#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssm h LEU 3 N 0.00 0.33 -0.09 -4.42 3.38 -2.00 -0.33 115.31 112.18 1ssm h LEU 3 Ca 0.00 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1ssm h LEU 3 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ssm h LEU 3 CO 0.00 0.23 -1.03 0.44 0.09 0.00 0.00 178.44 178.16 1ssm h ASP 4 N 0.38 0.48 -0.67 -0.43 3.32 -2.05 -0.76 116.42 116.69 1ssm h ASP 4 Ca 0.15 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 1ssm h ASP 4 Cb 0.12 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1ssm h ASP 4 CO -0.03 1.25 0.22 0.58 -1.72 0.00 0.00 179.24 179.54 1ssm h VAL 5 N 0.17 1.25 0.33 -1.35 2.07 -1.82 -0.95 116.25 115.96 1ssm h VAL 5 Ca -0.10 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1ssm h VAL 5 Cb 1.70 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1ssm h VAL 5 CO 0.17 0.33 -0.16 -0.25 0.02 0.00 0.00 177.57 177.68 1ssm h TRP 6 N 0.98 -0.42 -0.82 1.57 -0.00 -1.01 -0.56 115.95 115.69 1ssm h TRP 6 Ca 0.22 -0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.23 1ssm h TRP 6 Cb 0.28 0.14 -0.09 0.00 -0.00 0.00 0.00 29.16 29.49 1ssm h TRP 6 CO 0.02 -0.16 0.42 1.96 -0.00 0.00 0.00 178.44 180.68 1ssm h GLN 7 N -0.62 0.60 -0.68 2.65 1.08 -1.02 0.32 115.11 117.44 1ssm h GLN 7 Ca -0.05 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 1ssm h GLN 7 Cb 0.45 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1ssm h GLN 7 CO 0.08 0.40 0.24 0.45 -0.95 0.00 0.00 178.83 179.04 1ssm h HIS 8 N 0.62 1.08 -0.43 2.96 3.86 -1.03 -1.35 115.15 120.86 1ssm h HIS 8 Ca 0.44 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 1ssm h HIS 8 Cb 0.60 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1ssm h HIS 8 CO -0.10 0.85 0.19 0.82 0.86 0.00 0.00 177.93 180.56 1ssm h ILE 9 N 0.99 1.19 -0.22 2.45 2.04 0.63 -1.13 117.51 123.46 1ssm h ILE 9 Ca 0.22 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1ssm h ILE 9 Cb 0.27 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1ssm h ILE 9 CO -0.01 0.21 0.12 0.03 0.00 0.00 0.00 178.15 178.49 1ssm h ARG 10 N 0.55 0.24 -0.03 2.37 3.08 -0.93 0.95 114.38 120.60 1ssm h ARG 10 Ca 0.15 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1ssm h ARG 10 Cb 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1ssm h ARG 10 CO -0.02 0.16 -0.19 0.37 -1.07 0.00 0.00 179.97 179.22 1ssm h GLN 11 N 0.24 -0.28 -0.58 0.04 4.15 -0.94 -0.10 115.11 117.65 1ssm h GLN 11 Ca 0.09 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1ssm h GLN 11 Cb 0.01 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1ssm h GLN 11 CO -0.05 -0.19 0.31 0.93 -1.93 0.00 0.00 178.83 177.90 1ssm h GLU 12 N -0.29 0.81 -0.66 1.69 5.08 -0.99 -2.51 114.58 117.71 1ssm h GLU 12 Ca 0.07 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1ssm h GLU 12 Cb 0.38 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1ssm h GLU 12 CO -0.20 0.63 0.44 0.00 -1.00 0.00 0.00 179.01 178.88 1ssm h ALA 13 N 1.14 1.90 -0.27 3.43 0.00 0.15 0.43 119.26 126.04 1ssm h ALA 13 Ca 0.20 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ssm h ALA 13 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ssm h ALA 13 CO -0.03 -0.04 -0.28 0.87 0.00 0.00 0.00 179.25 179.77 1ssm h LYS 14 N 0.54 0.54 0.23 0.00 1.57 -0.60 -0.75 116.57 118.11 1ssm h LYS 14 Ca 0.30 -0.22 -0.34 0.00 -1.87 0.00 0.00 60.65 58.52 1ssm h LYS 14 Cb 0.47 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.78 1ssm h LYS 14 CO -0.10 0.77 -1.57 0.93 -0.57 0.00 0.00 179.45 178.92 1ssm h GLU 15 N 0.47 0.50 -0.59 3.15 4.39 -1.00 -2.88 114.58 118.62 1ssm h GLU 15 Ca 0.06 -0.85 0.05 0.00 0.34 0.00 0.00 59.36 58.97 1ssm h GLU 15 Cb 0.73 0.32 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1ssm h GLU 15 CO 0.06 1.40 0.31 -0.07 -1.16 0.00 0.00 179.01 179.55 1ssm h LEU 16 N 0.14 0.45 -0.79 1.33 -0.00 -0.12 -0.44 115.31 115.89 1ssm h LEU 16 Ca -0.28 0.03 0.04 0.00 -0.00 0.00 0.00 57.88 57.66 1ssm h LEU 16 Cb 2.15 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 42.71 1ssm h LEU 16 CO 0.25 0.30 0.50 0.00 -0.00 0.00 0.00 178.44 179.48 1ssm h ALA 17 N 1.31 1.04 -0.79 1.53 0.00 -1.20 -1.60 119.26 119.55 1ssm h ALA 17 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ssm h ALA 17 Cb 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ssm h ALA 17 CO -0.17 0.29 0.48 0.93 0.00 0.00 0.00 179.25 180.79 1ssm h GLU 18 N 0.96 1.06 0.00 0.00 4.39 -0.89 -2.83 114.58 117.26 1ssm h GLU 18 Ca 0.32 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1ssm h GLU 18 Cb 0.04 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1ssm h GLU 18 CO -0.12 0.74 0.00 -0.91 -1.16 0.00 0.00 179.01 177.56 1ssm h ASN 19 N 1.07 0.00 -3.18 1.42 4.21 -0.84 -3.40 115.58 114.86 1ssm h ASN 19 Ca 0.28 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 57.19 1ssm h ASN 19 Cb -0.06 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 36.74 1ssm h ASN 19 CO -0.05 0.00 -0.77 -0.70 -1.29 0.00 0.00 177.43 174.61 1ssm s GLU 20 N -3.28 1.15 0.00 0.81 2.56 -0.64 -5.09 118.70 114.21 1ssm s GLU 20 Ca 0.06 -1.93 0.00 0.00 0.00 0.00 0.00 54.97 53.11 1ssm s GLU 20 Cb 0.07 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 34.12 1ssm s GLU 20 CO 0.62 -1.20 0.05 -2.30 -0.56 0.00 0.00 175.26 171.88 1ssm n PRO 21 N 3.52 0.00 0.00 4.30 -0.02 -1.26 -2.17 135.00 139.38 1ssm n PRO 21 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1ssm n PRO 21 Cb 0.36 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1ssm n PRO 21 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1ssm n LEU 23 N 1.95 0.00 -0.29 2.45 7.94 -1.26 -4.59 117.00 123.21 1ssm n LEU 23 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1ssm n LEU 23 Cb 0.00 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.10 1ssm n LEU 23 CO 0.03 0.00 1.20 0.00 -1.11 0.00 0.00 177.39 177.51 1ssm h ALA 24 N 0.00 1.29 -0.70 1.96 0.00 -1.68 -1.37 119.26 118.75 1ssm h ALA 24 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ssm h ALA 24 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1ssm h ALA 24 CO 0.00 0.60 0.46 0.66 0.00 0.00 0.00 179.25 180.98 1ssm h SER 25 N 1.16 0.80 0.27 0.00 4.64 -1.90 -1.40 113.55 117.11 1ssm h SER 25 Ca 0.30 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1ssm h SER 25 Cb -0.03 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1ssm h SER 25 CO -0.05 0.58 -0.13 0.15 -0.87 0.00 0.00 176.83 176.50 1ssm h PHE 26 N 0.94 -0.34 -0.93 4.77 3.57 -1.81 0.27 116.94 123.42 1ssm h PHE 26 Ca 0.26 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1ssm h PHE 26 Cb -0.10 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1ssm h PHE 26 CO -0.03 -0.21 0.61 0.74 -2.23 0.00 0.00 178.31 177.19 1ssm h PHE 27 N -0.36 1.11 -0.18 0.41 -1.00 -1.00 -0.94 116.94 114.97 1ssm h PHE 27 Ca -0.03 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1ssm h PHE 27 Cb 0.28 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 1ssm h PHE 27 CO -0.06 0.61 -0.03 0.45 -1.61 0.00 0.00 178.31 177.67 1ssm h HIS 28 N 1.12 0.39 -0.40 -0.55 3.86 -1.00 0.75 115.15 119.31 1ssm h HIS 28 Ca 0.38 -0.08 -0.16 0.00 -1.16 0.00 0.00 60.37 59.36 1ssm h HIS 28 Cb 0.09 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1ssm h HIS 28 CO -0.00 0.59 -0.36 0.77 0.86 0.00 0.00 177.93 179.80 1ssm h SER 29 N 0.07 1.01 0.69 2.45 0.02 -0.74 -1.92 113.55 115.13 1ssm h SER 29 Ca 0.05 -0.45 -0.26 0.00 -0.84 0.00 0.00 61.79 60.29 1ssm h SER 29 Cb 0.46 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1ssm h SER 29 CO 0.02 1.25 -1.27 0.71 -1.14 0.00 0.00 176.83 176.40 1ssm h THR 30 N 0.78 1.44 0.00 -2.27 1.35 -1.23 -3.44 112.91 109.54 1ssm h THR 30 Ca 0.07 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.84 1ssm h THR 30 Cb 0.95 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 1ssm h THR 30 CO 0.09 0.87 0.00 -0.38 -0.25 0.00 0.00 175.52 175.85 1ssm n ILE 31 N -3.42 0.60 0.26 6.82 5.41 0.21 -4.57 119.36 124.66 1ssm n ILE 31 Ca -0.08 0.20 0.17 0.00 1.00 0.00 0.00 62.75 64.04 1ssm n ILE 31 Cb 1.01 -1.18 0.90 0.00 -0.71 0.00 0.00 39.64 39.66 1ssm n ILE 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ssm h LEU 32 N 0.00 0.00 -0.40 1.39 3.38 -1.39 -1.16 115.31 117.12 1ssm h LEU 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ssm h LEU 32 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ssm h LEU 32 CO 0.00 0.00 -0.13 2.29 0.09 0.00 0.00 178.44 180.69 1ssm n LYS 33 N -3.66 0.90 -3.56 1.13 2.85 -0.73 -4.87 118.16 110.22 1ssm n LYS 33 Ca -0.01 -0.40 -0.20 0.00 -1.05 0.00 0.00 58.31 56.65 1ssm n LYS 33 Cb 0.23 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.11 1ssm n LYS 33 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1ssm s HIS 34 N -2.38 3.23 -1.45 5.58 3.76 -0.44 -5.03 115.29 118.56 1ssm s HIS 34 Ca 0.30 -0.11 0.15 0.00 -0.15 0.00 0.00 55.06 55.25 1ssm s HIS 34 Cb 0.20 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 32.00 1ssm s HIS 34 CO 0.46 0.08 0.84 1.04 -0.85 0.00 0.00 174.74 176.31 1ssm n GLN 35 N -1.62 1.66 -3.72 1.40 6.02 -1.26 -5.01 117.38 114.85 1ssm n GLN 35 Ca -0.03 -0.88 -0.06 0.00 -0.01 0.00 0.00 57.00 56.03 1ssm n GLN 35 Cb 0.58 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.58 1ssm n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ssm s ASN 36 N -1.69 -0.27 0.34 1.08 2.20 -1.26 -5.04 114.94 110.30 1ssm s ASN 36 Ca 0.13 -0.37 0.02 0.00 -0.94 0.00 0.00 52.86 51.70 1ssm s ASN 36 Cb 0.12 0.56 0.61 0.00 -2.00 0.00 0.00 41.25 40.54 1ssm s ASN 36 CO 0.34 -1.01 1.99 0.25 -2.94 0.00 0.00 177.10 175.73 1ssm h LEU 37 N 2.00 0.76 -0.39 3.54 5.85 -1.95 -2.32 115.31 122.81 1ssm h LEU 37 Ca -0.23 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1ssm h LEU 37 Cb 1.25 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1ssm h LEU 37 CO 0.27 0.54 0.15 1.23 -0.34 0.00 0.00 178.44 180.29 1ssm h GLY 38 N 0.90 0.50 0.97 3.75 0.00 -1.96 0.81 103.07 108.04 1ssm h GLY 38 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ssm h GLY 38 CO -0.06 0.04 0.07 -1.33 0.00 0.00 0.00 176.54 175.25 1ssm h GLY 39 N 0.31 0.16 0.92 4.60 0.00 -1.83 -0.75 103.07 106.47 1ssm h GLY 39 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ssm h GLY 39 CO -0.17 0.06 -0.02 0.00 0.00 0.00 0.00 176.54 176.41 1ssm h ALA 40 N 1.00 -0.07 -0.24 3.60 0.00 -1.23 -1.43 119.26 120.89 1ssm h ALA 40 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ssm h ALA 40 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ssm h ALA 40 CO -0.01 -0.50 0.15 1.25 0.00 0.00 0.00 179.25 180.15 1ssm h LEU 41 N -0.15 0.29 -0.60 0.00 5.85 -0.80 0.13 115.31 120.03 1ssm h LEU 41 Ca -0.01 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ssm h LEU 41 Cb 0.13 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1ssm h LEU 41 CO 0.01 0.23 0.40 0.77 -0.34 0.00 0.00 178.44 179.51 1ssm h SER 42 N 0.31 0.68 -0.23 1.25 4.64 -1.08 0.40 113.55 119.52 1ssm h SER 42 Ca 0.09 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1ssm h SER 42 Cb -0.00 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1ssm h SER 42 CO -0.02 0.49 0.09 0.22 -0.87 0.00 0.00 176.83 176.74 1ssm h TYR 43 N 0.81 0.16 0.19 4.77 5.03 -0.68 0.24 116.97 127.49 1ssm h TYR 43 Ca 0.22 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 1ssm h TYR 43 Cb -0.08 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.16 1ssm h TYR 43 CO -0.03 0.09 -0.09 -0.07 -1.32 0.00 0.00 178.16 176.73 1ssm h LEU 44 N 0.20 -0.21 -0.79 2.82 3.38 -0.34 -2.29 115.31 118.08 1ssm h LEU 44 Ca 0.10 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1ssm h LEU 44 Cb 0.05 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ssm h LEU 44 CO -0.09 -0.15 -0.20 -0.07 0.09 0.00 0.00 178.44 178.02 1ssm h LEU 45 N -0.25 0.69 -0.83 1.67 3.38 -0.82 -1.68 115.31 117.47 1ssm h LEU 45 Ca -0.03 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1ssm h LEU 45 Cb 0.19 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1ssm h LEU 45 CO 0.04 0.89 0.37 0.00 0.09 0.00 0.00 178.44 179.83 1ssm h ALA 46 N 1.17 1.07 -0.28 1.53 0.00 -0.81 -0.25 119.26 121.69 1ssm h ALA 46 Ca 0.09 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1ssm h ALA 46 Cb 0.68 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ssm h ALA 46 CO 0.05 0.67 -0.55 -0.91 0.00 0.00 0.00 179.25 178.51 1ssm h ASN 47 N 1.19 0.96 0.20 0.00 2.35 -1.19 -1.86 115.58 117.24 1ssm h ASN 47 Ca 0.28 -0.52 -0.11 0.00 -0.55 0.00 0.00 56.30 55.41 1ssm h ASN 47 Cb 0.17 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1ssm h ASN 47 CO -0.03 1.31 -0.39 0.11 -1.65 0.00 0.00 177.43 176.78 1ssm h LYS 48 N 0.66 0.27 0.00 0.81 1.79 -1.05 -3.07 116.57 115.97 1ssm h LYS 48 Ca 0.01 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1ssm h LYS 48 Cb 1.16 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1ssm h LYS 48 CO 0.12 0.62 -0.67 1.28 -1.08 0.00 0.00 179.45 179.73 1ssm n LEU 49 N -4.04 0.60 -4.71 2.94 4.77 -0.13 -4.86 117.00 111.57 1ssm n LEU 49 Ca -0.01 -0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.59 1ssm n LEU 49 Cb 0.47 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1ssm n LEU 49 CO 0.42 0.10 0.83 0.00 -1.33 0.00 0.00 177.39 177.41 1ssm s ALA 50 N -3.06 2.11 0.33 -1.18 0.00 -0.70 -4.99 121.76 114.27 1ssm s ALA 50 Ca 0.09 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1ssm s ALA 50 Cb 0.16 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1ssm s ALA 50 CO 0.74 -1.94 0.62 0.54 0.00 0.00 0.00 175.76 175.72 1ssm s ASN 51 N -1.79 0.23 0.48 0.00 2.20 -1.26 -4.95 114.94 109.85 1ssm s ASN 51 Ca 0.78 -1.14 0.13 0.00 -0.94 0.00 0.00 52.86 51.69 1ssm s ASN 51 Cb -0.33 0.72 1.13 0.00 -2.00 0.00 0.00 41.25 40.78 1ssm s ASN 51 CO 0.45 -1.41 2.11 -0.65 -2.94 0.00 0.00 177.10 174.66 1ssm h PRO 52 N 2.09 0.19 -0.90 3.55 0.11 -2.04 -2.98 132.00 132.01 1ssm h PRO 52 Ca -0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1ssm h PRO 52 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ssm h PRO 52 CO 0.37 0.12 0.01 -0.89 -0.21 0.00 0.00 178.00 177.40 1ssm n ILE 53 N -4.51 0.79 -3.54 4.15 5.41 -1.26 -5.12 119.36 115.28 1ssm n ILE 53 Ca -0.00 -0.38 -0.09 0.00 1.00 0.00 0.00 62.75 63.28 1ssm n ILE 53 Cb 0.10 -0.48 -0.03 0.00 -0.71 0.00 0.00 39.64 38.52 1ssm n ILE 53 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1ssm s PRO 55 N -1.42 0.70 0.28 0.38 0.02 -1.13 -5.11 135.00 128.72 1ssm s PRO 55 Ca 0.14 -0.13 -0.00 0.00 0.02 0.00 0.00 61.00 61.03 1ssm s PRO 55 Cb 0.11 0.32 0.64 0.00 0.02 0.00 0.00 34.50 35.60 1ssm s PRO 55 CO 0.04 -0.28 1.64 0.00 -0.33 0.00 0.00 177.00 178.08 1ssm h ALA 56 N 2.19 1.16 -0.29 -1.55 0.00 -1.86 0.70 119.26 119.61 1ssm h ALA 56 Ca -0.20 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ssm h ALA 56 Cb 1.21 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1ssm h ALA 56 CO 0.30 -0.45 -0.03 0.97 0.00 0.00 0.00 179.25 180.04 1ssm h ILE 57 N 0.19 1.19 -0.01 0.00 2.10 -2.00 -1.29 117.51 117.68 1ssm h ILE 57 Ca 0.52 -0.77 -0.24 0.00 1.08 0.00 0.00 64.86 65.45 1ssm h ILE 57 Cb 1.01 1.00 0.01 0.00 -1.09 0.00 0.00 36.82 37.76 1ssm h ILE 57 CO -0.66 0.26 -0.98 0.28 -1.08 0.00 0.00 178.15 175.97 1ssm h SER 58 N 0.43 0.73 -0.19 2.19 0.02 -0.09 -3.32 113.55 113.32 1ssm h SER 58 Ca 0.09 -0.57 -0.15 0.00 -0.84 0.00 0.00 61.79 60.32 1ssm h SER 58 Cb 0.33 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1ssm h SER 58 CO 0.01 1.37 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.60 1ssm h LEU 59 N 0.32 0.78 -0.96 5.07 3.38 -0.64 -3.28 115.31 119.98 1ssm h LEU 59 Ca -0.10 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.59 1ssm h LEU 59 Cb 1.62 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 1ssm h LEU 59 CO 0.18 1.09 0.61 -0.09 0.09 0.00 0.00 178.44 180.32 1ssm h ARG 60 N 0.60 1.04 -0.27 1.13 2.43 -1.34 0.27 114.38 118.24 1ssm h ARG 60 Ca 0.05 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ssm h ARG 60 Cb 0.95 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1ssm h ARG 60 CO 0.09 0.69 0.14 1.49 -1.51 0.00 0.00 179.97 180.87 1ssm h GLU 61 N 1.07 0.37 -0.30 0.20 4.81 -1.66 0.24 114.58 119.30 1ssm h GLU 61 Ca 0.43 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 1ssm h GLU 61 Cb 0.23 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1ssm h GLU 61 CO -0.19 0.28 -0.13 0.82 -0.73 0.00 0.00 179.01 179.06 1ssm h ILE 62 N 0.38 1.29 -0.45 2.32 2.04 -0.56 -2.46 117.51 120.07 1ssm h ILE 62 Ca 0.10 -1.21 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 1ssm h ILE 62 Cb 0.02 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1ssm h ILE 62 CO -0.02 0.39 -0.22 0.40 0.00 0.00 0.00 178.15 178.70 1ssm h ILE 63 N 0.38 1.27 -0.01 -0.67 2.04 -0.52 -2.25 117.51 117.75 1ssm h ILE 63 Ca 0.07 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.47 1ssm h ILE 63 Cb 0.64 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1ssm h ILE 63 CO 0.04 0.47 -0.37 -0.33 0.00 0.00 0.00 178.15 177.96 1ssm h GLU 64 N 0.78 0.02 0.14 2.37 5.08 -0.61 0.98 114.58 123.34 1ssm h GLU 64 Ca 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1ssm h GLU 64 Cb 0.80 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ssm h GLU 64 CO 0.07 0.39 -0.07 1.49 -1.00 0.00 0.00 179.01 179.89 1ssm h GLU 65 N 0.02 -0.18 -0.94 2.33 4.22 -1.14 -1.52 114.58 117.36 1ssm h GLU 65 Ca -0.00 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.55 1ssm h GLU 65 Cb 0.67 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1ssm h GLU 65 CO 0.05 0.10 0.60 0.00 -2.18 0.00 0.00 179.01 177.58 1ssm h ALA 66 N 0.35 1.59 -0.01 2.92 0.00 -0.76 -1.80 119.26 121.55 1ssm h ALA 66 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1ssm h ALA 66 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ssm h ALA 66 CO 0.03 0.21 -0.77 1.88 0.00 0.00 0.00 179.25 180.59 1ssm h TYR 67 N 0.94 0.21 0.00 0.00 0.99 -0.69 -2.03 116.97 116.38 1ssm h TYR 67 Ca 0.44 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 61.07 1ssm h TYR 67 Cb 0.43 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.13 1ssm h TYR 67 CO -0.00 0.86 0.00 0.37 -0.00 0.00 0.00 178.16 179.39 1ssm h GLN 68 N 0.09 0.00 0.00 4.88 5.75 -0.55 -2.77 115.11 122.51 1ssm h GLN 68 Ca -0.02 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1ssm h GLN 68 Cb 1.36 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.90 1ssm h GLN 68 CO 0.11 0.00 -1.68 0.43 -2.65 0.00 0.00 178.83 175.05 1ssm n SER 69 N -3.08 0.35 -3.23 -0.69 7.64 -0.75 -4.58 113.62 109.28 1ssm n SER 69 Ca 0.03 0.14 -0.22 0.00 1.01 0.00 0.00 58.87 59.83 1ssm n SER 69 Cb 0.43 1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 64.78 1ssm n SER 69 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ssm n ASN 70 N -2.51 -0.95 0.28 6.43 5.15 -0.78 -4.98 115.26 117.90 1ssm n ASN 70 Ca -0.06 -2.55 0.17 0.00 -0.60 0.00 0.00 54.58 51.54 1ssm n ASN 70 Cb 0.66 -0.11 0.94 0.00 -0.53 0.00 0.00 39.78 40.74 1ssm n ASN 70 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ssm h PRO 71 N 5.20 0.00 -0.36 1.20 0.11 -1.73 -2.63 132.00 133.78 1ssm h PRO 71 Ca 0.19 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.40 1ssm h PRO 71 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ssm h PRO 71 CO 0.33 0.00 0.31 0.66 -0.21 0.00 0.00 178.00 179.08 1ssm h SER 72 N 0.00 0.00 -0.88 -2.05 4.64 -1.94 -2.39 113.55 110.93 1ssm h SER 72 Ca 0.03 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.46 1ssm h SER 72 Cb 0.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 1ssm h SER 72 CO -0.00 0.00 0.51 0.40 -0.87 0.00 0.00 176.83 176.87 1ssm h ILE 73 N 0.00 0.87 -0.22 0.95 2.04 -1.83 -0.92 117.51 118.40 1ssm h ILE 73 Ca 0.17 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 1ssm h ILE 73 Cb 0.78 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1ssm h ILE 73 CO -0.00 0.15 -0.36 0.40 0.00 0.00 0.00 178.15 178.33 1ssm h ILE 74 N 0.81 1.29 -0.63 -0.67 2.04 -1.66 -2.08 117.51 116.61 1ssm h ILE 74 Ca 0.44 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1ssm h ILE 74 Cb 0.47 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1ssm h ILE 74 CO -0.28 0.46 0.23 0.44 0.00 0.00 0.00 178.15 179.00 1ssm h ASP 75 N 0.41 0.86 0.15 1.72 3.32 -1.29 -1.41 116.42 120.18 1ssm h ASP 75 Ca 0.04 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1ssm h ASP 75 Cb 0.82 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1ssm h ASP 75 CO 0.07 0.78 -0.26 0.00 -1.72 0.00 0.00 179.24 178.11 1ssm h ALA 77 N 1.57 0.30 -0.47 0.00 0.00 -0.65 -1.13 119.26 118.88 1ssm h ALA 77 Ca 0.03 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1ssm h ALA 77 Cb 0.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1ssm h ALA 77 CO 0.04 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.57 1ssm h ALA 78 N 0.77 0.60 -0.62 0.00 0.00 -1.06 -0.59 119.26 118.36 1ssm h ALA 78 Ca 0.06 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ssm h ALA 78 Cb 0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1ssm h ALA 78 CO 0.02 -0.11 0.41 0.00 0.00 0.00 0.00 179.25 179.56 1ssm h ASP 80 N 0.66 0.08 0.09 0.00 3.32 0.15 -2.31 116.42 118.41 1ssm h ASP 80 Ca 0.26 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ssm h ASP 80 Cb 0.20 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ssm h ASP 80 CO -0.08 0.61 -0.04 0.40 -1.72 0.00 0.00 179.24 178.41 1ssm h ILE 81 N 0.06 1.05 -0.60 0.35 2.04 0.11 -1.61 117.51 118.90 1ssm h ILE 81 Ca -0.00 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1ssm h ILE 81 Cb 0.98 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 1ssm h ILE 81 CO 0.07 0.12 0.38 1.56 0.00 0.00 0.00 178.15 180.29 1ssm h GLN 82 N -0.35 0.75 -0.57 2.37 4.20 -1.41 0.86 115.11 120.96 1ssm h GLN 82 Ca -0.01 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.75 1ssm h GLN 82 Cb 0.30 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 1ssm h GLN 82 CO 0.02 0.49 0.15 0.00 -0.67 0.00 0.00 178.83 178.82 1ssm h ALA 83 N 1.24 0.68 -0.06 3.87 0.00 -1.28 -0.15 119.26 123.56 1ssm h ALA 83 Ca 0.23 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 1ssm h ALA 83 Cb -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ssm h ALA 83 CO -0.07 -0.28 -0.55 0.28 0.00 0.00 0.00 179.25 178.63 1ssm h VAL 84 N 0.29 1.38 -0.09 0.00 2.07 -0.06 -1.64 116.25 118.20 1ssm h VAL 84 Ca 0.29 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.97 1ssm h VAL 84 Cb 0.40 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1ssm h VAL 84 CO -0.35 0.55 -0.16 -0.09 0.02 0.00 0.00 177.57 177.54 1ssm h ARG 85 N 0.13 -0.21 -0.01 1.57 2.43 0.86 -1.86 114.38 117.28 1ssm h ARG 85 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ssm h ARG 85 Cb 1.02 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1ssm h ARG 85 CO 0.08 -0.14 -0.58 -2.39 -1.51 0.00 0.00 179.97 175.43 1ssm n HIS 86 N -5.30 0.00 0.85 2.20 1.44 -0.60 -3.87 115.22 109.94 1ssm n HIS 86 Ca -0.04 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.80 1ssm n HIS 86 Cb 0.22 0.00 0.29 0.00 0.12 0.00 0.00 29.99 30.62 1ssm n HIS 86 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1ssm n ARG 87 N -0.39 0.10 -3.54 -1.40 1.74 -0.62 -4.32 116.66 108.23 1ssm n ARG 87 Ca 0.08 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.92 1ssm n ARG 87 Cb 0.42 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 1ssm n ARG 87 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ssm n ASP 88 N -1.73 2.27 0.22 0.55 -0.08 -0.71 -4.97 116.55 112.11 1ssm n ASP 88 Ca 0.05 -3.08 0.05 0.00 -1.51 0.00 0.00 54.79 50.30 1ssm n ASP 88 Cb 0.37 -0.68 0.08 0.00 2.34 0.00 0.00 41.12 43.24 1ssm n ASP 88 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ssm n PRO 89 N 1.63 0.03 0.27 -0.67 -0.02 -1.26 0.31 135.00 135.29 1ssm n PRO 89 Ca 0.25 0.94 0.16 0.00 -2.02 0.00 0.00 63.50 62.83 1ssm n PRO 89 Cb 0.42 -2.49 0.74 0.00 -0.02 0.00 0.00 33.50 32.14 1ssm n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ssm h ALA 90 N 0.10 1.06 -2.90 3.55 0.00 -1.93 -3.39 119.26 115.74 1ssm h ALA 90 Ca 0.09 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.27 1ssm h ALA 90 Cb 2.12 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 19.67 1ssm h ALA 90 CO -0.00 0.09 -0.57 0.08 0.00 0.00 0.00 179.25 178.84 1ssm s VAL 91 N -3.85 4.48 -0.04 0.00 1.01 0.92 -4.91 120.40 118.01 1ssm s VAL 91 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1ssm s VAL 91 Cb 0.11 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1ssm s VAL 91 CO 0.55 0.11 0.07 -0.62 0.00 0.00 0.00 175.10 175.21 1ssm n GLU 92 N 4.96 2.27 -3.51 2.72 -0.58 -1.26 -4.64 120.64 120.60 1ssm n GLU 92 Ca -0.14 -0.01 -0.37 0.00 -0.42 0.00 0.00 57.16 56.21 1ssm n GLU 92 Cb 0.49 -0.90 -0.07 0.00 -0.57 0.00 0.00 31.44 30.40 1ssm n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ssm s LEU 93 N -2.79 4.30 0.48 -4.62 1.43 -1.26 -4.96 118.68 111.26 1ssm s LEU 93 Ca -0.00 0.66 0.24 0.00 -1.03 0.00 0.00 54.13 53.99 1ssm s LEU 93 Cb 0.02 -2.46 1.20 0.00 0.03 0.00 0.00 46.19 44.98 1ssm s LEU 93 CO 0.10 0.14 1.97 -0.50 0.23 0.00 0.00 176.35 178.30 1ssm h TRP 94 N 6.20 0.00 0.00 0.29 4.06 -1.95 -2.62 115.95 121.93 1ssm h TRP 94 Ca -0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.51 1ssm h TRP 94 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1ssm h TRP 94 CO 0.64 0.19 0.00 0.66 -3.56 0.00 0.00 178.44 176.36 1ssm h SER 95 N 0.00 0.00 0.23 -3.49 4.64 -1.89 -3.38 113.55 109.66 1ssm h SER 95 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ssm h SER 95 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1ssm h SER 95 CO 0.02 0.00 -0.11 0.74 -0.87 0.00 0.00 176.83 176.61 1ssm h THR 96 N 0.00 0.80 -0.41 2.95 2.02 -1.89 -0.72 112.91 115.67 1ssm h THR 96 Ca 0.00 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1ssm h THR 96 Cb 0.76 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1ssm h THR 96 CO 0.00 0.03 0.15 -0.65 0.37 0.00 0.00 175.52 175.43 1ssm h PRO 97 N -0.38 0.31 -0.42 6.66 0.11 -1.77 0.43 132.00 136.94 1ssm h PRO 97 Ca -0.03 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.12 1ssm h PRO 97 Cb 0.29 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.28 1ssm h PRO 97 CO 0.05 0.21 0.09 1.25 -0.21 0.00 0.00 178.00 179.39 1ssm h LEU 98 N 0.32 0.03 0.12 2.35 5.85 -1.73 -2.77 115.31 119.48 1ssm h LEU 98 Ca 0.19 0.07 -0.32 0.00 0.84 0.00 0.00 57.88 58.65 1ssm h LEU 98 Cb 0.16 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1ssm h LEU 98 CO -0.18 0.05 -1.66 -0.07 -0.34 0.00 0.00 178.44 176.23 1ssm h LEU 99 N 0.23 0.41 0.00 2.25 3.38 -0.84 -3.44 115.31 117.30 1ssm h LEU 99 Ca 0.20 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ssm h LEU 99 Cb 0.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ssm h LEU 99 CO -0.26 1.55 -0.86 -1.22 0.09 0.00 0.00 178.44 177.73 1ssm n TYR 100 N -3.45 0.00 -2.91 1.13 0.53 0.12 -5.00 117.16 107.57 1ssm n TYR 100 Ca -0.20 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.25 1ssm n TYR 100 Cb 1.05 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 39.31 1ssm n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1ssm s LEU 101 N -2.85 4.15 0.57 7.72 1.43 -1.05 -4.91 118.68 123.75 1ssm s LEU 101 Ca 0.00 0.01 0.31 0.00 -1.03 0.00 0.00 54.13 53.41 1ssm s LEU 101 Cb 0.00 -3.05 1.72 0.00 0.03 0.00 0.00 46.19 44.89 1ssm s LEU 101 CO 0.00 -0.95 2.18 0.07 0.23 0.00 0.00 176.35 177.88 1ssm h LYS 102 N 8.98 0.00 -0.37 1.70 2.10 -1.89 -0.44 116.57 126.64 1ssm h LYS 102 Ca -0.24 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.27 1ssm h LYS 102 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1ssm h LYS 102 CO 0.98 0.05 -0.32 0.78 -2.00 0.00 0.00 179.45 178.94 1ssm h GLY 103 N 0.42 0.88 0.78 0.07 0.00 -1.83 0.38 103.07 103.78 1ssm h GLY 103 Ca -0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 1ssm h GLY 103 CO 0.01 0.76 0.01 -2.75 0.00 0.00 0.00 176.54 174.56 1ssm h PHE 104 N 0.68 0.03 -0.98 5.60 3.57 -1.38 -0.58 116.94 123.89 1ssm h PHE 104 Ca 0.07 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.67 1ssm h PHE 104 Cb 0.87 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.52 1ssm h PHE 104 CO 0.05 0.25 0.61 0.45 -2.23 0.00 0.00 178.31 177.44 1ssm h HIS 105 N -0.19 1.12 -0.32 0.41 3.86 -0.76 -0.12 115.15 119.15 1ssm h HIS 105 Ca 0.01 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.08 1ssm h HIS 105 Cb 0.23 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1ssm h HIS 105 CO 0.00 0.48 -0.46 0.00 0.86 0.00 0.00 177.93 178.81 1ssm h ALA 106 N 1.51 0.49 0.01 2.45 0.00 0.00 -1.75 119.26 121.97 1ssm h ALA 106 Ca 0.47 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ssm h ALA 106 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ssm h ALA 106 CO -0.24 0.65 -0.00 0.82 0.00 0.00 0.00 179.25 180.48 1ssm h ILE 107 N 0.68 1.06 -0.77 0.00 2.04 0.32 0.20 117.51 121.04 1ssm h ILE 107 Ca 0.03 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ssm h ILE 107 Cb 1.07 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1ssm h ILE 107 CO 0.11 0.05 0.47 1.56 0.00 0.00 0.00 178.15 180.34 1ssm h GLN 108 N -0.10 1.04 -0.60 2.37 1.08 -1.07 -1.42 115.11 116.41 1ssm h GLN 108 Ca -0.00 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1ssm h GLN 108 Cb 0.09 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 1ssm h GLN 108 CO 0.00 0.73 0.03 0.77 -0.95 0.00 0.00 178.83 179.40 1ssm h SER 109 N 1.06 1.00 -0.04 1.46 0.02 -0.90 -2.69 113.55 113.46 1ssm h SER 109 Ca 0.28 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1ssm h SER 109 Cb -0.05 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 1ssm h SER 109 CO -0.05 1.04 -0.04 0.22 -1.14 0.00 0.00 176.83 176.86 1ssm h TYR 110 N 0.95 -0.10 -0.95 3.45 3.20 0.41 -2.52 116.97 121.41 1ssm h TYR 110 Ca 0.18 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.29 1ssm h TYR 110 Cb 0.51 0.05 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 1ssm h TYR 110 CO 0.03 -0.06 0.49 0.00 -1.64 0.00 0.00 178.16 176.98 1ssm h ARG 111 N -0.05 0.44 -0.74 1.82 3.08 -1.01 0.71 114.38 118.63 1ssm h ARG 111 Ca 0.03 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1ssm h ARG 111 Cb 0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1ssm h ARG 111 CO -0.07 0.29 0.34 0.82 -1.07 0.00 0.00 179.97 180.28 1ssm h ILE 112 N 0.46 1.24 0.00 2.04 2.04 -1.33 -2.09 117.51 119.86 1ssm h ILE 112 Ca 0.61 -0.69 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 1ssm h ILE 112 Cb 1.19 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1ssm h ILE 112 CO -0.52 0.29 -0.56 0.71 0.00 0.00 0.00 178.15 178.07 1ssm h THR 113 N 1.05 1.27 -0.26 -0.27 1.35 0.56 -2.37 112.91 114.24 1ssm h THR 113 Ca 0.25 -2.00 -0.15 0.00 -0.55 0.00 0.00 66.41 63.96 1ssm h THR 113 Cb 0.13 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1ssm h THR 113 CO -0.03 0.55 -0.45 -0.74 -0.25 0.00 0.00 175.52 174.60 1ssm h HIS 114 N 0.00 0.82 -0.41 4.73 6.17 -0.56 0.77 115.15 126.67 1ssm h HIS 114 Ca -0.01 -0.26 -0.08 0.00 0.71 0.00 0.00 60.37 60.73 1ssm h HIS 114 Cb 1.08 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.82 1ssm h HIS 114 CO 0.00 1.00 -0.07 -0.92 0.71 0.00 0.00 177.93 178.65 1ssm h TYR 115 N 0.54 0.86 -0.38 5.26 3.20 -1.22 -1.47 116.97 123.76 1ssm h TYR 115 Ca 0.03 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 1ssm h TYR 115 Cb 0.99 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1ssm h TYR 115 CO 0.05 0.88 0.02 -0.07 -1.64 0.00 0.00 178.16 177.40 1ssm h LEU 116 N 0.59 0.64 -0.17 2.82 3.38 -1.36 -2.84 115.31 118.36 1ssm h LEU 116 Ca 0.11 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1ssm h LEU 116 Cb 0.58 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ssm h LEU 116 CO 0.03 0.77 0.06 -0.25 0.09 0.00 0.00 178.44 179.15 1ssm h TRP 117 N 0.48 0.11 0.00 1.13 2.91 -0.63 -0.69 115.95 119.26 1ssm h TRP 117 Ca 0.11 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1ssm h TRP 117 Cb 0.43 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1ssm h TRP 117 CO 0.03 0.06 0.00 0.09 -1.03 0.00 0.00 178.44 177.59 1ssm n ASN 118 N -5.05 0.00 -0.43 2.65 3.02 -0.57 -0.75 115.26 114.13 1ssm n ASN 118 Ca -0.03 -0.17 0.04 0.00 -0.03 0.00 0.00 54.58 54.39 1ssm n ASN 118 Cb 0.07 -0.12 0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1ssm n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ssm n GLN 119 N -1.12 2.35 -1.57 3.52 1.13 -0.74 -4.96 117.38 115.98 1ssm n GLN 119 Ca 0.08 -1.71 -0.18 0.00 -1.94 0.00 0.00 57.00 53.25 1ssm n GLN 119 Cb 0.06 -1.19 -0.07 0.00 0.11 0.00 0.00 30.24 29.16 1ssm n GLN 119 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ssm n ASN 120 N 0.28 -5.11 -3.93 1.08 5.15 0.07 -4.90 115.26 107.90 1ssm n ASN 120 Ca 0.08 0.40 -0.43 0.00 -0.60 0.00 0.00 54.58 54.03 1ssm n ASN 120 Cb 0.34 -4.16 0.01 0.00 -0.53 0.00 0.00 39.78 35.45 1ssm n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ssm n ARG 121 N -2.51 4.32 0.10 1.20 1.74 -0.34 -4.77 116.66 116.40 1ssm n ARG 121 Ca -0.18 -4.27 -0.05 0.00 -0.77 0.00 0.00 57.85 52.58 1ssm n ARG 121 Cb 0.58 -2.62 0.03 0.00 -1.02 0.00 0.00 32.46 29.43 1ssm n ARG 121 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ssm h LYS 122 N 5.42 0.07 -0.23 5.56 1.57 -1.86 -1.93 116.57 125.18 1ssm h LYS 122 Ca 0.28 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1ssm h LYS 122 Cb 0.59 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1ssm h LYS 122 CO 1.41 0.84 -0.21 0.66 -0.57 0.00 0.00 179.45 181.58 1ssm h SER 123 N 0.04 0.40 0.18 0.86 4.64 -1.96 0.30 113.55 118.01 1ssm h SER 123 Ca -0.02 -0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 60.98 1ssm h SER 123 Cb 1.42 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1ssm h SER 123 CO 0.11 0.62 -0.79 0.25 -0.87 0.00 0.00 176.83 176.16 1ssm h LEU 124 N 0.37 0.60 -0.79 5.97 5.85 -1.95 -0.40 115.31 124.96 1ssm h LEU 124 Ca 0.06 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 1ssm h LEU 124 Cb 0.57 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1ssm h LEU 124 CO 0.04 1.17 0.04 0.00 -0.34 0.00 0.00 178.44 179.36 1ssm h ALA 125 N 0.81 0.99 -0.22 1.25 0.00 -0.86 -2.43 119.26 118.80 1ssm h ALA 125 Ca -0.05 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 1ssm h ALA 125 Cb 1.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ssm h ALA 125 CO 0.14 0.63 -0.60 -0.07 0.00 0.00 0.00 179.25 179.35 1ssm h LEU 126 N 0.90 0.84 -0.57 0.00 3.38 -0.10 -1.09 115.31 118.67 1ssm h LEU 126 Ca 0.17 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ssm h LEU 126 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1ssm h LEU 126 CO 0.02 1.25 0.37 0.22 0.09 0.00 0.00 178.44 180.39 1ssm h TYR 127 N 0.56 0.72 -0.05 1.13 3.20 -0.96 -2.70 116.97 118.86 1ssm h TYR 127 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1ssm h TYR 127 Cb 1.19 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1ssm h TYR 127 CO 0.07 0.46 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.96 1ssm h LEU 128 N 0.77 0.11 -0.90 2.82 3.38 -1.33 -1.82 115.31 118.34 1ssm h LEU 128 Ca 0.21 -0.40 0.15 0.00 0.09 0.00 0.00 57.88 57.92 1ssm h LEU 128 Cb -0.08 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 40.49 1ssm h LEU 128 CO -0.04 0.49 -0.36 -0.61 0.09 0.00 0.00 178.44 178.01 1ssm h GLN 129 N -0.27 -0.04 0.00 1.13 4.15 -1.11 0.60 115.11 119.58 1ssm h GLN 129 Ca 0.01 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1ssm h GLN 129 Cb 0.45 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1ssm h GLN 129 CO 0.01 -0.02 -0.47 -0.91 -1.93 0.00 0.00 178.83 175.51 1ssm h ASN 130 N -0.04 0.00 1.38 -0.69 2.35 -1.46 -1.27 115.58 115.86 1ssm h ASN 130 Ca 0.33 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.02 1ssm h ASN 130 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1ssm h ASN 130 CO -0.92 0.47 -0.31 -0.61 -1.65 0.00 0.00 177.43 174.41 1ssm h GLN 131 N 0.00 0.00 -0.06 0.81 5.75 -0.05 -1.33 115.11 120.23 1ssm h GLN 131 Ca -0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 1ssm h GLN 131 Cb 1.10 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.66 1ssm h GLN 131 CO 0.06 0.31 -0.91 0.82 -2.65 0.00 0.00 178.83 176.46 1ssm h ILE 132 N 0.00 1.31 -0.67 2.39 2.04 0.50 -1.15 117.51 121.92 1ssm h ILE 132 Ca -0.00 -2.18 -0.06 0.00 1.00 0.00 0.00 64.86 63.62 1ssm h ILE 132 Cb 1.09 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 1ssm h ILE 132 CO 0.04 0.67 0.19 -1.28 0.00 0.00 0.00 178.15 177.78 1ssm h SER 133 N 0.41 0.98 -0.28 1.72 0.87 -0.76 -0.18 113.55 116.30 1ssm h SER 133 Ca -0.09 -0.18 -0.19 0.00 -1.23 0.00 0.00 61.79 60.11 1ssm h SER 133 Cb 1.55 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1ssm h SER 133 CO 0.18 0.92 -0.55 0.58 -0.53 0.00 0.00 176.83 177.43 1ssm h VAL 134 N 1.00 1.28 -0.03 2.23 2.07 -1.18 -0.28 116.25 121.34 1ssm h VAL 134 Ca 0.22 -1.73 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 1ssm h VAL 134 Cb 0.31 1.66 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1ssm h VAL 134 CO -0.00 0.56 -0.33 0.00 0.02 0.00 0.00 177.57 177.82 1ssm h ALA 135 N 0.67 0.07 -0.01 1.67 0.00 -1.08 -3.39 119.26 117.20 1ssm h ALA 135 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ssm h ALA 135 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ssm h ALA 135 CO 0.12 0.16 -0.17 1.19 0.00 0.00 0.00 179.25 180.56 1ssm n PHE 136 N -4.44 0.00 -3.54 0.00 0.99 -0.09 -5.01 117.46 105.37 1ssm n PHE 136 Ca -0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.13 1ssm n PHE 136 Cb 0.53 0.00 0.08 0.00 -1.00 0.00 0.00 39.48 39.08 1ssm n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1ssm n ASP 137 N -0.28 -5.75 -3.85 4.37 10.43 -0.12 -4.59 116.55 116.77 1ssm n ASP 137 Ca 0.03 -0.53 -0.21 0.00 2.57 0.00 0.00 54.79 56.65 1ssm n ASP 137 Cb 0.17 -4.89 -0.17 0.00 1.84 0.00 0.00 41.12 38.07 1ssm n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ssm s VAL 138 N -3.31 0.50 -0.35 2.53 1.01 -1.25 -0.22 120.40 119.30 1ssm s VAL 138 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1ssm s VAL 138 Cb -0.22 -0.58 0.09 0.00 0.00 0.00 0.00 36.38 35.67 1ssm s VAL 138 CO 0.70 0.25 0.08 -0.62 0.00 0.00 0.00 175.10 175.51 1ssm s ASP 139 N 1.37 4.94 -0.25 3.32 3.68 -0.26 -2.57 116.67 126.91 1ssm s ASP 139 Ca -0.04 -1.88 0.01 0.00 2.13 0.00 0.00 52.55 52.76 1ssm s ASP 139 Cb -0.13 -1.71 0.04 0.00 -1.45 0.00 0.00 42.92 39.67 1ssm s ASP 139 CO -0.03 -0.40 -0.09 -0.63 0.13 0.00 0.00 175.17 174.15 1ssm s ILE 140 N 1.07 2.48 0.23 4.11 1.01 -1.26 -0.59 121.20 128.25 1ssm s ILE 140 Ca 0.05 -1.33 -0.32 0.00 0.00 0.00 0.00 60.65 59.06 1ssm s ILE 140 Cb -0.21 -2.34 -0.14 0.00 0.01 0.00 0.00 42.46 39.79 1ssm s ILE 140 CO -0.05 0.10 1.39 1.57 0.00 0.00 0.00 174.94 177.95 1ssm n HIS 141 N 4.56 2.06 0.16 3.97 -0.00 -0.90 -4.84 115.22 120.23 1ssm n HIS 141 Ca -0.16 0.46 0.16 0.00 -0.00 0.00 0.00 57.72 58.18 1ssm n HIS 141 Cb 0.45 -2.44 0.76 0.00 -0.00 0.00 0.00 29.99 28.75 1ssm n HIS 141 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ssm h PRO 142 N 4.20 0.00 0.00 1.57 0.11 -1.88 -1.77 132.00 134.23 1ssm h PRO 142 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ssm h PRO 142 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ssm h PRO 142 CO 0.76 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 1ssm n ALA 143 N -2.46 2.03 -1.69 -0.75 0.00 -1.26 -4.14 120.51 112.24 1ssm n ALA 143 Ca 0.03 0.03 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1ssm n ALA 143 Cb 0.35 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1ssm n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssm n ALA 144 N -1.79 0.95 -2.85 0.00 0.00 -0.67 -4.84 120.51 111.30 1ssm n ALA 144 Ca 0.04 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 1ssm n ALA 144 Cb 0.35 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.44 1ssm n ALA 144 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ssm s LYS 145 N -2.83 3.02 -0.07 0.00 1.02 -0.59 -5.01 119.74 115.28 1ssm s LYS 145 Ca 0.74 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 55.84 1ssm s LYS 145 Cb -0.43 -3.66 -0.01 0.00 -0.52 0.00 0.00 37.83 33.22 1ssm s LYS 145 CO 0.48 -0.59 -0.23 0.42 -0.92 0.00 0.00 175.35 174.51 1ssm s ILE 146 N 1.57 2.18 0.00 2.17 1.01 -1.26 -0.65 121.20 126.22 1ssm s ILE 146 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1ssm s ILE 146 Cb -0.18 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1ssm s ILE 146 CO 0.06 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1ssm n GLY 147 N 3.02 1.14 3.42 6.18 0.00 0.55 -4.99 105.19 114.51 1ssm n GLY 147 Ca -0.18 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 1ssm n GLY 147 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ssm s HIS 148 N 1.08 1.76 -0.07 1.61 -3.43 -1.26 -4.71 115.29 110.27 1ssm s HIS 148 Ca 0.00 -1.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.10 1ssm s HIS 148 Cb 0.00 -1.10 0.00 0.00 -1.43 0.00 0.00 32.58 30.05 1ssm s HIS 148 CO 0.00 -0.23 0.00 0.41 -2.00 0.00 0.00 174.74 172.92 1ssm n GLY 149 N -0.68 0.44 0.35 -1.38 0.00 -1.26 -1.43 105.19 101.23 1ssm n GLY 149 Ca -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 1ssm n GLY 149 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ssm n ILE 150 N -2.98 0.00 -2.94 -0.61 2.08 -1.26 -3.66 119.36 109.99 1ssm n ILE 150 Ca -0.01 -0.10 0.03 0.00 0.56 0.00 0.00 62.75 63.24 1ssm n ILE 150 Cb 0.02 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1ssm n ILE 150 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1ssm s PHE 152 N -1.08 -0.42 -0.12 1.39 2.99 -1.26 -4.75 117.98 114.73 1ssm s PHE 152 Ca 0.07 0.14 -0.29 0.00 0.00 0.00 0.00 56.93 56.84 1ssm s PHE 152 Cb -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 43.02 43.08 1ssm s PHE 152 CO 0.05 -0.26 1.13 0.34 -0.00 0.00 0.00 175.22 176.47 1ssm s ASP 153 N 2.39 7.10 0.00 1.36 2.15 -0.51 -3.96 116.67 125.19 1ssm s ASP 153 Ca 0.20 1.63 0.00 0.00 0.43 0.00 0.00 52.55 54.81 1ssm s ASP 153 Cb 0.01 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1ssm s ASP 153 CO -0.18 -0.60 0.00 1.41 -0.17 0.00 0.00 175.17 175.63 1ssm n HIS 154 N 5.62 0.00 0.00 -5.34 8.25 -1.26 -3.27 115.22 119.22 1ssm n HIS 154 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1ssm n HIS 154 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1ssm n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ssm n ALA 155 N 0.00 0.00 -1.63 -1.41 0.00 -1.25 -4.66 120.51 111.55 1ssm n ALA 155 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.94 1ssm n ALA 155 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ssm n ALA 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ssm n THR 156 N -1.24 0.04 -0.89 0.00 -1.04 -1.26 -1.91 114.28 107.98 1ssm n THR 156 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ssm n THR 156 Cb 0.00 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1ssm n THR 156 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssm n GLY 157 N 3.02 0.70 3.69 3.41 0.00 0.69 -0.67 105.19 116.03 1ssm n GLY 157 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ssm n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ssm s ILE 158 N -2.65 4.40 -0.10 -0.61 1.01 -0.80 -4.11 121.20 118.34 1ssm s ILE 158 Ca 0.00 1.71 0.04 0.00 0.00 0.00 0.00 60.65 62.40 1ssm s ILE 158 Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1ssm s ILE 158 CO 0.00 0.03 -0.23 -0.69 0.00 0.00 0.00 174.94 174.05 1ssm s VAL 159 N 1.94 1.96 -0.17 2.92 1.01 -0.87 -1.10 120.40 126.10 1ssm s VAL 159 Ca 0.54 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1ssm s VAL 159 Cb -0.23 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1ssm s VAL 159 CO 0.22 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 175.03 1ssm s VAL 160 N 0.42 1.65 0.83 2.92 1.01 0.25 -0.74 120.40 126.73 1ssm s VAL 160 Ca -0.17 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1ssm s VAL 160 Cb -0.18 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.71 1ssm s VAL 160 CO 0.07 0.40 1.10 -0.83 0.00 0.00 0.00 175.10 175.84 1ssm s GLY 161 N 1.44 1.67 0.45 4.51 0.00 0.08 -2.11 107.32 113.35 1ssm s GLY 161 Ca 0.03 0.26 0.18 0.00 0.00 0.00 0.00 44.72 45.20 1ssm s GLY 161 CO -0.10 0.65 1.92 -2.09 0.00 0.00 0.00 173.10 173.48 1ssm h GLU 162 N -1.37 0.32 -0.31 2.90 4.81 -1.90 -2.54 114.58 116.51 1ssm h GLU 162 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ssm h GLU 162 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ssm h GLU 162 CO 0.50 0.21 0.00 0.25 -0.73 0.00 0.00 179.01 179.24 1ssm n THR 163 N -4.46 0.56 -1.62 0.32 -2.24 -1.26 -3.01 114.28 102.57 1ssm n THR 163 Ca 0.14 -0.78 -0.37 0.00 -2.27 0.00 0.00 64.05 60.77 1ssm n THR 163 Cb 0.58 0.87 0.07 0.00 -2.10 0.00 0.00 70.33 69.75 1ssm n THR 163 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ssm n SER 164 N 1.00 1.24 -4.03 3.42 7.64 -0.95 -4.64 113.62 117.29 1ssm n SER 164 Ca 0.14 0.79 -0.23 0.00 1.01 0.00 0.00 58.87 60.58 1ssm n SER 164 Cb 0.48 -1.46 -0.16 0.00 -1.01 0.00 0.00 64.21 62.06 1ssm n SER 164 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ssm s VAL 165 N -1.51 0.99 -0.18 0.44 1.01 -0.87 -1.54 120.40 118.73 1ssm s VAL 165 Ca 0.79 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1ssm s VAL 165 Cb -0.39 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.16 1ssm s VAL 165 CO 0.44 0.31 0.03 -0.63 0.00 0.00 0.00 175.10 175.25 1ssm s ILE 166 N 0.34 0.50 0.71 2.22 1.01 0.17 0.15 121.20 126.30 1ssm s ILE 166 Ca -0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 1ssm s ILE 166 Cb -0.12 -0.99 0.16 0.00 0.01 0.00 0.00 42.46 41.53 1ssm s ILE 166 CO 0.02 -0.18 0.97 -0.62 0.00 0.00 0.00 174.94 175.13 1ssm n GLU 167 N 5.06 -0.83 -0.80 2.79 1.02 -0.03 -0.33 120.64 127.52 1ssm n GLU 167 Ca -0.09 -1.63 -0.31 0.00 -0.02 0.00 0.00 57.16 55.11 1ssm n GLU 167 Cb 0.47 -0.96 0.16 0.00 -0.02 0.00 0.00 31.44 31.10 1ssm n GLU 167 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ssm s ASN 168 N -4.60 2.94 -1.10 1.62 0.01 -1.26 -3.71 114.94 108.84 1ssm s ASN 168 Ca 0.56 2.00 -0.03 0.00 -0.71 0.00 0.00 52.86 54.68 1ssm s ASN 168 Cb -0.02 -2.50 0.02 0.00 0.41 0.00 0.00 41.25 39.16 1ssm s ASN 168 CO 0.39 -3.06 0.18 0.47 -1.51 0.00 0.00 177.10 173.57 1ssm n ASP 169 N -4.19 -3.82 -4.87 -1.22 8.00 -0.51 -2.18 116.55 107.74 1ssm n ASP 169 Ca 0.10 0.01 -0.31 0.00 0.71 0.00 0.00 54.79 55.30 1ssm n ASP 169 Cb 0.53 -3.22 -0.04 0.00 -0.02 0.00 0.00 41.12 38.36 1ssm n ASP 169 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ssm s VAL 170 N -2.71 4.82 -0.11 2.53 1.01 -1.24 -3.38 120.40 121.32 1ssm s VAL 170 Ca 0.14 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1ssm s VAL 170 Cb -0.07 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1ssm s VAL 170 CO 0.17 -0.30 -0.13 -0.44 0.00 0.00 0.00 175.10 174.40 1ssm s SER 171 N -2.73 2.30 -0.10 3.32 0.01 -0.32 -4.54 113.70 111.64 1ssm s SER 171 Ca 0.50 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.40 1ssm s SER 171 Cb -0.11 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.13 1ssm s SER 171 CO 0.25 -0.02 -0.18 -0.63 0.41 0.00 0.00 173.24 173.07 1ssm s ILE 172 N 1.13 1.64 0.73 1.44 1.01 -1.26 0.14 121.20 126.02 1ssm s ILE 172 Ca -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1ssm s ILE 172 Cb -0.14 -1.46 0.11 0.00 0.01 0.00 0.00 42.46 40.98 1ssm s ILE 172 CO -0.03 0.47 1.01 -0.76 0.00 0.00 0.00 174.94 175.63 1ssm s LEU 173 N 0.69 2.96 0.72 2.97 1.43 -0.90 -1.42 118.68 125.13 1ssm s LEU 173 Ca -0.12 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 52.72 1ssm s LEU 173 Cb -0.16 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.76 1ssm s LEU 173 CO 0.03 -1.84 1.21 0.00 0.23 0.00 0.00 176.35 175.98 1ssm n GLN 174 N -2.90 0.67 -0.91 1.70 0.00 -1.20 -3.55 117.38 111.18 1ssm n GLN 174 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 57.00 57.42 1ssm n GLN 174 Cb 0.60 -2.45 0.00 0.00 0.00 0.00 0.00 30.24 28.39 1ssm n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ssm n GLY 175 N 0.81 0.35 3.85 2.61 0.00 0.15 0.25 105.19 113.21 1ssm n GLY 175 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1ssm n GLY 175 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ssm s VAL 176 N -1.89 5.06 -0.14 1.61 -7.23 -1.23 -3.88 120.40 112.71 1ssm s VAL 176 Ca 0.00 0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 60.82 1ssm s VAL 176 Cb 0.00 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 1ssm s VAL 176 CO 0.00 0.46 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.28 1ssm s THR 177 N -1.22 3.51 -0.54 5.32 2.01 -0.62 -2.04 115.64 122.07 1ssm s THR 177 Ca 0.28 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 1ssm s THR 177 Cb -0.15 -2.51 0.14 0.00 0.01 0.00 0.00 72.50 69.99 1ssm s THR 177 CO 0.15 0.51 0.37 -0.76 -0.69 0.00 0.00 174.62 174.21 1ssm s LEU 178 N 0.26 5.45 0.00 4.42 1.43 0.08 -1.29 118.68 129.02 1ssm s LEU 178 Ca -0.06 -2.40 0.00 0.00 -1.03 0.00 0.00 54.13 50.64 1ssm s LEU 178 Cb -0.15 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1ssm s LEU 178 CO 0.04 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1ssm n GLY 179 N 4.15 6.10 3.74 -3.19 0.00 -0.27 -0.74 105.19 114.97 1ssm n GLY 179 Ca 0.02 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 1ssm n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ssm s GLY 180 N -0.20 2.14 0.09 -0.02 0.00 -1.26 0.22 107.32 108.29 1ssm s GLY 180 Ca 0.00 -1.96 0.23 0.00 0.00 0.00 0.00 44.72 42.98 1ssm s GLY 180 CO 0.00 -1.83 0.99 -1.30 0.00 0.00 0.00 173.10 170.96 1ssm n THR 181 N -1.20 0.29 0.00 0.90 -2.24 -1.26 -4.52 114.28 106.25 1ssm n THR 181 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1ssm n THR 181 Cb 0.63 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1ssm n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ssm n GLY 182 N 1.30 1.20 3.63 3.38 0.00 -1.26 -5.06 105.19 108.38 1ssm n GLY 182 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 1ssm n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ssm n LYS 183 N 0.00 2.05 0.25 1.61 4.01 -1.26 -4.79 118.16 120.03 1ssm n LYS 183 Ca 0.00 0.70 0.10 0.00 -0.51 0.00 0.00 58.31 58.60 1ssm n LYS 183 Cb 0.00 -2.76 0.67 0.00 -0.51 0.00 0.00 35.03 32.43 1ssm n LYS 183 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1ssm h GLU 184 N 10.84 0.00 0.00 1.97 4.39 -2.02 -3.47 114.58 126.30 1ssm h GLU 184 Ca -0.44 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.89 1ssm h GLU 184 Cb 1.27 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.82 1ssm h GLU 184 CO 0.96 0.12 -0.35 -1.13 -1.16 0.00 0.00 179.01 177.45 1ssm n SER 185 N -4.00 -0.62 0.00 1.42 3.41 -1.26 -5.10 113.62 107.47 1ssm n SER 185 Ca -0.02 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1ssm n SER 185 Cb 0.20 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 1ssm n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ssm n GLY 186 N -0.50 -1.43 3.55 5.00 0.00 -1.26 -4.59 105.19 105.96 1ssm n GLY 186 Ca 0.06 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1ssm n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ssm s ASP 187 N -4.00 6.18 -0.03 1.61 -1.08 -1.26 -4.81 116.67 113.28 1ssm s ASP 187 Ca 0.00 -0.60 0.04 0.00 -0.52 0.00 0.00 52.55 51.47 1ssm s ASP 187 Cb 0.00 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 38.97 1ssm s ASP 187 CO 0.00 -1.81 0.92 -2.11 0.52 0.00 0.00 175.17 172.69 1ssm n ARG 188 N 9.29 1.52 -4.33 4.34 1.85 -1.26 -4.48 116.66 123.57 1ssm n ARG 188 Ca 0.09 -1.45 -0.20 0.00 -1.00 0.00 0.00 57.85 55.29 1ssm n ARG 188 Cb 0.49 -0.93 -0.11 0.00 -1.05 0.00 0.00 32.46 30.87 1ssm n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ssm s HIS 189 N -1.07 1.73 0.87 2.89 3.76 -1.26 -3.13 115.29 119.09 1ssm s HIS 189 Ca 0.07 -0.53 -0.15 0.00 -0.15 0.00 0.00 55.06 54.31 1ssm s HIS 189 Cb 0.06 -0.83 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 1ssm s HIS 189 CO 0.01 0.34 0.08 -2.30 -0.85 0.00 0.00 174.74 172.02 1ssm n PRO 190 N -0.04 -0.03 -3.93 8.40 -0.02 0.03 -3.85 135.00 135.56 1ssm n PRO 190 Ca -0.11 0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.09 1ssm n PRO 190 Cb 0.59 -1.56 -0.15 0.00 -0.02 0.00 0.00 33.50 32.36 1ssm n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ssm s LYS 191 N -2.78 1.46 -0.42 -0.52 3.01 -0.38 -2.05 119.74 118.06 1ssm s LYS 191 Ca 0.55 -1.94 -0.18 0.00 -1.01 0.00 0.00 55.97 53.39 1ssm s LYS 191 Cb -0.26 -2.95 0.02 0.00 -1.01 0.00 0.00 37.83 33.63 1ssm s LYS 191 CO 0.69 -1.01 0.47 0.08 0.51 0.00 0.00 175.35 176.08 1ssm s VAL 192 N 0.67 5.05 0.83 3.17 1.01 0.12 -0.95 120.40 130.31 1ssm s VAL 192 Ca 0.13 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1ssm s VAL 192 Cb -0.21 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.21 1ssm s VAL 192 CO -0.08 -0.42 1.15 -0.13 0.00 0.00 0.00 175.10 175.62 1ssm s ARG 193 N 2.24 1.79 0.60 2.72 1.81 -0.29 -0.85 118.95 126.96 1ssm s ARG 193 Ca 0.14 0.25 -0.18 0.00 -1.72 0.00 0.00 55.73 54.22 1ssm s ARG 193 Cb -0.17 -1.92 -0.05 0.00 -0.45 0.00 0.00 34.95 32.37 1ssm s ARG 193 CO 0.14 -1.74 0.93 -0.85 -0.68 0.00 0.00 175.30 173.09 1ssm n GLU 194 N -3.45 0.86 -0.30 3.54 0.28 -1.26 -3.13 120.64 117.19 1ssm n GLU 194 Ca 0.07 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1ssm n GLU 194 Cb 0.60 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.34 1ssm n GLU 194 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ssm n GLY 195 N 1.33 0.81 0.00 -1.84 0.00 -0.93 0.50 105.19 105.06 1ssm n GLY 195 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ssm n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ssm n VAL 196 N -2.00 0.00 -3.46 1.61 0.31 -1.18 -4.28 118.33 109.32 1ssm n VAL 196 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1ssm n VAL 196 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1ssm n VAL 196 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ssm s ILE 198 N -0.42 -0.64 0.75 2.52 1.01 0.12 -1.18 121.20 123.37 1ssm s ILE 198 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 1ssm s ILE 198 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.52 1ssm s ILE 198 CO 0.00 0.00 1.20 -0.83 0.00 0.00 0.00 174.94 175.31 1ssm s GLY 199 N 2.58 2.28 0.25 6.18 0.00 0.30 -2.12 107.32 116.78 1ssm s GLY 199 Ca -0.03 0.85 -0.30 0.00 0.00 0.00 0.00 44.72 45.24 1ssm s GLY 199 CO -0.18 1.26 1.04 0.00 0.00 0.00 0.00 173.10 175.21 1ssm n ALA 200 N -2.89 -0.53 -0.57 3.20 0.00 -1.26 -2.66 120.51 115.81 1ssm n ALA 200 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1ssm n ALA 200 Cb 0.50 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1ssm n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ssm n GLY 201 N 1.54 0.71 3.77 0.00 0.00 0.14 -0.79 105.19 110.55 1ssm n GLY 201 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1ssm n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssm s ALA 202 N -2.33 3.02 -0.23 4.61 0.00 -1.09 -4.07 121.76 121.67 1ssm s ALA 202 Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1ssm s ALA 202 Cb 0.00 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.72 1ssm s ALA 202 CO 0.00 -0.84 -0.13 0.15 0.00 0.00 0.00 175.76 174.94 1ssm s LYS 203 N -2.60 2.41 -0.32 0.00 -0.14 0.14 -1.58 119.74 117.66 1ssm s LYS 203 Ca 0.63 -1.14 -0.08 0.00 -1.36 0.00 0.00 55.97 54.03 1ssm s LYS 203 Cb -0.33 -2.74 0.02 0.00 -1.68 0.00 0.00 37.83 33.09 1ssm s LYS 203 CO 0.41 -0.45 0.11 0.42 -0.76 0.00 0.00 175.35 175.08 1ssm s ILE 204 N 1.19 4.10 -0.03 2.17 1.01 -0.41 -0.54 121.20 128.69 1ssm s ILE 204 Ca -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1ssm s ILE 204 Cb -0.18 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1ssm s ILE 204 CO -0.08 -0.02 -0.17 -0.76 0.00 0.00 0.00 174.94 173.92 1ssm s LEU 205 N 1.50 2.61 0.00 2.97 1.43 -0.55 -1.12 118.68 125.53 1ssm s LEU 205 Ca 0.02 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1ssm s LEU 205 Cb -0.18 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1ssm s LEU 205 CO 0.04 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.56 1ssm n GLY 206 N 2.23 -0.57 3.58 -3.19 0.00 0.13 -4.67 105.19 102.69 1ssm n GLY 206 Ca -0.17 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1ssm n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ssm s ASN 207 N -2.55 6.07 0.12 1.61 2.47 -1.18 -0.79 114.94 120.69 1ssm s ASN 207 Ca 0.00 -2.10 0.05 0.00 0.42 0.00 0.00 52.86 51.24 1ssm s ASN 207 Cb 0.00 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 1ssm s ASN 207 CO 0.00 -1.98 -0.13 0.27 -3.72 0.00 0.00 177.10 171.54 1ssm s ILE 208 N 7.10 1.26 -0.17 -5.21 -4.36 -1.26 -4.94 121.20 113.62 1ssm s ILE 208 Ca 0.60 -1.71 -0.24 0.00 -0.26 0.00 0.00 60.65 59.04 1ssm s ILE 208 Cb 0.02 -1.51 -0.02 0.00 1.25 0.00 0.00 42.46 42.20 1ssm s ILE 208 CO 0.10 -0.45 0.75 -1.61 0.24 0.00 0.00 174.94 173.97 1ssm s GLU 209 N -2.72 4.27 -0.38 0.37 0.41 -1.26 -1.25 118.70 118.13 1ssm s GLU 209 Ca 0.09 0.87 -0.08 0.00 -0.41 0.00 0.00 54.97 55.43 1ssm s GLU 209 Cb -0.04 -3.57 0.06 0.00 -1.78 0.00 0.00 34.13 28.79 1ssm s GLU 209 CO 0.02 -0.28 0.19 0.08 -0.49 0.00 0.00 175.26 174.79 1ssm s VAL 210 N 2.00 4.11 0.50 2.63 1.01 -0.12 -0.38 120.40 130.14 1ssm s VAL 210 Ca 0.35 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1ssm s VAL 210 Cb -0.16 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1ssm s VAL 210 CO 0.12 -0.35 1.34 -0.83 0.00 0.00 0.00 175.10 175.38 1ssm s GLY 211 N 1.75 2.88 0.42 4.51 0.00 0.35 -1.14 107.32 116.09 1ssm s GLY 211 Ca 0.01 1.29 -0.22 0.00 0.00 0.00 0.00 44.72 45.80 1ssm s GLY 211 CO 0.03 1.82 0.39 0.58 0.00 0.00 0.00 173.10 175.93 1ssm n LYS 212 N -0.67 0.37 -1.62 2.90 2.85 -1.26 -1.51 118.16 119.22 1ssm n LYS 212 Ca 0.08 0.14 -0.11 0.00 -1.05 0.00 0.00 58.31 57.37 1ssm n LYS 212 Cb 0.45 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.45 1ssm n LYS 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ssm n TYR 213 N -0.95 -0.75 -1.59 5.58 4.02 0.18 -0.56 117.16 123.09 1ssm n TYR 213 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.70 1ssm n TYR 213 Cb 0.40 -2.37 0.07 0.00 -0.02 0.00 0.00 39.34 37.43 1ssm n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ssm s ALA 214 N -2.09 2.44 -0.07 -0.72 0.00 -0.57 -3.83 121.76 116.92 1ssm s ALA 214 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1ssm s ALA 214 Cb 0.00 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1ssm s ALA 214 CO 0.00 -1.52 -0.16 0.15 0.00 0.00 0.00 175.76 174.22 1ssm s LYS 215 N -5.14 2.08 -0.18 0.00 3.01 0.69 -4.36 119.74 115.85 1ssm s LYS 215 Ca 0.60 -0.58 -0.02 0.00 -1.01 0.00 0.00 55.97 54.96 1ssm s LYS 215 Cb -0.14 -1.68 -0.01 0.00 -1.01 0.00 0.00 37.83 34.99 1ssm s LYS 215 CO 0.54 0.11 -0.08 0.42 0.51 0.00 0.00 175.35 176.85 1ssm s ILE 216 N 0.45 3.23 0.35 2.17 -1.09 -1.26 -1.74 121.20 123.31 1ssm s ILE 216 Ca -0.14 -0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 57.46 1ssm s ILE 216 Cb -0.16 -2.42 -0.09 0.00 -1.58 0.00 0.00 42.46 38.21 1ssm s ILE 216 CO 0.05 0.47 1.03 -0.83 -1.23 0.00 0.00 174.94 174.43 1ssm s GLY 217 N 0.94 2.82 0.29 6.18 0.00 -0.45 0.11 107.32 117.21 1ssm s GLY 217 Ca -0.01 0.69 -0.26 0.00 0.00 0.00 0.00 44.72 45.13 1ssm s GLY 217 CO 0.00 1.15 0.71 0.00 0.00 0.00 0.00 173.10 174.96 1ssm n ALA 218 N 0.36 -1.49 -1.03 3.20 0.00 -1.26 -1.56 120.51 118.73 1ssm n ALA 218 Ca 0.03 0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 1ssm n ALA 218 Cb 0.49 -1.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1ssm n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ssm n ASN 219 N 1.52 -5.64 -4.77 0.00 4.13 0.03 -4.82 115.26 105.71 1ssm n ASN 219 Ca 0.13 0.06 -0.34 0.00 1.68 0.00 0.00 54.58 56.12 1ssm n ASN 219 Cb 0.32 -3.52 0.03 0.00 -1.54 0.00 0.00 39.78 35.07 1ssm n ASN 219 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1ssm s SER 220 N -2.00 5.37 -0.36 6.41 0.01 -0.60 -4.75 113.70 117.77 1ssm s SER 220 Ca 0.00 2.04 0.02 0.00 1.31 0.00 0.00 55.95 59.32 1ssm s SER 220 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.77 1ssm s SER 220 CO 0.00 -1.46 0.09 -0.69 0.41 0.00 0.00 173.24 171.60 1ssm s VAL 221 N -2.16 2.54 -0.37 3.43 1.01 -0.79 0.28 120.40 124.34 1ssm s VAL 221 Ca 0.69 -2.29 -0.21 0.00 0.00 0.00 0.00 61.98 60.16 1ssm s VAL 221 Cb -0.21 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1ssm s VAL 221 CO 0.36 -0.63 0.69 -0.69 0.00 0.00 0.00 175.10 174.83 1ssm s VAL 222 N 0.95 4.82 -0.19 2.92 1.01 0.30 -1.09 120.40 129.13 1ssm s VAL 222 Ca 0.10 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1ssm s VAL 222 Cb -0.20 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1ssm s VAL 222 CO -0.07 -0.40 0.27 0.18 0.00 0.00 0.00 175.10 175.08 1ssm n LEU 223 N 6.21 0.50 -4.19 3.92 4.77 -1.26 -1.48 117.00 125.46 1ssm n LEU 223 Ca 0.00 -0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 55.12 1ssm n LEU 223 Cb 0.48 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 1ssm n LEU 223 CO 0.51 0.11 -0.46 0.20 -1.33 0.00 0.00 177.39 176.42 1ssm s ASN 224 N -0.87 1.81 0.34 -1.43 0.01 -1.26 -4.99 114.94 108.55 1ssm s ASN 224 Ca 0.02 -0.64 -0.25 0.00 -0.71 0.00 0.00 52.86 51.27 1ssm s ASN 224 Cb 0.02 -0.06 -0.14 0.00 0.41 0.00 0.00 41.25 41.48 1ssm s ASN 224 CO 0.07 -0.07 0.61 -2.65 -1.51 0.00 0.00 177.10 173.55 1ssm n PRO 225 N 1.18 0.57 -4.02 -0.60 -0.02 -1.26 -4.94 135.00 125.90 1ssm n PRO 225 Ca -0.20 0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 1ssm n PRO 225 Cb 0.54 -1.42 -0.14 0.00 -0.02 0.00 0.00 33.50 32.46 1ssm n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ssm s VAL 226 N -1.28 3.15 0.75 -1.45 1.01 0.49 -5.00 120.40 118.07 1ssm s VAL 226 Ca 0.62 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1ssm s VAL 226 Cb -0.71 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 33.32 1ssm s VAL 226 CO 0.58 0.45 1.17 -2.84 0.00 0.00 0.00 175.10 174.46 1ssm s PRO 227 N 1.33 2.09 0.61 2.72 0.02 -1.26 -0.50 135.00 140.02 1ssm s PRO 227 Ca 0.04 1.59 -0.18 0.00 0.02 0.00 0.00 61.00 62.47 1ssm s PRO 227 Cb -0.14 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1ssm s PRO 227 CO -0.04 -1.83 0.96 0.39 -0.33 0.00 0.00 177.00 176.15 1ssm n GLU 228 N -3.00 0.86 -0.54 5.54 1.02 -1.26 -2.31 120.64 120.96 1ssm n GLU 228 Ca 0.12 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1ssm n GLU 228 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1ssm n GLU 228 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ssm n TYR 229 N -1.80 0.00 -1.91 -0.32 4.02 0.28 -4.88 117.16 112.56 1ssm n TYR 229 Ca 0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.74 1ssm n TYR 229 Cb 0.48 -1.46 0.10 0.00 -0.02 0.00 0.00 39.34 38.44 1ssm n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ssm s ALA 230 N -0.85 2.60 0.00 -0.72 0.00 -0.98 -4.78 121.76 117.03 1ssm s ALA 230 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1ssm s ALA 230 Cb 0.00 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1ssm s ALA 230 CO 0.00 -1.79 -0.21 0.99 0.00 0.00 0.00 175.76 174.75 1ssm s THR 231 N -3.62 1.67 -0.02 0.00 2.01 -1.26 -0.22 115.64 114.19 1ssm s THR 231 Ca 0.64 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1ssm s THR 231 Cb -0.10 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.01 1ssm s THR 231 CO 0.50 0.38 -0.07 0.00 -0.69 0.00 0.00 174.62 174.74 1ssm s ALA 232 N -0.59 0.71 -0.01 7.40 0.00 -0.71 -0.65 121.76 127.90 1ssm s ALA 232 Ca 0.08 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 1ssm s ALA 232 Cb -0.08 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1ssm s ALA 232 CO 0.00 0.11 0.47 0.00 0.00 0.00 0.00 175.76 176.34 1ssm s ALA 233 N 0.18 -1.20 0.00 0.00 0.00 -0.80 -1.34 121.76 118.60 1ssm s ALA 233 Ca -0.02 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1ssm s ALA 233 Cb -0.07 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1ssm s ALA 233 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1ssm n GLY 234 N 0.95 2.41 2.79 0.00 0.00 -1.26 -0.99 105.19 109.09 1ssm n GLY 234 Ca -0.20 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.41 1ssm n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssm s VAL 235 N -2.07 1.40 1.08 1.61 1.01 -1.26 -1.89 120.40 120.27 1ssm s VAL 235 Ca 0.00 -2.03 -0.17 0.00 0.00 0.00 0.00 61.98 59.78 1ssm s VAL 235 Cb 0.00 -2.02 0.24 0.00 0.00 0.00 0.00 36.38 34.60 1ssm s VAL 235 CO 0.00 -0.73 1.18 -2.84 0.00 0.00 0.00 175.10 172.70 1ssm s PRO 236 N 1.00 -0.26 0.27 2.72 0.02 -1.26 -5.02 135.00 132.46 1ssm s PRO 236 Ca 0.13 -0.10 -0.21 0.00 0.02 0.00 0.00 61.00 60.84 1ssm s PRO 236 Cb -0.20 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 1ssm s PRO 236 CO -0.13 -3.07 0.80 0.00 -0.33 0.00 0.00 177.00 174.27 1ssm s ALA 237 N -3.31 3.33 0.34 -1.55 0.00 -0.25 -4.81 121.76 115.52 1ssm s ALA 237 Ca 0.71 0.27 0.07 0.00 0.00 0.00 0.00 51.96 53.00 1ssm s ALA 237 Cb -0.09 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 1ssm s ALA 237 CO 0.55 0.28 -0.04 1.03 0.00 0.00 0.00 175.76 177.58 1ssm s ARG 238 N -2.12 1.76 -0.02 0.00 1.81 -0.16 -4.84 118.95 115.37 1ssm s ARG 238 Ca 0.47 -1.93 -0.20 0.00 -1.72 0.00 0.00 55.73 52.34 1ssm s ARG 238 Cb -0.16 -1.43 -0.05 0.00 -0.45 0.00 0.00 34.95 32.86 1ssm s ARG 238 CO 0.21 0.02 0.59 0.42 -0.68 0.00 0.00 175.30 175.86 1ssm s ILE 239 N -2.84 4.95 -0.01 1.52 1.01 -1.26 -1.90 121.20 122.67 1ssm s ILE 239 Ca 0.33 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.21 1ssm s ILE 239 Cb 0.05 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1ssm s ILE 239 CO 0.15 0.39 0.50 0.52 0.00 0.00 0.00 174.94 176.51