#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssq n ASN 2 N 0.00 -2.04 0.15 7.83 5.15 -1.26 -4.58 115.26 120.51 1ssq n ASN 2 Ca 0.00 0.58 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 1ssq n ASN 2 Cb 0.00 2.03 0.19 0.00 -0.53 0.00 0.00 39.78 41.47 1ssq n ASN 2 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1ssq h LEU 3 N 0.00 0.00 -0.32 1.20 5.85 -2.02 -2.92 115.31 117.10 1ssq h LEU 3 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1ssq h LEU 3 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1ssq h LEU 3 CO 0.00 0.57 -0.23 0.44 -0.34 0.00 0.00 178.44 178.89 1ssq h ASP 4 N 0.00 0.76 0.20 1.25 3.45 -1.98 -2.49 116.42 117.60 1ssq h ASP 4 Ca -0.01 -0.44 0.01 0.00 0.43 0.00 0.00 57.03 57.03 1ssq h ASP 4 Cb 1.11 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.64 1ssq h ASP 4 CO 0.07 1.03 -0.29 0.58 -1.57 0.00 0.00 179.24 179.07 1ssq h VAL 5 N 0.48 0.39 0.00 -1.35 2.07 -1.82 0.14 116.25 116.16 1ssq h VAL 5 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1ssq h VAL 5 Cb 0.78 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ssq h VAL 5 CO 0.06 0.00 -0.20 -0.25 0.02 0.00 0.00 177.57 177.20 1ssq h TRP 6 N -0.55 0.00 0.00 1.57 -0.00 -1.56 -1.73 115.95 113.68 1ssq h TRP 6 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.79 1ssq h TRP 6 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.69 1ssq h TRP 6 CO -0.22 0.20 -0.62 1.96 -0.00 0.00 0.00 178.44 179.77 1ssq h GLN 7 N 0.00 0.00 -0.34 2.65 1.08 -1.07 0.17 115.11 117.60 1ssq h GLN 7 Ca -0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1ssq h GLN 7 Cb 0.37 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1ssq h GLN 7 CO 0.03 0.43 -0.44 0.45 -0.95 0.00 0.00 178.83 178.35 1ssq h HIS 8 N 0.00 1.07 -0.18 2.96 3.86 -0.04 -1.51 115.15 121.31 1ssq h HIS 8 Ca -0.03 -0.34 -0.18 0.00 -1.16 0.00 0.00 60.37 58.66 1ssq h HIS 8 Cb 1.38 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1ssq h HIS 8 CO 0.00 1.16 -0.62 0.82 0.86 0.00 0.00 177.93 180.15 1ssq h ILE 9 N 0.71 1.31 -0.42 2.45 2.04 -1.33 -1.77 117.51 120.50 1ssq h ILE 9 Ca 0.05 -1.87 -0.04 0.00 1.00 0.00 0.00 64.86 63.99 1ssq h ILE 9 Cb 1.03 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1ssq h ILE 9 CO 0.10 0.59 0.09 0.03 0.00 0.00 0.00 178.15 178.96 1ssq h ARG 10 N 0.47 0.67 -0.38 2.37 3.08 -0.87 -1.60 114.38 118.13 1ssq h ARG 10 Ca -0.01 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1ssq h ARG 10 Cb 1.20 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1ssq h ARG 10 CO 0.12 0.69 -0.17 0.37 -1.07 0.00 0.00 179.97 179.91 1ssq h GLN 11 N 0.54 0.70 -0.33 0.04 4.15 -1.25 -3.14 115.11 115.82 1ssq h GLN 11 Ca 0.13 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 1ssq h GLN 11 Cb 0.33 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1ssq h GLN 11 CO 0.00 0.83 0.04 0.93 -1.93 0.00 0.00 178.83 178.71 1ssq h GLU 12 N 0.63 0.55 -0.95 1.69 5.08 -1.01 -3.11 114.58 117.46 1ssq h GLU 12 Ca 0.10 -0.15 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1ssq h GLU 12 Cb 0.64 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1ssq h GLU 12 CO 0.05 0.64 0.57 0.00 -1.00 0.00 0.00 179.01 179.26 1ssq h ALA 13 N 0.88 1.44 -0.24 3.43 0.00 -1.28 0.11 119.26 123.61 1ssq h ALA 13 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ssq h ALA 13 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ssq h ALA 13 CO 0.01 0.10 0.15 0.87 0.00 0.00 0.00 179.25 180.39 1ssq h LYS 14 N 0.86 0.32 -0.29 0.00 1.57 -1.50 0.12 116.57 117.65 1ssq h LYS 14 Ca 0.49 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1ssq h LYS 14 Cb 0.57 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1ssq h LYS 14 CO -0.30 0.22 0.11 0.93 -0.57 0.00 0.00 179.45 179.85 1ssq h GLU 15 N 0.31 0.43 0.00 3.15 4.39 -1.37 -2.69 114.58 118.80 1ssq h GLU 15 Ca 0.09 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1ssq h GLU 15 Cb -0.02 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1ssq h GLU 15 CO -0.02 0.45 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.94 1ssq h LEU 16 N 0.31 0.00 -1.15 1.33 -0.00 -0.71 -1.92 115.31 113.17 1ssq h LEU 16 Ca 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.91 1ssq h LEU 16 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1ssq h LEU 16 CO -0.01 0.27 -0.15 0.00 -0.00 0.00 0.00 178.44 178.55 1ssq h ALA 17 N 1.73 1.29 -0.19 1.53 0.00 -0.46 -1.24 119.26 121.92 1ssq h ALA 17 Ca -0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1ssq h ALA 17 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ssq h ALA 17 CO 0.04 0.47 -0.64 0.93 0.00 0.00 0.00 179.25 180.04 1ssq h GLU 18 N 0.38 0.69 0.00 0.00 5.08 -1.06 -3.26 114.58 116.41 1ssq h GLU 18 Ca 0.07 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1ssq h GLU 18 Cb 0.49 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ssq h GLU 18 CO 0.03 1.11 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.94 1ssq h ASN 19 N 0.50 0.00 -2.64 1.42 -0.26 -1.22 -3.39 115.58 110.00 1ssq h ASN 19 Ca -0.01 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.14 1ssq h ASN 19 Cb 1.24 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 38.11 1ssq h ASN 19 CO 0.13 0.30 -0.87 -0.70 -1.06 0.00 0.00 177.43 175.22 1ssq s GLU 20 N -3.09 0.92 0.44 0.81 2.56 -0.48 -4.98 118.70 114.88 1ssq s GLU 20 Ca 0.05 -1.89 0.19 0.00 0.00 0.00 0.00 54.97 53.31 1ssq s GLU 20 Cb 0.07 -1.62 1.12 0.00 2.00 0.00 0.00 34.13 35.70 1ssq s GLU 20 CO 0.71 -1.29 1.88 -1.35 -0.56 0.00 0.00 175.26 174.65 1ssq h PRO 21 N 6.26 0.35 -0.01 4.30 0.11 -1.78 -0.18 132.00 141.05 1ssq h PRO 21 Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1ssq h PRO 21 Cb 0.92 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ssq h PRO 21 CO 0.37 0.23 0.03 0.52 -0.21 0.00 0.00 178.00 178.94 1ssq h MET 22 N 0.36 0.00 -0.08 1.05 2.86 -1.94 -1.14 114.93 116.04 1ssq h MET 22 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1ssq h MET 22 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1ssq h MET 22 CO -0.14 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.11 1ssq n LEU 23 N -3.36 1.93 -0.12 1.22 4.77 -0.12 -4.67 117.00 116.65 1ssq n LEU 23 Ca -0.03 -1.35 -0.05 0.00 -0.03 0.00 0.00 56.01 54.56 1ssq n LEU 23 Cb 0.11 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1ssq n LEU 23 CO 0.22 0.44 0.86 0.00 -1.33 0.00 0.00 177.39 177.58 1ssq h ALA 24 N 1.33 0.38 -0.11 -1.18 0.00 -0.71 0.18 119.26 119.15 1ssq h ALA 24 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ssq h ALA 24 Cb 0.41 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ssq h ALA 24 CO 0.00 -0.38 -0.13 0.77 0.00 0.00 0.00 179.25 179.51 1ssq h SER 25 N 0.12 0.16 -0.29 0.00 0.02 -1.83 -1.11 113.55 110.62 1ssq h SER 25 Ca 0.19 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1ssq h SER 25 Cb 0.27 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ssq h SER 25 CO -0.31 0.31 0.01 0.15 -1.14 0.00 0.00 176.83 175.84 1ssq h PHE 26 N 0.16 0.55 -0.58 3.45 3.57 -1.06 -1.10 116.94 121.93 1ssq h PHE 26 Ca 0.03 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1ssq h PHE 26 Cb 0.34 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1ssq h PHE 26 CO 0.00 0.64 0.16 0.74 -2.23 0.00 0.00 178.31 177.62 1ssq h PHE 27 N 0.30 0.92 -0.21 0.41 0.05 -0.38 -1.76 116.94 116.27 1ssq h PHE 27 Ca 0.08 -0.08 -0.07 0.00 3.82 0.00 0.00 57.97 61.72 1ssq h PHE 27 Cb 0.42 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 1ssq h PHE 27 CO 0.03 0.76 -0.13 0.45 -0.18 0.00 0.00 178.31 179.24 1ssq h HIS 28 N 0.86 0.53 -0.10 -0.55 3.86 -1.13 0.77 115.15 119.39 1ssq h HIS 28 Ca 0.19 -0.14 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 1ssq h HIS 28 Cb 0.29 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1ssq h HIS 28 CO 0.02 0.76 -0.37 0.77 0.86 0.00 0.00 177.93 179.97 1ssq h SER 29 N 0.15 0.21 0.00 2.45 0.02 -1.06 0.13 113.55 115.45 1ssq h SER 29 Ca 0.04 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 1ssq h SER 29 Cb 0.63 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1ssq h SER 29 CO 0.04 0.56 -1.18 0.35 -1.14 0.00 0.00 176.83 175.46 1ssq n THR 30 N -4.07 1.51 -0.03 -2.27 -2.24 -0.67 -4.76 114.28 101.74 1ssq n THR 30 Ca -0.01 0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1ssq n THR 30 Cb 0.44 -2.12 -0.01 0.00 -2.10 0.00 0.00 70.33 66.54 1ssq n THR 30 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ssq n ILE 31 N -4.46 0.64 0.00 2.28 5.41 0.15 -4.03 119.36 119.35 1ssq n ILE 31 Ca -0.28 0.33 0.20 0.00 1.00 0.00 0.00 62.75 64.00 1ssq n ILE 31 Cb 0.60 -1.80 0.70 0.00 -0.71 0.00 0.00 39.64 38.43 1ssq n ILE 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ssq h LEU 32 N -0.38 0.00 -0.06 1.39 3.38 -1.21 -2.07 115.31 116.35 1ssq h LEU 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ssq h LEU 32 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ssq h LEU 32 CO 0.00 0.00 -0.36 2.29 0.09 0.00 0.00 178.44 180.46 1ssq n LYS 33 N -4.33 0.12 -3.58 1.13 2.85 0.45 -4.89 118.16 109.90 1ssq n LYS 33 Ca 0.10 -0.06 -0.27 0.00 -1.05 0.00 0.00 58.31 57.03 1ssq n LYS 33 Cb 0.61 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 1ssq n LYS 33 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1ssq s HIS 34 N -2.92 3.48 -0.48 5.58 3.76 -0.78 -5.01 115.29 118.93 1ssq s HIS 34 Ca 0.14 0.38 0.23 0.00 -0.15 0.00 0.00 55.06 55.67 1ssq s HIS 34 Cb 0.18 -1.89 0.22 0.00 1.11 0.00 0.00 32.58 32.19 1ssq s HIS 34 CO 0.64 0.30 1.24 1.96 -0.85 0.00 0.00 174.74 178.02 1ssq h GLN 35 N 1.67 0.00 -4.20 1.40 4.20 -1.90 -3.48 115.11 112.80 1ssq h GLN 35 Ca -0.48 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 57.96 1ssq h GLN 35 Cb 1.20 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.88 1ssq h GLN 35 CO 0.66 0.00 -0.26 0.54 -0.67 0.00 0.00 178.83 179.10 1ssq s ASN 36 N -4.78 0.81 0.18 1.46 2.20 -1.26 -5.05 114.94 108.51 1ssq s ASN 36 Ca 0.04 -1.44 -0.13 0.00 -0.94 0.00 0.00 52.86 50.39 1ssq s ASN 36 Cb 0.11 0.62 0.11 0.00 -2.00 0.00 0.00 41.25 40.09 1ssq s ASN 36 CO 0.74 -1.21 1.82 0.25 -2.94 0.00 0.00 177.10 175.76 1ssq h LEU 37 N 2.18 0.54 -0.95 3.54 5.85 -1.95 -2.58 115.31 121.94 1ssq h LEU 37 Ca -0.28 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.60 1ssq h LEU 37 Cb 1.24 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 1ssq h LEU 37 CO 0.39 0.38 0.55 1.23 -0.34 0.00 0.00 178.44 180.65 1ssq h GLY 38 N 0.66 1.61 1.01 3.75 0.00 -1.96 0.40 103.07 108.53 1ssq h GLY 38 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1ssq h GLY 38 CO -0.09 -0.02 0.46 -1.33 0.00 0.00 0.00 176.54 175.56 1ssq h GLY 39 N 0.75 1.05 0.69 4.60 0.00 -1.85 -0.73 103.07 107.57 1ssq h GLY 39 Ca 0.52 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1ssq h GLY 39 CO -0.36 0.41 -0.18 0.00 0.00 0.00 0.00 176.54 176.41 1ssq h ALA 40 N 1.24 0.16 -0.25 3.60 0.00 -1.28 -3.04 119.26 119.71 1ssq h ALA 40 Ca 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ssq h ALA 40 Cb -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ssq h ALA 40 CO -0.05 0.09 0.09 1.25 0.00 0.00 0.00 179.25 180.62 1ssq h LEU 41 N -0.12 0.35 -0.82 0.00 5.85 -0.90 -0.84 115.31 118.82 1ssq h LEU 41 Ca 0.01 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1ssq h LEU 41 Cb 0.75 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1ssq h LEU 41 CO 0.04 0.43 0.31 0.77 -0.34 0.00 0.00 178.44 179.66 1ssq h SER 42 N 0.24 1.09 0.51 1.25 4.64 -1.26 0.15 113.55 120.16 1ssq h SER 42 Ca 0.08 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1ssq h SER 42 Cb 0.20 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1ssq h SER 42 CO -0.01 0.96 -0.24 0.22 -0.87 0.00 0.00 176.83 176.90 1ssq h TYR 43 N 1.15 -0.63 -0.62 4.77 5.03 -1.46 -1.55 116.97 123.67 1ssq h TYR 43 Ca 0.26 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.57 1ssq h TYR 43 Cb 0.22 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.67 1ssq h TYR 43 CO 0.02 -0.35 0.40 -0.07 -1.32 0.00 0.00 178.16 176.84 1ssq h LEU 44 N -0.78 0.68 -0.75 2.82 3.38 -0.95 -2.47 115.31 117.24 1ssq h LEU 44 Ca -0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1ssq h LEU 44 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ssq h LEU 44 CO 0.11 0.48 -0.03 -0.07 0.09 0.00 0.00 178.44 179.02 1ssq h LEU 45 N 0.80 0.90 -0.38 1.67 3.38 -0.69 -1.77 115.31 119.23 1ssq h LEU 45 Ca 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ssq h LEU 45 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1ssq h LEU 45 CO -0.07 0.98 0.20 0.00 0.09 0.00 0.00 178.44 179.64 1ssq h ALA 46 N 1.11 0.49 -0.57 1.53 0.00 -1.16 -1.05 119.26 119.61 1ssq h ALA 46 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ssq h ALA 46 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ssq h ALA 46 CO 0.03 0.03 0.07 -0.91 0.00 0.00 0.00 179.25 178.47 1ssq h ASN 47 N 0.48 0.92 0.67 0.00 2.35 -1.34 -1.21 115.58 117.44 1ssq h ASN 47 Ca 0.13 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1ssq h ASN 47 Cb 0.08 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1ssq h ASN 47 CO -0.02 0.96 -0.53 0.11 -1.65 0.00 0.00 177.43 176.30 1ssq h LYS 48 N 0.85 0.00 -0.08 0.81 1.57 -1.02 -3.15 116.57 115.54 1ssq h LYS 48 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1ssq h LYS 48 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1ssq h LYS 48 CO 0.02 0.53 0.00 1.28 -0.57 0.00 0.00 179.45 180.71 1ssq n LEU 49 N -3.74 3.01 -4.55 2.94 4.77 -0.42 -4.90 117.00 114.11 1ssq n LEU 49 Ca -0.01 -1.05 -0.34 0.00 -0.03 0.00 0.00 56.01 54.57 1ssq n LEU 49 Cb 0.57 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.73 1ssq n LEU 49 CO 0.40 0.53 0.32 0.00 -1.33 0.00 0.00 177.39 177.31 1ssq n ALA 50 N 1.32 -1.17 -3.60 -1.18 0.00 -0.46 -4.95 120.51 110.47 1ssq n ALA 50 Ca 0.15 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 1ssq n ALA 50 Cb 0.59 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 1ssq n ALA 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ssq s ASN 51 N -1.88 -0.35 0.55 0.00 3.84 -1.05 -4.94 114.94 111.11 1ssq s ASN 51 Ca 0.67 0.48 0.29 0.00 0.21 0.00 0.00 52.86 54.50 1ssq s ASN 51 Cb -0.29 0.42 1.46 0.00 -0.55 0.00 0.00 41.25 42.29 1ssq s ASN 51 CO 0.57 -0.25 1.94 -0.65 -2.79 0.00 0.00 177.10 175.92 1ssq h PRO 52 N 2.99 0.00 -0.79 0.43 0.11 -1.98 0.12 132.00 132.88 1ssq h PRO 52 Ca -0.21 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 1ssq h PRO 52 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1ssq h PRO 52 CO 0.24 0.00 0.33 0.82 -0.21 0.00 0.00 178.00 179.19 1ssq h ILE 53 N 0.00 1.26 -2.42 4.15 2.04 -2.00 -3.36 117.51 117.18 1ssq h ILE 53 Ca 0.30 -0.78 -0.53 0.00 1.00 0.00 0.00 64.86 64.85 1ssq h ILE 53 Cb 1.28 0.29 -0.37 0.00 -0.74 0.00 0.00 36.82 37.28 1ssq h ILE 53 CO -0.00 0.32 -0.82 -0.32 0.00 0.00 0.00 178.15 177.33 1ssq s MET 54 N -5.57 0.59 0.77 2.37 0.00 0.29 -5.14 119.30 112.61 1ssq s MET 54 Ca -0.12 -1.27 -0.13 0.00 0.00 0.00 0.00 55.69 54.17 1ssq s MET 54 Cb 0.16 -1.17 0.06 0.00 0.00 0.00 0.00 34.83 33.88 1ssq s MET 54 CO 0.83 -1.22 1.15 -2.14 0.00 0.00 0.00 175.02 173.64 1ssq s PRO 55 N 1.09 1.99 0.18 4.11 0.02 -0.52 -2.52 135.00 139.35 1ssq s PRO 55 Ca 0.19 1.51 -0.17 0.00 0.02 0.00 0.00 61.00 62.56 1ssq s PRO 55 Cb -0.20 -1.84 0.14 0.00 0.02 0.00 0.00 34.50 32.62 1ssq s PRO 55 CO -0.01 -1.90 1.65 0.00 -0.33 0.00 0.00 177.00 176.41 1ssq h ALA 56 N -0.82 0.26 -0.97 -1.55 0.00 -1.84 0.17 119.26 114.51 1ssq h ALA 56 Ca -0.45 0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.79 1ssq h ALA 56 Cb 1.27 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 19.38 1ssq h ALA 56 CO 0.49 -0.48 0.61 0.97 0.00 0.00 0.00 179.25 180.84 1ssq h ILE 57 N -0.04 0.82 -0.08 0.00 2.10 -1.91 0.16 117.51 118.56 1ssq h ILE 57 Ca 0.23 -0.28 -0.25 0.00 1.08 0.00 0.00 64.86 65.64 1ssq h ILE 57 Cb 0.38 -0.05 0.02 0.00 -1.09 0.00 0.00 36.82 36.07 1ssq h ILE 57 CO -0.50 0.15 -0.92 0.28 -1.08 0.00 0.00 178.15 176.08 1ssq h SER 58 N 0.80 0.94 -0.64 2.19 0.02 -1.23 -3.28 113.55 112.35 1ssq h SER 58 Ca 0.50 -0.68 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1ssq h SER 58 Cb 0.72 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1ssq h SER 58 CO -0.27 1.48 0.12 0.25 -1.14 0.00 0.00 176.83 177.27 1ssq h LEU 59 N 0.47 1.00 -1.53 5.07 5.85 0.02 -2.90 115.31 123.30 1ssq h LEU 59 Ca -0.09 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1ssq h LEU 59 Cb 1.56 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1ssq h LEU 59 CO 0.18 1.00 0.35 -0.09 -0.34 0.00 0.00 178.44 179.54 1ssq h ARG 60 N 0.96 0.60 -0.47 1.25 2.43 -0.78 0.97 114.38 119.34 1ssq h ARG 60 Ca 0.20 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 1ssq h ARG 60 Cb 0.41 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1ssq h ARG 60 CO 0.01 0.40 -0.20 0.93 -1.51 0.00 0.00 179.97 179.59 1ssq h GLU 61 N 0.62 0.95 -0.52 0.20 5.08 -1.60 0.10 114.58 119.42 1ssq h GLU 61 Ca 0.21 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1ssq h GLU 61 Cb 0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1ssq h GLU 61 CO -0.05 1.06 0.13 0.82 -1.00 0.00 0.00 179.01 179.96 1ssq h ILE 62 N 0.82 1.24 -0.30 3.13 2.04 -1.18 -1.65 117.51 121.62 1ssq h ILE 62 Ca 0.11 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1ssq h ILE 62 Cb 0.77 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1ssq h ILE 62 CO 0.06 0.31 0.08 0.40 0.00 0.00 0.00 178.15 179.00 1ssq h ILE 63 N 0.72 1.21 -0.92 -0.67 2.04 -0.42 -2.69 117.51 116.79 1ssq h ILE 63 Ca 0.16 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.36 1ssq h ILE 63 Cb 0.33 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1ssq h ILE 63 CO 0.00 0.23 0.60 -0.33 0.00 0.00 0.00 178.15 178.65 1ssq h GLU 64 N 0.32 1.11 -0.31 2.37 5.08 -0.63 -1.38 114.58 121.14 1ssq h GLU 64 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ssq h GLU 64 Cb 0.28 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ssq h GLU 64 CO -0.00 0.73 0.14 1.49 -1.00 0.00 0.00 179.01 180.38 1ssq h GLU 65 N 1.14 0.44 -0.62 2.33 4.22 -1.23 0.12 114.58 120.98 1ssq h GLU 65 Ca 0.36 -0.07 0.08 0.00 0.08 0.00 0.00 59.36 59.82 1ssq h GLU 65 Cb 0.02 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 1ssq h GLU 65 CO -0.11 0.42 0.27 0.00 -2.18 0.00 0.00 179.01 177.41 1ssq h ALA 66 N 1.00 0.82 -0.38 2.92 0.00 -1.02 0.13 119.26 122.72 1ssq h ALA 66 Ca 0.10 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ssq h ALA 66 Cb 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ssq h ALA 66 CO -0.01 -0.12 -0.10 1.88 0.00 0.00 0.00 179.25 180.89 1ssq h TYR 67 N 0.49 0.84 -0.30 0.00 0.99 -0.62 -0.75 116.97 117.62 1ssq h TYR 67 Ca 0.30 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 1ssq h TYR 67 Cb 0.32 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.83 1ssq h TYR 67 CO -0.13 0.89 0.19 0.37 -0.00 0.00 0.00 178.16 179.47 1ssq h GLN 68 N 0.55 0.41 0.48 4.88 5.75 -0.31 -2.11 115.11 124.76 1ssq h GLN 68 Ca 0.09 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1ssq h GLN 68 Cb 0.63 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1ssq h GLN 68 CO 0.04 0.30 -0.23 0.77 -2.65 0.00 0.00 178.83 177.06 1ssq h SER 69 N 0.39 -0.55 -4.25 -0.69 0.02 -0.67 -3.38 113.55 104.42 1ssq h SER 69 Ca 0.11 -0.07 -0.66 0.00 -0.84 0.00 0.00 61.79 60.33 1ssq h SER 69 Cb -0.01 0.14 -0.39 0.00 0.14 0.00 0.00 62.40 62.28 1ssq h SER 69 CO -0.02 -0.16 -0.56 0.21 -1.14 0.00 0.00 176.83 175.16 1ssq s ASN 70 N -4.82 4.60 0.59 3.07 2.47 -0.30 -4.95 114.94 115.60 1ssq s ASN 70 Ca -0.13 -2.90 0.29 0.00 0.42 0.00 0.00 52.86 50.54 1ssq s ASN 70 Cb 0.02 -1.70 1.79 0.00 -1.45 0.00 0.00 41.25 39.91 1ssq s ASN 70 CO 0.45 -0.28 2.25 -0.65 -3.72 0.00 0.00 177.10 175.14 1ssq h PRO 71 N 6.73 0.00 -0.01 0.43 0.11 -1.57 -2.28 132.00 135.42 1ssq h PRO 71 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ssq h PRO 71 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ssq h PRO 71 CO 0.68 0.00 0.01 0.66 -0.21 0.00 0.00 178.00 179.15 1ssq h SER 72 N 0.00 0.00 -0.98 -2.05 4.64 -1.92 -0.57 113.55 112.67 1ssq h SER 72 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1ssq h SER 72 Cb 0.01 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.04 1ssq h SER 72 CO 0.00 0.00 0.63 0.40 -0.87 0.00 0.00 176.83 176.99 1ssq h ILE 73 N 0.00 1.07 -0.03 0.95 2.04 -1.75 -1.06 117.51 118.74 1ssq h ILE 73 Ca 0.00 -0.39 -0.25 0.00 1.00 0.00 0.00 64.86 65.23 1ssq h ILE 73 Cb 0.02 -0.15 0.02 0.00 -0.74 0.00 0.00 36.82 35.97 1ssq h ILE 73 CO -0.00 0.21 -0.97 0.40 0.00 0.00 0.00 178.15 177.79 1ssq h ILE 74 N 1.13 1.30 -0.75 -0.67 2.04 -1.33 -2.93 117.51 116.29 1ssq h ILE 74 Ca 0.42 -2.22 0.07 0.00 1.00 0.00 0.00 64.86 64.14 1ssq h ILE 74 Cb 0.19 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 1ssq h ILE 74 CO -0.17 0.69 0.43 0.44 0.00 0.00 0.00 178.15 179.54 1ssq h ASP 75 N 0.40 0.63 -0.76 1.72 3.32 -1.27 -0.80 116.42 119.66 1ssq h ASP 75 Ca -0.10 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ssq h ASP 75 Cb 1.61 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 41.03 1ssq h ASP 75 CO 0.19 0.39 0.48 0.00 -1.72 0.00 0.00 179.24 178.58 1ssq h ALA 77 N 1.26 1.36 -0.35 0.00 0.00 -1.09 0.20 119.26 120.65 1ssq h ALA 77 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ssq h ALA 77 Cb -0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 1ssq h ALA 77 CO -0.06 0.55 0.13 0.00 0.00 0.00 0.00 179.25 179.87 1ssq h ALA 78 N 1.43 0.45 -0.28 0.00 0.00 -0.03 -1.13 119.26 119.70 1ssq h ALA 78 Ca 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ssq h ALA 78 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ssq h ALA 78 CO -0.12 0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.33 1ssq h ASP 80 N 0.31 0.56 -0.29 0.00 3.32 -0.45 0.13 116.42 120.01 1ssq h ASP 80 Ca 0.09 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1ssq h ASP 80 Cb 0.14 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1ssq h ASP 80 CO -0.01 0.30 0.06 0.40 -1.72 0.00 0.00 179.24 178.26 1ssq h ILE 81 N 0.60 1.23 -0.50 0.35 2.04 -0.61 -2.22 117.51 118.40 1ssq h ILE 81 Ca 0.40 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1ssq h ILE 81 Cb 0.70 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1ssq h ILE 81 CO -0.16 0.25 0.16 1.56 0.00 0.00 0.00 178.15 179.96 1ssq h GLN 82 N 0.30 0.74 -0.31 2.37 4.20 -0.69 -1.54 115.11 120.18 1ssq h GLN 82 Ca 0.09 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1ssq h GLN 82 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1ssq h GLN 82 CO 0.00 0.65 0.19 0.00 -0.67 0.00 0.00 178.83 179.00 1ssq h ALA 83 N 1.45 0.39 -0.48 3.87 0.00 -0.40 0.26 119.26 124.34 1ssq h ALA 83 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ssq h ALA 83 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ssq h ALA 83 CO -0.01 -0.17 0.06 0.28 0.00 0.00 0.00 179.25 179.41 1ssq h VAL 84 N 0.39 1.25 -0.76 0.00 2.07 -0.85 0.31 116.25 118.67 1ssq h VAL 84 Ca 0.12 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1ssq h VAL 84 Cb -0.02 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1ssq h VAL 84 CO -0.04 0.34 0.46 -0.09 0.02 0.00 0.00 177.57 178.25 1ssq h ARG 85 N 0.68 0.82 0.00 1.57 1.12 -0.97 0.16 114.38 117.77 1ssq h ARG 85 Ca 0.14 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.90 1ssq h ARG 85 Cb 0.42 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1ssq h ARG 85 CO 0.01 0.55 -0.53 0.45 -3.11 0.00 0.00 179.97 177.34 1ssq h HIS 86 N 0.85 0.00 0.00 2.20 3.86 0.34 -3.38 115.15 119.01 1ssq h HIS 86 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1ssq h HIS 86 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1ssq h HIS 86 CO -0.05 0.27 -1.37 0.54 0.86 0.00 0.00 177.93 178.18 1ssq n ARG 87 N -3.06 0.89 -3.42 2.45 1.74 0.10 -4.93 116.66 110.44 1ssq n ARG 87 Ca 0.01 -0.09 -0.44 0.00 -0.77 0.00 0.00 57.85 56.56 1ssq n ARG 87 Cb 0.65 -1.25 -0.08 0.00 -1.02 0.00 0.00 32.46 30.77 1ssq n ARG 87 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ssq s ASP 88 N -3.18 6.06 0.64 0.55 -1.08 0.55 -4.95 116.67 115.25 1ssq s ASP 88 Ca -0.03 -1.44 0.34 0.00 -0.52 0.00 0.00 52.55 50.91 1ssq s ASP 88 Cb 0.08 -2.15 1.90 0.00 -1.46 0.00 0.00 42.92 41.29 1ssq s ASP 88 CO 0.51 -0.66 2.14 -0.65 0.52 0.00 0.00 175.17 177.03 1ssq h PRO 89 N 8.71 0.00 0.00 4.34 0.11 -1.89 -0.86 132.00 142.41 1ssq h PRO 89 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1ssq h PRO 89 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ssq h PRO 89 CO 0.88 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 178.55 1ssq h ALA 90 N 1.72 0.93 -2.35 -0.75 0.00 -1.94 -3.43 119.26 113.44 1ssq h ALA 90 Ca 0.03 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.25 1ssq h ALA 90 Cb 0.38 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1ssq h ALA 90 CO -0.00 0.15 0.42 0.08 0.00 0.00 0.00 179.25 179.90 1ssq s VAL 91 N -3.19 4.86 -0.26 0.00 1.01 -0.33 -4.90 120.40 117.59 1ssq s VAL 91 Ca 0.06 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.72 1ssq s VAL 91 Cb 0.06 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1ssq s VAL 91 CO 0.68 0.00 0.27 -0.62 0.00 0.00 0.00 175.10 175.43 1ssq n GLU 92 N 5.39 4.34 -4.61 2.72 1.02 -1.26 -4.92 120.64 123.33 1ssq n GLU 92 Ca 0.05 -0.17 -0.23 0.00 -0.02 0.00 0.00 57.16 56.79 1ssq n GLU 92 Cb 0.48 -0.77 -0.14 0.00 -0.02 0.00 0.00 31.44 30.99 1ssq n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ssq s LEU 93 N -1.76 2.09 0.53 -4.62 1.43 -1.26 -5.04 118.68 110.06 1ssq s LEU 93 Ca 0.02 -0.37 0.32 0.00 -1.03 0.00 0.00 54.13 53.07 1ssq s LEU 93 Cb 0.03 -0.77 1.36 0.00 0.03 0.00 0.00 46.19 46.84 1ssq s LEU 93 CO 0.13 0.14 1.99 -0.50 0.23 0.00 0.00 176.35 178.34 1ssq h TRP 94 N 5.39 0.00 0.00 0.29 4.06 -1.96 -3.00 115.95 120.72 1ssq h TRP 94 Ca -0.37 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.57 1ssq h TRP 94 Cb 1.16 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1ssq h TRP 94 CO 0.45 0.06 -0.58 0.66 -3.56 0.00 0.00 178.44 175.47 1ssq h SER 95 N 0.00 0.00 -0.38 -3.49 4.64 -1.90 -3.37 113.55 109.05 1ssq h SER 95 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1ssq h SER 95 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 1ssq h SER 95 CO 0.01 0.05 0.03 0.74 -0.87 0.00 0.00 176.83 176.78 1ssq h THR 96 N 0.00 0.74 -0.27 2.95 2.02 -1.95 0.35 112.91 116.75 1ssq h THR 96 Ca -0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ssq h THR 96 Cb 1.04 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1ssq h THR 96 CO 0.00 0.02 0.16 -0.65 0.37 0.00 0.00 175.52 175.43 1ssq h PRO 97 N 0.13 0.37 -0.47 6.66 0.11 -1.77 0.85 132.00 137.88 1ssq h PRO 97 Ca 0.19 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.27 1ssq h PRO 97 Cb 0.25 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1ssq h PRO 97 CO -0.29 0.28 0.29 1.25 -0.21 0.00 0.00 178.00 179.33 1ssq h LEU 98 N 0.34 0.50 0.16 2.35 5.85 -1.61 -2.86 115.31 120.04 1ssq h LEU 98 Ca 0.10 -0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.49 1ssq h LEU 98 Cb 0.01 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 40.93 1ssq h LEU 98 CO -0.02 0.36 -1.59 -0.07 -0.34 0.00 0.00 178.44 176.78 1ssq h LEU 99 N 0.60 0.53 -0.20 2.25 3.38 -0.81 -3.44 115.31 117.62 1ssq h LEU 99 Ca 0.18 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1ssq h LEU 99 Cb -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1ssq h LEU 99 CO -0.06 1.60 0.00 -1.22 0.09 0.00 0.00 178.44 178.85 1ssq n TYR 100 N -3.54 0.00 -3.12 1.13 4.02 0.28 -5.01 117.16 110.92 1ssq n TYR 100 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.27 1ssq n TYR 100 Cb 1.06 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.32 1ssq n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ssq s LEU 101 N -1.05 4.67 0.51 7.72 1.43 -1.08 -4.91 118.68 125.97 1ssq s LEU 101 Ca 0.00 -0.58 0.16 0.00 -1.03 0.00 0.00 54.13 52.68 1ssq s LEU 101 Cb 0.00 -2.61 1.23 0.00 0.03 0.00 0.00 46.19 44.85 1ssq s LEU 101 CO 0.00 -0.84 2.13 0.07 0.23 0.00 0.00 176.35 177.94 1ssq h LYS 102 N 8.94 0.01 -0.00 1.70 2.10 -1.88 -1.22 116.57 126.22 1ssq h LYS 102 Ca -0.26 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1ssq h LYS 102 Cb 1.09 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1ssq h LYS 102 CO 0.93 0.03 0.00 0.78 -2.00 0.00 0.00 179.45 179.19 1ssq h GLY 103 N 0.07 0.00 1.07 0.07 0.00 -1.79 0.15 103.07 102.64 1ssq h GLY 103 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ssq h GLY 103 CO 0.00 0.00 0.41 -2.75 0.00 0.00 0.00 176.54 174.20 1ssq h PHE 104 N 0.00 1.20 -0.83 5.60 3.57 -1.55 -1.25 116.94 123.69 1ssq h PHE 104 Ca 0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1ssq h PHE 104 Cb 0.00 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 1ssq h PHE 104 CO -0.08 0.86 0.43 0.45 -2.23 0.00 0.00 178.31 177.74 1ssq h HIS 105 N 1.19 1.15 -0.53 0.41 3.86 -0.80 -2.49 115.15 117.95 1ssq h HIS 105 Ca 0.29 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1ssq h HIS 105 Cb 0.11 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1ssq h HIS 105 CO 0.01 0.81 0.24 0.00 0.86 0.00 0.00 177.93 179.85 1ssq h ALA 106 N 1.31 0.68 -0.22 2.45 0.00 -0.25 -0.32 119.26 122.91 1ssq h ALA 106 Ca 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ssq h ALA 106 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ssq h ALA 106 CO -0.04 0.26 0.09 0.82 0.00 0.00 0.00 179.25 180.38 1ssq h ILE 107 N 0.70 1.16 0.00 0.00 2.04 -0.94 -0.52 117.51 119.96 1ssq h ILE 107 Ca 0.18 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 1ssq h ILE 107 Cb 0.15 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ssq h ILE 107 CO -0.02 0.16 -0.45 1.56 0.00 0.00 0.00 178.15 179.40 1ssq h GLN 108 N 0.20 0.00 -0.41 2.37 1.08 -1.36 -1.98 115.11 115.00 1ssq h GLN 108 Ca 0.07 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 1ssq h GLN 108 Cb 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1ssq h GLN 108 CO -0.01 0.45 -0.31 0.77 -0.95 0.00 0.00 178.83 178.79 1ssq h SER 109 N 0.00 0.98 -0.55 1.46 0.02 -0.84 -2.39 113.55 112.23 1ssq h SER 109 Ca -0.00 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1ssq h SER 109 Cb 0.83 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1ssq h SER 109 CO 0.06 1.21 0.37 0.22 -1.14 0.00 0.00 176.83 177.55 1ssq h TYR 110 N 0.76 0.65 0.00 3.45 3.20 -0.57 -0.75 116.97 123.72 1ssq h TYR 110 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1ssq h TYR 110 Cb 0.89 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1ssq h TYR 110 CO 0.06 0.40 -0.08 0.00 -1.64 0.00 0.00 178.16 176.90 1ssq h ARG 111 N 0.69 0.00 0.06 1.82 3.08 -0.86 0.19 114.38 119.37 1ssq h ARG 111 Ca 0.21 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.02 1ssq h ARG 111 Cb 0.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ssq h ARG 111 CO -0.05 0.08 -1.01 0.82 -1.07 0.00 0.00 179.97 178.73 1ssq h ILE 112 N 0.00 1.33 -0.04 2.04 2.04 -0.97 -1.79 117.51 120.12 1ssq h ILE 112 Ca -0.00 -2.32 -0.10 0.00 1.00 0.00 0.00 64.86 63.44 1ssq h ILE 112 Cb 0.14 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1ssq h ILE 112 CO 0.01 0.70 -0.45 0.71 0.00 0.00 0.00 178.15 179.12 1ssq h THR 113 N 0.17 1.33 -0.26 -0.27 1.35 -0.70 -0.52 112.91 113.99 1ssq h THR 113 Ca -0.14 -1.58 -0.04 0.00 -0.55 0.00 0.00 66.41 64.09 1ssq h THR 113 Cb 1.70 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.92 1ssq h THR 113 CO 0.20 0.46 0.02 -0.74 -0.25 0.00 0.00 175.52 175.21 1ssq h HIS 114 N 0.07 0.48 -0.23 4.73 -0.00 -0.64 0.97 115.15 120.53 1ssq h HIS 114 Ca 0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1ssq h HIS 114 Cb 0.83 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 1ssq h HIS 114 CO 0.01 0.58 0.10 -0.92 -0.00 0.00 0.00 177.93 177.70 1ssq h TYR 115 N 0.25 0.19 -0.41 5.26 3.20 -1.02 -1.53 116.97 122.91 1ssq h TYR 115 Ca 0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1ssq h TYR 115 Cb 0.37 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1ssq h TYR 115 CO 0.03 0.10 0.21 -0.07 -1.64 0.00 0.00 178.16 176.79 1ssq h LEU 116 N 0.23 0.53 -1.26 2.82 3.38 -0.99 -1.74 115.31 118.28 1ssq h LEU 116 Ca 0.10 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1ssq h LEU 116 Cb 0.04 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1ssq h LEU 116 CO -0.08 0.49 0.54 -0.25 0.09 0.00 0.00 178.44 179.23 1ssq h TRP 117 N 0.53 0.91 -0.14 1.13 2.91 -0.53 -0.41 115.95 120.35 1ssq h TRP 117 Ca 0.14 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1ssq h TRP 117 Cb 0.09 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.44 1ssq h TRP 117 CO -0.02 0.47 0.00 0.09 -1.03 0.00 0.00 178.44 177.95 1ssq n ASN 118 N -4.49 1.30 -1.00 2.65 3.02 -0.60 -3.09 115.26 113.05 1ssq n ASN 118 Ca 0.13 -1.68 0.07 0.00 -0.03 0.00 0.00 54.58 53.06 1ssq n ASN 118 Cb 0.23 -0.09 0.26 0.00 -0.61 0.00 0.00 39.78 39.57 1ssq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ssq n GLN 119 N 0.09 2.93 -2.90 3.52 1.13 -0.29 -4.95 117.38 116.91 1ssq n GLN 119 Ca 0.15 -2.90 -0.19 0.00 -1.94 0.00 0.00 57.00 52.12 1ssq n GLN 119 Cb 0.26 -1.88 0.03 0.00 0.11 0.00 0.00 30.24 28.77 1ssq n GLN 119 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ssq n ASN 120 N -0.51 -5.54 -3.02 1.08 5.15 -1.16 -4.93 115.26 106.32 1ssq n ASN 120 Ca 0.23 -0.24 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 1ssq n ASN 120 Cb 0.94 -4.38 -0.04 0.00 -0.53 0.00 0.00 39.78 35.77 1ssq n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ssq n ARG 121 N -3.57 2.82 -0.12 1.20 1.74 -0.45 -4.90 116.66 113.38 1ssq n ARG 121 Ca -0.10 -4.62 -0.05 0.00 -0.77 0.00 0.00 57.85 52.31 1ssq n ARG 121 Cb 0.61 -2.15 0.03 0.00 -1.02 0.00 0.00 32.46 29.93 1ssq n ARG 121 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1ssq h LYS 122 N 3.10 0.29 0.24 5.56 3.64 -1.84 0.90 116.57 128.45 1ssq h LYS 122 Ca 0.13 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ssq h LYS 122 Cb 0.59 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1ssq h LYS 122 CO 0.77 0.20 -0.29 0.77 -2.27 0.00 0.00 179.45 178.62 1ssq h SER 123 N 0.30 -0.81 -0.96 4.20 0.02 -1.96 -0.02 113.55 114.33 1ssq h SER 123 Ca 0.19 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1ssq h SER 123 Cb 0.18 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1ssq h SER 123 CO -0.19 -0.41 0.63 0.25 -1.14 0.00 0.00 176.83 175.97 1ssq h LEU 124 N -0.58 1.04 -0.99 5.07 5.85 -1.95 0.12 115.31 123.88 1ssq h LEU 124 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1ssq h LEU 124 Cb 0.56 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ssq h LEU 124 CO -0.10 0.72 0.05 0.00 -0.34 0.00 0.00 178.44 178.77 1ssq h ALA 125 N 1.44 1.17 -0.04 1.25 0.00 -0.03 0.10 119.26 123.15 1ssq h ALA 125 Ca 0.38 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1ssq h ALA 125 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ssq h ALA 125 CO -0.12 0.55 -0.81 -0.07 0.00 0.00 0.00 179.25 178.81 1ssq h LEU 126 N 0.75 0.42 -0.15 0.00 3.38 -0.13 0.87 115.31 120.44 1ssq h LEU 126 Ca 0.15 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ssq h LEU 126 Cb 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ssq h LEU 126 CO 0.01 1.06 0.07 0.22 0.09 0.00 0.00 178.44 179.89 1ssq h TYR 127 N 0.21 0.22 0.00 1.13 3.20 -0.46 -2.07 116.97 119.21 1ssq h TYR 127 Ca -0.04 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 1ssq h TYR 127 Cb 1.40 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 1ssq h TYR 127 CO 0.04 0.27 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.44 1ssq h LEU 128 N 0.11 0.00 -0.60 2.82 3.38 -0.86 -1.50 115.31 118.66 1ssq h LEU 128 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ssq h LEU 128 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1ssq h LEU 128 CO -0.01 0.32 0.40 -0.61 0.09 0.00 0.00 178.44 178.64 1ssq h GLN 129 N 0.00 0.79 -0.33 1.13 4.15 -0.46 -0.07 115.11 120.33 1ssq h GLN 129 Ca -0.00 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1ssq h GLN 129 Cb 0.78 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1ssq h GLN 129 CO 0.04 0.52 -0.34 -0.97 -1.93 0.00 0.00 178.83 176.16 1ssq h ASN 130 N 0.82 0.86 -0.74 -0.69 -1.24 -1.07 -1.94 115.58 111.57 1ssq h ASN 130 Ca 0.22 -0.47 0.08 0.00 0.71 0.00 0.00 56.30 56.84 1ssq h ASN 130 Cb -0.09 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 38.65 1ssq h ASN 130 CO -0.05 1.16 0.41 1.56 -1.29 0.00 0.00 177.43 179.22 1ssq h GLN 131 N 0.58 0.70 -0.46 6.67 1.08 -0.91 -0.80 115.11 121.97 1ssq h GLN 131 Ca 0.05 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1ssq h GLN 131 Cb 0.92 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1ssq h GLN 131 CO 0.08 0.46 -0.04 0.82 -0.95 0.00 0.00 178.83 179.20 1ssq h ILE 132 N 0.72 1.25 0.00 2.54 2.04 -0.93 0.26 117.51 123.39 1ssq h ILE 132 Ca 0.35 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 1ssq h ILE 132 Cb 0.29 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ssq h ILE 132 CO -0.22 0.37 -0.38 -1.28 0.00 0.00 0.00 178.15 176.64 1ssq h SER 133 N 0.72 0.00 0.07 1.72 0.87 -0.52 -1.98 113.55 114.44 1ssq h SER 133 Ca 0.13 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 1ssq h SER 133 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1ssq h SER 133 CO 0.03 0.38 -0.80 0.58 -0.53 0.00 0.00 176.83 176.48 1ssq h VAL 134 N 0.00 1.37 -0.06 2.23 2.07 -0.68 -1.42 116.25 119.77 1ssq h VAL 134 Ca -0.00 -2.39 -0.23 0.00 0.82 0.00 0.00 66.70 64.90 1ssq h VAL 134 Cb 0.70 2.97 0.01 0.00 -1.52 0.00 0.00 31.29 33.45 1ssq h VAL 134 CO 0.05 0.62 -0.88 0.00 0.02 0.00 0.00 177.57 177.38 1ssq h ALA 135 N -0.07 0.35 -0.00 1.67 0.00 -0.56 -3.37 119.26 117.28 1ssq h ALA 135 Ca -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1ssq h ALA 135 Cb 1.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ssq h ALA 135 CO 0.02 0.74 -0.11 1.19 0.00 0.00 0.00 179.25 181.09 1ssq n PHE 136 N -3.84 0.00 -2.06 0.00 0.99 -0.75 -5.02 117.46 106.79 1ssq n PHE 136 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.23 1ssq n PHE 136 Cb 0.80 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.26 1ssq n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1ssq n ASP 137 N -0.44 -4.48 -4.09 4.37 8.00 -0.53 -4.61 116.55 114.77 1ssq n ASP 137 Ca 0.02 0.08 -0.26 0.00 0.71 0.00 0.00 54.79 55.34 1ssq n ASP 137 Cb 0.10 -3.53 -0.16 0.00 -0.02 0.00 0.00 41.12 37.50 1ssq n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ssq s VAL 138 N -2.67 1.39 -0.24 2.53 1.01 -1.24 -1.34 120.40 119.85 1ssq s VAL 138 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1ssq s VAL 138 Cb 0.00 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.20 1ssq s VAL 138 CO 0.00 0.41 -0.13 -0.62 0.00 0.00 0.00 175.10 174.76 1ssq s ASP 139 N 0.40 4.08 -0.14 3.32 3.68 -0.44 -2.76 116.67 124.81 1ssq s ASP 139 Ca -0.12 -1.20 0.01 0.00 2.13 0.00 0.00 52.55 53.37 1ssq s ASP 139 Cb -0.15 -1.50 0.02 0.00 -1.45 0.00 0.00 42.92 39.85 1ssq s ASP 139 CO 0.04 -0.15 -0.14 -0.63 0.13 0.00 0.00 175.17 174.42 1ssq s ILE 140 N 1.17 1.55 0.30 4.11 1.01 -1.26 -0.75 121.20 127.34 1ssq s ILE 140 Ca -0.05 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 1ssq s ILE 140 Cb -0.18 -1.45 -0.11 0.00 0.01 0.00 0.00 42.46 40.73 1ssq s ILE 140 CO -0.07 0.46 1.50 -2.28 0.00 0.00 0.00 174.94 174.55 1ssq s HIS 141 N 1.37 2.82 0.60 3.97 5.65 -0.50 -4.87 115.29 124.34 1ssq s HIS 141 Ca 0.02 0.99 0.29 0.00 0.25 0.00 0.00 55.06 56.62 1ssq s HIS 141 Cb -0.13 -3.95 1.58 0.00 -1.18 0.00 0.00 32.58 28.89 1ssq s HIS 141 CO -0.08 -3.04 1.97 -1.35 -0.65 0.00 0.00 174.74 171.59 1ssq h PRO 142 N 4.36 0.00 -0.07 2.88 0.11 -1.89 -1.82 132.00 135.57 1ssq h PRO 142 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ssq h PRO 142 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ssq h PRO 142 CO 0.74 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 1ssq n ALA 143 N -2.26 2.57 -1.69 -0.75 0.00 -1.26 -4.12 120.51 113.00 1ssq n ALA 143 Ca 0.04 -0.40 -0.35 0.00 0.00 0.00 0.00 53.44 52.73 1ssq n ALA 143 Cb 0.50 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.78 1ssq n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssq s ALA 144 N -1.92 2.53 -0.30 0.00 0.00 -0.69 -4.77 121.76 116.62 1ssq s ALA 144 Ca 0.36 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 53.15 1ssq s ALA 144 Cb 0.19 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1ssq s ALA 144 CO 0.29 -1.15 0.08 0.15 0.00 0.00 0.00 175.76 175.14 1ssq s LYS 145 N -3.47 3.07 -0.04 0.00 1.02 -0.62 -5.01 119.74 114.69 1ssq s LYS 145 Ca 0.75 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 55.91 1ssq s LYS 145 Cb -0.27 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1ssq s LYS 145 CO 0.34 -0.45 -0.17 0.42 -0.92 0.00 0.00 175.35 174.57 1ssq s ILE 146 N 1.49 1.38 0.00 2.17 1.01 -1.26 -0.56 121.20 125.43 1ssq s ILE 146 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1ssq s ILE 146 Cb -0.17 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1ssq s ILE 146 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1ssq n GLY 147 N 3.04 1.30 3.69 6.18 0.00 -0.52 -4.98 105.19 113.90 1ssq n GLY 147 Ca -0.17 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1ssq n GLY 147 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ssq s HIS 148 N 1.34 2.58 -0.65 1.61 -3.43 -1.26 -4.68 115.29 110.79 1ssq s HIS 148 Ca 0.00 -0.60 -0.00 0.00 -0.80 0.00 0.00 55.06 53.66 1ssq s HIS 148 Cb 0.00 -1.87 0.00 0.00 -1.43 0.00 0.00 32.58 29.28 1ssq s HIS 148 CO 0.00 0.29 0.02 0.41 -2.00 0.00 0.00 174.74 173.46 1ssq n GLY 149 N -1.14 0.07 3.86 -1.38 0.00 -1.26 -1.28 105.19 104.06 1ssq n GLY 149 Ca -0.02 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1ssq n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ssq s ILE 150 N -2.42 5.32 -0.10 -0.61 -1.09 -1.26 -3.32 121.20 117.72 1ssq s ILE 150 Ca 0.01 0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.91 1ssq s ILE 150 Cb -0.00 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1ssq s ILE 150 CO 0.01 0.59 -0.13 -0.32 -1.23 0.00 0.00 174.94 173.86 1ssq s MET 151 N -0.98 2.03 -0.76 2.79 -2.45 -0.71 -4.69 119.30 114.52 1ssq s MET 151 Ca 0.18 -0.49 -0.02 0.00 -1.25 0.00 0.00 55.69 54.11 1ssq s MET 151 Cb -0.14 -1.77 0.19 0.00 1.25 0.00 0.00 34.83 34.36 1ssq s MET 151 CO 0.08 -0.09 0.61 -0.06 1.05 0.00 0.00 175.02 176.61 1ssq s PHE 152 N 1.07 3.65 0.07 4.11 2.99 -1.25 0.42 117.98 129.04 1ssq s PHE 152 Ca -0.05 -2.87 -0.31 0.00 0.00 0.00 0.00 56.93 53.69 1ssq s PHE 152 Cb -0.15 -3.22 -0.06 0.00 0.00 0.00 0.00 43.02 39.60 1ssq s PHE 152 CO -0.02 -0.78 1.26 0.34 -0.00 0.00 0.00 175.22 176.02 1ssq s ASP 153 N 0.23 7.00 0.00 1.36 2.15 -0.93 -3.89 116.67 122.59 1ssq s ASP 153 Ca 0.22 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.30 1ssq s ASP 153 Cb -0.13 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1ssq s ASP 153 CO -0.08 -0.54 0.00 1.41 -0.17 0.00 0.00 175.17 175.79 1ssq n HIS 154 N 4.06 0.00 0.00 -5.34 8.25 -1.26 -3.12 115.22 117.80 1ssq n HIS 154 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1ssq n HIS 154 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1ssq n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ssq n ALA 155 N 0.00 0.00 -1.65 -1.41 0.00 -1.25 -4.49 120.51 111.71 1ssq n ALA 155 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.94 1ssq n ALA 155 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1ssq n ALA 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ssq n THR 156 N -1.66 0.13 -0.61 0.00 -1.04 -1.26 -1.78 114.28 108.06 1ssq n THR 156 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1ssq n THR 156 Cb 0.00 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 1ssq n THR 156 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssq n GLY 157 N 3.33 0.79 3.77 3.41 0.00 -0.45 -0.97 105.19 115.07 1ssq n GLY 157 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1ssq n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ssq s ILE 158 N -3.08 3.28 -0.04 -0.61 1.01 -0.74 -4.11 121.20 116.91 1ssq s ILE 158 Ca 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.81 1ssq s ILE 158 Cb 0.00 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1ssq s ILE 158 CO 0.00 0.19 0.02 -0.69 0.00 0.00 0.00 174.94 174.45 1ssq s VAL 159 N -1.32 0.14 -0.12 2.92 1.01 -0.77 -1.33 120.40 120.94 1ssq s VAL 159 Ca 0.51 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1ssq s VAL 159 Cb -0.31 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1ssq s VAL 159 CO 0.40 0.17 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 1ssq s VAL 160 N 1.48 1.48 0.87 2.92 1.01 0.07 -0.74 120.40 127.49 1ssq s VAL 160 Ca -0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1ssq s VAL 160 Cb -0.13 -1.37 0.13 0.00 0.00 0.00 0.00 36.38 35.01 1ssq s VAL 160 CO -0.03 0.44 1.24 -0.83 0.00 0.00 0.00 175.10 175.92 1ssq s GLY 161 N 1.15 1.67 0.30 4.51 0.00 -0.48 -1.40 107.32 113.05 1ssq s GLY 161 Ca -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 43.87 1ssq s GLY 161 CO -0.04 -0.27 1.73 -2.09 0.00 0.00 0.00 173.10 172.43 1ssq h GLU 162 N -1.29 0.53 -0.58 2.90 4.81 -1.90 -2.19 114.58 116.85 1ssq h GLU 162 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1ssq h GLU 162 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ssq h GLU 162 CO 0.55 0.35 0.00 0.25 -0.73 0.00 0.00 179.01 179.43 1ssq n THR 163 N -4.92 0.95 -1.65 0.32 -2.24 -1.26 -3.40 114.28 102.07 1ssq n THR 163 Ca 0.23 -0.97 -0.36 0.00 -2.27 0.00 0.00 64.05 60.67 1ssq n THR 163 Cb 0.63 0.55 0.07 0.00 -2.10 0.00 0.00 70.33 69.48 1ssq n THR 163 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ssq s SER 164 N -1.03 4.49 -0.05 3.42 0.01 -0.83 -4.65 113.70 115.06 1ssq s SER 164 Ca 0.40 2.52 0.00 0.00 1.31 0.00 0.00 55.95 60.19 1ssq s SER 164 Cb 0.21 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.86 1ssq s SER 164 CO 0.28 -2.07 -0.04 -0.69 0.41 0.00 0.00 173.24 171.13 1ssq s VAL 165 N -1.60 0.53 -0.13 3.43 1.01 -0.81 -1.59 120.40 121.23 1ssq s VAL 165 Ca 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1ssq s VAL 165 Cb -0.34 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1ssq s VAL 165 CO 0.41 0.24 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 1ssq s ILE 166 N 1.17 1.44 0.76 2.22 1.01 0.27 -0.63 121.20 127.44 1ssq s ILE 166 Ca -0.07 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1ssq s ILE 166 Cb -0.14 -1.36 0.17 0.00 0.01 0.00 0.00 42.46 41.14 1ssq s ILE 166 CO -0.01 0.44 1.04 -0.62 0.00 0.00 0.00 174.94 175.78 1ssq n GLU 167 N 4.71 -0.67 -1.64 2.79 1.02 -0.14 -1.44 120.64 125.27 1ssq n GLU 167 Ca -0.16 -2.04 -0.34 0.00 -0.02 0.00 0.00 57.16 54.60 1ssq n GLU 167 Cb 0.50 -0.94 0.07 0.00 -0.02 0.00 0.00 31.44 31.05 1ssq n GLU 167 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ssq s ASN 168 N -4.95 4.67 -1.63 1.62 0.01 -1.26 -3.67 114.94 109.73 1ssq s ASN 168 Ca 0.62 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 55.01 1ssq s ASN 168 Cb -0.02 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1ssq s ASN 168 CO 0.43 -1.94 0.00 0.47 -1.51 0.00 0.00 177.10 174.55 1ssq n ASP 169 N -2.43 -4.99 -4.79 -1.22 8.00 -0.40 -1.81 116.55 108.91 1ssq n ASP 169 Ca 0.12 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.46 1ssq n ASP 169 Cb 0.51 -4.02 -0.06 0.00 -0.02 0.00 0.00 41.12 37.53 1ssq n ASP 169 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ssq s VAL 170 N -2.72 4.63 -0.11 2.53 1.01 -1.24 -3.44 120.40 121.07 1ssq s VAL 170 Ca 0.00 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.40 1ssq s VAL 170 Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1ssq s VAL 170 CO 0.00 0.52 -0.17 -0.44 0.00 0.00 0.00 175.10 175.01 1ssq s SER 171 N -0.96 3.67 -0.01 3.32 0.01 -0.77 -1.73 113.70 117.22 1ssq s SER 171 Ca 0.32 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.21 1ssq s SER 171 Cb -0.21 -1.42 -0.00 0.00 0.21 0.00 0.00 66.02 64.60 1ssq s SER 171 CO 0.21 0.19 -0.09 -0.63 0.41 0.00 0.00 173.24 173.33 1ssq s ILE 172 N 0.21 0.75 0.48 1.44 1.01 0.17 -1.03 121.20 124.23 1ssq s ILE 172 Ca -0.11 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1ssq s ILE 172 Cb -0.16 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.72 1ssq s ILE 172 CO 0.06 0.22 0.50 0.18 0.00 0.00 0.00 174.94 175.90 1ssq n LEU 173 N 3.03 0.00 -4.64 2.97 4.77 -1.11 -2.19 117.00 119.83 1ssq n LEU 173 Ca -0.15 -2.28 -0.39 0.00 -0.03 0.00 0.00 56.01 53.15 1ssq n LEU 173 Cb 0.56 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1ssq n LEU 173 CO 0.25 -0.60 0.64 0.00 -1.33 0.00 0.00 177.39 176.34 1ssq n GLN 174 N -1.81 1.23 -0.92 3.23 0.00 -1.18 -3.21 117.38 114.73 1ssq n GLN 174 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 57.00 57.51 1ssq n GLN 174 Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 30.24 28.56 1ssq n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ssq n GLY 175 N 1.15 0.36 3.75 2.61 0.00 -0.15 -0.45 105.19 112.46 1ssq n GLY 175 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1ssq n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssq s VAL 176 N -1.91 4.70 -0.05 1.61 1.01 -1.20 -4.12 120.40 120.45 1ssq s VAL 176 Ca 0.00 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.63 1ssq s VAL 176 Cb 0.00 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1ssq s VAL 176 CO 0.00 0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.46 1ssq s THR 177 N -0.20 3.09 -0.52 3.92 2.01 -0.42 -1.84 115.64 121.67 1ssq s THR 177 Ca 0.38 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1ssq s THR 177 Cb -0.21 -2.21 0.13 0.00 0.01 0.00 0.00 72.50 70.23 1ssq s THR 177 CO 0.23 0.59 0.27 -0.76 -0.69 0.00 0.00 174.62 174.26 1ssq s LEU 178 N -0.74 4.20 0.00 4.42 1.43 0.09 -0.97 118.68 127.11 1ssq s LEU 178 Ca 0.12 -3.04 0.00 0.00 -1.03 0.00 0.00 54.13 50.18 1ssq s LEU 178 Cb -0.11 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1ssq s LEU 178 CO 0.01 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1ssq n GLY 179 N 3.07 4.54 3.39 -3.19 0.00 0.15 -1.39 105.19 111.76 1ssq n GLY 179 Ca 0.06 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.69 1ssq n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ssq s GLY 180 N -0.90 2.37 0.34 -0.02 0.00 -1.25 -1.36 107.32 106.50 1ssq s GLY 180 Ca 0.00 -1.64 0.08 0.00 0.00 0.00 0.00 44.72 43.16 1ssq s GLY 180 CO 0.00 -1.65 -0.05 -1.08 0.00 0.00 0.00 173.10 170.32 1ssq s THR 181 N -3.40 1.97 0.00 0.90 -1.32 -1.25 -4.73 115.64 107.81 1ssq s THR 181 Ca 0.32 -2.13 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 1ssq s THR 181 Cb 0.03 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 1ssq s THR 181 CO 0.19 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1ssq n GLY 182 N -0.77 -2.12 1.44 6.08 0.00 -1.26 -4.78 105.19 103.78 1ssq n GLY 182 Ca -0.05 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.71 1ssq n GLY 182 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ssq n LYS 183 N -0.85 3.59 -3.91 1.61 -0.00 -1.26 -4.92 118.16 112.42 1ssq n LYS 183 Ca 0.00 -2.34 -0.21 0.00 -0.00 0.00 0.00 58.31 55.77 1ssq n LYS 183 Cb 0.00 -1.93 -0.02 0.00 -0.00 0.00 0.00 35.03 33.08 1ssq n LYS 183 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1ssq s GLU 184 N -2.07 3.35 0.36 -1.58 0.41 -1.26 -5.13 118.70 112.77 1ssq s GLU 184 Ca 0.41 -0.82 -0.01 0.00 -0.41 0.00 0.00 54.97 54.14 1ssq s GLU 184 Cb 0.29 -2.85 0.07 0.00 -1.78 0.00 0.00 34.13 29.86 1ssq s GLU 184 CO 0.16 0.37 0.49 -1.13 -0.49 0.00 0.00 175.26 174.66 1ssq n SER 185 N -1.42 0.57 0.00 -0.19 3.41 -1.26 -5.00 113.62 109.73 1ssq n SER 185 Ca -0.08 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1ssq n SER 185 Cb 0.57 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ssq n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ssq n GLY 186 N 1.31 -1.74 3.64 5.00 0.00 -1.26 -4.88 105.19 107.26 1ssq n GLY 186 Ca 0.08 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1ssq n GLY 186 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ssq s ASP 187 N -3.91 6.61 0.00 1.61 1.11 -1.26 -4.74 116.67 116.10 1ssq s ASP 187 Ca 0.00 1.50 0.00 0.00 0.18 0.00 0.00 52.55 54.23 1ssq s ASP 187 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1ssq s ASP 187 CO 0.00 -1.08 0.48 -2.11 1.18 0.00 0.00 175.17 173.64 1ssq n ARG 188 N 7.31 0.00 -4.37 8.23 1.85 -1.26 -4.64 116.66 123.77 1ssq n ARG 188 Ca 0.16 -0.47 -0.25 0.00 -1.00 0.00 0.00 57.85 56.30 1ssq n ARG 188 Cb 0.46 -0.40 -0.12 0.00 -1.05 0.00 0.00 32.46 31.35 1ssq n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ssq s HIS 189 N 0.00 2.06 0.56 2.89 3.76 -1.26 -3.16 115.29 120.15 1ssq s HIS 189 Ca 0.00 -0.41 -0.20 0.00 -0.15 0.00 0.00 55.06 54.30 1ssq s HIS 189 Cb 0.00 -1.04 -0.06 0.00 1.11 0.00 0.00 32.58 32.59 1ssq s HIS 189 CO 0.00 0.40 1.00 -2.30 -0.85 0.00 0.00 174.74 172.99 1ssq n PRO 190 N 0.39 1.06 -3.83 8.40 -0.02 -0.28 -4.08 135.00 136.64 1ssq n PRO 190 Ca -0.14 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 1ssq n PRO 190 Cb 0.56 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 1ssq n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ssq s LYS 191 N -2.61 1.89 -0.40 -0.52 3.01 -0.49 -1.92 119.74 118.70 1ssq s LYS 191 Ca 0.73 -1.84 -0.17 0.00 -1.01 0.00 0.00 55.97 53.68 1ssq s LYS 191 Cb -0.44 -3.51 0.01 0.00 -1.01 0.00 0.00 37.83 32.88 1ssq s LYS 191 CO 0.49 -1.05 0.41 0.08 0.51 0.00 0.00 175.35 175.80 1ssq s VAL 192 N 1.08 5.12 0.94 3.17 1.01 0.19 -0.99 120.40 130.92 1ssq s VAL 192 Ca 0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 1ssq s VAL 192 Cb -0.22 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.34 1ssq s VAL 192 CO -0.05 -0.32 1.14 -0.13 0.00 0.00 0.00 175.10 175.73 1ssq s ARG 193 N 2.09 0.94 0.63 2.72 1.81 -0.49 -0.96 118.95 125.69 1ssq s ARG 193 Ca 0.12 0.27 -0.19 0.00 -1.72 0.00 0.00 55.73 54.22 1ssq s ARG 193 Cb -0.17 -1.82 -0.02 0.00 -0.45 0.00 0.00 34.95 32.49 1ssq s ARG 193 CO 0.13 -2.33 1.30 -0.85 -0.68 0.00 0.00 175.30 172.87 1ssq n GLU 194 N -3.85 1.21 0.00 3.54 0.28 -1.26 -3.19 120.64 117.36 1ssq n GLU 194 Ca 0.07 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 1ssq n GLU 194 Cb 0.59 -2.53 0.00 0.00 1.43 0.00 0.00 31.44 30.93 1ssq n GLU 194 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ssq n GLY 195 N 0.91 3.00 3.71 -1.84 0.00 -0.75 -0.72 105.19 109.50 1ssq n GLY 195 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1ssq n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ssq n VAL 196 N -2.00 0.60 -4.38 1.61 0.31 -1.19 -4.31 118.33 108.97 1ssq n VAL 196 Ca 0.00 -0.15 -0.34 0.00 -0.01 0.00 0.00 64.34 63.84 1ssq n VAL 196 Cb 0.00 -1.81 -0.13 0.00 -0.91 0.00 0.00 33.84 30.99 1ssq n VAL 196 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1ssq s MET 197 N 0.14 3.50 -0.20 5.55 -1.94 -0.64 -1.85 119.30 123.85 1ssq s MET 197 Ca 0.70 -0.60 -0.04 0.00 -1.71 0.00 0.00 55.69 54.04 1ssq s MET 197 Cb -0.56 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 33.42 1ssq s MET 197 CO 0.43 0.11 -0.05 0.42 -0.01 0.00 0.00 175.02 175.92 1ssq s ILE 198 N 0.68 3.47 0.72 2.53 1.01 -0.20 -0.73 121.20 128.67 1ssq s ILE 198 Ca -0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 1ssq s ILE 198 Cb -0.15 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.79 1ssq s ILE 198 CO 0.02 0.44 1.11 -0.83 0.00 0.00 0.00 174.94 175.68 1ssq s GLY 199 N 1.18 1.96 0.20 6.18 0.00 0.44 -2.74 107.32 114.54 1ssq s GLY 199 Ca 0.02 0.45 -0.32 0.00 0.00 0.00 0.00 44.72 44.87 1ssq s GLY 199 CO -0.01 0.81 1.35 0.00 0.00 0.00 0.00 173.10 175.25 1ssq n ALA 200 N -2.93 0.43 -0.97 3.20 0.00 -1.26 -2.49 120.51 116.48 1ssq n ALA 200 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1ssq n ALA 200 Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1ssq n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ssq n GLY 201 N 2.30 0.88 3.77 0.00 0.00 0.40 -0.40 105.19 112.15 1ssq n GLY 201 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1ssq n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssq s ALA 202 N -3.60 3.30 -0.20 4.61 0.00 -1.04 -3.95 121.76 120.88 1ssq s ALA 202 Ca 0.00 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1ssq s ALA 202 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ssq s ALA 202 CO 0.00 -0.54 -0.15 0.15 0.00 0.00 0.00 175.76 175.22 1ssq s LYS 203 N -2.02 2.54 -0.23 0.00 -0.14 0.37 -1.30 119.74 118.96 1ssq s LYS 203 Ca 0.53 -0.96 -0.02 0.00 -1.36 0.00 0.00 55.97 54.15 1ssq s LYS 203 Cb -0.34 -2.60 0.01 0.00 -1.68 0.00 0.00 37.83 33.22 1ssq s LYS 203 CO 0.44 -0.36 -0.08 0.42 -0.76 0.00 0.00 175.35 175.02 1ssq s ILE 204 N 1.27 2.92 -0.08 2.17 1.01 -0.14 -0.56 121.20 127.79 1ssq s ILE 204 Ca -0.00 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.86 1ssq s ILE 204 Cb -0.16 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 1ssq s ILE 204 CO -0.10 0.32 -0.23 -0.76 0.00 0.00 0.00 174.94 174.18 1ssq s LEU 205 N 1.37 2.17 0.00 2.97 1.43 -0.66 -0.68 118.68 125.29 1ssq s LEU 205 Ca 0.03 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1ssq s LEU 205 Cb -0.15 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1ssq s LEU 205 CO -0.05 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1ssq n GLY 206 N 3.15 1.01 3.31 -3.19 0.00 -0.46 -4.55 105.19 104.45 1ssq n GLY 206 Ca -0.18 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 1ssq n GLY 206 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ssq n ASN 207 N -0.26 4.77 -4.45 1.61 5.15 -1.19 -1.12 115.26 119.78 1ssq n ASN 207 Ca 0.00 -2.93 -0.25 0.00 -0.60 0.00 0.00 54.58 50.80 1ssq n ASN 207 Cb 0.00 -1.67 -0.11 0.00 -0.53 0.00 0.00 39.78 37.47 1ssq n ASN 207 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ssq s ILE 208 N 3.17 2.39 -0.08 -1.44 -4.36 -1.26 -4.93 121.20 114.70 1ssq s ILE 208 Ca 0.49 -2.25 -0.16 0.00 -0.26 0.00 0.00 60.65 58.47 1ssq s ILE 208 Cb 0.05 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 1ssq s ILE 208 CO 0.02 -0.29 0.42 -1.61 0.24 0.00 0.00 174.94 173.71 1ssq s GLU 209 N -3.17 4.17 -0.44 0.37 0.41 -1.26 -1.40 118.70 117.38 1ssq s GLU 209 Ca 0.26 0.37 -0.00 0.00 -0.41 0.00 0.00 54.97 55.18 1ssq s GLU 209 Cb -0.06 -3.36 0.12 0.00 -1.78 0.00 0.00 34.13 29.05 1ssq s GLU 209 CO 0.13 0.37 0.21 0.08 -0.49 0.00 0.00 175.26 175.55 1ssq s VAL 210 N -0.03 3.02 0.66 2.63 1.01 -0.16 -1.37 120.40 126.16 1ssq s VAL 210 Ca 0.23 -2.42 -0.17 0.00 0.00 0.00 0.00 61.98 59.62 1ssq s VAL 210 Cb -0.15 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 1ssq s VAL 210 CO 0.10 -0.71 -0.06 0.61 0.00 0.00 0.00 175.10 175.04 1ssq n GLY 211 N 4.16 -2.99 3.75 4.51 0.00 0.70 -1.39 105.19 113.93 1ssq n GLY 211 Ca 0.02 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1ssq n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ssq s LYS 212 N -1.68 3.15 -1.33 1.61 -2.85 -1.26 -2.81 119.74 114.56 1ssq s LYS 212 Ca 0.56 1.98 0.00 0.00 -1.00 0.00 0.00 55.97 57.51 1ssq s LYS 212 Cb -0.40 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 1ssq s LYS 212 CO 0.67 -1.11 0.00 0.66 0.10 0.00 0.00 175.35 175.67 1ssq n TYR 213 N -1.21 -0.14 -1.48 1.78 4.02 0.11 -0.01 117.16 120.23 1ssq n TYR 213 Ca 0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.69 1ssq n TYR 213 Cb 0.48 -2.68 0.07 0.00 -0.02 0.00 0.00 39.34 37.18 1ssq n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ssq s ALA 214 N -2.01 2.46 -0.12 -0.72 0.00 -1.13 -4.06 121.76 116.19 1ssq s ALA 214 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1ssq s ALA 214 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1ssq s ALA 214 CO 0.00 -1.46 -0.23 0.15 0.00 0.00 0.00 175.76 174.23 1ssq s LYS 215 N -4.81 3.05 -0.20 0.00 3.01 0.10 -1.62 119.74 119.27 1ssq s LYS 215 Ca 0.61 -0.86 -0.05 0.00 -1.01 0.00 0.00 55.97 54.66 1ssq s LYS 215 Cb -0.16 -2.38 -0.02 0.00 -1.01 0.00 0.00 37.83 34.25 1ssq s LYS 215 CO 0.53 0.08 -0.01 0.42 0.51 0.00 0.00 175.35 176.88 1ssq s ILE 216 N 0.58 3.91 0.62 2.17 -1.09 0.09 -1.71 121.20 125.77 1ssq s ILE 216 Ca -0.13 -0.33 -0.18 0.00 -2.23 0.00 0.00 60.65 57.79 1ssq s ILE 216 Cb -0.17 -2.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 1ssq s ILE 216 CO 0.03 0.44 1.18 -0.83 -1.23 0.00 0.00 174.94 174.53 1ssq s GLY 217 N 0.94 2.56 0.48 6.18 0.00 0.37 -0.42 107.32 117.43 1ssq s GLY 217 Ca 0.01 0.88 -0.23 0.00 0.00 0.00 0.00 44.72 45.38 1ssq s GLY 217 CO 0.02 1.26 1.05 0.00 0.00 0.00 0.00 173.10 175.43 1ssq n ALA 218 N -1.88 0.43 -1.36 3.20 0.00 -1.26 -1.88 120.51 117.76 1ssq n ALA 218 Ca 0.13 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 1ssq n ALA 218 Cb 0.50 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 1ssq n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ssq n ASN 219 N 0.06 -3.76 -4.79 0.00 5.03 0.46 -4.75 115.26 107.51 1ssq n ASN 219 Ca 0.10 0.33 -0.35 0.00 0.87 0.00 0.00 54.58 55.52 1ssq n ASN 219 Cb 0.42 -3.40 -0.05 0.00 -1.02 0.00 0.00 39.78 35.73 1ssq n ASN 219 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1ssq s SER 220 N -2.15 6.88 -0.33 6.41 0.01 -0.79 -4.70 113.70 119.04 1ssq s SER 220 Ca 0.00 1.90 -0.01 0.00 1.31 0.00 0.00 55.95 59.15 1ssq s SER 220 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.73 1ssq s SER 220 CO 0.00 -0.40 0.05 -0.69 0.41 0.00 0.00 173.24 172.61 1ssq s VAL 221 N -1.81 2.93 -0.28 3.43 1.01 -0.81 -0.48 120.40 124.40 1ssq s VAL 221 Ca 0.58 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1ssq s VAL 221 Cb -0.17 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1ssq s VAL 221 CO 0.22 -0.31 0.30 -0.69 0.00 0.00 0.00 175.10 174.63 1ssq s VAL 222 N 1.17 5.23 -0.02 2.92 1.01 0.28 0.03 120.40 131.02 1ssq s VAL 222 Ca -0.00 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1ssq s VAL 222 Cb -0.20 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1ssq s VAL 222 CO -0.03 0.18 0.03 0.18 0.00 0.00 0.00 175.10 175.46 1ssq n LEU 223 N 5.23 0.02 -4.43 3.92 4.77 -1.26 -1.66 117.00 123.58 1ssq n LEU 223 Ca -0.11 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 1ssq n LEU 223 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1ssq n LEU 223 CO 0.36 0.00 -0.49 0.20 -1.33 0.00 0.00 177.39 176.13 1ssq s ASN 224 N -1.84 3.37 0.56 -1.43 0.01 -1.26 -4.93 114.94 109.42 1ssq s ASN 224 Ca -0.00 -0.97 -0.20 0.00 -0.71 0.00 0.00 52.86 50.98 1ssq s ASN 224 Cb 0.01 -0.26 -0.06 0.00 0.41 0.00 0.00 41.25 41.35 1ssq s ASN 224 CO 0.05 0.04 0.95 -2.65 -1.51 0.00 0.00 177.10 173.98 1ssq n PRO 225 N -0.28 0.98 -4.10 -0.60 -0.02 -1.26 -4.88 135.00 124.85 1ssq n PRO 225 Ca -0.08 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 1ssq n PRO 225 Cb 0.59 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 1ssq n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ssq s VAL 226 N -1.48 2.11 0.86 -1.45 1.01 -0.47 -4.99 120.40 116.00 1ssq s VAL 226 Ca 0.73 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1ssq s VAL 226 Cb -0.44 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1ssq s VAL 226 CO 0.50 0.32 0.65 -2.65 0.00 0.00 0.00 175.10 173.92 1ssq n PRO 227 N 4.55 -0.07 -1.86 2.72 -0.02 -1.26 -0.22 135.00 138.84 1ssq n PRO 227 Ca -0.18 0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 1ssq n PRO 227 Cb 0.47 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1ssq n PRO 227 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ssq s GLU 228 N -3.60 4.16 0.00 -0.52 2.02 -1.26 -2.29 118.70 117.20 1ssq s GLU 228 Ca 0.63 2.50 0.00 0.00 0.02 0.00 0.00 54.97 58.12 1ssq s GLU 228 Cb -0.26 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1ssq s GLU 228 CO 0.61 -0.49 0.00 0.66 0.02 0.00 0.00 175.26 176.06 1ssq n TYR 229 N 0.86 0.00 -2.22 1.61 4.02 0.98 -4.89 117.16 117.53 1ssq n TYR 229 Ca 0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.65 1ssq n TYR 229 Cb 0.39 -0.70 0.06 0.00 -0.02 0.00 0.00 39.34 39.07 1ssq n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ssq s ALA 230 N -2.34 3.16 -0.16 -0.72 0.00 -0.97 -4.76 121.76 115.96 1ssq s ALA 230 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1ssq s ALA 230 Cb 0.00 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1ssq s ALA 230 CO 0.00 -1.17 -0.18 0.99 0.00 0.00 0.00 175.76 175.40 1ssq s THR 231 N -3.20 1.83 -0.11 0.00 2.01 -1.26 -0.73 115.64 114.19 1ssq s THR 231 Ca 0.58 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 1ssq s THR 231 Cb -0.11 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1ssq s THR 231 CO 0.45 0.50 -0.04 0.00 -0.69 0.00 0.00 174.62 174.84 1ssq s ALA 232 N 1.29 3.04 0.13 7.40 0.00 -0.69 -0.51 121.76 132.42 1ssq s ALA 232 Ca 0.03 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 1ssq s ALA 232 Cb -0.13 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.60 1ssq s ALA 232 CO -0.10 0.42 0.35 0.00 0.00 0.00 0.00 175.76 176.43 1ssq s ALA 233 N -0.32 -0.64 0.00 0.00 0.00 -0.12 -0.48 121.76 120.20 1ssq s ALA 233 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1ssq s ALA 233 Cb -0.12 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1ssq s ALA 233 CO 0.02 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1ssq n GLY 234 N -0.20 1.15 2.79 0.00 0.00 -1.26 -0.82 105.19 106.84 1ssq n GLY 234 Ca -0.14 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 1ssq n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssq s VAL 235 N -2.05 1.17 1.00 1.61 1.01 -1.26 -1.93 120.40 119.95 1ssq s VAL 235 Ca 0.00 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.21 1ssq s VAL 235 Cb 0.00 -1.88 0.19 0.00 0.00 0.00 0.00 36.38 34.69 1ssq s VAL 235 CO 0.00 -0.68 1.08 -2.84 0.00 0.00 0.00 175.10 172.67 1ssq s PRO 236 N 1.41 0.44 0.32 2.72 0.02 -1.26 -5.01 135.00 133.63 1ssq s PRO 236 Ca 0.10 0.78 -0.28 0.00 0.02 0.00 0.00 61.00 61.63 1ssq s PRO 236 Cb -0.18 -1.72 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 1ssq s PRO 236 CO -0.21 -2.79 1.11 0.00 -0.33 0.00 0.00 177.00 174.78 1ssq s ALA 237 N -2.81 3.32 0.15 -1.55 0.00 0.10 -4.81 121.76 116.16 1ssq s ALA 237 Ca 0.65 0.89 0.07 0.00 0.00 0.00 0.00 51.96 53.57 1ssq s ALA 237 Cb -0.20 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1ssq s ALA 237 CO 0.59 -0.24 -0.15 1.03 0.00 0.00 0.00 175.76 176.99 1ssq s ARG 238 N -1.78 1.17 -0.26 0.00 1.81 -0.00 -4.86 118.95 115.03 1ssq s ARG 238 Ca 0.49 -1.37 -0.24 0.00 -1.72 0.00 0.00 55.73 52.88 1ssq s ARG 238 Cb -0.30 -1.07 -0.00 0.00 -0.45 0.00 0.00 34.95 33.12 1ssq s ARG 238 CO 0.39 0.20 0.81 0.42 -0.68 0.00 0.00 175.30 176.44 1ssq s ILE 239 N -2.34 4.83 -0.48 1.52 -1.09 -1.26 -0.95 121.20 121.43 1ssq s ILE 239 Ca 0.14 1.46 -0.19 0.00 -2.23 0.00 0.00 60.65 59.84 1ssq s ILE 239 Cb -0.04 -4.12 0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1ssq s ILE 239 CO 0.05 -0.11 0.57 -0.69 -1.23 0.00 0.00 174.94 173.53 1ssq s VAL 240 N 2.86 4.94 -2.00 2.92 1.01 0.33 -5.00 120.40 125.46 1ssq s VAL 240 Ca 0.34 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1ssq s VAL 240 Cb -0.15 -4.23 0.22 0.00 0.00 0.00 0.00 36.38 32.22 1ssq s VAL 240 CO 0.09 -0.70 0.91 -1.54 0.00 0.00 0.00 175.10 173.86