -0.77 0.00 0.00 57.85 56.02 1sst n ARG 87 Cb 0.29 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.12 1sst n ARG 87 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sst s ASP 88 N -1.91 3.95 0.15 0.55 -1.08 -0.39 -5.00 116.67 112.94 1sst s ASP 88 Ca 0.38 -1.38 -0.29 0.00 -0.52 0.00 0.00 52.55 50.74 1sst s ASP 88 Cb 0.20 -1.15 -0.07 0.00 -1.46 0.00 0.00 42.92 40.45 1sst s ASP 88 CO 0.32 -0.29 1.47 -2.65 0.52 0.00 0.00 175.17 174.54 1sst n PRO 89 N 4.67 -0.41 -0.06 4.34 -0.02 -1.26 -1.71 135.00 140.55 1sst n PRO 89 Ca -0.08 1.45 0.02 0.00 -2.02 0.00 0.00 63.50 62.86 1sst n PRO 89 Cb 0.44 -2.13 0.33 0.00 -0.02 0.00 0.00 33.50 32.12 1sst n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sst h ALA 90 N 0.44 1.52 -1.71 3.55 0.00 -1.96 -3.41 119.26 117.69 1sst h ALA 90 Ca 0.15 -0.09 -0.56 0.00 0.00 0.00 0.00 54.91 54.41 1sst h ALA 90 Cb 0.39 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1sst h ALA 90 CO -0.88 0.39 1.07 0.08 0.00 0.00 0.00 179.25 179.91 1sst s VAL 91 N -5.42 3.89 -0.03 0.00 1.01 -0.69 -4.73 120.40 114.43 1sst s VAL 91 Ca -0.09 0.86 0.09 0.00 0.00 0.00 0.00 61.98 62.85 1sst s VAL 91 Cb 0.17 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 1sst s VAL 91 CO 0.76 -0.92 0.17 -0.62 0.00 0.00 0.00 175.10 174.49 1sst n GLU 92 N 8.26 0.80 -3.35 2.72 1.02 -1.26 -4.60 120.64 124.22 1sst n GLU 92 Ca 0.15 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.84 1sst n GLU 92 Cb 0.49 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 1sst n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sst s LEU 93 N -3.90 4.44 0.35 -4.62 1.43 -1.26 -4.95 118.68 110.18 1sst s LEU 93 Ca -0.04 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.19 1sst s LEU 93 Cb 0.05 -2.75 0.67 0.00 0.03 0.00 0.00 46.19 44.20 1sst s LEU 93 CO 0.39 0.21 1.84 -0.50 0.23 0.00 0.00 176.35 178.53 1sst h TRP 94 N 5.21 0.26 0.00 0.29 4.06 -1.93 -2.82 115.95 121.03 1sst h TRP 94 Ca -0.48 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.43 1sst h TRP 94 Cb 1.21 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1sst h TRP 94 CO 0.67 0.46 0.00 0.66 -3.56 0.00 0.00 178.44 176.67 1sst h SER 95 N 0.22 0.00 -0.38 -3.49 4.64 -1.91 -3.35 113.55 109.28 1sst h SER 95 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1sst h SER 95 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1sst h SER 95 CO 0.04 0.00 0.22 0.74 -0.87 0.00 0.00 176.83 176.96 1sst h THR 96 N 0.00 1.14 -0.37 2.95 2.02 -1.91 -0.81 112.91 115.94 1sst h THR 96 Ca 0.00 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1sst h THR 96 Cb 0.68 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1sst h THR 96 CO 0.00 0.14 -0.02 -0.65 0.37 0.00 0.00 175.52 175.36 1sst h PRO 97 N 0.50 0.66 -0.30 6.66 0.11 -1.76 -0.97 132.00 136.90 1sst h PRO 97 Ca 0.14 -0.22 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1sst h PRO 97 Cb 0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1sst h PRO 97 CO -0.02 0.77 0.15 1.25 -0.21 0.00 0.00 178.00 179.94 1sst h LEU 98 N 0.47 0.23 0.18 2.35 5.85 -1.70 -3.12 115.31 119.57 1sst h LEU 98 Ca 0.10 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.59 1sst h LEU 98 Cb 0.49 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.51 1sst h LEU 98 CO 0.02 0.17 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.17 1sst h LEU 99 N 0.32 0.59 0.00 2.25 3.38 -1.14 -3.44 115.31 117.27 1sst h LEU 99 Ca 0.12 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 57.14 1sst h LEU 99 Cb 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sst h LEU 99 CO -0.08 1.51 -1.22 -1.22 0.09 0.00 0.00 178.44 177.52 1sst n TYR 100 N -3.98 0.00 -2.74 1.13 4.02 -0.37 -4.99 117.16 110.22 1sst n TYR 100 Ca -0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.31 1sst n TYR 100 Cb 0.92 -0.12 -0.03 0.00 -0.02 0.00 0.00 39.34 40.09 1sst n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1sst s LEU 101 N -3.40 3.90 0.54 7.72 1.43 -1.18 -4.91 118.68 122.80 1sst s LEU 101 Ca -0.02 0.45 0.30 0.00 -1.03 0.00 0.00 54.13 53.83 1sst s LEU 101 Cb 0.03 -3.34 1.56 0.00 0.03 0.00 0.00 46.19 44.47 1sst s LEU 101 CO 0.19 -1.02 2.10 0.07 0.23 0.00 0.00 176.35 177.93 1sst h LYS 102 N 8.81 0.00 -0.35 1.70 2.10 -1.89 -1.28 116.57 125.66 1sst h LYS 102 Ca -0.23 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.25 1sst h LYS 102 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1sst h LYS 102 CO 1.04 0.09 -0.44 0.78 -2.00 0.00 0.00 179.45 178.91 1sst h GLY 103 N 0.83 1.01 0.91 0.07 0.00 -1.82 0.13 103.07 104.20 1sst h GLY 103 Ca -0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.24 1sst h GLY 103 CO 0.01 0.97 0.11 -2.75 0.00 0.00 0.00 176.54 174.88 1sst h PHE 104 N 0.74 0.41 -0.91 5.60 3.57 -1.47 -0.19 116.94 124.69 1sst h PHE 104 Ca 0.05 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1sst h PHE 104 Cb 1.04 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1sst h PHE 104 CO 0.07 0.41 0.51 0.45 -2.23 0.00 0.00 178.31 177.52 1sst h HIS 105 N 0.29 1.23 -0.56 0.41 3.86 -1.24 -1.36 115.15 117.78 1sst h HIS 105 Ca 0.09 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1sst h HIS 105 Cb 0.18 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1sst h HIS 105 CO -0.01 0.84 0.29 0.00 0.86 0.00 0.00 177.93 179.92 1sst h ALA 106 N 1.29 0.72 0.14 2.45 0.00 -0.29 -0.40 119.26 123.17 1sst h ALA 106 Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sst h ALA 106 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1sst h ALA 106 CO -0.05 0.26 -0.07 0.82 0.00 0.00 0.00 179.25 180.21 1sst h ILE 107 N 0.76 1.00 -0.88 0.00 2.04 -0.56 -0.22 117.51 119.65 1sst h ILE 107 Ca 0.20 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.51 1sst h ILE 107 Cb 0.08 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1sst h ILE 107 CO -0.03 0.14 0.57 1.56 0.00 0.00 0.00 178.15 180.40 1sst h GLN 108 N -0.48 0.95 -0.33 2.37 1.08 -1.18 -0.12 115.11 117.39 1sst h GLN 108 Ca -0.02 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1sst h GLN 108 Cb 0.38 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1sst h GLN 108 CO 0.03 0.63 0.10 0.77 -0.95 0.00 0.00 178.83 179.41 1sst h SER 109 N 0.98 0.49 -0.75 1.46 0.02 -0.86 -2.68 113.55 112.20 1sst h SER 109 Ca 0.38 -0.21 0.11 0.00 -0.84 0.00 0.00 61.79 61.23 1sst h SER 109 Cb 0.22 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 1sst h SER 109 CO -0.14 0.57 0.38 0.22 -1.14 0.00 0.00 176.83 176.71 1sst h TYR 110 N 0.39 0.67 -0.50 3.45 3.20 0.50 -0.73 116.97 123.95 1sst h TYR 110 Ca 0.11 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.07 1sst h TYR 110 Cb 0.26 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1sst h TYR 110 CO 0.01 0.22 0.33 0.00 -1.64 0.00 0.00 178.16 177.08 1sst h ARG 111 N 0.61 0.39 -0.20 1.82 3.08 -0.75 0.62 114.38 119.94 1sst h ARG 111 Ca 0.38 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 1sst h ARG 111 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1sst h ARG 111 CO -0.30 0.26 -0.01 0.82 -1.07 0.00 0.00 179.97 179.67 1sst h ILE 112 N 0.40 1.26 -0.01 2.04 2.04 -0.99 -2.33 117.51 119.93 1sst h ILE 112 Ca 0.22 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1sst h ILE 112 Cb 0.35 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1sst h ILE 112 CO -0.06 0.28 -0.29 0.71 0.00 0.00 0.00 178.15 178.79 1sst h THR 113 N 0.12 1.21 -0.23 -0.27 1.35 -0.76 -1.52 112.91 112.81 1sst h THR 113 Ca 0.06 -1.00 -0.09 0.00 -0.55 0.00 0.00 66.41 64.83 1sst h THR 113 Cb 0.42 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1sst h THR 113 CO 0.01 0.29 -0.20 -0.74 -0.25 0.00 0.00 175.52 174.63 1sst h HIS 114 N 0.01 0.65 -0.40 4.73 -0.00 -0.81 0.36 115.15 119.69 1sst h HIS 114 Ca -0.00 -0.19 0.01 0.00 -0.00 0.00 0.00 60.37 60.19 1sst h HIS 114 Cb 0.52 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1sst h HIS 114 CO 0.00 0.87 0.25 -0.92 -0.00 0.00 0.00 177.93 178.13 1sst h TYR 115 N 0.24 0.47 -0.62 5.26 3.20 -1.22 -1.20 116.97 123.12 1sst h TYR 115 Ca 0.04 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1sst h TYR 115 Cb 0.74 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1sst h TYR 115 CO 0.07 0.29 0.24 -0.07 -1.64 0.00 0.00 178.16 177.05 1sst h LEU 116 N 0.51 0.86 -1.48 2.82 3.38 -1.00 -2.04 115.31 118.35 1sst h LEU 116 Ca 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sst h LEU 116 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1sst h LEU 116 CO -0.05 0.80 0.03 -0.25 0.09 0.00 0.00 178.44 179.06 1sst h TRP 117 N 0.86 0.36 0.00 1.13 2.91 0.08 -0.20 115.95 121.10 1sst h TRP 117 Ca 0.20 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.20 1sst h TRP 117 Cb 0.22 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1sst h TRP 117 CO 0.01 0.35 -0.01 -0.91 -1.03 0.00 0.00 178.44 176.86 1sst h ASN 118 N 0.36 0.00 -0.27 2.65 2.35 -0.65 -2.74 115.58 117.27 1sst h ASN 118 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1sst h ASN 118 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1sst h ASN 118 CO 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1sst n GLN 119 N -3.10 1.89 -2.69 0.81 6.02 -0.23 -4.90 117.38 115.18 1sst n GLN 119 Ca 0.02 -1.36 -0.18 0.00 -0.01 0.00 0.00 57.00 55.48 1sst n GLN 119 Cb 0.39 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.29 1sst n GLN 119 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1sst n ASN 120 N 0.58 -5.18 -3.64 1.08 5.15 -1.03 -4.93 115.26 107.29 1sst n ASN 120 Ca 0.16 -0.16 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 1sst n ASN 120 Cb 0.37 -4.11 -0.01 0.00 -0.53 0.00 0.00 39.78 35.50 1sst n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1sst n ARG 121 N -3.14 4.42 -0.09 1.20 1.74 -0.36 -4.85 116.66 115.58 1sst n ARG 121 Ca -0.13 -4.66 -0.06 0.00 -0.77 0.00 0.00 57.85 52.23 1sst n ARG 121 Cb 0.62 -2.42 0.13 0.00 -1.02 0.00 0.00 32.46 29.76 1sst n ARG 121 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1sst h LYS 122 N 4.46 0.77 -0.62 5.56 1.57 -1.87 -1.43 116.57 125.00 1sst h LYS 122 Ca 0.32 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1sst h LYS 122 Cb 0.49 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1sst h LYS 122 CO 1.14 0.85 0.25 0.66 -0.57 0.00 0.00 179.45 181.78 1sst h SER 123 N 0.70 0.85 -0.14 0.86 4.64 -1.97 0.21 113.55 118.70 1sst h SER 123 Ca 0.12 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 1sst h SER 123 Cb 0.59 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1sst h SER 123 CO 0.04 0.79 -0.21 0.25 -0.87 0.00 0.00 176.83 176.83 1sst h LEU 124 N 0.86 0.56 -0.52 5.97 5.85 -1.92 -1.04 115.31 125.08 1sst h LEU 124 Ca 0.21 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1sst h LEU 124 Cb 0.20 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1sst h LEU 124 CO -0.02 0.78 -0.41 0.00 -0.34 0.00 0.00 178.44 178.45 1sst h ALA 125 N 1.27 0.70 -0.14 1.25 0.00 -0.59 -2.18 119.26 119.57 1sst h ALA 125 Ca 0.08 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 1sst h ALA 125 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sst h ALA 125 CO 0.05 0.67 -0.63 -0.07 0.00 0.00 0.00 179.25 179.27 1sst h LEU 126 N 0.61 0.58 -0.20 0.00 3.38 -0.38 -0.38 115.31 118.92 1sst h LEU 126 Ca 0.05 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1sst h LEU 126 Cb 0.96 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1sst h LEU 126 CO 0.09 1.06 0.11 0.22 0.09 0.00 0.00 178.44 180.01 1sst h TYR 127 N 0.38 0.28 -0.20 1.13 3.20 -1.05 -2.33 116.97 118.38 1sst h TYR 127 Ca -0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1sst h TYR 127 Cb 1.18 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1sst h TYR 127 CO 0.05 0.27 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.71 1sst h LEU 128 N 0.21 0.41 -0.68 2.82 3.38 -1.32 -1.80 115.31 118.33 1sst h LEU 128 Ca 0.07 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 57.79 1sst h LEU 128 Cb 0.08 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.59 1sst h LEU 128 CO -0.01 0.69 -0.20 -0.61 0.09 0.00 0.00 178.44 178.40 1sst h GLN 129 N 0.11 -0.03 0.00 1.13 4.15 -0.99 0.32 115.11 119.81 1sst h GLN 129 Ca 0.05 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 1sst h GLN 129 Cb 0.52 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1sst h GLN 129 CO 0.02 -0.02 -0.67 -0.91 -1.93 0.00 0.00 178.83 175.33 1sst h ASN 130 N -0.03 0.00 0.49 -0.69 2.35 -1.30 -1.98 115.58 114.41 1sst h ASN 130 Ca 0.32 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.93 1sst h ASN 130 Cb 0.52 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1sst h ASN 130 CO -0.71 0.67 -0.60 -0.61 -1.65 0.00 0.00 177.43 174.52 1sst h GLN 131 N 0.00 0.11 -0.79 0.81 5.75 -0.31 -1.43 115.11 119.25 1sst h GLN 131 Ca -0.01 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1sst h GLN 131 Cb 1.22 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.75 1sst h GLN 131 CO 0.09 0.68 0.44 0.82 -2.65 0.00 0.00 178.83 178.21 1sst h ILE 132 N 0.08 1.23 -0.50 2.39 2.04 0.06 0.17 117.51 122.98 1sst h ILE 132 Ca -0.01 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 1sst h ILE 132 Cb 1.08 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1sst h ILE 132 CO 0.09 0.26 0.03 -1.28 0.00 0.00 0.00 178.15 177.24 1sst h SER 133 N 1.09 0.77 -0.05 1.72 0.87 -0.90 0.06 113.55 117.10 1sst h SER 133 Ca 0.28 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1sst h SER 133 Cb 0.02 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1sst h SER 133 CO -0.05 0.82 -0.08 0.58 -0.53 0.00 0.00 176.83 177.58 1sst h VAL 134 N 0.76 1.40 -0.20 2.23 2.07 -0.72 0.31 116.25 122.10 1sst h VAL 134 Ca 0.15 -1.32 -0.14 0.00 0.82 0.00 0.00 66.70 66.22 1sst h VAL 134 Cb 0.42 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1sst h VAL 134 CO 0.02 0.36 -0.41 0.00 0.02 0.00 0.00 177.57 177.56 1sst h ALA 135 N 0.51 0.32 0.00 1.67 0.00 -0.90 -3.37 119.26 117.48 1sst h ALA 135 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sst h ALA 135 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sst h ALA 135 CO 0.02 0.42 -0.65 1.19 0.00 0.00 0.00 179.25 180.23 1sst n PHE 136 N -4.24 0.00 -2.81 0.00 0.99 -0.00 -5.00 117.46 106.40 1sst n PHE 136 Ca -0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.23 1sst n PHE 136 Cb 0.54 -0.02 0.03 0.00 -1.00 0.00 0.00 39.48 39.03 1sst n PHE 136 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1sst n ASP 137 N -1.33 -4.89 -4.08 4.37 4.64 0.10 -4.63 116.55 110.72 1sst n ASP 137 Ca 0.02 -0.21 -0.28 0.00 -1.38 0.00 0.00 54.79 52.94 1sst n ASP 137 Cb 0.20 -3.74 -0.17 0.00 -1.04 0.00 0.00 41.12 36.37 1sst n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1sst s VAL 138 N -3.00 1.49 -0.39 5.18 1.01 -1.25 -1.66 120.40 121.78 1sst s VAL 138 Ca 0.22 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1sst s VAL 138 Cb -0.10 -1.33 0.11 0.00 0.00 0.00 0.00 36.38 35.06 1sst s VAL 138 CO 0.28 0.43 0.11 -0.62 0.00 0.00 0.00 175.10 175.30 1sst s ASP 139 N 0.69 4.62 -0.25 3.32 3.68 -0.69 -2.55 116.67 125.49 1sst s ASP 139 Ca -0.13 -2.37 -0.03 0.00 2.13 0.00 0.00 52.55 52.15 1sst s ASP 139 Cb -0.16 -1.60 0.02 0.00 -1.45 0.00 0.00 42.92 39.72 1sst s ASP 139 CO 0.03 -0.34 -0.04 -0.63 0.13 0.00 0.00 175.17 174.33 1sst s ILE 140 N 0.61 3.15 0.18 4.11 1.01 -1.26 -0.75 121.20 128.26 1sst s ILE 140 Ca 0.13 -0.84 -0.32 0.00 0.00 0.00 0.00 60.65 59.61 1sst s ILE 140 Cb -0.21 -2.56 -0.11 0.00 0.01 0.00 0.00 42.46 39.59 1sst s ILE 140 CO -0.06 0.24 1.64 -2.28 0.00 0.00 0.00 174.94 174.48 1sst s HIS 141 N 1.39 2.96 0.59 3.97 5.65 -0.53 -4.84 115.29 124.47 1sst s HIS 141 Ca 0.02 0.48 0.30 0.00 0.25 0.00 0.00 55.06 56.11 1sst s HIS 141 Cb -0.16 -4.03 1.36 0.00 -1.18 0.00 0.00 32.58 28.57 1sst s HIS 141 CO -0.03 -3.86 1.73 -1.35 -0.65 0.00 0.00 174.74 170.57 1sst h PRO 142 N 6.88 0.00 0.00 2.88 0.11 -1.89 0.69 132.00 140.68 1sst h PRO 142 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sst h PRO 142 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sst h PRO 142 CO 0.93 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.58 1sst n ALA 143 N -2.39 2.51 -1.31 -0.75 0.00 -1.26 -4.11 120.51 113.19 1sst n ALA 143 Ca 0.15 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1sst n ALA 143 Cb 1.00 -1.39 0.11 0.00 0.00 0.00 0.00 19.45 19.16 1sst n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sst n ALA 144 N -1.68 0.37 -3.16 0.00 0.00 0.23 -4.80 120.51 111.46 1sst n ALA 144 Ca 0.06 -0.22 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 1sst n ALA 144 Cb 0.40 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.45 1sst n ALA 144 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sst s LYS 145 N -3.86 3.58 -0.03 0.00 -0.14 0.24 -4.98 119.74 114.55 1sst s LYS 145 Ca 0.77 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.85 1sst s LYS 145 Cb -0.32 -3.10 0.02 0.00 -1.68 0.00 0.00 37.83 32.75 1sst s LYS 145 CO 0.47 -0.06 -0.02 0.42 -0.76 0.00 0.00 175.35 175.40 1sst s ILE 146 N 1.18 0.35 0.00 2.17 1.01 -1.25 0.93 121.20 125.59 1sst s ILE 146 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1sst s ILE 146 Cb -0.14 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1sst s ILE 146 CO 0.01 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1sst n GLY 147 N 4.03 0.20 3.89 6.18 0.00 0.70 -4.97 105.19 115.22 1sst n GLY 147 Ca -0.26 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 1sst n GLY 147 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sst s HIS 148 N 0.50 2.25 -1.15 1.61 -3.43 -1.26 -4.55 115.29 109.26 1sst s HIS 148 Ca 0.00 -0.63 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 1sst s HIS 148 Cb 0.00 -2.08 0.00 0.00 -1.43 0.00 0.00 32.58 29.07 1sst s HIS 148 CO 0.00 -0.30 0.00 0.41 -2.00 0.00 0.00 174.74 172.85 1sst n GLY 149 N -1.66 0.76 3.77 -1.38 0.00 -1.25 -1.13 105.19 104.29 1sst n GLY 149 Ca 0.03 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1sst n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sst s ILE 150 N -2.49 4.34 -0.14 -0.61 -1.09 -1.26 -3.32 121.20 116.62 1sst s ILE 150 Ca 0.00 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 1sst s ILE 150 Cb 0.00 -4.18 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1sst s ILE 150 CO 0.00 0.50 -0.10 -0.32 -1.23 0.00 0.00 174.94 173.79 1sst s MET 151 N -1.06 1.89 -0.62 2.79 -2.45 -0.75 -4.78 119.30 114.33 1sst s MET 151 Ca 0.37 -0.48 -0.05 0.00 -1.25 0.00 0.00 55.69 54.27 1sst s MET 151 Cb -0.24 -1.96 0.16 0.00 1.25 0.00 0.00 34.83 34.05 1sst s MET 151 CO 0.27 -0.30 0.46 -0.06 1.05 0.00 0.00 175.02 176.45 1sst s PHE 152 N 1.57 3.49 -0.12 4.11 2.99 -1.26 0.50 117.98 129.26 1sst s PHE 152 Ca 0.04 -2.47 -0.29 0.00 0.00 0.00 0.00 56.93 54.20 1sst s PHE 152 Cb -0.13 -3.34 -0.01 0.00 0.00 0.00 0.00 43.02 39.54 1sst s PHE 152 CO -0.09 -0.90 1.03 0.34 -0.00 0.00 0.00 175.22 175.60 1sst s ASP 153 N 1.28 7.20 0.00 1.36 -1.08 -0.43 -4.05 116.67 120.95 1sst s ASP 153 Ca 0.15 1.54 0.00 0.00 -0.52 0.00 0.00 52.55 53.71 1sst s ASP 153 Cb -0.20 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1sst s ASP 153 CO -0.04 -0.50 0.00 1.41 0.52 0.00 0.00 175.17 176.56 1sst n HIS 154 N 5.26 0.00 0.00 -5.34 8.25 -1.26 -2.92 115.22 119.21 1sst n HIS 154 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1sst n HIS 154 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1sst n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sst n ALA 155 N 0.00 0.00 -1.66 -1.41 0.00 -1.26 -4.62 120.51 111.56 1sst n ALA 155 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 1sst n ALA 155 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1sst n ALA 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sst n THR 156 N -1.26 0.20 -0.80 0.00 -1.04 -1.26 -1.80 114.28 108.33 1sst n THR 156 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1sst n THR 156 Cb 0.00 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1sst n THR 156 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sst n GLY 157 N 3.56 0.70 3.71 3.41 0.00 -0.66 0.32 105.19 116.23 1sst n GLY 157 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1sst n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sst s ILE 158 N -2.52 3.84 -0.12 -0.61 1.01 -0.74 -4.01 121.20 118.04 1sst s ILE 158 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 60.65 61.97 1sst s ILE 158 Cb 0.00 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1sst s ILE 158 CO 0.00 0.10 -0.12 -0.69 0.00 0.00 0.00 174.94 174.23 1sst s VAL 159 N 1.10 1.32 -0.21 2.92 1.01 -0.02 -1.70 120.40 124.82 1sst s VAL 159 Ca 0.60 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1sst s VAL 159 Cb -0.31 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1sst s VAL 159 CO 0.29 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.95 1sst s VAL 160 N 1.36 2.09 0.86 2.92 1.01 0.07 -0.00 120.40 128.72 1sst s VAL 160 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 1sst s VAL 160 Cb -0.13 -2.00 0.11 0.00 0.00 0.00 0.00 36.38 34.36 1sst s VAL 160 CO -0.06 0.35 1.11 -0.83 0.00 0.00 0.00 175.10 175.68 1sst s GLY 161 N 1.23 1.67 0.43 4.51 0.00 0.17 -1.45 107.32 113.88 1sst s GLY 161 Ca 0.00 0.38 0.20 0.00 0.00 0.00 0.00 44.72 45.30 1sst s GLY 161 CO -0.10 0.79 1.85 -2.09 0.00 0.00 0.00 173.10 173.54 1sst h GLU 162 N -1.56 0.34 -0.44 2.90 4.81 -1.90 -2.34 114.58 116.41 1sst h GLU 162 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1sst h GLU 162 Cb 1.26 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1sst h GLU 162 CO 0.47 0.23 0.00 0.25 -0.73 0.00 0.00 179.01 179.23 1sst n THR 163 N -4.50 1.90 -2.12 0.32 -2.24 -1.26 -2.96 114.28 103.43 1sst n THR 163 Ca 0.20 -1.42 -0.33 0.00 -2.27 0.00 0.00 64.05 60.23 1sst n THR 163 Cb 0.76 0.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.04 1sst n THR 163 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1sst s SER 164 N -1.28 5.75 -0.05 3.42 0.01 -0.88 -4.64 113.70 116.03 1sst s SER 164 Ca 0.42 1.93 0.03 0.00 1.31 0.00 0.00 55.95 59.64 1sst s SER 164 Cb 0.30 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1sst s SER 164 CO 0.16 -1.19 -0.13 -0.69 0.41 0.00 0.00 173.24 171.80 1sst s VAL 165 N -2.23 1.18 -0.15 3.43 1.01 -0.54 -0.59 120.40 122.51 1sst s VAL 165 Ca 0.66 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1sst s VAL 165 Cb -0.18 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.20 1sst s VAL 165 CO 0.33 0.36 -0.00 -0.63 0.00 0.00 0.00 175.10 175.15 1sst s ILE 166 N 0.34 0.69 0.92 2.22 1.01 0.26 -0.57 121.20 126.07 1sst s ILE 166 Ca -0.08 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 1sst s ILE 166 Cb -0.13 -0.99 0.19 0.00 0.01 0.00 0.00 42.46 41.54 1sst s ILE 166 CO 0.03 0.03 1.26 -1.61 0.00 0.00 0.00 174.94 174.64 1sst s GLU 167 N 1.81 0.79 0.67 2.79 2.02 -0.01 -0.21 118.70 126.55 1sst s GLU 167 Ca 0.01 -0.60 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 1sst s GLU 167 Cb -0.15 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 1sst s GLU 167 CO -0.07 -2.25 1.17 0.09 0.02 0.00 0.00 175.26 174.22 1sst n ASN 168 N -3.59 1.49 -2.38 -0.19 3.02 -1.26 -3.46 115.26 108.89 1sst n ASN 168 Ca 0.16 0.78 -0.18 0.00 -0.03 0.00 0.00 54.58 55.31 1sst n ASN 168 Cb 0.60 -1.50 -0.01 0.00 -0.61 0.00 0.00 39.78 38.26 1sst n ASN 168 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1sst n ASP 169 N -1.79 -5.12 -4.83 6.41 8.00 -0.29 -1.13 116.55 117.80 1sst n ASP 169 Ca 0.15 0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.38 1sst n ASP 169 Cb 0.48 -4.30 -0.06 0.00 -0.02 0.00 0.00 41.12 37.22 1sst n ASP 169 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sst s VAL 170 N -2.86 4.69 -0.08 2.53 1.01 -1.22 -3.38 120.40 121.09 1sst s VAL 170 Ca 0.00 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1sst s VAL 170 Cb 0.00 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1sst s VAL 170 CO 0.00 0.15 -0.24 -0.44 0.00 0.00 0.00 175.10 174.57 1sst s SER 171 N -1.79 3.03 -0.06 3.32 0.01 -0.11 -1.81 113.70 116.28 1sst s SER 171 Ca 0.43 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1sst s SER 171 Cb -0.15 -1.18 0.02 0.00 0.21 0.00 0.00 66.02 64.92 1sst s SER 171 CO 0.20 0.19 -0.10 -0.63 0.41 0.00 0.00 173.24 173.31 1sst s ILE 172 N 0.17 0.95 0.60 1.44 1.01 0.18 -1.02 121.20 124.52 1sst s ILE 172 Ca -0.13 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1sst s ILE 172 Cb -0.16 -0.90 0.08 0.00 0.01 0.00 0.00 42.46 41.49 1sst s ILE 172 CO 0.07 0.32 0.83 -0.76 0.00 0.00 0.00 174.94 175.39 1sst s LEU 173 N 0.80 3.18 0.67 2.97 1.43 -1.10 -1.32 118.68 125.31 1sst s LEU 173 Ca -0.12 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 1sst s LEU 173 Cb -0.15 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1sst s LEU 173 CO 0.02 -1.39 0.60 0.00 0.23 0.00 0.00 176.35 175.80 1sst n GLN 174 N -2.42 0.43 -0.91 1.70 0.00 -1.15 -3.33 117.38 111.70 1sst n GLN 174 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 57.00 57.31 1sst n GLN 174 Cb 0.60 -1.85 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1sst n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sst n GLY 175 N 1.62 0.32 3.74 2.61 0.00 0.15 -1.53 105.19 112.10 1sst n GLY 175 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1sst n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sst s VAL 176 N -1.80 4.67 -0.09 1.61 1.01 -1.21 -3.73 120.40 120.86 1sst s VAL 176 Ca 0.00 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1sst s VAL 176 Cb 0.00 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1sst s VAL 176 CO 0.00 0.35 -0.22 -0.89 0.00 0.00 0.00 175.10 174.34 1sst s THR 177 N -0.03 2.27 -0.27 3.92 2.01 -0.75 -0.84 115.64 121.94 1sst s THR 177 Ca 0.41 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1sst s THR 177 Cb -0.21 -1.87 0.04 0.00 0.01 0.00 0.00 72.50 70.47 1sst s THR 177 CO 0.25 0.56 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.93 1sst s LEU 178 N 0.14 3.57 0.00 4.42 1.43 1.00 -0.81 118.68 128.42 1sst s LEU 178 Ca -0.12 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 1sst s LEU 178 Cb -0.16 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1sst s LEU 178 CO 0.06 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1sst n GLY 179 N 4.60 3.99 0.00 -3.19 0.00 -0.35 -0.65 105.19 109.58 1sst n GLY 179 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1sst n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sst n GLY 180 N 0.00 3.86 0.38 -0.02 0.00 -1.20 -1.20 105.19 107.01 1sst n GLY 180 Ca 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 1sst n GLY 180 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sst h THR 181 N 0.95 0.02 0.00 2.61 1.35 -1.87 -3.42 112.91 112.55 1sst h THR 181 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1sst h THR 181 Cb 0.00 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 1sst h THR 181 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1sst n GLY 186 N -1.45 0.00 3.50 5.82 0.00 -1.26 -5.08 105.19 106.72 1sst n GLY 186 Ca 0.09 -0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 1sst n GLY 186 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sst n ASP 187 N -0.65 2.36 -0.10 1.61 10.43 -1.26 -4.69 116.55 124.24 1sst n ASP 187 Ca 0.00 0.24 0.01 0.00 2.57 0.00 0.00 54.79 57.61 1sst n ASP 187 Cb 0.00 -1.36 0.01 0.00 1.84 0.00 0.00 41.12 41.61 1sst n ASP 187 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 1sst n ARG 188 N 8.45 0.59 -4.30 -1.24 1.85 -1.26 -4.44 116.66 116.31 1sst n ARG 188 Ca 0.39 -0.89 -0.24 0.00 -1.00 0.00 0.00 57.85 56.11 1sst n ARG 188 Cb 0.31 -0.64 -0.12 0.00 -1.05 0.00 0.00 32.46 30.95 1sst n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1sst s HIS 189 N -0.34 1.85 0.78 2.89 3.76 -1.26 -3.23 115.29 119.75 1sst s HIS 189 Ca 0.02 -0.42 -0.14 0.00 -0.15 0.00 0.00 55.06 54.36 1sst s HIS 189 Cb 0.02 -1.00 0.05 0.00 1.11 0.00 0.00 32.58 32.75 1sst s HIS 189 CO 0.00 0.24 1.04 -2.30 -0.85 0.00 0.00 174.74 172.87 1sst n PRO 190 N 0.94 0.29 -3.87 8.40 -0.02 -0.67 -4.04 135.00 136.03 1sst n PRO 190 Ca -0.18 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.16 1sst n PRO 190 Cb 0.54 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 1sst n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1sst s LYS 191 N -3.73 1.76 -0.42 -0.52 3.01 -0.66 -1.47 119.74 117.71 1sst s LYS 191 Ca 0.72 -2.45 -0.26 0.00 -1.01 0.00 0.00 55.97 52.98 1sst s LYS 191 Cb -0.31 -2.99 0.02 0.00 -1.01 0.00 0.00 37.83 33.55 1sst s LYS 191 CO 0.52 -1.13 0.93 0.08 0.51 0.00 0.00 175.35 176.25 1sst s VAL 192 N -0.12 4.51 0.80 3.17 1.01 0.27 -2.59 120.40 127.45 1sst s VAL 192 Ca 0.18 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 1sst s VAL 192 Cb -0.24 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 31.81 1sst s VAL 192 CO -0.01 -0.71 1.14 -0.13 0.00 0.00 0.00 175.10 175.39 1sst s ARG 193 N 3.65 2.05 -0.21 2.72 1.81 -0.47 -0.83 118.95 127.68 1sst s ARG 193 Ca 0.38 0.33 -0.42 0.00 -1.72 0.00 0.00 55.73 54.29 1sst s ARG 193 Cb -0.11 -1.94 -0.19 0.00 -0.45 0.00 0.00 34.95 32.26 1sst s ARG 193 CO 0.23 -1.58 1.36 -1.91 -0.68 0.00 0.00 175.30 172.73 1sst n GLU 194 N -3.35 0.22 -0.99 3.54 2.13 -1.26 -2.55 120.64 118.38 1sst n GLU 194 Ca 0.07 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1sst n GLU 194 Cb 0.59 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1sst n GLU 194 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sst n GLY 195 N 2.80 0.95 3.77 8.31 0.00 -0.28 -0.88 105.19 119.86 1sst n GLY 195 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1sst n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sst s VAL 196 N -3.81 2.18 -0.19 1.61 1.01 -1.06 -4.24 120.40 115.90 1sst s VAL 196 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1sst s VAL 196 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1sst s VAL 196 CO 0.00 0.03 -0.14 -0.04 0.00 0.00 0.00 175.10 174.95 1sst s MET 197 N -2.31 3.16 -0.25 2.72 -1.94 -0.75 -0.93 119.30 119.00 1sst s MET 197 Ca 0.58 -0.75 -0.06 0.00 -1.71 0.00 0.00 55.69 53.76 1sst s MET 197 Cb -0.43 -2.73 -0.01 0.00 2.01 0.00 0.00 34.83 33.66 1sst s MET 197 CO 0.57 -0.17 0.03 0.42 -0.01 0.00 0.00 175.02 175.86 1sst s ILE 198 N 1.28 3.87 0.95 2.53 1.01 -0.19 -1.13 121.20 129.52 1sst s ILE 198 Ca 0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1sst s ILE 198 Cb -0.14 -2.85 0.16 0.00 0.01 0.00 0.00 42.46 39.65 1sst s ILE 198 CO -0.08 0.30 1.10 -0.83 0.00 0.00 0.00 174.94 175.43 1sst s GLY 199 N 1.53 1.63 0.33 6.18 0.00 0.40 -2.71 107.32 114.68 1sst s GLY 199 Ca 0.05 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.67 1sst s GLY 199 CO 0.01 0.69 1.53 0.00 0.00 0.00 0.00 173.10 175.33 1sst s ALA 200 N -2.72 3.65 0.00 3.20 0.00 -1.26 -2.99 121.76 121.64 1sst s ALA 200 Ca 0.65 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.18 1sst s ALA 200 Cb -0.21 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1sst s ALA 200 CO 0.59 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1sst n GLY 201 N 1.30 1.27 3.76 0.00 0.00 -0.58 -0.41 105.19 110.52 1sst n GLY 201 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1sst n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sst s ALA 202 N -3.18 3.60 -0.34 4.61 0.00 -1.16 -4.05 121.76 121.24 1sst s ALA 202 Ca 0.00 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 1sst s ALA 202 Cb 0.00 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.64 1sst s ALA 202 CO 0.00 -0.78 0.07 0.15 0.00 0.00 0.00 175.76 175.20 1sst s LYS 203 N -0.95 2.29 -0.43 0.00 -0.14 0.55 -1.81 119.74 119.25 1sst s LYS 203 Ca 0.56 -1.44 -0.16 0.00 -1.36 0.00 0.00 55.97 53.57 1sst s LYS 203 Cb -0.42 -3.32 0.03 0.00 -1.68 0.00 0.00 37.83 32.44 1sst s LYS 203 CO 0.49 -0.77 0.40 0.42 -0.76 0.00 0.00 175.35 175.13 1sst s ILE 204 N 1.22 5.15 -0.07 2.17 1.01 0.01 -1.68 121.20 129.00 1sst s ILE 204 Ca -0.00 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1sst s ILE 204 Cb -0.21 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1sst s ILE 204 CO -0.02 -0.44 -0.23 -0.76 0.00 0.00 0.00 174.94 173.49 1sst s LEU 205 N 1.96 2.18 0.00 2.97 1.43 -0.84 -1.22 118.68 125.17 1sst s LEU 205 Ca 0.09 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1sst s LEU 205 Cb -0.19 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1sst s LEU 205 CO 0.11 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1sst n GLY 206 N 2.99 2.41 2.65 -3.19 0.00 -0.34 -4.55 105.19 105.16 1sst n GLY 206 Ca -0.18 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 1sst n GLY 206 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sst n ASN 207 N 0.00 5.20 -4.79 1.61 5.15 -1.25 -1.66 115.26 119.52 1sst n ASN 207 Ca 0.00 -2.67 -0.22 0.00 -0.60 0.00 0.00 54.58 51.09 1sst n ASN 207 Cb 0.00 -1.47 -0.05 0.00 -0.53 0.00 0.00 39.78 37.73 1sst n ASN 207 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1sst s ILE 208 N 3.23 4.27 -0.17 -1.44 -4.36 -1.26 -4.93 121.20 116.54 1sst s ILE 208 Ca 0.54 -1.49 -0.08 0.00 -0.26 0.00 0.00 60.65 59.37 1sst s ILE 208 Cb 0.15 -3.30 -0.04 0.00 1.25 0.00 0.00 42.46 40.51 1sst s ILE 208 CO -0.04 -0.35 0.08 -1.61 0.24 0.00 0.00 174.94 173.26 1sst s GLU 209 N -3.80 3.92 -0.44 0.37 0.41 -1.26 -1.65 118.70 116.24 1sst s GLU 209 Ca 0.33 -0.30 -0.03 0.00 -0.41 0.00 0.00 54.97 54.56 1sst s GLU 209 Cb -0.08 -3.23 0.12 0.00 -1.78 0.00 0.00 34.13 29.16 1sst s GLU 209 CO 0.24 0.36 0.25 0.08 -0.49 0.00 0.00 175.26 175.69 1sst s VAL 210 N 0.15 3.38 0.62 2.63 1.01 -1.07 0.06 120.40 127.19 1sst s VAL 210 Ca 0.06 -2.19 -0.18 0.00 0.00 0.00 0.00 61.98 59.67 1sst s VAL 210 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1sst s VAL 210 CO 0.00 -0.72 0.97 0.61 0.00 0.00 0.00 175.10 175.96 1sst n GLY 211 N 4.43 -0.31 3.50 4.51 0.00 0.33 -1.36 105.19 116.29 1sst n GLY 211 Ca -0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1sst n GLY 211 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sst n LYS 212 N -1.18 0.76 -1.45 1.61 2.85 -1.26 -1.80 118.16 117.69 1sst n LYS 212 Ca 0.14 0.28 -0.16 0.00 -1.05 0.00 0.00 58.31 57.52 1sst n LYS 212 Cb 0.48 -1.65 -0.07 0.00 -0.65 0.00 0.00 35.03 33.14 1sst n LYS 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1sst n TYR 213 N -0.79 -0.07 -1.72 5.58 4.02 -0.06 -0.80 117.16 123.32 1sst n TYR 213 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.70 1sst n TYR 213 Cb 0.39 -3.06 0.08 0.00 -0.02 0.00 0.00 39.34 36.73 1sst n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sst s ALA 214 N -2.35 2.52 -0.02 -0.72 0.00 -0.74 -3.99 121.76 116.46 1sst s ALA 214 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1sst s ALA 214 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1sst s ALA 214 CO 0.00 -1.52 -0.13 0.15 0.00 0.00 0.00 175.76 174.26 1sst s LYS 215 N -5.29 1.15 -0.16 0.00 1.02 -0.09 -1.81 119.74 114.57 1sst s LYS 215 Ca 0.60 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 56.12 1sst s LYS 215 Cb -0.13 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 1sst s LYS 215 CO 0.53 0.27 -0.17 0.42 -0.92 0.00 0.00 175.35 175.48 1sst s ILE 216 N -0.22 2.50 0.75 2.17 -1.09 -0.28 -1.10 121.20 123.92 1sst s ILE 216 Ca 0.03 -0.82 -0.15 0.00 -2.23 0.00 0.00 60.65 57.48 1sst s ILE 216 Cb -0.06 -2.05 0.05 0.00 -1.58 0.00 0.00 42.46 38.82 1sst s ILE 216 CO -0.00 0.52 1.23 -0.83 -1.23 0.00 0.00 174.94 174.63 1sst s GLY 217 N 0.91 2.39 0.36 6.18 0.00 0.36 -0.46 107.32 117.07 1sst s GLY 217 Ca -0.04 0.95 -0.28 0.00 0.00 0.00 0.00 44.72 45.36 1sst s GLY 217 CO -0.02 1.37 1.29 0.00 0.00 0.00 0.00 173.10 175.74 1sst s ALA 218 N -1.91 3.39 0.00 3.20 0.00 -1.26 -2.73 121.76 122.45 1sst s ALA 218 Ca 0.76 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1sst s ALA 218 Cb -0.31 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1sst s ALA 218 CO 0.46 -0.69 0.00 0.09 0.00 0.00 0.00 175.76 175.62 1sst n ASN 219 N 0.52 -2.42 -4.59 0.00 5.03 0.45 -4.81 115.26 109.43 1sst n ASN 219 Ca 0.02 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.17 1sst n ASN 219 Cb 0.43 -2.02 0.20 0.00 -1.02 0.00 0.00 39.78 37.37 1sst n ASN 219 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1sst s SER 220 N -2.18 2.06 -0.37 6.41 0.01 -1.10 -4.71 113.70 113.81 1sst s SER 220 Ca 0.00 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1sst s SER 220 Cb 0.00 -2.44 0.12 0.00 0.21 0.00 0.00 66.02 63.92 1sst s SER 220 CO 0.00 -3.59 0.18 -0.69 0.41 0.00 0.00 173.24 169.55 1sst s VAL 221 N -2.58 0.91 -0.15 3.43 1.01 -0.76 -0.33 120.40 121.94 1sst s VAL 221 Ca 0.67 -1.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.50 1sst s VAL 221 Cb -0.24 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1sst s VAL 221 CO 0.61 -0.83 0.80 -0.69 0.00 0.00 0.00 175.10 175.00 1sst s VAL 222 N 1.02 4.92 0.00 2.92 1.01 -0.68 -1.19 120.40 128.39 1sst s VAL 222 Ca 0.14 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1sst s VAL 222 Cb -0.21 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1sst s VAL 222 CO -0.10 0.08 0.00 0.18 0.00 0.00 0.00 175.10 175.25 1sst n LEU 223 N 4.92 0.00 -4.54 3.92 4.77 -1.26 -1.98 117.00 122.83 1sst n LEU 223 Ca 0.03 -0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1sst n LEU 223 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1sst n LEU 223 CO 0.48 0.00 -0.45 0.20 -1.33 0.00 0.00 177.39 176.29 1sst s ASN 224 N -1.54 4.14 0.70 -1.43 0.01 -1.26 -4.90 114.94 110.66 1sst s ASN 224 Ca 0.00 -0.51 -0.16 0.00 -0.71 0.00 0.00 52.86 51.48 1sst s ASN 224 Cb 0.00 -0.68 -0.03 0.00 0.41 0.00 0.00 41.25 40.95 1sst s ASN 224 CO 0.00 0.16 0.70 -2.65 -1.51 0.00 0.00 177.10 173.80 1sst n PRO 225 N 0.60 0.42 -4.79 -0.60 -0.02 -1.26 -4.85 135.00 124.50 1sst n PRO 225 Ca -0.14 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 1sst n PRO 225 Cb 0.53 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 1sst n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sst s VAL 226 N -1.84 2.89 0.85 -1.45 1.01 0.11 -4.96 120.40 117.01 1sst s VAL 226 Ca 0.69 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1sst s VAL 226 Cb -0.36 -2.20 0.11 0.00 0.00 0.00 0.00 36.38 33.92 1sst s VAL 226 CO 0.54 0.53 1.14 -2.84 0.00 0.00 0.00 175.10 174.47 1sst s PRO 227 N 0.42 1.50 0.56 2.72 0.02 -1.26 -0.51 135.00 138.44 1sst s PRO 227 Ca -0.11 1.50 -0.21 0.00 0.02 0.00 0.00 61.00 62.21 1sst s PRO 227 Cb -0.16 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1sst s PRO 227 CO 0.05 -2.27 1.29 -1.21 -0.33 0.00 0.00 177.00 174.53 1sst s GLU 228 N -4.57 3.09 -1.09 5.54 2.02 -1.26 -2.53 118.70 119.89 1sst s GLU 228 Ca 0.67 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.71 1sst s GLU 228 Cb -0.23 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1sst s GLU 228 CO 0.55 -1.17 0.00 0.66 0.02 0.00 0.00 175.26 175.32 1sst n TYR 229 N -1.22 -0.08 -3.71 1.61 4.02 0.02 -4.88 117.16 112.92 1sst n TYR 229 Ca 0.12 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.79 1sst n TYR 229 Cb 0.47 -2.56 -0.04 0.00 -0.02 0.00 0.00 39.34 37.19 1sst n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sst s ALA 230 N -1.81 3.93 -0.13 -0.72 0.00 -1.05 -4.88 121.76 117.11 1sst s ALA 230 Ca 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.14 1sst s ALA 230 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1sst s ALA 230 CO 0.00 -0.14 -0.18 0.99 0.00 0.00 0.00 175.76 176.43 1sst s THR 231 N -2.43 2.57 -0.11 0.00 2.01 -1.26 -0.91 115.64 115.51 1sst s THR 231 Ca 0.45 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1sst s THR 231 Cb -0.03 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1sst s THR 231 CO 0.27 0.54 -0.13 0.00 -0.69 0.00 0.00 174.62 174.61 1sst s ALA 232 N 0.47 2.66 0.01 7.40 0.00 -0.26 0.04 121.76 132.08 1sst s ALA 232 Ca -0.12 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 1sst s ALA 232 Cb -0.16 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 21.81 1sst s ALA 232 CO 0.05 0.32 0.47 0.00 0.00 0.00 0.00 175.76 176.60 1sst s ALA 233 N 0.10 -1.19 0.00 0.00 0.00 -0.59 -0.49 121.76 119.60 1sst s ALA 233 Ca -0.06 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1sst s ALA 233 Cb -0.15 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1sst s ALA 233 CO 0.04 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1sst n GLY 234 N 0.72 2.29 2.84 0.00 0.00 -1.26 -1.45 105.19 108.34 1sst n GLY 234 Ca -0.19 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1sst n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sst s VAL 235 N -2.38 1.55 0.71 1.61 1.01 -1.26 -0.67 120.40 120.97 1sst s VAL 235 Ca 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 61.98 59.83 1sst s VAL 235 Cb 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1sst s VAL 235 CO 0.00 -0.70 1.08 -2.84 0.00 0.00 0.00 175.10 172.64 1sst s PRO 236 N 1.04 2.87 0.39 2.72 0.02 -1.26 -5.00 135.00 135.78 1sst s PRO 236 Ca 0.12 0.65 -0.26 0.00 0.02 0.00 0.00 61.00 61.53 1sst s PRO 236 Cb -0.20 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 1sst s PRO 236 CO -0.14 -1.07 1.19 0.00 -0.33 0.00 0.00 177.00 176.65 1sst s ALA 237 N -3.22 3.20 0.20 -1.55 0.00 0.16 -4.88 121.76 115.67 1sst s ALA 237 Ca 0.58 1.02 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1sst s ALA 237 Cb -0.12 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1sst s ALA 237 CO 0.53 -0.56 -0.15 1.03 0.00 0.00 0.00 175.76 176.62 1sst s ARG 238 N -2.22 1.31 -0.11 0.00 0.52 -0.52 -4.81 118.95 113.11 1sst s ARG 238 Ca 0.56 -1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 53.92 1sst s ARG 238 Cb -0.32 -1.12 -0.01 0.00 0.52 0.00 0.00 34.95 34.02 1sst s ARG 238 CO 0.41 0.19 1.00 0.42 0.02 0.00 0.00 175.30 177.34 1sst s ILE 239 N -2.87 4.79 0.00 1.52 -1.09 -1.26 -1.55 121.20 120.74 1sst s ILE 239 Ca 0.21 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.65 1sst s ILE 239 Cb -0.01 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1sst s ILE 239 CO 0.07 0.00 0.45 0.55 -1.23 0.00 0.00 174.94 174.78