#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 4.31 0.12 6.12 6.94 -1.26 -4.37 115.26 127.13 1ssq n ASN 2 Ca 0.00 -2.36 -0.02 0.00 -0.02 0.00 0.00 54.58 52.18 1ssq n ASN 2 Cb 0.00 -0.51 0.10 0.00 -2.36 0.00 0.00 39.78 37.01 1ssq n ASN 2 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1ssq h LEU 3 N 3.66 0.00 -0.18 -4.53 3.38 -2.02 -3.02 115.31 112.60 1ssq h LEU 3 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ssq h LEU 3 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1ssq h LEU 3 CO 0.16 0.70 0.08 0.44 0.09 0.00 0.00 178.44 179.91 1ssq h ASP 4 N 0.00 0.10 -0.08 -0.43 3.32 -1.99 0.67 116.42 118.01 1ssq h ASP 4 Ca -0.01 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1ssq h ASP 4 Cb 1.27 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 1ssq h ASP 4 CO 0.09 0.09 -0.32 0.58 -1.72 0.00 0.00 179.24 177.95 1ssq h VAL 5 N 0.17 0.29 -0.71 -1.35 2.07 -1.87 -0.16 116.25 114.69 1ssq h VAL 5 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1ssq h VAL 5 Cb 0.03 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1ssq h VAL 5 CO -0.06 0.00 0.47 -0.25 0.02 0.00 0.00 177.57 177.74 1ssq h TRP 6 N -0.43 0.77 -0.70 1.57 -0.00 -1.25 -2.03 115.95 113.89 1ssq h TRP 6 Ca 0.08 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.95 1ssq h TRP 6 Cb 0.55 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.42 1ssq h TRP 6 CO -0.39 0.43 0.29 1.96 -0.00 0.00 0.00 178.44 180.73 1ssq h GLN 7 N 0.78 1.04 -0.31 2.65 1.08 0.16 -0.49 115.11 120.02 1ssq h GLN 7 Ca 0.30 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1ssq h GLN 7 Cb 0.18 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1ssq h GLN 7 CO -0.09 0.86 0.19 0.45 -0.95 0.00 0.00 178.83 179.28 1ssq h HIS 8 N 1.00 0.41 -0.58 2.96 3.86 -0.37 -1.79 115.15 120.64 1ssq h HIS 8 Ca 0.24 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1ssq h HIS 8 Cb 0.20 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1ssq h HIS 8 CO 0.01 0.30 0.20 0.82 0.86 0.00 0.00 177.93 180.12 1ssq h ILE 9 N 0.40 1.24 -0.51 2.45 2.04 -1.03 -0.07 117.51 122.03 1ssq h ILE 9 Ca 0.11 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 1ssq h ILE 9 Cb 0.01 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1ssq h ILE 9 CO -0.02 0.30 0.01 0.03 0.00 0.00 0.00 178.15 178.46 1ssq h ARG 10 N 0.81 0.85 -0.49 2.37 3.08 -1.00 0.48 114.38 120.48 1ssq h ARG 10 Ca 0.19 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1ssq h ARG 10 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1ssq h ARG 10 CO -0.01 0.85 0.08 0.37 -1.07 0.00 0.00 179.97 180.19 1ssq h GLN 11 N 0.80 0.80 -0.27 0.04 4.15 -0.79 -2.32 115.11 117.52 1ssq h GLN 11 Ca 0.15 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1ssq h GLN 11 Cb 0.46 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1ssq h GLN 11 CO 0.02 0.81 0.07 0.93 -1.93 0.00 0.00 178.83 178.72 1ssq h GLU 12 N 0.68 0.44 -0.65 1.69 5.08 -0.68 -3.20 114.58 117.94 1ssq h GLU 12 Ca 0.15 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1ssq h GLU 12 Cb 0.39 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 1ssq h GLU 12 CO 0.01 0.53 0.07 0.00 -1.00 0.00 0.00 179.01 178.62 1ssq h ALA 13 N 0.89 0.72 -0.38 3.43 0.00 -0.67 0.27 119.26 123.53 1ssq h ALA 13 Ca 0.09 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ssq h ALA 13 Cb 0.28 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ssq h ALA 13 CO 0.00 -0.36 0.24 0.87 0.00 0.00 0.00 179.25 180.00 1ssq h LYS 14 N 0.18 0.48 -0.08 0.00 1.57 -1.42 -0.49 116.57 116.81 1ssq h LYS 14 Ca 0.35 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1ssq h LYS 14 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1ssq h LYS 14 CO -0.50 0.32 -0.63 0.93 -0.57 0.00 0.00 179.45 179.00 1ssq h GLU 15 N 0.49 0.30 -0.71 3.15 4.39 -1.38 -2.38 114.58 118.45 1ssq h GLU 15 Ca 0.14 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1ssq h GLU 15 Cb -0.04 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1ssq h GLU 15 CO -0.04 0.83 0.21 -0.07 -1.16 0.00 0.00 179.01 178.78 1ssq h LEU 16 N 0.22 1.03 -1.12 1.33 4.07 -0.23 -1.83 115.31 118.79 1ssq h LEU 16 Ca -0.01 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 1ssq h LEU 16 Cb 1.15 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1ssq h LEU 16 CO 0.10 0.97 -0.33 0.00 -1.08 0.00 0.00 178.44 178.11 1ssq h ALA 17 N 1.10 1.26 -0.31 1.53 0.00 -0.94 -1.60 119.26 120.31 1ssq h ALA 17 Ca 0.23 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1ssq h ALA 17 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ssq h ALA 17 CO -0.01 0.51 -0.36 1.49 0.00 0.00 0.00 179.25 180.88 1ssq h GLU 18 N 0.18 0.69 0.05 0.00 4.81 -1.03 -3.31 114.58 115.96 1ssq h GLU 18 Ca 0.02 -0.34 -0.27 0.00 -0.13 0.00 0.00 59.36 58.65 1ssq h GLU 18 Cb 0.67 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1ssq h GLU 18 CO 0.05 0.94 -1.41 -0.91 -0.73 0.00 0.00 179.01 176.96 1ssq h ASN 19 N 0.58 0.16 -3.89 1.04 4.21 -0.95 -3.41 115.58 113.31 1ssq h ASN 19 Ca 0.06 -0.23 -0.63 0.00 1.21 0.00 0.00 56.30 56.70 1ssq h ASN 19 Cb 0.88 -0.05 -0.41 0.00 -1.12 0.00 0.00 38.32 37.61 1ssq h ASN 19 CO 0.08 1.19 -0.61 -0.70 -1.29 0.00 0.00 177.43 176.10 1ssq s GLU 20 N -2.64 2.17 0.34 0.81 2.56 -0.64 -4.96 118.70 116.34 1ssq s GLU 20 Ca -0.05 -2.91 0.11 0.00 0.00 0.00 0.00 54.97 52.13 1ssq s GLU 20 Cb 0.08 -3.36 0.90 0.00 2.00 0.00 0.00 34.13 33.75 1ssq s GLU 20 CO 0.83 -1.18 1.77 -1.35 -0.56 0.00 0.00 175.26 174.78 1ssq h PRO 21 N 6.08 0.58 0.00 4.30 0.11 -1.81 0.93 132.00 142.19 1ssq h PRO 21 Ca 0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1ssq h PRO 21 Cb 0.84 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1ssq h PRO 21 CO 0.70 0.38 -0.07 0.52 -0.21 0.00 0.00 178.00 179.33 1ssq h MET 22 N 0.59 0.00 -0.13 1.05 2.86 -1.93 -2.49 114.93 114.89 1ssq h MET 22 Ca 0.59 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.23 1ssq h MET 22 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1ssq h MET 22 CO -0.37 0.07 0.00 1.28 1.06 0.00 0.00 176.91 178.95 1ssq n LEU 23 N -3.60 2.52 -0.15 1.22 4.77 0.30 -4.75 117.00 117.31 1ssq n LEU 23 Ca -0.02 -1.24 -0.11 0.00 -0.03 0.00 0.00 56.01 54.61 1ssq n LEU 23 Cb 0.18 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1ssq n LEU 23 CO 0.28 0.51 0.54 0.00 -1.33 0.00 0.00 177.39 177.39 1ssq h ALA 24 N 2.97 -0.56 -0.03 -1.18 0.00 -1.13 0.17 119.26 119.49 1ssq h ALA 24 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ssq h ALA 24 Cb 0.68 1.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ssq h ALA 24 CO 0.00 -0.94 -0.11 0.66 0.00 0.00 0.00 179.25 178.87 1ssq h SER 25 N -0.34 0.04 0.13 0.00 4.64 -1.85 0.15 113.55 116.32 1ssq h SER 25 Ca 0.12 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1ssq h SER 25 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1ssq h SER 25 CO -0.61 0.15 -0.06 0.15 -0.87 0.00 0.00 176.83 175.60 1ssq h PHE 26 N 0.04 -0.16 -0.67 4.77 3.57 -1.47 0.46 116.94 123.49 1ssq h PHE 26 Ca 0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1ssq h PHE 26 Cb 0.22 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1ssq h PHE 26 CO 0.00 0.20 0.40 0.74 -2.23 0.00 0.00 178.31 177.43 1ssq h PHE 27 N -0.54 0.75 -0.38 0.41 0.05 0.29 -1.51 116.94 116.01 1ssq h PHE 27 Ca -0.02 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 1ssq h PHE 27 Cb 0.43 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 1ssq h PHE 27 CO 0.04 0.41 -0.00 0.45 -0.18 0.00 0.00 178.31 179.03 1ssq h HIS 28 N 0.78 0.73 0.00 -0.55 3.86 -0.71 0.50 115.15 119.76 1ssq h HIS 28 Ca 0.28 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1ssq h HIS 28 Cb 0.07 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1ssq h HIS 28 CO -0.05 0.76 -0.39 0.77 0.86 0.00 0.00 177.93 179.87 1ssq h SER 29 N 0.49 0.00 0.01 2.45 0.02 -0.63 0.93 113.55 116.82 1ssq h SER 29 Ca 0.11 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.77 1ssq h SER 29 Cb 0.47 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1ssq h SER 29 CO 0.02 0.39 -1.58 0.35 -1.14 0.00 0.00 176.83 174.87 1ssq n THR 30 N -4.03 1.56 -0.01 -2.27 -2.24 -0.59 -4.77 114.28 101.94 1ssq n THR 30 Ca -0.02 -0.17 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1ssq n THR 30 Cb 0.43 -1.97 -0.00 0.00 -2.10 0.00 0.00 70.33 66.69 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 -4.27 0.15 -0.23 2.28 5.41 0.12 -3.81 119.36 119.01 1ssq n ILE 31 Ca -0.36 0.46 0.15 0.00 1.00 0.00 0.00 62.75 64.00 1ssq n ILE 31 Cb 0.76 -1.59 0.45 0.00 -0.71 0.00 0.00 39.64 38.56 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 -0.10 0.51 -0.39 1.39 3.38 -1.36 -0.49 115.31 118.25 1ssq h LEU 32 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ssq h LEU 32 Cb 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ssq h LEU 32 CO 0.00 0.25 0.00 0.07 0.09 0.00 0.00 178.44 178.85 1ssq h LYS 33 N 0.54 0.00 -5.98 1.13 2.10 -1.07 -3.44 116.57 109.84 1ssq h LYS 33 Ca 0.43 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.47 1ssq h LYS 33 Cb 0.87 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.15 1ssq h LYS 33 CO -0.17 0.00 -0.39 -1.01 -2.00 0.00 0.00 179.45 175.88 1ssq s HIS 34 N -3.26 3.53 -1.52 0.07 3.76 -0.19 -4.99 115.29 112.68 1ssq s HIS 34 Ca 0.07 0.50 0.24 0.00 -0.15 0.00 0.00 55.06 55.72 1ssq s HIS 34 Cb 0.09 -1.95 0.39 0.00 1.11 0.00 0.00 32.58 32.23 1ssq s HIS 34 CO 0.55 0.55 1.33 1.04 -0.85 0.00 0.00 174.74 177.37 1ssq n GLN 35 N 0.63 0.60 -3.81 1.40 3.00 -1.26 -4.94 117.38 113.00 1ssq n GLN 35 Ca -0.07 -0.41 -0.09 0.00 -0.01 0.00 0.00 57.00 56.41 1ssq n GLN 35 Cb 0.52 -1.49 -0.07 0.00 0.00 0.00 0.00 30.24 29.20 1ssq n GLN 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ssq s ASN 36 N -2.69 0.04 0.47 1.08 2.20 -1.26 -5.04 114.94 109.74 1ssq s ASN 36 Ca 0.17 -0.56 0.23 0.00 -0.94 0.00 0.00 52.86 51.77 1ssq s ASN 36 Cb 0.18 0.36 1.24 0.00 -2.00 0.00 0.00 41.25 41.04 1ssq s ASN 36 CO 0.63 -0.74 1.88 0.25 -2.94 0.00 0.00 177.10 176.17 1ssq h LEU 37 N 2.73 0.24 -0.56 3.54 5.85 -1.94 -2.48 115.31 122.69 1ssq h LEU 37 Ca -0.34 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1ssq h LEU 37 Cb 1.21 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1ssq h LEU 37 CO 0.54 0.09 0.32 1.23 -0.34 0.00 0.00 178.44 180.28 1ssq h GLY 38 N 0.24 0.80 1.01 3.75 0.00 -1.96 -0.31 103.07 106.60 1ssq h GLY 38 Ca 0.44 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 1ssq h GLY 38 CO -0.11 0.19 0.18 -1.33 0.00 0.00 0.00 176.54 175.46 1ssq h GLY 39 N 0.63 1.02 0.89 4.60 0.00 -1.82 -1.40 103.07 106.99 1ssq h GLY 39 Ca 0.23 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1ssq h GLY 39 CO -0.12 0.58 0.08 0.00 0.00 0.00 0.00 176.54 177.08 1ssq h ALA 40 N 1.05 0.33 -0.36 3.60 0.00 -1.52 -2.61 119.26 119.76 1ssq h ALA 40 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ssq h ALA 40 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ssq h ALA 40 CO -0.00 -0.04 0.06 1.25 0.00 0.00 0.00 179.25 180.51 1ssq h LEU 41 N 0.25 0.57 -0.85 0.00 5.85 -1.01 -0.94 115.31 119.17 1ssq h LEU 41 Ca 0.08 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 1ssq h LEU 41 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ssq h LEU 41 CO -0.00 0.69 -0.10 0.77 -0.34 0.00 0.00 178.44 179.46 1ssq h SER 42 N 0.43 0.74 0.44 1.25 4.64 -1.30 0.23 113.55 119.97 1ssq h SER 42 Ca 0.11 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1ssq h SER 42 Cb 0.36 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ssq h SER 42 CO 0.01 0.87 -0.21 0.22 -0.87 0.00 0.00 176.83 176.84 1ssq h TYR 43 N 0.69 -0.55 0.21 4.77 5.03 -1.28 -2.00 116.97 123.83 1ssq h TYR 43 Ca 0.12 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1ssq h TYR 43 Cb 0.56 0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.02 1ssq h TYR 43 CO 0.03 -0.29 -0.10 -0.07 -1.32 0.00 0.00 178.16 176.41 1ssq h LEU 44 N -0.69 -0.24 -0.85 2.82 3.38 -1.01 -1.74 115.31 116.99 1ssq h LEU 44 Ca -0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ssq h LEU 44 Cb 0.50 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1ssq h LEU 44 CO 0.10 -0.17 0.44 -0.07 0.09 0.00 0.00 178.44 178.83 1ssq h LEU 45 N -0.28 1.08 -0.75 1.67 3.38 -1.01 -0.71 115.31 118.69 1ssq h LEU 45 Ca -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ssq h LEU 45 Cb 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ssq h LEU 45 CO 0.05 0.89 0.45 0.00 0.09 0.00 0.00 178.44 179.92 1ssq h ALA 46 N 1.24 0.95 -0.53 1.53 0.00 -1.30 -0.50 119.26 120.65 1ssq h ALA 46 Ca 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1ssq h ALA 46 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ssq h ALA 46 CO -0.04 0.42 0.12 -0.91 0.00 0.00 0.00 179.25 178.84 1ssq h ASN 47 N 1.02 0.81 0.11 0.00 2.35 -0.73 -2.26 115.58 116.89 1ssq h ASN 47 Ca 0.27 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 1ssq h ASN 47 Cb -0.04 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1ssq h ASN 47 CO -0.05 0.84 -0.37 0.11 -1.65 0.00 0.00 177.43 176.31 1ssq h LYS 48 N 0.75 0.35 -0.16 0.81 1.79 -0.82 -3.13 116.57 116.16 1ssq h LYS 48 Ca 0.17 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ssq h LYS 48 Cb 0.35 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1ssq h LYS 48 CO 0.00 0.67 0.00 1.28 -1.08 0.00 0.00 179.45 180.32 1ssq n LEU 49 N -4.06 2.10 -4.76 2.94 4.77 -0.22 -4.88 117.00 112.89 1ssq n LEU 49 Ca -0.01 -0.83 -0.38 0.00 -0.03 0.00 0.00 56.01 54.75 1ssq n LEU 49 Cb 0.46 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1ssq n LEU 49 CO 0.42 0.42 0.97 0.00 -1.33 0.00 0.00 177.39 177.87 1ssq s ALA 50 N -1.80 2.96 -0.07 -1.18 0.00 -0.86 -4.95 121.76 115.86 1ssq s ALA 50 Ca 0.34 1.27 -0.28 0.00 0.00 0.00 0.00 51.96 53.30 1ssq s ALA 50 Cb 0.19 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1ssq s ALA 50 CO 0.29 -1.16 0.63 1.21 0.00 0.00 0.00 175.76 176.73 1ssq s ASN 51 N -0.93 -0.60 0.54 0.00 2.47 -1.13 -4.93 114.94 110.36 1ssq s ASN 51 Ca 0.67 0.72 0.31 0.00 0.42 0.00 0.00 52.86 54.98 1ssq s ASN 51 Cb -0.39 0.62 1.48 0.00 -1.45 0.00 0.00 41.25 41.51 1ssq s ASN 51 CO 0.47 -0.54 1.90 -0.65 -3.72 0.00 0.00 177.10 174.56 1ssq h PRO 52 N 3.40 0.00 -0.73 0.43 0.11 -1.98 0.13 132.00 133.37 1ssq h PRO 52 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1ssq h PRO 52 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1ssq h PRO 52 CO 0.35 0.00 0.20 0.82 -0.21 0.00 0.00 178.00 179.16 1ssq h ILE 53 N 0.00 1.26 -2.21 4.15 2.04 -2.00 -3.37 117.51 117.38 1ssq h ILE 53 Ca 0.40 -0.95 -0.51 0.00 1.00 0.00 0.00 64.86 64.80 1ssq h ILE 53 Cb 1.64 0.49 -0.35 0.00 -0.74 0.00 0.00 36.82 37.86 1ssq h ILE 53 CO -0.00 0.37 -0.86 -0.32 0.00 0.00 0.00 178.15 177.34 1ssq s MET 54 N -5.34 0.80 0.76 2.37 0.00 0.27 -5.13 119.30 113.03 1ssq s MET 54 Ca -0.12 -1.64 -0.14 0.00 0.00 0.00 0.00 55.69 53.79 1ssq s MET 54 Cb 0.15 -1.14 0.06 0.00 0.00 0.00 0.00 34.83 33.90 1ssq s MET 54 CO 0.85 -1.31 1.21 -2.14 0.00 0.00 0.00 175.02 173.63 1ssq s PRO 55 N 0.58 1.91 0.27 4.11 0.02 -0.11 -2.82 135.00 138.96 1ssq s PRO 55 Ca 0.27 1.78 -0.04 0.00 0.02 0.00 0.00 61.00 63.03 1ssq s PRO 55 Cb -0.06 -1.80 0.54 0.00 0.02 0.00 0.00 34.50 33.20 1ssq s PRO 55 CO -0.11 -2.01 1.61 0.00 -0.33 0.00 0.00 177.00 176.16 1ssq h ALA 56 N -0.55 0.90 -0.18 -1.55 0.00 -1.83 -0.32 119.26 115.73 1ssq h ALA 56 Ca -0.47 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ssq h ALA 56 Cb 1.30 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1ssq h ALA 56 CO 0.48 -0.46 0.10 0.97 0.00 0.00 0.00 179.25 180.34 1ssq h ILE 57 N 0.07 1.06 0.02 0.00 2.10 -1.90 0.33 117.51 119.18 1ssq h ILE 57 Ca 0.48 -0.14 -0.00 0.00 1.08 0.00 0.00 64.86 66.28 1ssq h ILE 57 Cb 0.89 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 1ssq h ILE 57 CO -0.78 0.06 -0.01 0.28 -1.08 0.00 0.00 178.15 176.62 1ssq h SER 58 N 0.24 -0.02 -0.92 2.19 0.02 -1.46 -3.33 113.55 110.27 1ssq h SER 58 Ca 0.06 -0.45 0.16 0.00 -0.84 0.00 0.00 61.79 60.72 1ssq h SER 58 Cb 0.01 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.45 1ssq h SER 58 CO -0.01 0.69 0.51 0.25 -1.14 0.00 0.00 176.83 177.13 1ssq h LEU 59 N -0.99 0.64 -1.31 5.07 6.46 -1.11 -1.85 115.31 122.22 1ssq h LEU 59 Ca -0.00 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 1ssq h LEU 59 Cb 0.48 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1ssq h LEU 59 CO 0.00 0.25 0.50 -0.09 -0.62 0.00 0.00 178.44 178.48 1ssq h ARG 60 N 0.69 0.84 -0.70 1.25 2.43 -1.05 -0.13 114.38 117.71 1ssq h ARG 60 Ca 0.51 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 1ssq h ARG 60 Cb 0.75 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1ssq h ARG 60 CO -0.37 0.56 0.35 0.93 -1.51 0.00 0.00 179.97 179.93 1ssq h GLU 61 N 0.87 1.01 -0.68 0.20 5.08 -1.45 -0.16 114.58 119.45 1ssq h GLU 61 Ca 0.32 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1ssq h GLU 61 Cb 0.16 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1ssq h GLU 61 CO -0.10 0.78 0.34 0.82 -1.00 0.00 0.00 179.01 179.85 1ssq h ILE 62 N 0.98 1.21 -0.18 3.13 2.04 -0.93 -1.55 117.51 122.22 1ssq h ILE 62 Ca 0.24 -0.57 -0.21 0.00 1.00 0.00 0.00 64.86 65.32 1ssq h ILE 62 Cb 0.10 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1ssq h ILE 62 CO -0.03 0.25 -0.70 0.40 0.00 0.00 0.00 178.15 178.06 1ssq h ILE 63 N 0.95 1.28 0.00 -0.67 2.04 -0.79 -2.44 117.51 117.88 1ssq h ILE 63 Ca 0.24 -1.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.11 1ssq h ILE 63 Cb 0.07 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1ssq h ILE 63 CO -0.03 0.60 -0.40 -0.33 0.00 0.00 0.00 178.15 178.00 1ssq h GLU 64 N 0.53 0.00 -0.31 2.37 5.08 -0.78 0.33 114.58 121.80 1ssq h GLU 64 Ca -0.04 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1ssq h GLU 64 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1ssq h GLU 64 CO 0.15 0.40 -0.16 1.49 -1.00 0.00 0.00 179.01 179.88 1ssq h GLU 65 N 0.00 0.65 -0.73 2.33 4.22 -1.17 0.27 114.58 120.15 1ssq h GLU 65 Ca -0.00 -0.29 -0.00 0.00 0.08 0.00 0.00 59.36 59.15 1ssq h GLU 65 Cb 0.73 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1ssq h GLU 65 CO 0.05 0.88 0.45 0.00 -2.18 0.00 0.00 179.01 178.21 1ssq h ALA 66 N 0.75 0.93 -0.24 2.92 0.00 -0.85 -0.52 119.26 122.26 1ssq h ALA 66 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1ssq h ALA 66 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ssq h ALA 66 CO 0.05 0.39 -0.26 1.88 0.00 0.00 0.00 179.25 181.30 1ssq h TYR 67 N 0.99 0.51 -0.57 0.00 0.99 -0.68 0.28 116.97 118.50 1ssq h TYR 67 Ca 0.26 -0.11 -0.08 0.00 2.00 0.00 0.00 58.73 60.80 1ssq h TYR 67 Cb -0.05 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.53 1ssq h TYR 67 CO -0.01 0.68 0.04 0.37 -0.00 0.00 0.00 178.16 179.24 1ssq h GLN 68 N 0.40 0.97 -0.05 4.88 4.15 -0.22 -2.44 115.11 122.79 1ssq h GLN 68 Ca 0.06 -0.29 -0.23 0.00 0.77 0.00 0.00 58.65 58.96 1ssq h GLN 68 Cb 0.67 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.27 1ssq h GLN 68 CO 0.05 0.95 -0.90 0.77 -1.93 0.00 0.00 178.83 177.77 1ssq h SER 69 N 0.86 0.78 -2.75 -0.69 0.02 -0.78 -3.40 113.55 107.59 1ssq h SER 69 Ca 0.17 -0.57 -0.61 0.00 -0.84 0.00 0.00 61.79 59.94 1ssq h SER 69 Cb 0.49 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 62.39 1ssq h SER 69 CO 0.02 1.36 -0.76 -3.20 -1.14 0.00 0.00 176.83 173.12 1ssq n ASN 70 N -3.85 1.46 0.04 3.07 5.15 0.96 -4.96 115.26 117.13 1ssq n ASN 70 Ca -0.08 -2.84 0.13 0.00 -0.60 0.00 0.00 54.58 51.18 1ssq n ASN 70 Cb 0.81 -0.67 0.59 0.00 -0.53 0.00 0.00 39.78 39.98 1ssq n ASN 70 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ssq h PRO 71 N 5.47 0.19 -0.02 1.20 0.11 -1.66 -1.66 132.00 135.63 1ssq h PRO 71 Ca 0.20 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.31 1ssq h PRO 71 Cb 0.82 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ssq h PRO 71 CO 0.56 0.13 0.14 0.66 -0.21 0.00 0.00 178.00 179.28 1ssq h SER 72 N 0.20 0.00 -0.61 -2.05 4.64 -1.93 -0.75 113.55 113.05 1ssq h SER 72 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1ssq h SER 72 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1ssq h SER 72 CO -0.03 0.00 0.31 0.40 -0.87 0.00 0.00 176.83 176.64 1ssq h ILE 73 N 0.00 1.20 -0.01 0.95 2.04 -1.66 0.24 117.51 120.27 1ssq h ILE 73 Ca 0.01 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1ssq h ILE 73 Cb 0.29 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1ssq h ILE 73 CO -0.00 0.24 -0.01 0.40 0.00 0.00 0.00 178.15 178.77 1ssq h ILE 74 N 0.89 1.43 -0.62 -0.67 2.04 -1.33 -2.84 117.51 116.42 1ssq h ILE 74 Ca 0.22 -1.28 0.07 0.00 1.00 0.00 0.00 64.86 64.87 1ssq h ILE 74 Cb 0.08 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 1ssq h ILE 74 CO -0.03 0.34 0.41 0.44 0.00 0.00 0.00 178.15 179.30 1ssq h ASP 75 N -0.51 0.52 -0.72 1.72 3.32 -1.50 -0.72 116.42 118.53 1ssq h ASP 75 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1ssq h ASP 75 Cb 0.55 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1ssq h ASP 75 CO 0.00 0.33 0.27 0.00 -1.72 0.00 0.00 179.24 178.13 1ssq h ALA 77 N 1.13 0.42 -0.33 0.00 0.00 -0.94 -1.56 119.26 117.98 1ssq h ALA 77 Ca 0.24 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1ssq h ALA 77 Cb 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1ssq h ALA 77 CO -0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 179.25 178.96 1ssq h ALA 78 N 1.05 0.01 -0.51 0.00 0.00 -0.79 0.29 119.26 119.32 1ssq h ALA 78 Ca 0.12 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1ssq h ALA 78 Cb 0.05 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ssq h ALA 78 CO -0.02 -0.60 0.19 0.00 0.00 0.00 0.00 179.25 178.82 1ssq h ASP 80 N 0.73 0.87 -0.43 0.00 3.32 -0.37 0.23 116.42 120.77 1ssq h ASP 80 Ca 0.17 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1ssq h ASP 80 Cb 0.17 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1ssq h ASP 80 CO -0.01 0.82 0.04 0.40 -1.72 0.00 0.00 179.24 178.77 1ssq h ILE 81 N 0.91 1.25 -0.67 0.35 2.04 0.19 -2.33 117.51 119.25 1ssq h ILE 81 Ca 0.20 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1ssq h ILE 81 Cb 0.27 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1ssq h ILE 81 CO -0.01 0.33 0.43 1.56 0.00 0.00 0.00 178.15 180.46 1ssq h GLN 82 N 0.59 0.89 -0.63 2.37 4.20 -0.49 -1.18 115.11 120.86 1ssq h GLN 82 Ca 0.13 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1ssq h GLN 82 Cb 0.43 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1ssq h GLN 82 CO 0.01 0.61 0.35 0.00 -0.67 0.00 0.00 178.83 179.13 1ssq h ALA 83 N 1.23 0.83 -0.17 3.87 0.00 -0.41 -1.29 119.26 123.32 1ssq h ALA 83 Ca 0.24 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1ssq h ALA 83 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ssq h ALA 83 CO -0.05 0.04 -0.21 0.28 0.00 0.00 0.00 179.25 179.32 1ssq h VAL 84 N 0.67 1.34 -0.74 0.00 2.07 -0.87 -1.75 116.25 116.97 1ssq h VAL 84 Ca 0.28 -1.39 0.10 0.00 0.82 0.00 0.00 66.70 66.51 1ssq h VAL 84 Cb 0.14 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1ssq h VAL 84 CO -0.16 0.42 0.49 -0.09 0.02 0.00 0.00 177.57 178.25 1ssq h ARG 85 N 0.09 0.59 0.18 1.57 9.65 -0.94 -0.24 114.38 125.28 1ssq h ARG 85 Ca 0.02 -0.04 -0.32 0.00 -1.10 0.00 0.00 59.98 58.55 1ssq h ARG 85 Cb 0.76 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1ssq h ARG 85 CO 0.05 0.39 -1.49 0.45 2.80 0.00 0.00 179.97 182.17 1ssq h HIS 86 N 0.61 0.68 0.00 2.20 3.86 -1.14 -3.40 115.15 117.96 1ssq h HIS 86 Ca 0.35 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1ssq h HIS 86 Cb 0.52 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1ssq h HIS 86 CO -0.00 1.47 -1.66 0.54 0.86 0.00 0.00 177.93 179.14 1ssq n ARG 87 N -3.58 0.61 -3.51 2.45 1.74 -0.67 -4.79 116.66 108.92 1ssq n ARG 87 Ca -0.16 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.40 1ssq n ARG 87 Cb 1.07 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.82 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 -4.68 5.82 0.63 0.55 -1.08 -0.12 -4.92 116.67 112.87 1ssq s ASP 88 Ca -0.05 -1.63 0.34 0.00 -0.52 0.00 0.00 52.55 50.69 1ssq s ASP 88 Cb 0.13 -2.06 1.89 0.00 -1.46 0.00 0.00 42.92 41.42 1ssq s ASP 88 CO 0.87 -0.65 2.15 -0.65 0.52 0.00 0.00 175.17 177.41 1ssq h PRO 89 N 8.55 0.00 0.00 4.34 0.11 -1.86 -0.05 132.00 143.09 1ssq h PRO 89 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1ssq h PRO 89 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ssq h PRO 89 CO 0.85 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.53 1ssq h ALA 90 N 1.74 0.95 -2.49 -0.75 0.00 -1.94 -3.43 119.26 113.35 1ssq h ALA 90 Ca 0.04 -0.10 -0.70 0.00 0.00 0.00 0.00 54.91 54.15 1ssq h ALA 90 Cb 0.37 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.95 1ssq h ALA 90 CO -0.00 0.14 -0.32 0.08 0.00 0.00 0.00 179.25 179.15 1ssq s VAL 91 N -3.33 5.18 -0.12 0.00 1.01 -0.03 -4.93 120.40 118.17 1ssq s VAL 91 Ca 0.04 -0.37 0.15 0.00 0.00 0.00 0.00 61.98 61.80 1ssq s VAL 91 Cb 0.07 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 32.30 1ssq s VAL 91 CO 0.65 -0.29 0.14 -0.62 0.00 0.00 0.00 175.10 174.98 1ssq n GLU 92 N 5.37 1.18 -4.21 2.72 -0.58 -1.26 -4.77 120.64 119.10 1ssq n GLU 92 Ca -0.09 -0.05 -0.33 0.00 -0.42 0.00 0.00 57.16 56.27 1ssq n GLU 92 Cb 0.48 -1.40 -0.08 0.00 -0.57 0.00 0.00 31.44 29.86 1ssq n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ssq s LEU 93 N -4.90 3.69 0.42 -4.62 1.43 -1.26 -5.00 118.68 108.44 1ssq s LEU 93 Ca -0.07 0.07 0.21 0.00 -1.03 0.00 0.00 54.13 53.31 1ssq s LEU 93 Cb 0.06 -2.11 0.88 0.00 0.03 0.00 0.00 46.19 45.05 1ssq s LEU 93 CO 0.66 0.29 1.82 -0.50 0.23 0.00 0.00 176.35 178.85 1ssq h TRP 94 N 4.31 0.00 0.00 0.29 4.06 -1.94 -2.51 115.95 120.16 1ssq h TRP 94 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1ssq h TRP 94 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1ssq h TRP 94 CO 0.63 0.28 0.00 0.66 -3.56 0.00 0.00 178.44 176.45 1ssq h SER 95 N 0.00 0.00 -0.09 -3.49 4.64 -1.90 -3.37 113.55 109.35 1ssq h SER 95 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ssq h SER 95 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1ssq h SER 95 CO 0.04 0.00 0.05 0.74 -0.87 0.00 0.00 176.83 176.79 1ssq h THR 96 N 0.00 1.05 0.21 2.95 2.02 -1.86 -0.38 112.91 116.91 1ssq h THR 96 Ca 0.00 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1ssq h THR 96 Cb 0.82 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1ssq h THR 96 CO 0.00 0.05 -0.37 -0.65 0.37 0.00 0.00 175.52 174.91 1ssq h PRO 97 N 0.09 -0.64 -0.70 6.66 0.11 -1.76 0.35 132.00 136.11 1ssq h PRO 97 Ca 0.03 0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.28 1ssq h PRO 97 Cb 0.03 0.15 -0.07 0.00 0.11 0.00 0.00 31.00 31.21 1ssq h PRO 97 CO -0.01 -0.43 0.32 1.25 -0.21 0.00 0.00 178.00 178.93 1ssq h LEU 98 N -0.67 0.40 0.12 2.35 5.85 -1.71 -2.73 115.31 118.92 1ssq h LEU 98 Ca 0.01 0.07 -0.31 0.00 0.84 0.00 0.00 57.88 58.48 1ssq h LEU 98 Cb 0.66 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1ssq h LEU 98 CO -0.16 0.22 -1.59 -0.07 -0.34 0.00 0.00 178.44 176.50 1ssq h LEU 99 N 0.55 0.41 0.00 2.25 3.38 -0.72 -3.44 115.31 117.74 1ssq h LEU 99 Ca 0.35 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ssq h LEU 99 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ssq h LEU 99 CO -0.29 1.50 -0.22 -1.22 0.09 0.00 0.00 178.44 178.30 1ssq n TYR 100 N -3.46 0.00 -3.02 1.13 4.02 0.12 -5.01 117.16 110.94 1ssq n TYR 100 Ca -0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.28 1ssq n TYR 100 Cb 1.05 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.31 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 -1.46 4.33 0.62 7.72 1.43 -1.03 -4.92 118.68 125.37 1ssq s LEU 101 Ca 0.00 -0.17 0.38 0.00 -1.03 0.00 0.00 54.13 53.32 1ssq s LEU 101 Cb 0.00 -2.88 2.04 0.00 0.03 0.00 0.00 46.19 45.38 1ssq s LEU 101 CO 0.00 -0.85 2.25 0.07 0.23 0.00 0.00 176.35 178.05 1ssq h LYS 102 N 8.91 0.00 -0.19 1.70 2.10 -1.88 -1.16 116.57 126.05 1ssq h LYS 102 Ca -0.25 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.19 1ssq h LYS 102 Cb 1.09 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1ssq h LYS 102 CO 0.93 0.02 -0.72 0.78 -2.00 0.00 0.00 179.45 178.46 1ssq h GLY 103 N 0.46 0.89 0.94 0.07 0.00 -1.81 -1.69 103.07 101.94 1ssq h GLY 103 Ca -0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 47.33 46.12 1ssq h GLY 103 CO 0.00 1.07 -0.02 -2.75 0.00 0.00 0.00 176.54 174.84 1ssq h PHE 104 N 0.57 -0.06 -0.73 5.60 3.57 -1.42 -2.01 116.94 122.45 1ssq h PHE 104 Ca -0.04 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.56 1ssq h PHE 104 Cb 1.35 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.03 1ssq h PHE 104 CO 0.08 0.02 0.37 0.45 -2.23 0.00 0.00 178.31 177.00 1ssq h HIS 105 N -0.13 0.66 -0.06 0.41 3.86 -1.48 -1.18 115.15 117.24 1ssq h HIS 105 Ca -0.01 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ssq h HIS 105 Cb 0.11 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1ssq h HIS 105 CO -0.06 0.23 0.03 0.00 0.86 0.00 0.00 177.93 179.00 1ssq h ALA 106 N 1.45 0.07 -0.63 2.45 0.00 -1.10 0.31 119.26 121.80 1ssq h ALA 106 Ca 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ssq h ALA 106 Cb 0.40 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1ssq h ALA 106 CO -0.28 -0.41 0.39 0.82 0.00 0.00 0.00 179.25 179.77 1ssq h ILE 107 N 0.03 1.18 -0.48 0.00 2.04 -0.83 0.11 117.51 119.56 1ssq h ILE 107 Ca 0.02 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1ssq h ILE 107 Cb 0.04 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1ssq h ILE 107 CO -0.00 0.18 -0.14 1.56 0.00 0.00 0.00 178.15 179.75 1ssq h GLN 108 N 0.86 0.91 -0.73 2.37 1.08 -1.04 -2.17 115.11 116.39 1ssq h GLN 108 Ca 0.23 -0.34 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1ssq h GLN 108 Cb -0.04 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1ssq h GLN 108 CO -0.04 0.99 0.22 0.77 -0.95 0.00 0.00 178.83 179.81 1ssq h SER 109 N 0.81 1.07 -0.21 1.46 0.02 -0.54 -2.47 113.55 113.68 1ssq h SER 109 Ca 0.12 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1ssq h SER 109 Cb 0.68 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1ssq h SER 109 CO 0.05 1.00 0.06 0.22 -1.14 0.00 0.00 176.83 177.02 1ssq h TYR 110 N 1.08 0.10 -1.03 3.45 3.20 -0.34 -1.55 116.97 121.90 1ssq h TYR 110 Ca 0.23 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.37 1ssq h TYR 110 Cb 0.32 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.47 1ssq h TYR 110 CO 0.03 0.04 0.64 0.00 -1.64 0.00 0.00 178.16 177.23 1ssq h ARG 111 N 0.15 0.46 -0.38 1.82 3.08 -0.94 0.30 114.38 118.86 1ssq h ARG 111 Ca 0.09 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1ssq h ARG 111 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ssq h ARG 111 CO -0.11 0.30 -0.06 0.82 -1.07 0.00 0.00 179.97 179.86 1ssq h ILE 112 N 0.47 1.27 -0.28 2.04 2.04 -1.07 -2.21 117.51 119.77 1ssq h ILE 112 Ca 0.61 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 1ssq h ILE 112 Cb 1.39 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1ssq h ILE 112 CO -0.36 0.37 -0.13 0.71 0.00 0.00 0.00 178.15 178.74 1ssq h THR 113 N 0.52 1.23 -0.79 -0.27 1.35 -0.14 -1.54 112.91 113.27 1ssq h THR 113 Ca 0.10 -1.02 -0.03 0.00 -0.55 0.00 0.00 66.41 64.91 1ssq h THR 113 Cb 0.56 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.11 1ssq h THR 113 CO 0.03 0.33 0.38 -0.74 -0.25 0.00 0.00 175.52 175.27 1ssq h HIS 114 N 0.43 1.14 -0.02 4.73 6.17 -0.45 0.62 115.15 127.79 1ssq h HIS 114 Ca 0.08 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.10 1ssq h HIS 114 Cb 0.50 -0.35 -0.00 0.00 2.52 0.00 0.00 27.41 30.07 1ssq h HIS 114 CO 0.02 0.83 0.00 -0.92 0.71 0.00 0.00 177.93 178.57 1ssq h TYR 115 N 1.12 0.03 -0.55 5.26 3.20 -0.98 -3.05 116.97 122.00 1ssq h TYR 115 Ca 0.27 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1ssq h TYR 115 Cb 0.12 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1ssq h TYR 115 CO 0.01 0.30 0.34 -0.07 -1.64 0.00 0.00 178.16 177.10 1ssq h LEU 116 N -0.25 0.65 -1.53 2.82 3.38 -1.02 -2.28 115.31 117.07 1ssq h LEU 116 Ca 0.00 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.09 1ssq h LEU 116 Cb 0.28 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1ssq h LEU 116 CO 0.00 0.49 0.51 -0.25 0.09 0.00 0.00 178.44 179.28 1ssq h TRP 117 N 0.75 0.54 -0.46 1.13 2.91 -0.77 0.39 115.95 120.46 1ssq h TRP 117 Ca 0.20 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1ssq h TRP 117 Cb -0.04 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.43 1ssq h TRP 117 CO 0.00 0.21 0.00 0.27 -1.03 0.00 0.00 178.44 177.90 1ssq n ASN 118 N -4.49 4.37 -1.40 2.65 6.94 -0.88 -3.92 115.26 118.52 1ssq n ASN 118 Ca 0.14 -2.66 0.09 0.00 -0.02 0.00 0.00 54.58 52.13 1ssq n ASN 118 Cb 0.50 -0.53 0.32 0.00 -2.36 0.00 0.00 39.78 37.71 1ssq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ssq n GLN 119 N 0.38 3.56 -1.93 -3.83 1.13 0.08 -4.92 117.38 111.85 1ssq n GLN 119 Ca 0.22 -2.79 -0.09 0.00 -1.94 0.00 0.00 57.00 52.40 1ssq n GLN 119 Cb 0.88 -1.82 -0.01 0.00 0.11 0.00 0.00 30.24 29.40 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 0.87 -3.32 -2.72 1.08 5.15 -1.22 -4.94 115.26 110.17 1ssq n ASN 120 Ca 0.24 0.05 -0.24 0.00 -0.60 0.00 0.00 54.58 54.03 1ssq n ASN 120 Cb 0.84 -2.34 -0.01 0.00 -0.53 0.00 0.00 39.78 37.74 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 -2.08 2.83 -0.02 1.20 1.74 -0.93 -4.88 116.66 114.54 1ssq n ARG 121 Ca -0.10 -4.35 -0.05 0.00 -0.77 0.00 0.00 57.85 52.58 1ssq n ARG 121 Cb 0.50 -2.06 0.16 0.00 -1.02 0.00 0.00 32.46 30.04 1ssq n ARG 121 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ssq h LYS 122 N 2.81 0.57 -0.53 5.56 1.57 -1.82 -0.26 116.57 124.46 1ssq h LYS 122 Ca 0.17 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ssq h LYS 122 Cb 0.82 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1ssq h LYS 122 CO 0.76 0.78 0.33 0.77 -0.57 0.00 0.00 179.45 181.52 1ssq h SER 123 N 0.50 0.55 -0.03 0.86 0.02 -1.96 0.26 113.55 113.75 1ssq h SER 123 Ca 0.07 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 1ssq h SER 123 Cb 0.72 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1ssq h SER 123 CO 0.05 0.39 -0.35 0.25 -1.14 0.00 0.00 176.83 176.03 1ssq h LEU 124 N 0.66 0.53 -0.91 5.07 5.85 -1.86 -0.71 115.31 123.94 1ssq h LEU 124 Ca 0.21 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1ssq h LEU 124 Cb -0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1ssq h LEU 124 CO -0.08 0.85 -0.08 0.00 -0.34 0.00 0.00 178.44 178.78 1ssq h ALA 125 N 1.18 1.08 -0.23 1.25 0.00 -0.63 -0.97 119.26 120.95 1ssq h ALA 125 Ca 0.05 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1ssq h ALA 125 Cb 0.82 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ssq h ALA 125 CO 0.07 0.57 -0.65 -0.07 0.00 0.00 0.00 179.25 179.16 1ssq h LEU 126 N 0.65 0.95 -0.23 0.00 3.38 -0.62 0.14 115.31 119.58 1ssq h LEU 126 Ca 0.12 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.58 1ssq h LEU 126 Cb 0.53 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1ssq h LEU 126 CO 0.03 1.36 -0.13 0.22 0.09 0.00 0.00 178.44 180.01 1ssq h TYR 127 N 0.61 -0.33 -0.18 1.13 3.20 -0.89 -2.12 116.97 118.39 1ssq h TYR 127 Ca -0.02 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 1ssq h TYR 127 Cb 1.27 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 1ssq h TYR 127 CO 0.08 -0.20 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.88 1ssq h LEU 128 N -0.11 0.47 -0.85 2.82 3.38 -1.06 -1.45 115.31 118.51 1ssq h LEU 128 Ca 0.13 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.00 1ssq h LEU 128 Cb 0.31 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 1ssq h LEU 128 CO -0.30 0.86 0.47 -0.61 0.09 0.00 0.00 178.44 178.94 1ssq h GLN 129 N 0.36 0.70 -0.19 1.13 4.15 -0.59 0.20 115.11 120.86 1ssq h GLN 129 Ca 0.02 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 1ssq h GLN 129 Cb 0.93 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1ssq h GLN 129 CO 0.08 0.46 -0.43 -0.97 -1.93 0.00 0.00 178.83 176.05 1ssq h ASN 130 N 0.72 0.71 -0.65 -0.69 -1.24 -1.11 -2.06 115.58 111.26 1ssq h ASN 130 Ca 0.44 -0.56 0.10 0.00 0.71 0.00 0.00 56.30 56.99 1ssq h ASN 130 Cb 0.52 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.32 1ssq h ASN 130 CO -0.31 1.14 0.44 1.56 -1.29 0.00 0.00 177.43 178.97 1ssq h GLN 131 N 0.31 0.48 -0.07 6.67 1.08 -0.13 -1.04 115.11 122.42 1ssq h GLN 131 Ca 0.00 -0.03 -0.20 0.00 -1.45 0.00 0.00 58.65 56.97 1ssq h GLN 131 Cb 1.03 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1ssq h GLN 131 CO 0.09 0.32 -0.73 0.82 -0.95 0.00 0.00 178.83 178.39 1ssq h ILE 132 N 0.50 1.33 -0.42 2.54 2.04 -0.49 0.79 117.51 123.80 1ssq h ILE 132 Ca 0.30 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.10 1ssq h ILE 132 Cb 0.52 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1ssq h ILE 132 CO -0.09 0.62 0.04 -1.28 0.00 0.00 0.00 178.15 177.43 1ssq h SER 133 N 0.26 0.62 0.11 1.72 0.87 -0.83 -0.93 113.55 115.37 1ssq h SER 133 Ca -0.07 -0.12 -0.25 0.00 -1.23 0.00 0.00 61.79 60.12 1ssq h SER 133 Cb 1.38 -0.16 0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1ssq h SER 133 CO 0.15 0.66 -1.06 0.58 -0.53 0.00 0.00 176.83 176.63 1ssq h VAL 134 N 0.63 1.35 -0.09 2.23 2.07 -1.14 -0.35 116.25 120.95 1ssq h VAL 134 Ca 0.14 -2.41 -0.20 0.00 0.82 0.00 0.00 66.70 65.05 1ssq h VAL 134 Cb 0.33 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1ssq h VAL 134 CO 0.01 0.72 -0.77 0.00 0.02 0.00 0.00 177.57 177.55 1ssq h ALA 135 N 0.25 0.50 0.00 1.67 0.00 -0.73 -3.37 119.26 117.58 1ssq h ALA 135 Ca -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1ssq h ALA 135 Cb 1.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ssq h ALA 135 CO 0.20 0.75 0.00 1.19 0.00 0.00 0.00 179.25 181.39 1ssq n PHE 136 N -3.85 0.00 -1.66 0.00 0.99 -0.36 -5.02 117.46 107.56 1ssq n PHE 136 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.29 1ssq n PHE 136 Cb 0.73 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.18 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 -0.27 -3.93 -4.16 4.37 9.92 -0.14 -4.59 116.55 117.76 1ssq n ASP 137 Ca 0.00 0.15 -0.29 0.00 -0.53 0.00 0.00 54.79 54.12 1ssq n ASP 137 Cb 0.02 -2.67 -0.17 0.00 -0.64 0.00 0.00 41.12 37.66 1ssq n ASP 137 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ssq s VAL 138 N -2.44 1.72 -0.26 2.53 1.01 -1.24 -1.34 120.40 120.38 1ssq s VAL 138 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1ssq s VAL 138 Cb 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.94 1ssq s VAL 138 CO 0.00 0.48 -0.11 -0.62 0.00 0.00 0.00 175.10 174.85 1ssq s ASP 139 N 0.32 4.38 -0.15 3.32 3.68 -0.21 -2.50 116.67 125.51 1ssq s ASP 139 Ca -0.14 -1.34 0.00 0.00 2.13 0.00 0.00 52.55 53.20 1ssq s ASP 139 Cb -0.16 -1.55 0.03 0.00 -1.45 0.00 0.00 42.92 39.78 1ssq s ASP 139 CO 0.06 -0.18 -0.12 -0.63 0.13 0.00 0.00 175.17 174.43 1ssq s ILE 140 N 1.12 1.44 0.32 4.11 1.01 -1.26 -0.73 121.20 127.21 1ssq s ILE 140 Ca -0.08 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 1ssq s ILE 140 Cb -0.20 -1.40 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 1ssq s ILE 140 CO -0.05 0.40 1.36 -2.28 0.00 0.00 0.00 174.94 174.37 1ssq s HIS 141 N 1.53 2.98 0.56 3.97 5.65 -0.39 -4.90 115.29 124.69 1ssq s HIS 141 Ca 0.04 1.31 0.25 0.00 0.25 0.00 0.00 55.06 56.91 1ssq s HIS 141 Cb -0.13 -3.76 1.54 0.00 -1.18 0.00 0.00 32.58 29.06 1ssq s HIS 141 CO -0.10 -2.17 2.11 -1.35 -0.65 0.00 0.00 174.74 172.59 1ssq h PRO 142 N 3.64 0.00 -0.00 2.88 0.11 -1.90 -1.49 132.00 135.23 1ssq h PRO 142 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ssq h PRO 142 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ssq h PRO 142 CO 0.68 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.44 1ssq n ALA 143 N -2.44 2.59 -1.60 -0.75 0.00 -1.26 -3.93 120.51 113.12 1ssq n ALA 143 Ca 0.01 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1ssq n ALA 143 Cb 0.29 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.43 2.49 -0.25 0.00 0.00 -0.56 -4.75 121.76 116.26 1ssq s ALA 144 Ca 0.32 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 1ssq s ALA 144 Cb 0.21 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1ssq s ALA 144 CO 0.45 -1.22 -0.03 0.15 0.00 0.00 0.00 175.76 175.11 1ssq s LYS 145 N -3.70 3.10 -0.09 0.00 1.02 -0.82 -4.99 119.74 114.25 1ssq s LYS 145 Ca 0.72 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.92 1ssq s LYS 145 Cb -0.25 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1ssq s LYS 145 CO 0.37 -0.33 -0.20 0.42 -0.92 0.00 0.00 175.35 174.69 1ssq s ILE 146 N 1.42 1.74 0.00 2.17 1.01 -1.26 0.15 121.20 126.43 1ssq s ILE 146 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1ssq s ILE 146 Cb -0.16 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1ssq s ILE 146 CO -0.03 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1ssq n GLY 147 N 3.72 -0.67 3.63 6.18 0.00 0.96 -4.99 105.19 114.03 1ssq n GLY 147 Ca -0.20 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 2.52 -0.56 1.61 -3.43 -1.26 -4.72 115.29 109.45 1ssq s HIS 148 Ca 0.00 -0.57 -0.03 0.00 -0.80 0.00 0.00 55.06 53.66 1ssq s HIS 148 Cb 0.00 -1.67 0.00 0.00 -1.43 0.00 0.00 32.58 29.48 1ssq s HIS 148 CO 0.00 0.44 0.48 0.41 -2.00 0.00 0.00 174.74 174.07 1ssq n GLY 149 N -0.98 0.24 3.54 -1.38 0.00 -1.26 -1.55 105.19 103.80 1ssq n GLY 149 Ca -0.04 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.14 3.74 -0.12 -0.61 -1.09 -1.26 -2.47 121.20 116.24 1ssq s ILE 150 Ca 0.17 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.18 1ssq s ILE 150 Cb -0.07 -2.57 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1ssq s ILE 150 CO 0.31 0.56 -0.22 -0.32 -1.23 0.00 0.00 174.94 174.03 1ssq s MET 151 N -0.30 2.98 -0.71 2.79 -2.45 -0.97 -4.65 119.30 115.99 1ssq s MET 151 Ca 0.04 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.67 1ssq s MET 151 Cb -0.13 -2.34 0.17 0.00 1.25 0.00 0.00 34.83 33.79 1ssq s MET 151 CO 0.02 0.06 0.51 -0.06 1.05 0.00 0.00 175.02 176.61 1ssq s PHE 152 N 0.63 3.56 0.11 4.11 2.99 -1.25 -0.32 117.98 127.81 1ssq s PHE 152 Ca -0.12 -3.21 -0.30 0.00 0.00 0.00 0.00 56.93 53.30 1ssq s PHE 152 Cb -0.16 -2.87 -0.07 0.00 0.00 0.00 0.00 43.02 39.92 1ssq s PHE 152 CO 0.03 -0.64 1.20 0.34 -0.00 0.00 0.00 175.22 176.15 1ssq s ASP 153 N -0.85 7.08 0.00 1.36 2.15 -0.57 -3.84 116.67 122.00 1ssq s ASP 153 Ca 0.23 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.31 1ssq s ASP 153 Cb -0.10 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1ssq s ASP 153 CO -0.12 -0.44 0.00 1.41 -0.17 0.00 0.00 175.17 175.85 1ssq n HIS 154 N 3.43 0.00 0.00 -5.34 8.25 -1.26 -2.51 115.22 117.79 1ssq n HIS 154 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1ssq n HIS 154 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.59 -1.41 0.00 -1.25 -4.57 120.51 111.69 1ssq n ALA 155 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 1ssq n ALA 155 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.04 0.04 -0.16 0.00 -1.04 -1.26 -1.81 114.28 109.01 1ssq n THR 156 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ssq n THR 156 Cb 0.00 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 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 2.60 1.09 3.74 3.41 0.00 -0.45 -1.09 105.19 114.49 1ssq n GLY 157 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.59 2.99 -0.05 -0.61 1.01 -0.75 -4.25 121.20 116.94 1ssq s ILE 158 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1ssq s ILE 158 Cb 0.00 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1ssq s ILE 158 CO 0.00 0.13 -0.11 -0.69 0.00 0.00 0.00 174.94 174.27 1ssq s VAL 159 N 0.01 1.03 -0.12 2.92 1.01 -0.20 -1.04 120.40 124.01 1ssq s VAL 159 Ca 0.57 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1ssq s VAL 159 Cb -0.39 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.10 1ssq s VAL 159 CO 0.41 0.32 0.02 -0.69 0.00 0.00 0.00 175.10 175.16 1ssq s VAL 160 N 0.54 0.40 0.78 2.92 1.01 0.09 -0.65 120.40 125.48 1ssq s VAL 160 Ca -0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1ssq s VAL 160 Cb -0.14 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.65 1ssq s VAL 160 CO 0.03 0.08 1.11 -0.83 0.00 0.00 0.00 175.10 175.49 1ssq s GLY 161 N 1.95 1.68 0.28 4.51 0.00 -0.08 -1.26 107.32 114.40 1ssq s GLY 161 Ca 0.03 -0.96 -0.08 0.00 0.00 0.00 0.00 44.72 43.71 1ssq s GLY 161 CO -0.06 -0.45 1.56 -2.09 0.00 0.00 0.00 173.10 172.05 1ssq h GLU 162 N -0.91 0.00 -0.67 2.90 4.81 -1.90 -1.77 114.58 117.03 1ssq h GLU 162 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ssq h GLU 162 Cb 1.30 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1ssq h GLU 162 CO 0.56 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.09 1ssq n THR 163 N -5.62 1.70 -2.08 0.32 -2.24 -1.26 -2.85 114.28 102.25 1ssq n THR 163 Ca 0.16 -1.14 -0.37 0.00 -2.27 0.00 0.00 64.05 60.43 1ssq n THR 163 Cb 0.51 0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.90 5.77 -0.02 3.42 0.01 -0.67 -4.53 113.70 116.79 1ssq s SER 164 Ca 0.51 2.47 0.04 0.00 1.31 0.00 0.00 55.95 60.27 1ssq s SER 164 Cb 0.32 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1ssq s SER 164 CO 0.26 -1.20 -0.13 -0.69 0.41 0.00 0.00 173.24 171.89 1ssq s VAL 165 N -1.47 1.06 -0.12 3.43 1.01 -0.13 -1.94 120.40 122.24 1ssq s VAL 165 Ca 0.68 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1ssq s VAL 165 Cb -0.33 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1ssq s VAL 165 CO 0.39 0.31 -0.03 -0.63 0.00 0.00 0.00 175.10 175.13 1ssq s ILE 166 N -0.13 0.75 0.42 2.22 1.01 0.12 -0.60 121.20 125.00 1ssq s ILE 166 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1ssq s ILE 166 Cb -0.07 -0.92 0.09 0.00 0.01 0.00 0.00 42.46 41.58 1ssq s ILE 166 CO 0.00 0.21 0.57 -0.62 0.00 0.00 0.00 174.94 175.10 1ssq n GLU 167 N 5.01 -0.42 -1.00 2.79 1.02 0.51 -0.03 120.64 128.52 1ssq n GLU 167 Ca -0.10 -0.97 -0.31 0.00 -0.02 0.00 0.00 57.16 55.76 1ssq n GLU 167 Cb 0.49 -0.55 0.14 0.00 -0.02 0.00 0.00 31.44 31.49 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 -3.11 3.55 -1.24 1.62 0.01 -1.26 -4.10 114.94 110.41 1ssq s ASN 168 Ca 0.33 1.89 -0.20 0.00 -0.71 0.00 0.00 52.86 54.17 1ssq s ASN 168 Cb -0.01 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.19 1ssq s ASN 168 CO 0.23 -2.65 0.63 0.47 -1.51 0.00 0.00 177.10 174.27 1ssq n ASP 169 N -3.92 -3.58 -4.55 -1.22 8.00 -0.60 -3.27 116.55 107.40 1ssq n ASP 169 Ca 0.09 -1.12 -0.32 0.00 0.71 0.00 0.00 54.79 54.15 1ssq n ASP 169 Cb 0.53 -2.67 -0.11 0.00 -0.02 0.00 0.00 41.12 38.84 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 -3.64 3.41 -0.15 2.53 1.01 -1.18 -1.24 120.40 121.13 1ssq s VAL 170 Ca 0.36 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1ssq s VAL 170 Cb -0.16 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1ssq s VAL 170 CO 0.91 0.46 -0.12 -0.44 0.00 0.00 0.00 175.10 175.91 1ssq s SER 171 N -1.17 3.99 -0.04 3.32 0.01 -0.74 -2.30 113.70 116.77 1ssq s SER 171 Ca 0.15 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1ssq s SER 171 Cb -0.11 -1.62 0.01 0.00 0.21 0.00 0.00 66.02 64.51 1ssq s SER 171 CO 0.05 0.13 -0.11 -0.63 0.41 0.00 0.00 173.24 173.08 1ssq s ILE 172 N 0.58 0.97 0.46 1.44 1.01 0.57 -0.53 121.20 125.70 1ssq s ILE 172 Ca -0.08 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.22 1ssq s ILE 172 Cb -0.16 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1ssq s ILE 172 CO 0.03 0.30 0.49 -0.76 0.00 0.00 0.00 174.94 175.00 1ssq s LEU 173 N 0.34 3.33 0.58 2.97 1.43 -1.01 -1.52 118.68 124.79 1ssq s LEU 173 Ca -0.07 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.11 1ssq s LEU 173 Cb -0.11 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 1ssq s LEU 173 CO 0.02 -0.84 0.63 0.00 0.23 0.00 0.00 176.35 176.38 1ssq n GLN 174 N -1.75 0.59 -0.91 1.70 0.00 -1.05 -2.86 117.38 113.10 1ssq n GLN 174 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 57.00 57.29 1ssq n GLN 174 Cb 0.61 -1.81 0.00 0.00 0.00 0.00 0.00 30.24 29.04 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 1.66 0.80 3.74 2.61 0.00 -0.25 -0.81 105.19 112.94 1ssq n GLY 175 Ca 0.12 0.00 -0.41 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 -3.38 4.28 -0.06 1.61 1.01 -1.13 -3.86 120.40 118.87 1ssq s VAL 176 Ca 0.00 2.03 0.06 0.00 0.00 0.00 0.00 61.98 64.07 1ssq s VAL 176 Cb 0.00 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1ssq s VAL 176 CO 0.00 0.38 -0.25 -0.89 0.00 0.00 0.00 175.10 174.34 1ssq s THR 177 N -0.45 2.10 -0.53 3.92 2.01 -0.46 -1.04 115.64 121.20 1ssq s THR 177 Ca 0.45 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1ssq s THR 177 Cb -0.25 -1.76 0.13 0.00 0.01 0.00 0.00 72.50 70.63 1ssq s THR 177 CO 0.31 0.57 0.28 -0.76 -0.69 0.00 0.00 174.62 174.33 1ssq s LEU 178 N -0.17 4.45 0.24 4.42 1.43 0.18 -0.72 118.68 128.50 1ssq s LEU 178 Ca -0.03 -2.97 0.07 0.00 -1.03 0.00 0.00 54.13 50.17 1ssq s LEU 178 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1ssq s LEU 178 CO 0.04 -0.25 0.11 -0.83 0.23 0.00 0.00 176.35 175.65 1ssq s GLY 179 N -0.13 1.55 0.77 -3.19 0.00 -0.02 -0.90 107.32 105.41 1ssq s GLY 179 Ca 0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 1ssq s GLY 179 CO -0.01 -1.49 1.06 -0.32 0.00 0.00 0.00 173.10 172.35 1ssq s GLY 180 N -3.60 1.76 0.05 0.20 0.00 -1.26 -1.21 107.32 103.25 1ssq s GLY 180 Ca 0.32 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 1ssq s GLY 180 CO 0.23 -1.11 0.25 -1.08 0.00 0.00 0.00 173.10 171.38 1ssq s THR 181 N -3.28 0.10 0.00 0.90 -1.32 -1.22 -4.41 115.64 106.41 1ssq s THR 181 Ca 0.69 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1ssq s THR 181 Cb -0.04 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1ssq s THR 181 CO 0.46 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1ssq n GLY 182 N 0.54 -0.95 0.82 6.08 0.00 -1.26 -4.72 105.19 105.69 1ssq n GLY 182 Ca -0.18 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.12 2.97 -4.30 1.61 -0.00 -1.26 -5.01 118.16 111.06 1ssq n LYS 183 Ca 0.00 -2.48 -0.27 0.00 -0.00 0.00 0.00 58.31 55.56 1ssq n LYS 183 Cb 0.00 -1.58 -0.10 0.00 -0.00 0.00 0.00 35.03 33.35 1ssq n LYS 183 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1ssq s GLU 184 N -1.91 2.00 1.18 -1.58 2.56 -1.26 -5.13 118.70 114.55 1ssq s GLU 184 Ca 0.34 -1.28 -0.19 0.00 0.00 0.00 0.00 54.97 53.83 1ssq s GLU 184 Cb 0.24 -2.13 0.28 0.00 2.00 0.00 0.00 34.13 34.52 1ssq s GLU 184 CO 0.13 0.44 1.16 -1.54 -0.56 0.00 0.00 175.26 174.89 1ssq s SER 185 N -2.76 1.15 0.00 -1.70 1.04 -1.26 -4.98 113.70 105.20 1ssq s SER 185 Ca 0.24 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1ssq s SER 185 Cb -0.09 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1ssq s SER 185 CO 0.14 -3.96 0.00 0.61 0.98 0.00 0.00 173.24 171.01 1ssq n GLY 186 N -1.54 1.74 3.62 7.32 0.00 -1.26 -4.95 105.19 110.11 1ssq n GLY 186 Ca 0.15 -2.02 -0.48 0.00 0.00 0.00 0.00 46.02 43.66 1ssq n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssq n ASP 187 N 0.00 3.09 -0.29 1.61 -0.08 -1.26 -4.74 116.55 114.88 1ssq n ASP 187 Ca 0.00 0.73 0.00 0.00 -1.51 0.00 0.00 54.79 54.01 1ssq n ASP 187 Cb 0.00 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.09 1ssq n ASP 187 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ssq n ARG 188 N 7.30 0.00 -4.35 -0.67 1.85 -1.26 -4.64 116.66 114.88 1ssq n ARG 188 Ca 0.28 -0.23 -0.19 0.00 -1.00 0.00 0.00 57.85 56.71 1ssq n ARG 188 Cb 0.30 -0.14 -0.10 0.00 -1.05 0.00 0.00 32.46 31.46 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 1.77 0.70 2.89 3.76 -1.24 -3.02 115.29 120.15 1ssq s HIS 189 Ca 0.00 -0.53 -0.16 0.00 -0.15 0.00 0.00 55.06 54.22 1ssq s HIS 189 Cb 0.00 -0.83 0.02 0.00 1.11 0.00 0.00 32.58 32.88 1ssq s HIS 189 CO 0.00 0.38 1.23 -2.14 -0.85 0.00 0.00 174.74 173.36 1ssq s PRO 190 N -3.46 2.31 -0.31 8.40 0.02 -0.70 -4.02 135.00 137.24 1ssq s PRO 190 Ca 0.22 1.85 0.03 0.00 0.02 0.00 0.00 61.00 63.12 1ssq s PRO 190 Cb -0.02 -1.84 0.09 0.00 0.02 0.00 0.00 34.50 32.74 1ssq s PRO 190 CO 0.07 -1.73 -0.00 0.15 -0.33 0.00 0.00 177.00 175.17 1ssq s LYS 191 N -3.72 1.69 -0.42 5.54 3.01 -0.46 -0.95 119.74 124.43 1ssq s LYS 191 Ca 0.77 -1.64 -0.15 0.00 -1.01 0.00 0.00 55.97 53.94 1ssq s LYS 191 Cb -0.31 -3.03 0.03 0.00 -1.01 0.00 0.00 37.83 33.51 1ssq s LYS 191 CO 0.43 -0.81 0.32 0.08 0.51 0.00 0.00 175.35 175.87 1ssq s VAL 192 N 1.02 5.20 0.69 3.17 1.01 0.24 -0.71 120.40 131.01 1ssq s VAL 192 Ca 0.04 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1ssq s VAL 192 Cb -0.19 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1ssq s VAL 192 CO -0.08 -0.37 1.06 -0.13 0.00 0.00 0.00 175.10 175.59 1ssq s ARG 193 N 1.66 2.95 0.49 2.72 1.81 -0.93 -0.37 118.95 127.28 1ssq s ARG 193 Ca 0.05 0.78 -0.20 0.00 -1.72 0.00 0.00 55.73 54.63 1ssq s ARG 193 Cb -0.20 -2.01 -0.11 0.00 -0.45 0.00 0.00 34.95 32.18 1ssq s ARG 193 CO 0.09 -1.04 0.53 -0.85 -0.68 0.00 0.00 175.30 173.35 1ssq n GLU 194 N -3.06 0.57 -0.84 3.54 0.28 -1.25 -3.04 120.64 116.84 1ssq n GLU 194 Ca 0.07 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1ssq n GLU 194 Cb 0.55 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.82 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 1.78 0.86 3.76 -1.84 0.00 -0.38 -0.30 105.19 109.08 1ssq n GLY 195 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1ssq n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssq s VAL 196 N -3.29 3.32 -0.06 1.61 1.01 -1.17 -0.40 120.40 121.42 1ssq s VAL 196 Ca 0.00 1.26 0.06 0.00 0.00 0.00 0.00 61.98 63.30 1ssq s VAL 196 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1ssq s VAL 196 CO 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 175.10 175.12 1ssq s MET 197 N -1.18 2.55 -0.21 2.72 0.23 -0.90 -1.80 119.30 120.71 1ssq s MET 197 Ca 0.48 -0.90 0.01 0.00 -1.03 0.00 0.00 55.69 54.25 1ssq s MET 197 Cb -0.34 -2.15 0.03 0.00 -1.53 0.00 0.00 34.83 30.84 1ssq s MET 197 CO 0.43 0.37 -0.15 0.42 -2.03 0.00 0.00 175.02 174.06 1ssq s ILE 198 N -0.15 2.29 0.85 3.16 1.01 0.32 -0.89 121.20 127.79 1ssq s ILE 198 Ca -0.04 -1.11 -0.10 0.00 0.00 0.00 0.00 60.65 59.39 1ssq s ILE 198 Cb -0.14 -2.10 0.11 0.00 0.01 0.00 0.00 42.46 40.34 1ssq s ILE 198 CO 0.04 0.33 1.13 -0.83 0.00 0.00 0.00 174.94 175.61 1ssq s GLY 199 N 1.26 1.71 0.18 6.18 0.00 0.35 -2.41 107.32 114.57 1ssq s GLY 199 Ca 0.01 0.47 -0.33 0.00 0.00 0.00 0.00 44.72 44.87 1ssq s GLY 199 CO -0.09 0.86 1.28 0.00 0.00 0.00 0.00 173.10 175.15 1ssq n ALA 200 N -3.89 -0.17 0.00 3.20 0.00 -1.26 -2.61 120.51 115.77 1ssq n ALA 200 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1ssq n ALA 200 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 2.21 2.61 3.78 0.00 0.00 0.01 -0.62 105.19 113.18 1ssq n GLY 201 Ca 0.15 0.00 -0.41 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 -2.57 3.53 -0.24 4.61 0.00 -1.07 -4.23 121.76 121.79 1ssq s ALA 202 Ca 0.00 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 1ssq s ALA 202 Cb 0.00 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1ssq s ALA 202 CO 0.00 -1.00 -0.09 0.15 0.00 0.00 0.00 175.76 174.83 1ssq s LYS 203 N -2.08 2.74 -0.21 0.00 -0.14 0.26 -1.36 119.74 118.96 1ssq s LYS 203 Ca 0.53 -1.03 -0.04 0.00 -1.36 0.00 0.00 55.97 54.07 1ssq s LYS 203 Cb -0.45 -2.92 -0.01 0.00 -1.68 0.00 0.00 37.83 32.77 1ssq s LYS 203 CO 0.61 -0.41 -0.04 0.42 -0.76 0.00 0.00 175.35 175.17 1ssq s ILE 204 N 1.28 3.43 -0.04 2.17 1.01 0.10 -0.33 121.20 128.82 1ssq s ILE 204 Ca -0.01 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1ssq s ILE 204 Cb -0.17 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 1ssq s ILE 204 CO -0.06 0.43 -0.16 -0.76 0.00 0.00 0.00 174.94 174.39 1ssq s LEU 205 N 1.34 1.93 0.00 2.97 1.43 -0.61 -0.84 118.68 124.90 1ssq s LEU 205 Ca 0.04 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1ssq s LEU 205 Cb -0.14 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1ssq s LEU 205 CO -0.02 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1ssq n GLY 206 N 3.05 0.04 3.31 -3.19 0.00 -0.35 -4.56 105.19 103.49 1ssq n GLY 206 Ca -0.17 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.67 4.26 -4.16 1.61 5.15 -1.17 -1.73 115.26 118.55 1ssq n ASN 207 Ca 0.00 -2.86 -0.22 0.00 -0.60 0.00 0.00 54.58 50.90 1ssq n ASN 207 Cb 0.00 -1.68 -0.14 0.00 -0.53 0.00 0.00 39.78 37.43 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 4.81 1.25 -0.07 -1.44 -4.36 -1.26 -4.93 121.20 115.21 1ssq s ILE 208 Ca 0.54 -0.92 -0.29 0.00 -0.26 0.00 0.00 60.65 59.71 1ssq s ILE 208 Cb 0.07 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 1ssq s ILE 208 CO 0.04 0.15 0.97 -1.61 0.24 0.00 0.00 174.94 174.73 1ssq s GLU 209 N -0.89 4.47 -0.50 0.37 0.41 -1.26 -1.35 118.70 119.95 1ssq s GLU 209 Ca 0.04 1.35 -0.10 0.00 -0.41 0.00 0.00 54.97 55.86 1ssq s GLU 209 Cb -0.07 -3.51 0.13 0.00 -1.78 0.00 0.00 34.13 28.90 1ssq s GLU 209 CO 0.01 -0.19 0.38 0.08 -0.49 0.00 0.00 175.26 175.04 1ssq s VAL 210 N 1.56 4.31 0.38 2.63 1.01 0.11 -1.21 120.40 129.19 1ssq s VAL 210 Ca 0.49 -1.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 1ssq s VAL 210 Cb -0.19 -3.83 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 1ssq s VAL 210 CO 0.22 -0.80 0.20 0.61 0.00 0.00 0.00 175.10 175.33 1ssq n GLY 211 N 4.83 -2.46 3.72 4.51 0.00 0.11 -2.20 105.19 113.71 1ssq n GLY 211 Ca -0.07 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1ssq n GLY 211 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ssq n LYS 212 N 1.20 1.47 -1.22 1.61 2.85 -1.26 -2.19 118.16 120.62 1ssq n LYS 212 Ca 0.12 0.55 -0.08 0.00 -1.05 0.00 0.00 58.31 57.85 1ssq n LYS 212 Cb 0.38 -2.51 -0.03 0.00 -0.65 0.00 0.00 35.03 32.21 1ssq n LYS 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ssq n TYR 213 N -1.29 0.00 -1.55 5.58 0.53 0.59 -1.66 117.16 119.37 1ssq n TYR 213 Ca 0.12 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.70 1ssq n TYR 213 Cb 0.45 -2.47 0.08 0.00 -1.03 0.00 0.00 39.34 36.37 1ssq n TYR 213 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ssq s ALA 214 N -1.70 2.37 -0.11 -0.72 0.00 -0.93 -3.93 121.76 116.74 1ssq s ALA 214 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 1ssq s ALA 214 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1ssq s ALA 214 CO 0.00 -1.58 -0.07 0.21 0.00 0.00 0.00 175.76 174.32 1ssq s LYS 215 N -5.11 1.45 -0.29 0.00 2.47 0.17 -2.12 119.74 116.31 1ssq s LYS 215 Ca 0.60 -0.22 -0.10 0.00 -1.56 0.00 0.00 55.97 54.68 1ssq s LYS 215 Cb -0.14 -1.53 -0.03 0.00 -1.46 0.00 0.00 37.83 34.67 1ssq s LYS 215 CO 0.55 -0.26 0.17 0.42 0.16 0.00 0.00 175.35 176.38 1ssq s ILE 216 N 1.71 4.98 0.62 5.43 -1.09 -0.07 -1.75 121.20 131.02 1ssq s ILE 216 Ca 0.05 -0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.19 1ssq s ILE 216 Cb -0.13 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1ssq s ILE 216 CO -0.08 0.17 1.20 -0.83 -1.23 0.00 0.00 174.94 174.18 1ssq s GLY 217 N 1.70 2.65 0.40 6.18 0.00 -0.16 -0.50 107.32 117.58 1ssq s GLY 217 Ca 0.06 0.96 -0.26 0.00 0.00 0.00 0.00 44.72 45.48 1ssq s GLY 217 CO 0.09 1.35 1.30 0.00 0.00 0.00 0.00 173.10 175.84 1ssq n ALA 218 N -1.80 1.41 -1.49 3.20 0.00 -1.26 -2.53 120.51 118.04 1ssq n ALA 218 Ca 0.13 0.30 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 1ssq n ALA 218 Cb 0.50 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.60 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 0.38 -5.22 -4.91 0.00 5.03 0.21 -4.83 115.26 105.92 1ssq n ASN 219 Ca 0.06 0.42 -0.28 0.00 0.87 0.00 0.00 54.58 55.64 1ssq n ASN 219 Cb 0.39 -4.20 0.04 0.00 -1.02 0.00 0.00 39.78 34.99 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 -2.75 5.42 -0.29 6.41 0.01 -1.05 -4.72 113.70 116.72 1ssq s SER 220 Ca 0.00 0.81 0.01 0.00 1.31 0.00 0.00 55.95 58.08 1ssq s SER 220 Cb 0.00 -1.69 0.09 0.00 0.21 0.00 0.00 66.02 64.63 1ssq s SER 220 CO 0.00 -1.24 0.03 -0.69 0.41 0.00 0.00 173.24 171.75 1ssq s VAL 221 N -3.15 1.54 -0.25 3.43 1.01 -0.64 -0.58 120.40 121.77 1ssq s VAL 221 Ca 0.56 -1.65 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1ssq s VAL 221 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1ssq s VAL 221 CO 0.47 -0.47 0.40 -0.69 0.00 0.00 0.00 175.10 174.82 1ssq s VAL 222 N 1.31 5.17 0.00 2.92 1.01 0.55 0.09 120.40 131.45 1ssq s VAL 222 Ca 0.05 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1ssq s VAL 222 Cb -0.18 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1ssq s VAL 222 CO -0.13 0.18 0.18 0.18 0.00 0.00 0.00 175.10 175.50 1ssq n LEU 223 N 5.08 0.36 -4.26 3.92 4.77 -1.26 -1.57 117.00 124.04 1ssq n LEU 223 Ca -0.08 -0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 55.19 1ssq n LEU 223 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1ssq n LEU 223 CO 0.38 0.09 -0.43 0.20 -1.33 0.00 0.00 177.39 176.30 1ssq s ASN 224 N -0.38 2.01 0.59 -1.43 0.01 -1.26 -4.96 114.94 109.52 1ssq s ASN 224 Ca 0.00 -0.93 -0.18 0.00 -0.71 0.00 0.00 52.86 51.04 1ssq s ASN 224 Cb 0.00 -0.06 -0.06 0.00 0.41 0.00 0.00 41.25 41.54 1ssq s ASN 224 CO 0.00 -0.22 0.81 -2.65 -1.51 0.00 0.00 177.10 173.53 1ssq n PRO 225 N 0.08 0.75 -4.64 -0.60 -0.02 -1.26 -4.91 135.00 124.40 1ssq n PRO 225 Ca -0.12 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.34 1ssq n PRO 225 Cb 0.59 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.58 1.88 0.60 -1.45 1.01 -0.35 -5.01 120.40 115.50 1ssq s VAL 226 Ca 0.73 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1ssq s VAL 226 Cb -0.43 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1ssq s VAL 226 CO 0.49 0.52 1.19 -2.84 0.00 0.00 0.00 175.10 174.47 1ssq s PRO 227 N 0.83 2.97 0.44 2.72 0.02 -1.26 0.10 135.00 140.82 1ssq s PRO 227 Ca -0.08 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 62.49 1ssq s PRO 227 Cb -0.15 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 1ssq s PRO 227 CO -0.01 -1.20 1.03 0.39 -0.33 0.00 0.00 177.00 176.88 1ssq n GLU 228 N -1.64 1.36 -0.92 5.54 1.02 -1.26 -1.36 120.64 123.38 1ssq n GLU 228 Ca 0.13 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1ssq n GLU 228 Cb 0.50 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1ssq n GLU 228 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ssq n TYR 229 N -0.59 0.00 -2.93 -0.32 4.02 -0.66 -4.90 117.16 111.77 1ssq n TYR 229 Ca 0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.72 1ssq n TYR 229 Cb 0.40 -1.84 -0.01 0.00 -0.02 0.00 0.00 39.34 37.87 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 -1.05 3.50 -0.16 -0.72 0.00 -0.46 -1.25 121.76 121.61 1ssq s ALA 230 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1ssq s ALA 230 Cb 0.00 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.70 1ssq s ALA 230 CO 0.00 -0.16 -0.18 0.99 0.00 0.00 0.00 175.76 176.41 1ssq s THR 231 N -2.52 1.86 -0.12 0.00 2.01 0.82 -0.65 115.64 117.04 1ssq s THR 231 Ca 0.45 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1ssq s THR 231 Cb -0.10 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1ssq s THR 231 CO 0.39 0.51 -0.02 0.00 -0.69 0.00 0.00 174.62 174.81 1ssq s ALA 232 N 1.32 3.12 -0.07 7.40 0.00 -0.72 -0.99 121.76 131.82 1ssq s ALA 232 Ca 0.04 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 1ssq s ALA 232 Cb -0.13 -1.49 0.05 0.00 0.00 0.00 0.00 23.12 21.55 1ssq s ALA 232 CO -0.11 0.41 0.50 0.00 0.00 0.00 0.00 175.76 176.56 1ssq s ALA 233 N -0.30 -1.26 0.00 0.00 0.00 -0.60 -0.98 121.76 118.61 1ssq s ALA 233 Ca 0.06 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1ssq s ALA 233 Cb -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1ssq s ALA 233 CO 0.02 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1ssq n GLY 234 N 1.54 2.27 2.78 0.00 0.00 -1.26 -1.68 105.19 108.83 1ssq n GLY 234 Ca -0.19 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.04 1.28 0.74 1.61 1.01 -1.26 -0.94 120.40 120.80 1ssq s VAL 235 Ca 0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 61.98 59.95 1ssq s VAL 235 Cb 0.00 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.48 1ssq s VAL 235 CO 0.00 -0.73 1.08 -2.84 0.00 0.00 0.00 175.10 172.61 1ssq s PRO 236 N 1.11 2.52 0.42 2.72 0.02 -1.26 -5.03 135.00 135.50 1ssq s PRO 236 Ca 0.12 0.83 -0.24 0.00 0.02 0.00 0.00 61.00 61.73 1ssq s PRO 236 Cb -0.20 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 1ssq s PRO 236 CO -0.15 -1.36 1.15 0.00 -0.33 0.00 0.00 177.00 176.32 1ssq s ALA 237 N -3.08 3.08 0.06 -1.55 0.00 0.11 -4.84 121.76 115.54 1ssq s ALA 237 Ca 0.59 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.52 1ssq s ALA 237 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1ssq s ALA 237 CO 0.55 -0.53 -0.13 1.03 0.00 0.00 0.00 175.76 176.68 1ssq s ARG 238 N -2.46 0.76 -0.57 0.00 1.81 -0.68 -4.84 118.95 112.97 1ssq s ARG 238 Ca 0.59 -0.86 -0.28 0.00 -1.72 0.00 0.00 55.73 53.46 1ssq s ARG 238 Cb -0.29 -0.72 0.02 0.00 -0.45 0.00 0.00 34.95 33.51 1ssq s ARG 238 CO 0.36 0.16 1.39 0.42 -0.68 0.00 0.00 175.30 176.95 1ssq s ILE 239 N -1.20 3.80 -0.11 1.52 -1.09 -1.26 -1.56 121.20 121.29 1ssq s ILE 239 Ca -0.03 0.68 0.17 0.00 -2.23 0.00 0.00 60.65 59.24 1ssq s ILE 239 Cb -0.09 -4.47 -0.18 0.00 -1.58 0.00 0.00 42.46 36.13 1ssq s ILE 239 CO 0.02 -1.20 0.68 1.33 -1.23 0.00 0.00 174.94 174.54 1ssq n VAL 240 N 6.83 1.21 -3.73 2.92 0.24 -0.17 -5.00 118.33 120.64 1ssq n VAL 240 Ca 0.12 -0.72 -0.07 0.00 -2.04 0.00 0.00 64.34 61.63 1ssq n VAL 240 Cb 0.49 -0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 32.13 1ssq n VAL 240 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ssq s SER 241 N -5.72 -0.31 -0.09 -1.34 1.04 -1.20 -5.02 113.70 101.07 1ssq s SER 241 Ca -0.04 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 55.92 1ssq s SER 241 Cb 0.09 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.87 1ssq s SER 241 CO 0.82 -1.13 0.22 -1.58 0.98 0.00 0.00 173.24 172.55 1ssq s GLN 242 N -3.69 0.21 -0.08 4.02 0.74 -1.26 -0.13 119.66 119.47 1ssq s GLN 242 Ca 0.09 0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1ssq s GLN 242 Cb -0.04 -0.02 0.02 0.00 1.10 0.00 0.00 33.01 34.07 1ssq s GLN 242 CO 0.01 -0.10 -0.06 0.34 -0.55 0.00 0.00 175.29 174.93 1ssq s ASP 243 N 0.74 1.69 0.00 6.67 -1.08 -0.38 -5.01 116.67 119.31 1ssq s ASP 243 Ca -0.05 -0.21 0.23 0.00 -0.52 0.00 0.00 52.55 52.00 1ssq s ASP 243 Cb -0.07 -0.66 0.44 0.00 -1.46 0.00 0.00 42.92 41.18 1ssq s ASP 243 CO -0.04 -0.09 1.41 2.29 0.52 0.00 0.00 175.17 179.25 1ssq n LYS 244 N 4.58 2.40 -0.12 4.34 -0.00 -1.26 -4.16 118.16 123.93 1ssq n LYS 244 Ca -0.16 -2.10 -0.20 0.00 -0.00 0.00 0.00 58.31 55.86 1ssq n LYS 244 Cb 0.50 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.92 1ssq n LYS 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ssq n ALA 245 N 1.33 1.38 -0.84 0.58 0.00 -1.26 -5.02 120.51 116.68 1ssq n ALA 245 Ca 0.18 -1.08 -0.33 0.00 0.00 0.00 0.00 53.44 52.21 1ssq n ALA 245 Cb 0.57 -0.10 0.11 0.00 0.00 0.00 0.00 19.45 20.04 1ssq n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssq n ALA 246 N -3.37 -2.65 -3.31 0.00 0.00 -1.26 -4.99 120.51 104.92 1ssq n ALA 246 Ca -0.46 -0.59 -0.25 0.00 0.00 0.00 0.00 53.44 52.14 1ssq n ALA 246 Cb 0.98 -1.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 1ssq n ALA 246 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ssq n LYS 247 N -1.45 0.34 -0.31 0.00 5.02 -1.26 -5.01 118.16 115.50 1ssq n LYS 247 Ca 0.07 -3.15 0.11 0.00 -2.02 0.00 0.00 58.31 53.32 1ssq n LYS 247 Cb 0.53 -1.53 0.24 0.00 -0.02 0.00 0.00 35.03 34.25 1ssq n LYS 247 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1ssq h PRO 248 N 5.14 0.07 -0.16 1.97 0.11 -1.76 0.86 132.00 138.23 1ssq h PRO 248 Ca 0.21 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1ssq h PRO 248 Cb 0.91 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1ssq h PRO 248 CO 0.39 0.05 -0.01 0.00 -0.21 0.00 0.00 178.00 178.21 1ssq h ALA 249 N 1.86 1.69 0.09 -0.75 0.00 -0.91 -1.92 119.26 119.31 1ssq h ALA 249 Ca 0.53 -0.11 -0.36 0.00 0.00 0.00 0.00 54.91 54.97 1ssq h ALA 249 Cb 1.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1ssq h ALA 249 CO -0.79 0.24 -2.03 1.97 0.00 0.00 0.00 179.25 178.64 1ssq n PHE 250 N -4.39 1.03 -0.09 0.00 -0.00 -0.27 -4.41 117.46 109.33 1ssq n PHE 250 Ca -0.01 0.24 -0.13 0.00 -0.00 0.00 0.00 57.45 57.56 1ssq n PHE 250 Cb 0.18 -1.14 -0.04 0.00 -0.00 0.00 0.00 39.48 38.47 1ssq n PHE 250 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1ssq h ASP 251 N 0.05 0.67 -3.77 5.98 3.32 -0.92 -3.45 116.42 118.30 1ssq h ASP 251 Ca -0.43 -0.45 -0.36 0.00 0.02 0.00 0.00 57.03 55.82 1ssq h ASP 251 Cb 2.02 -0.19 0.04 0.00 0.22 0.00 0.00 39.33 41.43 1ssq h ASP 251 CO 0.06 0.97 -0.52 0.23 -1.72 0.00 0.00 179.24 178.26 1ssq n MET 252 N -4.35 -3.91 -2.72 3.56 2.81 -0.73 -4.93 117.12 106.86 1ssq n MET 252 Ca -0.04 0.81 -0.43 0.00 -1.81 0.00 0.00 57.70 56.24 1ssq n MET 252 Cb 0.42 -5.43 -0.03 0.00 -0.71 0.00 0.00 33.22 27.47 1ssq n MET 252 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1ssq s ASN 253 N -2.66 6.75 0.18 7.83 3.84 -1.26 -4.91 114.94 124.71 1ssq s ASN 253 Ca 0.23 0.72 0.23 0.00 0.21 0.00 0.00 52.86 54.24 1ssq s ASN 253 Cb -0.10 -2.50 0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1ssq s ASN 253 CO 0.28 -0.93 1.06 1.67 -2.79 0.00 0.00 177.10 176.40 1ssq n GLN 254 N 6.97 0.55 -2.17 0.43 -0.06 -1.26 -4.95 117.38 116.89 1ssq n GLN 254 Ca 0.09 0.10 -0.37 0.00 -2.00 0.00 0.00 57.00 54.83 1ssq n GLN 254 Cb 0.48 -1.79 0.01 0.00 -4.06 0.00 0.00 30.24 24.88 1ssq n GLN 254 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 1ssq s TYR 255 N -3.33 2.69 0.10 3.69 5.04 -1.26 -4.74 117.35 119.54 1ssq s TYR 255 Ca 0.00 1.52 -0.26 0.00 -2.44 0.00 0.00 57.07 55.89 1ssq s TYR 255 Cb 0.10 -3.42 0.08 0.00 0.35 0.00 0.00 41.96 39.07 1ssq s TYR 255 CO 0.79 -1.79 0.79 -0.59 -1.34 0.00 0.00 175.55 173.40 1ssq s PHE 256 N -1.58 -0.37 -1.09 4.97 -0.12 -1.26 -5.07 117.98 113.47 1ssq s PHE 256 Ca 0.69 0.15 0.09 0.00 -0.05 0.00 0.00 56.93 57.81 1ssq s PHE 256 Cb -0.29 0.58 0.07 0.00 -0.63 0.00 0.00 43.02 42.74 1ssq s PHE 256 CO 0.34 -0.75 0.78 0.44 -0.05 0.00 0.00 175.22 175.98