#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 0.39 -0.12 -4.42 3.38 -2.00 0.39 115.31 112.93 1ssm h LEU 3 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1ssm h LEU 3 Cb 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ssm h LEU 3 CO 0.00 0.25 -0.84 0.44 0.09 0.00 0.00 178.44 178.38 1ssm h ASP 4 N 0.44 0.94 -0.21 -0.43 3.32 -2.05 -0.09 116.42 118.34 1ssm h ASP 4 Ca 0.24 -0.65 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1ssm h ASP 4 Cb 0.38 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1ssm h ASP 4 CO -0.06 1.45 0.12 0.58 -1.72 0.00 0.00 179.24 179.61 1ssm h VAL 5 N 0.51 1.09 -0.26 -1.35 2.07 -1.74 0.23 116.25 116.79 1ssm h VAL 5 Ca -0.07 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.29 1ssm h VAL 5 Cb 1.47 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 1ssm h VAL 5 CO 0.17 0.08 -0.10 -0.25 0.02 0.00 0.00 177.57 177.49 1ssm h TRP 6 N 0.25 -0.25 -0.98 1.57 -0.00 -0.23 0.21 115.95 116.53 1ssm h TRP 6 Ca 0.07 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 59.03 1ssm h TRP 6 Cb 0.03 0.15 -0.06 0.00 -0.00 0.00 0.00 29.16 29.28 1ssm h TRP 6 CO -0.05 -0.17 0.63 1.96 -0.00 0.00 0.00 178.44 180.82 1ssm h GLN 7 N -0.06 1.18 -0.43 2.65 1.08 -0.42 -0.16 115.11 118.95 1ssm h GLN 7 Ca 0.13 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1ssm h GLN 7 Cb 0.26 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1ssm h GLN 7 CO -0.30 0.78 -0.12 0.45 -0.95 0.00 0.00 178.83 178.68 1ssm h HIS 8 N 1.21 0.86 -0.63 2.96 3.86 0.86 -2.64 115.15 121.64 1ssm h HIS 8 Ca 0.40 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1ssm h HIS 8 Cb 0.04 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1ssm h HIS 8 CO -0.01 0.86 0.17 0.82 0.86 0.00 0.00 177.93 180.63 1ssm h ILE 9 N 0.70 1.24 -0.12 2.45 2.04 0.10 -1.13 117.51 122.79 1ssm h ILE 9 Ca 0.12 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1ssm h ILE 9 Cb 0.61 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1ssm h ILE 9 CO 0.04 0.33 0.02 0.03 0.00 0.00 0.00 178.15 178.57 1ssm h ARG 10 N 0.93 0.21 0.00 2.37 3.08 -1.01 -0.23 114.38 119.73 1ssm h ARG 10 Ca 0.20 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1ssm h ARG 10 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1ssm h ARG 10 CO -0.00 0.41 -0.26 1.96 -1.07 0.00 0.00 179.97 181.00 1ssm h GLN 11 N -0.02 0.00 -0.23 0.04 1.08 -1.35 -1.50 115.11 113.13 1ssm h GLN 11 Ca 0.04 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.07 1ssm h GLN 11 Cb 0.30 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1ssm h GLN 11 CO 0.00 0.26 -0.53 0.93 -0.95 0.00 0.00 178.83 178.54 1ssm h GLU 12 N 0.00 0.66 -0.73 1.46 5.08 -0.95 -3.12 114.58 116.99 1ssm h GLU 12 Ca -0.00 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 1ssm h GLU 12 Cb 0.47 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1ssm h GLU 12 CO 0.03 1.02 0.24 0.00 -1.00 0.00 0.00 179.01 179.30 1ssm h ALA 13 N 0.90 0.95 -0.69 3.43 0.00 -0.07 0.64 119.26 124.41 1ssm h ALA 13 Ca 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1ssm h ALA 13 Cb 1.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1ssm h ALA 13 CO 0.11 0.63 0.22 0.87 0.00 0.00 0.00 179.25 181.08 1ssm h LYS 14 N 1.07 1.06 0.54 0.00 1.57 -1.36 0.12 116.57 119.58 1ssm h LYS 14 Ca 0.24 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1ssm h LYS 14 Cb 0.29 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1ssm h LYS 14 CO -0.01 0.90 -0.26 0.93 -0.57 0.00 0.00 179.45 180.44 1ssm h GLU 15 N 1.02 -0.70 -0.38 3.15 4.39 -1.42 -2.39 114.58 118.25 1ssm h GLU 15 Ca 0.23 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.05 1ssm h GLU 15 Cb 0.28 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 1ssm h GLU 15 CO -0.01 -0.40 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.27 1ssm h LEU 16 N -0.89 -0.36 -1.59 1.33 -0.00 -0.69 -1.68 115.31 111.43 1ssm h LEU 16 Ca -0.07 0.12 0.02 0.00 -0.00 0.00 0.00 57.88 57.95 1ssm h LEU 16 Cb 0.62 0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.49 1ssm h LEU 16 CO 0.12 -0.13 0.31 0.00 -0.00 0.00 0.00 178.44 178.74 1ssm h ALA 17 N 1.37 1.76 -0.08 1.53 0.00 -0.98 -1.94 119.26 120.93 1ssm h ALA 17 Ca 0.18 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1ssm h ALA 17 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ssm h ALA 17 CO -0.39 0.19 -0.74 0.93 0.00 0.00 0.00 179.25 179.23 1ssm h GLU 18 N 0.55 0.42 0.00 0.00 5.08 -0.79 -3.24 114.58 116.59 1ssm h GLU 18 Ca 0.18 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ssm h GLU 18 Cb 0.06 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ssm h GLU 18 CO -0.05 0.99 -0.25 -0.91 -1.00 0.00 0.00 179.01 177.80 1ssm h ASN 19 N 0.28 0.00 -3.02 1.42 2.35 -0.85 -3.40 115.58 112.36 1ssm h ASN 19 Ca -0.03 -0.04 -0.60 0.00 -0.55 0.00 0.00 56.30 55.07 1ssm h ASN 19 Cb 1.33 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.30 1ssm h ASN 19 CO 0.13 0.02 -0.78 -0.70 -1.65 0.00 0.00 177.43 174.45 1ssm s GLU 20 N -3.18 1.39 0.00 0.81 2.56 -0.78 -5.09 118.70 114.41 1ssm s GLU 20 Ca 0.07 -2.29 0.00 0.00 0.00 0.00 0.00 54.97 52.75 1ssm s GLU 20 Cb 0.10 -2.25 0.00 0.00 2.00 0.00 0.00 34.13 33.98 1ssm s GLU 20 CO 0.67 -1.26 0.07 -2.30 -0.56 0.00 0.00 175.26 171.88 1ssm n PRO 21 N 3.02 0.00 0.00 4.30 -0.02 -1.25 -2.01 135.00 139.03 1ssm n PRO 21 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1ssm n PRO 21 Cb 0.39 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 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 1.75 0.00 -0.19 2.45 7.94 -1.26 -4.49 117.00 123.21 1ssm n LEU 23 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1ssm n LEU 23 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 1ssm n LEU 23 CO 0.03 0.00 0.97 0.00 -1.11 0.00 0.00 177.39 177.28 1ssm h ALA 24 N 0.00 0.71 0.00 1.96 0.00 -1.63 -1.03 119.26 119.27 1ssm h ALA 24 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ssm h ALA 24 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ssm h ALA 24 CO 0.00 -0.21 -0.25 0.66 0.00 0.00 0.00 179.25 179.44 1ssm h SER 25 N 0.37 0.00 0.16 0.00 4.64 -1.90 -1.19 113.55 115.63 1ssm h SER 25 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1ssm h SER 25 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ssm h SER 25 CO -0.30 0.25 -0.08 0.15 -0.87 0.00 0.00 176.83 175.99 1ssm h PHE 26 N 0.00 -0.20 -0.26 4.77 3.57 -1.62 0.09 116.94 123.29 1ssm h PHE 26 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ssm h PHE 26 Cb 0.47 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1ssm h PHE 26 CO 0.00 0.03 0.10 0.74 -2.23 0.00 0.00 178.31 176.95 1ssm h PHE 27 N -0.42 0.36 -0.08 0.41 0.05 -0.88 -1.22 116.94 115.16 1ssm h PHE 27 Ca -0.02 -0.01 -0.15 0.00 3.82 0.00 0.00 57.97 61.61 1ssm h PHE 27 Cb 0.33 -0.11 0.01 0.00 2.00 0.00 0.00 35.95 38.17 1ssm h PHE 27 CO -0.01 0.29 -0.54 0.45 -0.18 0.00 0.00 178.31 178.33 1ssm h HIS 28 N 0.37 0.69 -0.44 -0.55 3.86 -1.07 0.14 115.15 118.15 1ssm h HIS 28 Ca 0.09 -0.32 -0.13 0.00 -1.16 0.00 0.00 60.37 58.85 1ssm h HIS 28 Cb 0.09 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1ssm h HIS 28 CO 0.00 1.11 -0.24 0.77 0.86 0.00 0.00 177.93 180.43 1ssm h SER 29 N 0.08 0.94 0.56 2.45 0.02 -0.82 -1.75 113.55 115.04 1ssm h SER 29 Ca -0.04 -0.36 -0.28 0.00 -0.84 0.00 0.00 61.79 60.26 1ssm h SER 29 Cb 1.19 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1ssm h SER 29 CO 0.11 1.13 -1.58 0.71 -1.14 0.00 0.00 176.83 176.06 1ssm h THR 30 N 0.78 1.01 0.00 -2.27 1.35 -1.30 -3.45 112.91 109.04 1ssm h THR 30 Ca 0.10 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 1ssm h THR 30 Cb 0.80 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1ssm h THR 30 CO 0.07 0.61 0.00 -0.38 -0.25 0.00 0.00 175.52 175.57 1ssm n ILE 31 N -3.15 0.23 -0.30 6.82 5.41 0.35 -4.58 119.36 124.15 1ssm n ILE 31 Ca -0.14 0.08 0.20 0.00 1.00 0.00 0.00 62.75 63.88 1ssm n ILE 31 Cb 1.03 -0.84 0.48 0.00 -0.71 0.00 0.00 39.64 39.60 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 0.49 0.00 1.39 3.38 -1.27 -1.90 115.31 117.41 1ssm h LEU 32 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ssm h LEU 32 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ssm h LEU 32 CO 0.00 0.14 0.00 2.29 0.09 0.00 0.00 178.44 180.96 1ssm n LYS 33 N -4.61 0.02 -3.53 1.13 2.85 -0.66 -4.81 118.16 108.56 1ssm n LYS 33 Ca 0.23 0.10 -0.26 0.00 -1.05 0.00 0.00 58.31 57.33 1ssm n LYS 33 Cb 0.77 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.63 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 -2.98 3.49 -1.56 5.58 3.76 -0.71 -5.01 115.29 117.85 1ssm s HIS 34 Ca 0.12 0.36 0.19 0.00 -0.15 0.00 0.00 55.06 55.58 1ssm s HIS 34 Cb 0.15 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 1ssm s HIS 34 CO 0.42 0.24 0.92 1.04 -0.85 0.00 0.00 174.74 176.52 1ssm n GLN 35 N -1.24 1.38 -3.83 1.40 6.02 -1.26 -4.99 117.38 114.86 1ssm n GLN 35 Ca -0.05 -0.72 -0.08 0.00 -0.01 0.00 0.00 57.00 56.15 1ssm n GLN 35 Cb 0.55 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.42 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 -2.28 -0.28 0.38 1.08 2.20 -1.26 -5.05 114.94 109.73 1ssm s ASN 36 Ca 0.14 -0.57 0.08 0.00 -0.94 0.00 0.00 52.86 51.57 1ssm s ASN 36 Cb 0.15 0.71 0.77 0.00 -2.00 0.00 0.00 41.25 40.88 1ssm s ASN 36 CO 0.54 -1.30 1.94 0.25 -2.94 0.00 0.00 177.10 175.58 1ssm h LEU 37 N 2.01 0.32 -1.26 3.54 5.85 -1.94 -2.52 115.31 121.31 1ssm h LEU 37 Ca -0.21 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 1ssm h LEU 37 Cb 1.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1ssm h LEU 37 CO 0.25 0.40 -0.22 1.23 -0.34 0.00 0.00 178.44 179.77 1ssm h GLY 38 N 0.70 0.25 1.08 3.75 0.00 -1.97 0.18 103.07 107.06 1ssm h GLY 38 Ca 0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1ssm h GLY 38 CO 0.01 0.16 -0.22 -1.33 0.00 0.00 0.00 176.54 175.17 1ssm h GLY 39 N 0.90 1.02 0.61 4.60 0.00 -1.87 0.69 103.07 109.01 1ssm h GLY 39 Ca 0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1ssm h GLY 39 CO 0.03 0.83 -0.03 0.00 0.00 0.00 0.00 176.54 177.38 1ssm h ALA 40 N 0.84 -0.08 -0.49 3.60 0.00 -1.36 -2.09 119.26 119.68 1ssm h ALA 40 Ca 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ssm h ALA 40 Cb 0.79 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1ssm h ALA 40 CO 0.07 -0.35 0.32 1.25 0.00 0.00 0.00 179.25 180.54 1ssm h LEU 41 N -0.47 0.55 -0.31 0.00 5.85 -0.61 0.77 115.31 121.09 1ssm h LEU 41 Ca -0.01 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1ssm h LEU 41 Cb 0.42 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ssm h LEU 41 CO 0.01 0.40 0.09 0.77 -0.34 0.00 0.00 178.44 179.37 1ssm h SER 42 N 0.65 0.46 -0.46 1.25 4.64 -0.89 0.22 113.55 119.42 1ssm h SER 42 Ca 0.18 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ssm h SER 42 Cb -0.06 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1ssm h SER 42 CO -0.05 0.55 0.29 0.22 -0.87 0.00 0.00 176.83 176.97 1ssm h TYR 43 N 0.34 0.60 -0.12 4.77 5.03 -1.05 0.18 116.97 126.71 1ssm h TYR 43 Ca 0.10 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1ssm h TYR 43 Cb 0.26 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1ssm h TYR 43 CO 0.01 0.40 0.06 -0.07 -1.32 0.00 0.00 178.16 177.24 1ssm h LEU 44 N 0.62 0.17 -0.53 2.82 3.38 -0.39 -1.31 115.31 120.06 1ssm h LEU 44 Ca 0.17 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1ssm h LEU 44 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ssm h LEU 44 CO -0.03 0.26 -0.45 -0.07 0.09 0.00 0.00 178.44 178.23 1ssm h LEU 45 N 0.07 0.72 -0.27 1.67 3.38 -0.40 -1.59 115.31 118.88 1ssm h LEU 45 Ca 0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ssm h LEU 45 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ssm h LEU 45 CO -0.00 1.07 0.17 0.00 0.09 0.00 0.00 178.44 179.77 1ssm h ALA 46 N 0.96 0.34 -0.52 1.53 0.00 -0.57 -0.88 119.26 120.12 1ssm h ALA 46 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ssm h ALA 46 Cb 1.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ssm h ALA 46 CO 0.09 -0.17 0.03 -0.91 0.00 0.00 0.00 179.25 178.29 1ssm h ASN 47 N 0.35 0.81 1.08 0.00 2.35 -1.07 -1.59 115.58 117.52 1ssm h ASN 47 Ca 0.10 -0.19 -0.17 0.00 -0.55 0.00 0.00 56.30 55.49 1ssm h ASN 47 Cb -0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1ssm h ASN 47 CO -0.02 0.86 -0.81 0.11 -1.65 0.00 0.00 177.43 175.92 1ssm h LYS 48 N 0.80 0.00 -0.00 0.81 1.79 -1.06 -3.14 116.57 115.76 1ssm h LYS 48 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1ssm h LYS 48 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1ssm h LYS 48 CO 0.02 0.81 -0.47 1.28 -1.08 0.00 0.00 179.45 180.01 1ssm n LEU 49 N -3.37 0.61 -4.73 2.94 4.77 -0.36 -4.84 117.00 112.03 1ssm n LEU 49 Ca 0.00 -0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.54 1ssm n LEU 49 Cb 0.84 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1ssm n LEU 49 CO 0.44 0.14 0.92 0.00 -1.33 0.00 0.00 177.39 177.57 1ssm n ALA 50 N -1.34 1.34 -2.94 -1.18 0.00 -0.60 -5.00 120.51 110.78 1ssm n ALA 50 Ca 0.07 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 1ssm n ALA 50 Cb 0.34 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.40 1ssm n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ssm s ASN 51 N -1.04 -0.03 0.44 0.00 2.20 -1.26 -4.96 114.94 110.30 1ssm s ASN 51 Ca 0.74 -1.03 0.31 0.00 -0.94 0.00 0.00 52.86 51.94 1ssm s ASN 51 Cb -0.41 0.53 1.47 0.00 -2.00 0.00 0.00 41.25 40.84 1ssm s ASN 51 CO 0.47 -1.06 1.93 -0.65 -2.94 0.00 0.00 177.10 174.85 1ssm h PRO 52 N 2.35 0.00 -0.56 3.55 0.11 -2.04 -3.03 132.00 132.38 1ssm h PRO 52 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ssm h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ssm h PRO 52 CO 0.40 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.30 1ssm n ILE 53 N -2.66 0.52 -3.69 4.15 5.41 -1.26 -5.13 119.36 116.70 1ssm n ILE 53 Ca -0.00 -0.33 -0.09 0.00 1.00 0.00 0.00 62.75 63.32 1ssm n ILE 53 Cb 0.16 -0.16 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 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 -1.60 1.53 0.26 0.38 0.02 -1.15 -5.14 135.00 129.31 1ssm s PRO 55 Ca 0.14 -0.80 -0.03 0.00 0.02 0.00 0.00 61.00 60.34 1ssm s PRO 55 Cb 0.09 0.58 0.40 0.00 0.02 0.00 0.00 34.50 35.60 1ssm s PRO 55 CO 0.07 -0.68 1.88 0.00 -0.33 0.00 0.00 177.00 177.93 1ssm h ALA 56 N 2.05 1.39 -0.67 -1.55 0.00 -1.85 -1.26 119.26 117.37 1ssm h ALA 56 Ca -0.26 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1ssm h ALA 56 Cb 1.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1ssm h ALA 56 CO 0.31 0.43 0.44 0.97 0.00 0.00 0.00 179.25 181.40 1ssm h ILE 57 N 1.17 1.05 0.03 0.00 2.10 -2.00 0.14 117.51 120.00 1ssm h ILE 57 Ca 0.43 -0.25 -0.25 0.00 1.08 0.00 0.00 64.86 65.87 1ssm h ILE 57 Cb 0.17 0.25 0.01 0.00 -1.09 0.00 0.00 36.82 36.16 1ssm h ILE 57 CO -0.17 0.13 -1.03 0.28 -1.08 0.00 0.00 178.15 176.28 1ssm h SER 58 N 0.74 0.66 -0.24 2.19 0.02 -1.68 -3.27 113.55 111.96 1ssm h SER 58 Ca 0.28 -0.55 -0.17 0.00 -0.84 0.00 0.00 61.79 60.51 1ssm h SER 58 Cb 0.17 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1ssm h SER 58 CO -0.08 1.36 -0.48 -0.07 -1.14 0.00 0.00 176.83 176.42 1ssm h LEU 59 N 0.26 0.88 -1.36 5.07 3.38 -0.63 -3.13 115.31 119.79 1ssm h LEU 59 Ca -0.11 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.43 1ssm h LEU 59 Cb 1.68 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 1ssm h LEU 59 CO 0.19 1.21 0.44 -0.09 0.09 0.00 0.00 178.44 180.28 1ssm h ARG 60 N 0.64 0.86 0.00 1.13 2.43 -0.82 -1.26 114.38 117.35 1ssm h ARG 60 Ca 0.03 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1ssm h ARG 60 Cb 1.06 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1ssm h ARG 60 CO 0.11 0.57 -0.16 1.49 -1.51 0.00 0.00 179.97 180.46 1ssm h GLU 61 N 0.88 0.00 0.24 0.20 4.81 -1.59 -0.14 114.58 118.97 1ssm h GLU 61 Ca 0.25 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.13 1ssm h GLU 61 Cb -0.07 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.34 1ssm h GLU 61 CO -0.06 0.16 -1.57 0.82 -0.73 0.00 0.00 179.01 177.63 1ssm h ILE 62 N 0.00 1.18 -0.38 2.32 2.04 -1.33 -2.55 117.51 118.78 1ssm h ILE 62 Ca -0.00 -2.65 -0.09 0.00 1.00 0.00 0.00 64.86 63.12 1ssm h ILE 62 Cb 0.58 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1ssm h ILE 62 CO 0.02 0.82 -0.12 0.40 0.00 0.00 0.00 178.15 179.27 1ssm h ILE 63 N 0.14 1.28 -0.06 -0.67 2.04 -0.85 -2.58 117.51 116.80 1ssm h ILE 63 Ca -0.28 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 1ssm h ILE 63 Cb 2.16 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 1ssm h ILE 63 CO 0.25 0.41 -0.37 -0.33 0.00 0.00 0.00 178.15 178.11 1ssm h GLU 64 N 0.56 0.12 -0.42 2.37 5.08 -1.12 -1.36 114.58 119.82 1ssm h GLU 64 Ca 0.09 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1ssm h GLU 64 Cb 0.65 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1ssm h GLU 64 CO 0.04 0.48 -0.04 0.93 -1.00 0.00 0.00 179.01 179.43 1ssm h GLU 65 N 0.11 0.77 -0.02 2.33 4.39 -1.33 -1.90 114.58 118.93 1ssm h GLU 65 Ca 0.01 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.48 1ssm h GLU 65 Cb 0.71 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1ssm h GLU 65 CO 0.05 0.86 -0.17 0.00 -1.16 0.00 0.00 179.01 178.59 1ssm h ALA 66 N 0.88 -0.19 -0.08 3.43 0.00 -1.02 0.34 119.26 122.61 1ssm h ALA 66 Ca 0.11 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ssm h ALA 66 Cb 0.54 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ssm h ALA 66 CO 0.03 -0.66 0.12 1.88 0.00 0.00 0.00 179.25 180.62 1ssm h TYR 67 N -0.27 0.00 0.17 0.00 0.99 -1.15 0.19 116.97 116.89 1ssm h TYR 67 Ca 0.06 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.44 1ssm h TYR 67 Cb 0.35 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.09 1ssm h TYR 67 CO -0.23 0.00 -1.81 0.37 -0.00 0.00 0.00 178.16 176.49 1ssm h GLN 68 N 0.00 0.36 0.00 4.88 5.75 -0.27 -2.73 115.11 123.09 1ssm h GLN 68 Ca 0.04 -0.61 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1ssm h GLN 68 Cb 0.28 0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1ssm h GLN 68 CO -0.00 1.29 0.00 0.77 -2.65 0.00 0.00 178.83 178.24 1ssm h SER 69 N 0.08 0.00 -1.17 -0.69 0.02 0.75 -3.38 113.55 109.15 1ssm h SER 69 Ca -0.37 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.19 1ssm h SER 69 Cb 2.07 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 64.34 1ssm h SER 69 CO 0.15 0.00 -0.80 -3.20 -1.14 0.00 0.00 176.83 171.84 1ssm n ASN 70 N -2.81 -1.42 0.17 3.07 2.85 0.55 -4.99 115.26 112.67 1ssm n ASN 70 Ca 0.03 -2.92 0.16 0.00 -0.11 0.00 0.00 54.58 51.74 1ssm n ASN 70 Cb 0.40 0.55 0.56 0.00 1.24 0.00 0.00 39.78 42.52 1ssm n ASN 70 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ssm h PRO 71 N 4.26 0.00 0.00 1.20 0.11 -1.67 -1.74 132.00 134.16 1ssm h PRO 71 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1ssm h PRO 71 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ssm h PRO 71 CO 0.36 0.00 -0.18 0.66 -0.21 0.00 0.00 178.00 178.63 1ssm h SER 72 N 0.00 0.00 -0.98 -2.05 4.64 -1.94 -2.68 113.55 110.54 1ssm h SER 72 Ca 0.15 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.65 1ssm h SER 72 Cb 1.48 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.48 1ssm h SER 72 CO -0.00 0.18 0.61 0.40 -0.87 0.00 0.00 176.83 177.15 1ssm h ILE 73 N 0.00 0.73 -0.06 0.95 2.04 -1.68 0.59 117.51 120.07 1ssm h ILE 73 Ca -0.00 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 1ssm h ILE 73 Cb 0.59 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1ssm h ILE 73 CO 0.02 0.13 -0.45 0.40 0.00 0.00 0.00 178.15 178.25 1ssm h ILE 74 N 0.70 1.33 -0.27 -0.67 2.04 -1.69 -1.96 117.51 116.98 1ssm h ILE 74 Ca 0.54 -1.60 -0.10 0.00 1.00 0.00 0.00 64.86 64.69 1ssm h ILE 74 Cb 0.92 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1ssm h ILE 74 CO -0.30 0.47 -0.24 0.44 0.00 0.00 0.00 178.15 178.51 1ssm h ASP 75 N 0.12 0.68 -0.18 1.72 3.32 0.01 -2.43 116.42 119.66 1ssm h ASP 75 Ca 0.01 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1ssm h ASP 75 Cb 0.85 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1ssm h ASP 75 CO 0.07 1.00 0.06 0.00 -1.72 0.00 0.00 179.24 178.64 1ssm h ALA 77 N 1.73 -0.24 -0.83 0.00 0.00 -1.04 -0.19 119.26 118.69 1ssm h ALA 77 Ca 0.08 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ssm h ALA 77 Cb 0.14 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1ssm h ALA 77 CO -0.00 -0.57 0.54 0.00 0.00 0.00 0.00 179.25 179.22 1ssm h ALA 78 N 0.43 1.69 -0.71 0.00 0.00 -0.97 -0.07 119.26 119.62 1ssm h ALA 78 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ssm h ALA 78 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ssm h ALA 78 CO 0.04 0.15 0.31 0.00 0.00 0.00 0.00 179.25 179.75 1ssm h ASP 80 N 1.02 0.51 -0.22 0.00 3.32 0.67 -2.34 116.42 119.39 1ssm h ASP 80 Ca 0.24 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ssm h ASP 80 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1ssm h ASP 80 CO -0.03 0.85 0.13 0.40 -1.72 0.00 0.00 179.24 178.87 1ssm h ILE 81 N 0.41 1.10 -0.83 0.35 2.04 -0.46 -1.13 117.51 118.99 1ssm h ILE 81 Ca 0.04 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.69 1ssm h ILE 81 Cb 0.86 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1ssm h ILE 81 CO 0.07 0.10 0.51 -0.61 0.00 0.00 0.00 178.15 178.22 1ssm h GLN 82 N 0.26 0.93 -0.21 2.37 4.15 -1.16 -0.19 115.11 121.27 1ssm h GLN 82 Ca 0.08 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1ssm h GLN 82 Cb 0.05 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1ssm h GLN 82 CO -0.01 0.62 0.04 0.00 -1.93 0.00 0.00 178.83 177.55 1ssm h ALA 83 N 1.38 0.27 -0.35 3.38 0.00 -0.86 0.24 119.26 123.32 1ssm h ALA 83 Ca 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ssm h ALA 83 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ssm h ALA 83 CO -0.15 -0.07 0.17 0.28 0.00 0.00 0.00 179.25 179.48 1ssm h VAL 84 N 0.15 1.16 0.02 0.00 2.07 -0.99 0.25 116.25 118.91 1ssm h VAL 84 Ca 0.06 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ssm h VAL 84 Cb 0.29 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ssm h VAL 84 CO 0.00 0.17 -0.09 -0.09 0.02 0.00 0.00 177.57 177.58 1ssm h ARG 85 N 0.43 -0.12 -0.05 1.57 2.43 -0.70 -2.30 114.38 115.65 1ssm h ARG 85 Ca 0.12 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ssm h ARG 85 Cb 0.11 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1ssm h ARG 85 CO -0.02 -0.08 0.00 -2.39 -1.51 0.00 0.00 179.97 175.98 1ssm n HIS 86 N -2.95 0.07 1.17 2.20 1.44 0.83 -3.10 115.22 114.87 1ssm n HIS 86 Ca -0.01 -0.03 0.12 0.00 -2.01 0.00 0.00 57.72 55.79 1ssm n HIS 86 Cb 0.07 0.00 0.23 0.00 0.12 0.00 0.00 29.99 30.41 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 -0.34 1.78 -3.56 -1.40 1.74 0.85 -4.68 116.66 111.05 1ssm n ARG 87 Ca 0.17 -1.34 -0.28 0.00 -0.77 0.00 0.00 57.85 55.63 1ssm n ARG 87 Cb 0.20 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 30.01 1ssm n ARG 87 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ssm s ASP 88 N -2.14 3.09 0.49 0.55 -1.08 -0.90 -5.02 116.67 111.66 1ssm s ASP 88 Ca 0.29 -1.04 0.26 0.00 -0.52 0.00 0.00 52.55 51.54 1ssm s ASP 88 Cb 0.20 -0.30 1.41 0.00 -1.46 0.00 0.00 42.92 42.76 1ssm s ASP 88 CO 0.38 -0.41 1.76 -0.65 0.52 0.00 0.00 175.17 176.78 1ssm h PRO 89 N 8.41 0.00 0.00 4.34 0.11 -1.83 0.20 132.00 143.23 1ssm h PRO 89 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1ssm h PRO 89 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ssm h PRO 89 CO 0.39 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 1ssm n ALA 90 N -1.80 2.11 -2.78 -0.75 0.00 -1.26 -4.45 120.51 111.57 1ssm n ALA 90 Ca -0.02 0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 1ssm n ALA 90 Cb 0.23 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 1ssm n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ssm s VAL 91 N -3.16 4.82 -0.12 0.00 1.01 0.70 -4.91 120.40 118.74 1ssm s VAL 91 Ca 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1ssm s VAL 91 Cb 0.12 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1ssm s VAL 91 CO 0.54 0.12 -0.09 -1.84 0.00 0.00 0.00 175.10 173.83 1ssm n GLU 92 N 5.01 0.63 -3.10 2.72 0.28 -1.26 -4.77 120.64 120.15 1ssm n GLU 92 Ca -0.14 0.06 -0.39 0.00 -0.16 0.00 0.00 57.16 56.53 1ssm n GLU 92 Cb 0.50 -1.25 -0.06 0.00 1.43 0.00 0.00 31.44 32.06 1ssm n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ssm s LEU 93 N -5.58 4.52 0.44 -1.84 1.43 -1.26 -4.99 118.68 111.40 1ssm s LEU 93 Ca -0.15 1.42 0.19 0.00 -1.03 0.00 0.00 54.13 54.57 1ssm s LEU 93 Cb 0.04 -3.11 1.01 0.00 0.03 0.00 0.00 46.19 44.16 1ssm s LEU 93 CO 0.31 0.18 1.92 -0.50 0.23 0.00 0.00 176.35 178.48 1ssm h TRP 94 N 4.83 0.00 0.00 0.29 4.06 -1.95 -2.94 115.95 120.24 1ssm h TRP 94 Ca -0.47 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.40 1ssm h TRP 94 Cb 1.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 1ssm h TRP 94 CO 0.66 0.26 -0.39 0.66 -3.56 0.00 0.00 178.44 176.07 1ssm h SER 95 N 0.00 0.00 -0.46 -3.49 4.64 -1.89 -3.35 113.55 109.00 1ssm h SER 95 Ca -0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1ssm h SER 95 Cb 0.55 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.57 1ssm h SER 95 CO 0.03 0.39 0.02 0.74 -0.87 0.00 0.00 176.83 177.14 1ssm h THR 96 N 0.00 0.67 -0.50 2.95 2.02 -1.94 -0.83 112.91 115.28 1ssm h THR 96 Ca -0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1ssm h THR 96 Cb 0.83 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1ssm h THR 96 CO 0.05 0.02 0.22 -0.65 0.37 0.00 0.00 175.52 175.54 1ssm h PRO 97 N 0.13 0.74 -0.34 6.66 0.11 -1.78 -0.67 132.00 136.85 1ssm h PRO 97 Ca 0.23 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ssm h PRO 97 Cb 0.33 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1ssm h PRO 97 CO -0.36 0.63 0.22 1.25 -0.21 0.00 0.00 178.00 179.53 1ssm h LEU 98 N 0.67 0.40 0.00 2.35 5.85 -1.64 -3.21 115.31 119.73 1ssm h LEU 98 Ca 0.17 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 1ssm h LEU 98 Cb 0.15 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ssm h LEU 98 CO -0.02 0.32 -1.11 -0.07 -0.34 0.00 0.00 178.44 177.22 1ssm h LEU 99 N 0.46 0.00 0.00 2.25 3.38 -1.07 -3.45 115.31 116.88 1ssm h LEU 99 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ssm h LEU 99 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ssm h LEU 99 CO -0.03 0.85 -0.79 -1.22 0.09 0.00 0.00 178.44 177.34 1ssm n TYR 100 N -3.20 0.00 -2.36 1.13 0.53 -0.27 -5.03 117.16 107.96 1ssm n TYR 100 Ca -0.05 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.43 1ssm n TYR 100 Cb 0.91 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.19 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 -3.98 3.31 0.62 7.72 1.43 -1.21 -4.93 118.68 121.64 1ssm s LEU 101 Ca 0.00 0.09 0.29 0.00 -1.03 0.00 0.00 54.13 53.48 1ssm s LEU 101 Cb 0.00 -2.81 1.53 0.00 0.03 0.00 0.00 46.19 44.94 1ssm s LEU 101 CO 0.00 -1.88 1.91 0.07 0.23 0.00 0.00 176.35 176.68 1ssm h LYS 102 N 11.56 0.00 -0.11 1.70 2.10 -1.90 0.57 116.57 130.49 1ssm h LYS 102 Ca -0.27 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.34 1ssm h LYS 102 Cb 1.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1ssm h LYS 102 CO 1.21 0.00 -0.09 0.78 -2.00 0.00 0.00 179.45 179.35 1ssm h GLY 103 N 0.00 0.28 0.52 0.07 0.00 -1.84 -0.17 103.07 101.93 1ssm h GLY 103 Ca 0.12 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.25 1ssm h GLY 103 CO -0.00 0.25 0.18 -2.75 0.00 0.00 0.00 176.54 174.22 1ssm h PHE 104 N -0.14 0.32 -0.24 5.60 3.57 -1.13 -0.97 116.94 123.96 1ssm h PHE 104 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ssm h PHE 104 Cb 0.59 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1ssm h PHE 104 CO 0.08 0.11 0.12 0.45 -2.23 0.00 0.00 178.31 176.84 1ssm h HIS 105 N 0.36 0.35 -0.93 0.41 3.86 -1.26 -1.75 115.15 116.19 1ssm h HIS 105 Ca 0.24 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1ssm h HIS 105 Cb 0.26 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 1ssm h HIS 105 CO -0.16 0.33 0.59 0.00 0.86 0.00 0.00 177.93 179.55 1ssm h ALA 106 N 0.98 1.18 -0.21 2.45 0.00 -0.65 0.30 119.26 123.32 1ssm h ALA 106 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ssm h ALA 106 Cb 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ssm h ALA 106 CO -0.01 0.60 0.06 0.82 0.00 0.00 0.00 179.25 180.72 1ssm h ILE 107 N 1.27 1.19 -0.13 0.00 2.04 -0.95 -0.21 117.51 120.72 1ssm h ILE 107 Ca 0.34 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 1ssm h ILE 107 Cb -0.10 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1ssm h ILE 107 CO -0.07 0.19 -0.32 1.56 0.00 0.00 0.00 178.15 179.51 1ssm h GLN 108 N 0.16 0.25 -0.58 2.37 1.08 -0.80 -1.74 115.11 115.84 1ssm h GLN 108 Ca 0.07 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1ssm h GLN 108 Cb 0.23 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1ssm h GLN 108 CO -0.00 0.55 -0.00 0.77 -0.95 0.00 0.00 178.83 179.20 1ssm h SER 109 N 0.22 1.00 -0.31 1.46 0.02 -0.88 -2.54 113.55 112.51 1ssm h SER 109 Ca 0.03 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1ssm h SER 109 Cb 0.69 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1ssm h SER 109 CO 0.05 1.05 0.01 0.22 -1.14 0.00 0.00 176.83 177.02 1ssm h TYR 110 N 0.93 0.69 -0.76 3.45 3.20 -0.22 -2.15 116.97 122.10 1ssm h TYR 110 Ca 0.17 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1ssm h TYR 110 Cb 0.55 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1ssm h TYR 110 CO 0.04 0.65 0.50 0.00 -1.64 0.00 0.00 178.16 177.71 1ssm h ARG 111 N 0.62 0.91 -0.50 1.82 3.08 -0.91 0.28 114.38 119.67 1ssm h ARG 111 Ca 0.13 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1ssm h ARG 111 Cb 0.38 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1ssm h ARG 111 CO 0.01 0.60 0.00 0.82 -1.07 0.00 0.00 179.97 180.34 1ssm h ILE 112 N 0.93 1.26 -0.58 2.04 2.04 -1.29 -1.59 117.51 120.33 1ssm h ILE 112 Ca 0.30 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1ssm h ILE 112 Cb 0.05 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1ssm h ILE 112 CO -0.09 0.38 0.08 0.71 0.00 0.00 0.00 178.15 179.23 1ssm h THR 113 N 0.75 1.25 -0.40 -0.27 1.35 -0.59 -1.04 112.91 113.96 1ssm h THR 113 Ca 0.14 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 65.01 1ssm h THR 113 Cb 0.51 0.72 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1ssm h THR 113 CO 0.03 0.36 0.18 -0.74 -0.25 0.00 0.00 175.52 175.10 1ssm h HIS 114 N 0.88 0.59 -0.76 4.73 -0.00 -0.15 0.83 115.15 121.27 1ssm h HIS 114 Ca 0.18 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1ssm h HIS 114 Cb 0.41 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 1ssm h HIS 114 CO 0.03 0.50 0.42 -0.92 -0.00 0.00 0.00 177.93 177.95 1ssm h TYR 115 N 0.51 1.03 -0.24 5.26 3.20 -1.14 -0.87 116.97 124.72 1ssm h TYR 115 Ca 0.14 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 1ssm h TYR 115 Cb 0.14 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1ssm h TYR 115 CO -0.01 0.72 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.89 1ssm h LEU 116 N 1.06 0.47 -0.42 2.82 3.38 -0.37 -1.36 115.31 120.89 1ssm h LEU 116 Ca 0.27 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1ssm h LEU 116 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ssm h LEU 116 CO -0.04 0.73 -0.03 -0.25 0.09 0.00 0.00 178.44 178.94 1ssm h TRP 117 N 0.41 0.84 0.00 1.13 2.91 -0.02 0.29 115.95 121.52 1ssm h TRP 117 Ca 0.06 -0.16 0.00 0.00 1.13 0.00 0.00 58.89 59.92 1ssm h TRP 117 Cb 0.69 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 1ssm h TRP 117 CO 0.02 0.84 0.00 0.09 -1.03 0.00 0.00 178.44 178.36 1ssm n ASN 118 N -4.39 0.00 -1.04 2.65 3.02 -0.41 -1.60 115.26 113.49 1ssm n ASN 118 Ca -0.00 0.26 0.10 0.00 -0.03 0.00 0.00 54.58 54.90 1ssm n ASN 118 Cb 0.31 -0.41 0.26 0.00 -0.61 0.00 0.00 39.78 39.33 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 -1.41 2.31 -2.38 3.52 1.13 -0.53 -4.91 117.38 115.12 1ssm n GLN 119 Ca 0.08 -2.04 -0.20 0.00 -1.94 0.00 0.00 57.00 52.91 1ssm n GLN 119 Cb 0.25 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 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 1.16 -5.65 -3.98 1.08 5.15 -0.62 -4.92 115.26 107.47 1ssm n ASN 120 Ca 0.19 0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.82 1ssm n ASN 120 Cb 0.49 -4.72 -0.04 0.00 -0.53 0.00 0.00 39.78 34.98 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 -2.97 3.29 0.09 1.20 1.74 0.97 -4.86 116.66 116.13 1ssm n ARG 121 Ca -0.23 -4.54 -0.14 0.00 -0.77 0.00 0.00 57.85 52.17 1ssm n ARG 121 Cb 0.68 -2.43 -0.12 0.00 -1.02 0.00 0.00 32.46 29.56 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 5.58 0.24 -0.77 5.56 1.57 -1.89 -2.37 116.57 124.48 1ssm h LYS 122 Ca 0.18 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1ssm h LYS 122 Cb 0.73 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1ssm h LYS 122 CO 1.02 1.17 0.42 0.66 -0.57 0.00 0.00 179.45 182.15 1ssm h SER 123 N 0.07 0.96 -0.19 0.86 4.64 -1.96 0.20 113.55 118.13 1ssm h SER 123 Ca -0.11 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 1ssm h SER 123 Cb 1.89 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1ssm h SER 123 CO 0.19 0.77 -0.16 0.25 -0.87 0.00 0.00 176.83 177.01 1ssm h LEU 124 N 1.08 0.48 -0.97 5.97 5.85 -1.96 -1.50 115.31 124.26 1ssm h LEU 124 Ca 0.27 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ssm h LEU 124 Cb 0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1ssm h LEU 124 CO -0.04 0.84 0.57 0.00 -0.34 0.00 0.00 178.44 179.47 1ssm h ALA 125 N 0.65 1.23 -0.32 1.25 0.00 -1.20 -1.05 119.26 119.82 1ssm h ALA 125 Ca 0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ssm h ALA 125 Cb 0.69 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ssm h ALA 125 CO 0.04 0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 179.70 1ssm h LEU 126 N 1.30 0.59 0.06 0.00 3.38 -0.39 0.12 115.31 120.38 1ssm h LEU 126 Ca 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ssm h LEU 126 Cb -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1ssm h LEU 126 CO -0.06 0.79 -0.03 0.22 0.09 0.00 0.00 178.44 179.44 1ssm h TYR 127 N 0.54 -0.08 -0.53 1.13 3.20 -0.85 -2.56 116.97 117.82 1ssm h TYR 127 Ca 0.09 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1ssm h TYR 127 Cb 0.62 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1ssm h TYR 127 CO 0.02 0.13 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.52 1ssm h LEU 128 N -0.28 0.96 -0.49 2.82 3.38 -1.05 -1.74 115.31 118.91 1ssm h LEU 128 Ca -0.01 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1ssm h LEU 128 Cb 0.25 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1ssm h LEU 128 CO 0.01 1.07 -0.13 -0.61 0.09 0.00 0.00 178.44 178.87 1ssm h GLN 129 N 0.87 -0.01 0.00 1.13 4.15 -0.65 -0.13 115.11 120.47 1ssm h GLN 129 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1ssm h GLN 129 Cb 0.63 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 1ssm h GLN 129 CO 0.04 -0.00 -0.08 -0.91 -1.93 0.00 0.00 178.83 175.95 1ssm h ASN 130 N -0.01 0.00 0.29 -0.69 2.35 -1.31 -2.47 115.58 113.74 1ssm h ASN 130 Ca 0.23 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.75 1ssm h ASN 130 Cb 0.36 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.74 1ssm h ASN 130 CO -0.51 0.08 -0.96 -0.61 -1.65 0.00 0.00 177.43 173.78 1ssm h GLN 131 N 0.00 0.45 -0.61 0.81 5.75 -0.27 -1.74 115.11 119.50 1ssm h GLN 131 Ca -0.00 -0.49 0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1ssm h GLN 131 Cb 0.89 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 1ssm h GLN 131 CO 0.01 1.14 0.40 0.82 -2.65 0.00 0.00 178.83 178.55 1ssm h ILE 132 N 0.25 1.16 -0.39 2.39 2.04 -0.93 0.88 117.51 122.90 1ssm h ILE 132 Ca -0.09 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 1ssm h ILE 132 Cb 1.59 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1ssm h ILE 132 CO 0.17 0.15 -0.16 -1.28 0.00 0.00 0.00 178.15 177.03 1ssm h SER 133 N 0.82 0.83 -0.15 1.72 0.87 -1.15 0.54 113.55 117.04 1ssm h SER 133 Ca 0.22 -0.39 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1ssm h SER 133 Cb -0.09 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.64 1ssm h SER 133 CO -0.05 1.03 -0.08 0.58 -0.53 0.00 0.00 176.83 177.78 1ssm h VAL 134 N 0.61 1.32 -0.11 2.23 2.07 -0.24 -0.76 116.25 121.38 1ssm h VAL 134 Ca 0.09 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1ssm h VAL 134 Cb 0.71 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ssm h VAL 134 CO 0.05 0.33 -0.13 0.00 0.02 0.00 0.00 177.57 177.85 1ssm h ALA 135 N 0.66 0.17 -0.03 1.67 0.00 0.79 -3.37 119.26 119.14 1ssm h ALA 135 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ssm h ALA 135 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ssm h ALA 135 CO 0.02 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.50 1ssm n PHE 136 N -4.60 0.04 -2.70 0.00 0.99 0.17 -4.99 117.46 106.36 1ssm n PHE 136 Ca -0.07 -0.07 -0.18 0.00 -0.00 0.00 0.00 57.45 57.14 1ssm n PHE 136 Cb 0.35 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.84 1ssm n PHE 136 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ssm n ASP 137 N 0.34 -5.18 -4.05 4.37 4.64 -0.29 -4.61 116.55 111.77 1ssm n ASP 137 Ca 0.04 -0.17 -0.28 0.00 -1.38 0.00 0.00 54.79 53.01 1ssm n ASP 137 Cb 0.19 -4.10 -0.17 0.00 -1.04 0.00 0.00 41.12 36.01 1ssm n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1ssm s VAL 138 N -2.99 1.42 -0.35 5.18 1.01 -1.24 -1.57 120.40 121.86 1ssm s VAL 138 Ca 0.17 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1ssm s VAL 138 Cb -0.08 -1.30 0.10 0.00 0.00 0.00 0.00 36.38 35.10 1ssm s VAL 138 CO 0.21 0.42 0.06 -0.62 0.00 0.00 0.00 175.10 175.18 1ssm s ASP 139 N 0.93 4.82 -0.22 3.32 3.68 0.23 -2.71 116.67 126.72 1ssm s ASP 139 Ca -0.08 -2.11 -0.02 0.00 2.13 0.00 0.00 52.55 52.47 1ssm s ASP 139 Cb -0.15 -1.65 0.01 0.00 -1.45 0.00 0.00 42.92 39.67 1ssm s ASP 139 CO -0.00 -0.39 -0.08 -0.63 0.13 0.00 0.00 175.17 174.20 1ssm s ILE 140 N 0.94 2.97 0.22 4.11 1.01 -1.26 0.16 121.20 129.35 1ssm s ILE 140 Ca 0.10 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 1ssm s ILE 140 Cb -0.20 -2.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.80 1ssm s ILE 140 CO -0.07 0.39 1.48 -2.28 0.00 0.00 0.00 174.94 174.46 1ssm s HIS 141 N 1.40 3.03 0.57 3.97 5.65 -0.80 -4.87 115.29 124.25 1ssm s HIS 141 Ca 0.04 0.89 0.30 0.00 0.25 0.00 0.00 55.06 56.54 1ssm s HIS 141 Cb -0.15 -3.86 1.46 0.00 -1.18 0.00 0.00 32.58 28.86 1ssm s HIS 141 CO -0.06 -2.92 1.88 -1.35 -0.65 0.00 0.00 174.74 171.64 1ssm h PRO 142 N 5.66 0.00 0.00 2.88 0.11 -1.90 -1.38 132.00 137.37 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 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ssm h PRO 142 CO 0.82 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.53 1ssm n ALA 143 N -2.50 2.49 -1.47 -0.75 0.00 -1.26 -4.11 120.51 112.91 1ssm n ALA 143 Ca 0.13 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ssm n ALA 143 Cb 0.81 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.57 0.07 -3.53 0.00 0.00 -0.52 -4.80 120.51 110.16 1ssm n ALA 144 Ca 0.06 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 1ssm n ALA 144 Cb 0.36 -2.15 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 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 -3.22 2.52 -0.07 0.00 1.02 -0.39 -5.00 119.74 114.60 1ssm s LYS 145 Ca 0.76 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1ssm s LYS 145 Cb -0.37 -3.24 -0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1ssm s LYS 145 CO 0.48 -0.61 -0.21 0.42 -0.92 0.00 0.00 175.35 174.51 1ssm s ILE 146 N 1.30 1.75 0.00 2.17 1.01 -1.26 -0.70 121.20 125.47 1ssm s ILE 146 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1ssm s ILE 146 Cb -0.19 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1ssm s ILE 146 CO -0.00 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1ssm n GLY 147 N 3.34 1.01 3.55 6.18 0.00 -0.26 -5.00 105.19 114.01 1ssm n GLY 147 Ca -0.19 -1.53 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 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 0.32 2.24 -0.36 1.61 -3.43 -1.26 -4.71 115.29 109.69 1ssm s HIS 148 Ca 0.00 -0.82 -0.00 0.00 -0.80 0.00 0.00 55.06 53.44 1ssm s HIS 148 Cb 0.00 -1.55 0.00 0.00 -1.43 0.00 0.00 32.58 29.60 1ssm s HIS 148 CO 0.00 0.23 0.02 0.41 -2.00 0.00 0.00 174.74 173.41 1ssm n GLY 149 N -0.86 0.23 0.00 -1.38 0.00 -1.26 -1.53 105.19 100.39 1ssm n GLY 149 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.91 0.00 -2.70 -0.61 2.08 -1.26 -3.30 119.36 109.65 1ssm n ILE 150 Ca -0.05 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.25 1ssm n ILE 150 Cb 0.54 -1.66 0.03 0.00 -0.75 0.00 0.00 39.64 37.79 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 0.02 -0.33 -0.04 1.39 2.99 -1.26 -4.68 117.98 116.07 1ssm s PHE 152 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 56.93 56.57 1ssm s PHE 152 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 43.02 43.04 1ssm s PHE 152 CO 0.00 -0.25 1.42 0.34 -0.00 0.00 0.00 175.22 176.73 1ssm s ASP 153 N 1.27 6.84 0.00 1.36 -1.08 -0.51 -3.68 116.67 120.87 1ssm s ASP 153 Ca 0.21 2.05 0.00 0.00 -0.52 0.00 0.00 52.55 54.29 1ssm s ASP 153 Cb 0.10 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1ssm s ASP 153 CO -0.12 -0.76 0.00 1.41 0.52 0.00 0.00 175.17 176.22 1ssm n HIS 154 N 5.95 0.00 0.00 -5.34 8.25 -1.26 -3.06 115.22 119.76 1ssm n HIS 154 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1ssm n HIS 154 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.59 -1.41 0.00 -1.24 -4.68 120.51 111.59 1ssm n ALA 155 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.91 1ssm n ALA 155 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.64 0.02 -1.00 0.00 -1.04 -1.26 -2.05 114.28 108.31 1ssm n THR 156 Ca 0.00 -0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ssm n THR 156 Cb 0.00 -0.77 -0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 2.55 0.49 3.72 3.41 0.00 -0.61 0.31 105.19 115.06 1ssm n GLY 157 Ca 0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.99 4.63 -0.05 -0.61 1.01 -0.87 -4.08 121.20 119.25 1ssm s ILE 158 Ca 0.00 2.02 0.03 0.00 0.00 0.00 0.00 60.65 62.70 1ssm s ILE 158 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1ssm s ILE 158 CO 0.00 0.23 -0.14 -0.69 0.00 0.00 0.00 174.94 174.34 1ssm s VAL 159 N 0.53 1.23 -0.10 2.92 1.01 -1.02 -0.60 120.40 124.36 1ssm s VAL 159 Ca 0.50 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1ssm s VAL 159 Cb -0.23 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1ssm s VAL 159 CO 0.29 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.97 1ssm s VAL 160 N 0.32 1.09 0.71 2.92 1.01 0.12 -1.49 120.40 125.08 1ssm s VAL 160 Ca -0.08 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1ssm s VAL 160 Cb -0.13 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1ssm s VAL 160 CO 0.03 0.37 1.13 -0.83 0.00 0.00 0.00 175.10 175.80 1ssm s GLY 161 N 1.33 2.11 0.28 4.51 0.00 0.29 -1.90 107.32 113.95 1ssm s GLY 161 Ca -0.02 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.31 1ssm s GLY 161 CO -0.04 0.97 1.69 -2.09 0.00 0.00 0.00 173.10 173.62 1ssm h GLU 162 N -0.33 0.33 -0.62 2.90 4.81 -1.88 -1.99 114.58 117.81 1ssm h GLU 162 Ca -0.46 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1ssm h GLU 162 Cb 1.26 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 1ssm h GLU 162 CO 0.52 0.22 0.10 0.25 -0.73 0.00 0.00 179.01 179.37 1ssm n THR 163 N -5.10 2.81 -2.37 0.32 -2.24 -1.26 -2.57 114.28 103.87 1ssm n THR 163 Ca 0.20 -1.56 -0.33 0.00 -2.27 0.00 0.00 64.05 60.09 1ssm n THR 163 Cb 0.60 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1ssm n THR 163 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ssm s SER 164 N -0.99 6.35 -0.04 3.42 0.01 -0.75 -4.48 113.70 117.21 1ssm s SER 164 Ca 0.54 1.73 0.02 0.00 1.31 0.00 0.00 55.95 59.55 1ssm s SER 164 Cb 0.42 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 64.13 1ssm s SER 164 CO 0.14 -0.78 -0.08 -0.69 0.41 0.00 0.00 173.24 172.24 1ssm s VAL 165 N -2.39 0.79 -0.30 3.43 1.01 -0.56 -1.26 120.40 121.10 1ssm s VAL 165 Ca 0.62 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1ssm s VAL 165 Cb -0.13 -0.73 0.09 0.00 0.00 0.00 0.00 36.38 35.61 1ssm s VAL 165 CO 0.28 0.26 0.05 -0.63 0.00 0.00 0.00 175.10 175.07 1ssm s ILE 166 N 0.54 1.54 0.81 2.22 1.01 0.12 0.21 121.20 127.64 1ssm s ILE 166 Ca -0.09 -1.71 -0.14 0.00 0.00 0.00 0.00 60.65 58.71 1ssm s ILE 166 Cb -0.12 -2.08 0.20 0.00 0.01 0.00 0.00 42.46 40.47 1ssm s ILE 166 CO 0.01 -0.52 0.84 -0.62 0.00 0.00 0.00 174.94 174.65 1ssm n GLU 167 N 4.59 -1.96 -1.71 2.79 1.02 -0.22 -1.11 120.64 124.03 1ssm n GLU 167 Ca -0.02 -1.32 -0.38 0.00 -0.02 0.00 0.00 57.16 55.42 1ssm n GLU 167 Cb 0.42 -1.10 0.05 0.00 -0.02 0.00 0.00 31.44 30.80 1ssm n GLU 167 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ssm n ASN 168 N -4.08 2.18 -1.93 1.62 3.02 -1.26 -3.83 115.26 110.98 1ssm n ASN 168 Ca 0.11 0.91 -0.20 0.00 -0.03 0.00 0.00 54.58 55.37 1ssm n ASN 168 Cb 0.42 -1.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.01 1ssm n ASN 168 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ssm n ASP 169 N -1.16 -5.58 -4.83 6.41 8.00 -0.58 -1.92 116.55 116.88 1ssm n ASP 169 Ca 0.12 0.23 -0.34 0.00 0.71 0.00 0.00 54.79 55.52 1ssm n ASP 169 Cb 0.46 -4.72 -0.06 0.00 -0.02 0.00 0.00 41.12 36.77 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 -2.88 4.59 -0.10 2.53 1.01 -1.25 -3.82 120.40 120.48 1ssm s VAL 170 Ca 0.00 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1ssm s VAL 170 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1ssm s VAL 170 CO 0.00 -0.10 -0.14 -0.44 0.00 0.00 0.00 175.10 174.42 1ssm s SER 171 N -2.09 2.29 -0.05 3.32 0.01 -0.10 -4.47 113.70 112.61 1ssm s SER 171 Ca 0.53 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.44 1ssm s SER 171 Cb -0.12 -1.02 -0.00 0.00 0.21 0.00 0.00 66.02 65.08 1ssm s SER 171 CO 0.18 0.02 -0.20 -0.63 0.41 0.00 0.00 173.24 173.02 1ssm s ILE 172 N 0.91 1.65 0.59 1.44 1.01 -1.26 -0.33 121.20 125.22 1ssm s ILE 172 Ca -0.09 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 59.83 1ssm s ILE 172 Cb -0.15 -1.42 0.10 0.00 0.01 0.00 0.00 42.46 41.00 1ssm s ILE 172 CO -0.00 0.47 0.80 -0.76 0.00 0.00 0.00 174.94 175.45 1ssm s LEU 173 N 0.04 3.00 0.53 2.97 1.43 -0.90 -1.43 118.68 124.33 1ssm s LEU 173 Ca -0.06 -0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 51.91 1ssm s LEU 173 Cb -0.13 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 1ssm s LEU 173 CO 0.03 -1.41 0.91 0.00 0.23 0.00 0.00 176.35 176.10 1ssm n GLN 174 N -2.28 0.99 -0.95 1.70 0.00 -1.17 -3.32 117.38 112.35 1ssm n GLN 174 Ca 0.16 0.37 0.00 0.00 0.00 0.00 0.00 57.00 57.53 1ssm n GLN 174 Cb 0.62 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 28.81 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 1.33 0.20 3.82 2.61 0.00 0.15 -0.55 105.19 112.76 1ssm n GLY 175 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.46 4.75 -0.08 1.61 -7.23 -1.21 -3.80 120.40 112.99 1ssm s VAL 176 Ca 0.00 1.11 0.02 0.00 -1.81 0.00 0.00 61.98 61.30 1ssm s VAL 176 Cb 0.00 -3.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.07 1ssm s VAL 176 CO 0.00 0.42 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.17 1ssm s THR 177 N -1.27 3.02 -0.66 5.32 2.01 -0.33 -2.45 115.64 121.28 1ssm s THR 177 Ca 0.33 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 1ssm s THR 177 Cb -0.18 -2.21 0.17 0.00 0.01 0.00 0.00 72.50 70.29 1ssm s THR 177 CO 0.19 0.57 0.46 -0.76 -0.69 0.00 0.00 174.62 174.39 1ssm s LEU 178 N -0.34 5.05 0.00 4.42 1.43 -0.55 -0.12 118.68 128.56 1ssm s LEU 178 Ca 0.03 -3.13 0.00 0.00 -1.03 0.00 0.00 54.13 50.00 1ssm s LEU 178 Cb -0.13 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1ssm s LEU 178 CO 0.02 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1ssm n GLY 179 N 3.06 6.84 3.77 -3.19 0.00 0.09 -0.55 105.19 115.22 1ssm n GLY 179 Ca 0.11 -1.86 -0.25 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 0.00 2.34 -0.00 -0.02 0.00 -1.25 -0.15 107.32 108.23 1ssm s GLY 180 Ca 0.00 -1.96 0.21 0.00 0.00 0.00 0.00 44.72 42.97 1ssm s GLY 180 CO 0.00 -1.90 0.91 -1.30 0.00 0.00 0.00 173.10 170.81 1ssm n THR 181 N -1.32 0.00 0.00 0.90 -2.24 -1.26 -4.41 114.28 105.94 1ssm n THR 181 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ssm n THR 181 Cb 0.64 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 1.49 0.13 3.66 3.38 0.00 -1.26 -5.07 105.19 107.52 1ssm n GLY 182 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ssm n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssm s LYS 183 N 0.00 4.19 0.45 1.61 3.01 -1.26 -4.88 119.74 122.86 1ssm s LYS 183 Ca 0.00 2.19 0.25 0.00 -1.01 0.00 0.00 55.97 57.40 1ssm s LYS 183 Cb 0.00 -3.93 0.92 0.00 -1.01 0.00 0.00 37.83 33.81 1ssm s LYS 183 CO 0.00 -0.82 1.82 0.93 0.51 0.00 0.00 175.35 177.79 1ssm h GLU 184 N 9.33 0.00 -4.30 1.68 4.39 -2.00 -3.46 114.58 120.22 1ssm h GLU 184 Ca -0.40 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.12 1ssm h GLU 184 Cb 1.18 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.70 1ssm h GLU 184 CO 0.95 0.19 -0.47 -1.54 -1.16 0.00 0.00 179.01 176.98 1ssm s SER 185 N -6.13 0.09 0.00 1.42 1.04 -1.26 -5.12 113.70 103.73 1ssm s SER 185 Ca 0.01 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1ssm s SER 185 Cb 0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1ssm s SER 185 CO 0.63 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1ssm n GLY 186 N -0.29 -2.55 3.65 7.32 0.00 -1.26 -4.78 105.19 107.27 1ssm n GLY 186 Ca 0.00 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 1ssm n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssm n ASP 187 N -0.11 3.92 -0.05 1.61 -0.08 -1.26 -4.70 116.55 115.88 1ssm n ASP 187 Ca 0.00 0.73 0.00 0.00 -1.51 0.00 0.00 54.79 54.01 1ssm n ASP 187 Cb 0.00 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 41.93 1ssm n ASP 187 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ssm n ARG 188 N 7.81 0.00 -4.48 -0.67 1.85 -1.26 -4.67 116.66 115.24 1ssm n ARG 188 Ca 0.23 -0.30 -0.24 0.00 -1.00 0.00 0.00 57.85 56.54 1ssm n ARG 188 Cb 0.41 -0.27 -0.10 0.00 -1.05 0.00 0.00 32.46 31.45 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 0.00 2.28 0.51 2.89 3.76 -1.26 -3.00 115.29 120.46 1ssm s HIS 189 Ca 0.00 -0.40 -0.23 0.00 -0.15 0.00 0.00 55.06 54.28 1ssm s HIS 189 Cb 0.00 -1.08 -0.07 0.00 1.11 0.00 0.00 32.58 32.54 1ssm s HIS 189 CO 0.00 0.65 1.31 -2.30 -0.85 0.00 0.00 174.74 173.56 1ssm n PRO 190 N -0.65 1.76 -3.75 8.40 -0.02 -0.27 -3.91 135.00 136.56 1ssm n PRO 190 Ca -0.05 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 1ssm n PRO 190 Cb 0.61 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 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 -2.64 2.14 -0.41 -0.52 3.01 -0.54 -1.50 119.74 119.28 1ssm s LYS 191 Ca 0.68 -1.97 -0.23 0.00 -1.01 0.00 0.00 55.97 53.44 1ssm s LYS 191 Cb -0.44 -3.63 0.02 0.00 -1.01 0.00 0.00 37.83 32.76 1ssm s LYS 191 CO 0.52 -1.10 0.79 0.08 0.51 0.00 0.00 175.35 176.15 1ssm s VAL 192 N 0.90 4.68 0.87 3.17 1.01 0.13 -1.39 120.40 129.77 1ssm s VAL 192 Ca 0.10 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.57 1ssm s VAL 192 Cb -0.22 -4.28 0.12 0.00 0.00 0.00 0.00 36.38 32.00 1ssm s VAL 192 CO -0.04 -0.60 1.23 -0.13 0.00 0.00 0.00 175.10 175.56 1ssm s ARG 193 N 3.23 1.47 0.43 2.72 1.81 0.14 -1.06 118.95 127.69 1ssm s ARG 193 Ca 0.31 -0.08 -0.25 0.00 -1.72 0.00 0.00 55.73 53.98 1ssm s ARG 193 Cb -0.12 -1.91 -0.10 0.00 -0.45 0.00 0.00 34.95 32.37 1ssm s ARG 193 CO 0.20 -1.90 1.20 -0.85 -0.68 0.00 0.00 175.30 173.27 1ssm n GLU 194 N -3.49 1.73 -0.57 3.54 0.28 -1.26 -2.81 120.64 118.07 1ssm n GLU 194 Ca 0.11 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 1ssm n GLU 194 Cb 0.60 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.18 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 0.92 1.40 0.00 -1.84 0.00 -0.81 0.09 105.19 104.95 1ssm n GLY 195 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.43 1.61 0.31 -1.12 -4.23 118.33 109.47 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 -0.30 -0.04 0.00 -0.91 0.00 0.00 33.84 32.59 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 -0.57 -0.39 0.89 2.52 1.01 0.55 -0.92 121.20 124.28 1ssm s ILE 198 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1ssm s ILE 198 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 42.46 41.59 1ssm s ILE 198 CO 0.00 0.00 1.11 -0.83 0.00 0.00 0.00 174.94 175.22 1ssm s GLY 199 N 2.23 1.60 0.08 6.18 0.00 -0.20 -2.11 107.32 115.10 1ssm s GLY 199 Ca -0.03 -0.32 -0.36 0.00 0.00 0.00 0.00 44.72 44.00 1ssm s GLY 199 CO -0.17 0.19 1.47 0.00 0.00 0.00 0.00 173.10 174.59 1ssm n ALA 200 N -3.74 -0.10 -0.73 3.20 0.00 -1.26 -2.81 120.51 115.06 1ssm n ALA 200 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1ssm n ALA 200 Cb 0.57 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 3.00 1.06 3.76 0.00 0.00 0.29 -0.38 105.19 112.91 1ssm n GLY 201 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.21 2.98 -0.20 4.61 0.00 -1.12 -4.22 121.76 120.59 1ssm s ALA 202 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1ssm s ALA 202 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1ssm s ALA 202 CO 0.00 -1.13 -0.16 0.15 0.00 0.00 0.00 175.76 174.62 1ssm s LYS 203 N -2.70 2.94 -0.32 0.00 -0.14 0.10 -1.19 119.74 118.44 1ssm s LYS 203 Ca 0.66 -0.87 -0.04 0.00 -1.36 0.00 0.00 55.97 54.36 1ssm s LYS 203 Cb -0.38 -2.69 0.05 0.00 -1.68 0.00 0.00 37.83 33.12 1ssm s LYS 203 CO 0.47 -0.26 0.04 0.42 -0.76 0.00 0.00 175.35 175.26 1ssm s ILE 204 N 1.30 3.30 -0.10 2.17 1.01 0.83 -1.19 121.20 128.51 1ssm s ILE 204 Ca 0.03 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1ssm s ILE 204 Cb -0.14 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1ssm s ILE 204 CO -0.10 -0.14 -0.10 -0.76 0.00 0.00 0.00 174.94 173.83 1ssm s LEU 205 N 1.31 2.91 0.00 2.97 1.43 -0.74 -0.73 118.68 125.83 1ssm s LEU 205 Ca -0.04 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1ssm s LEU 205 Cb -0.20 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1ssm s LEU 205 CO 0.00 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1ssm n GLY 206 N 2.94 2.47 3.24 -3.19 0.00 0.79 -4.55 105.19 106.87 1ssm n GLY 206 Ca -0.18 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1ssm n GLY 206 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ssm n ASN 207 N 0.00 4.29 -4.36 1.61 5.15 -1.16 -1.12 115.26 119.68 1ssm n ASN 207 Ca 0.00 -2.86 -0.22 0.00 -0.60 0.00 0.00 54.58 50.89 1ssm n ASN 207 Cb 0.00 -1.68 -0.11 0.00 -0.53 0.00 0.00 39.78 37.46 1ssm n ASN 207 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ssm s ILE 208 N 4.32 1.93 -0.05 -1.44 -4.36 -1.26 -4.93 121.20 115.42 1ssm s ILE 208 Ca 0.52 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.66 1ssm s ILE 208 Cb 0.08 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 1ssm s ILE 208 CO 0.02 -0.33 0.76 -1.61 0.24 0.00 0.00 174.94 174.03 1ssm s GLU 209 N -2.93 4.47 -0.43 0.37 0.41 -1.26 -1.47 118.70 117.86 1ssm s GLU 209 Ca 0.18 1.00 0.01 0.00 -0.41 0.00 0.00 54.97 55.76 1ssm s GLU 209 Cb -0.05 -3.45 0.12 0.00 -1.78 0.00 0.00 34.13 28.96 1ssm s GLU 209 CO 0.08 0.04 0.19 0.08 -0.49 0.00 0.00 175.26 175.16 1ssm s VAL 210 N 0.83 2.84 0.38 2.63 1.01 -0.48 0.04 120.40 127.64 1ssm s VAL 210 Ca 0.41 -2.52 -0.24 0.00 0.00 0.00 0.00 61.98 59.63 1ssm s VAL 210 Cb -0.18 -2.98 -0.13 0.00 0.00 0.00 0.00 36.38 33.08 1ssm s VAL 210 CO 0.20 -0.70 0.70 0.61 0.00 0.00 0.00 175.10 175.91 1ssm n GLY 211 N 4.05 -1.09 3.61 4.51 0.00 0.89 -0.69 105.19 116.47 1ssm n GLY 211 Ca 0.03 0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1ssm n GLY 211 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ssm n LYS 212 N 0.56 1.48 -1.16 1.61 2.85 -1.26 -1.36 118.16 120.89 1ssm n LYS 212 Ca 0.11 0.52 -0.05 0.00 -1.05 0.00 0.00 58.31 57.84 1ssm n LYS 212 Cb 0.37 -1.94 -0.02 0.00 -0.65 0.00 0.00 35.03 32.78 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 0.40 0.00 -1.24 5.58 4.02 0.11 -1.50 117.16 124.54 1ssm n TYR 213 Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.68 1ssm n TYR 213 Cb 0.32 -2.01 0.11 0.00 -0.02 0.00 0.00 39.34 37.75 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 -1.67 1.91 -0.03 -0.72 0.00 -0.46 -4.18 121.76 116.62 1ssm s ALA 214 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ssm s ALA 214 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1ssm s ALA 214 CO 0.00 -2.05 -0.03 0.15 0.00 0.00 0.00 175.76 173.83 1ssm s LYS 215 N -4.92 0.50 -0.17 0.00 1.02 -0.74 -4.38 119.74 111.06 1ssm s LYS 215 Ca 0.62 -0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.54 1ssm s LYS 215 Cb -0.17 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.56 1ssm s LYS 215 CO 0.56 -0.05 -0.10 0.42 -0.92 0.00 0.00 175.35 175.27 1ssm s ILE 216 N 0.66 3.16 0.44 2.17 -1.09 -1.26 -0.91 121.20 124.36 1ssm s ILE 216 Ca -0.07 -0.60 -0.22 0.00 -2.23 0.00 0.00 60.65 57.53 1ssm s ILE 216 Cb -0.11 -2.38 -0.09 0.00 -1.58 0.00 0.00 42.46 38.31 1ssm s ILE 216 CO -0.01 0.49 1.02 -0.83 -1.23 0.00 0.00 174.94 174.38 1ssm s GLY 217 N 0.84 2.57 0.39 6.18 0.00 -0.07 -1.03 107.32 116.19 1ssm s GLY 217 Ca -0.03 0.59 -0.22 0.00 0.00 0.00 0.00 44.72 45.05 1ssm s GLY 217 CO 0.01 0.94 0.34 0.00 0.00 0.00 0.00 173.10 174.39 1ssm n ALA 218 N -0.55 -2.31 -0.74 3.20 0.00 -1.26 -2.22 120.51 116.62 1ssm n ALA 218 Ca 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.67 1ssm n ALA 218 Cb 0.52 -1.62 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.83 -4.12 -4.74 0.00 4.13 0.49 -4.78 115.26 108.07 1ssm n ASN 219 Ca 0.12 0.03 -0.33 0.00 1.68 0.00 0.00 54.58 56.08 1ssm n ASN 219 Cb 0.38 -2.64 0.08 0.00 -1.54 0.00 0.00 39.78 36.07 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 -1.44 4.43 -0.30 6.41 0.01 -0.94 -4.76 113.70 117.11 1ssm s SER 220 Ca 0.00 2.13 0.01 0.00 1.31 0.00 0.00 55.95 59.39 1ssm s SER 220 Cb 0.00 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.76 1ssm s SER 220 CO 0.00 -2.09 0.06 -0.69 0.41 0.00 0.00 173.24 170.93 1ssm s VAL 221 N -2.32 1.31 -0.30 3.43 1.01 -0.58 0.03 120.40 122.98 1ssm s VAL 221 Ca 0.69 -1.56 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1ssm s VAL 221 Cb -0.23 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1ssm s VAL 221 CO 0.47 -0.54 0.44 -0.69 0.00 0.00 0.00 175.10 174.78 1ssm s VAL 222 N 1.42 5.11 0.00 2.92 1.01 -0.34 -0.30 120.40 130.23 1ssm s VAL 222 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1ssm s VAL 222 Cb -0.18 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1ssm s VAL 222 CO -0.17 0.01 0.17 0.18 0.00 0.00 0.00 175.10 175.30 1ssm n LEU 223 N 5.49 0.35 -4.18 3.92 4.77 -1.26 -1.79 117.00 124.30 1ssm n LEU 223 Ca -0.07 -0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 55.17 1ssm n LEU 223 Cb 0.50 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1ssm n LEU 223 CO 0.40 0.09 -0.46 0.20 -1.33 0.00 0.00 177.39 176.29 1ssm s ASN 224 N -0.42 1.75 0.27 -1.43 0.01 -1.26 -4.98 114.94 108.88 1ssm s ASN 224 Ca 0.00 -0.60 -0.27 0.00 -0.71 0.00 0.00 52.86 51.28 1ssm s ASN 224 Cb 0.00 -0.06 -0.15 0.00 0.41 0.00 0.00 41.25 41.45 1ssm s ASN 224 CO 0.00 -0.05 0.77 -2.65 -1.51 0.00 0.00 177.10 173.66 1ssm n PRO 225 N 1.34 0.75 -4.17 -0.60 -0.02 -1.26 -4.91 135.00 126.13 1ssm n PRO 225 Ca -0.21 0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 61.20 1ssm n PRO 225 Cb 0.54 -1.49 -0.15 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.09 2.78 0.70 -1.45 1.01 0.11 -4.98 120.40 117.47 1ssm s VAL 226 Ca 0.61 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1ssm s VAL 226 Cb -0.77 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.41 1ssm s VAL 226 CO 0.58 0.49 1.18 -2.65 0.00 0.00 0.00 175.10 174.70 1ssm n PRO 227 N 4.49 0.75 -1.68 2.72 -0.02 -1.26 -0.08 135.00 139.92 1ssm n PRO 227 Ca -0.19 0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 1ssm n PRO 227 Cb 0.51 -2.42 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1ssm n PRO 227 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ssm n GLU 228 N -2.18 1.50 -0.55 -0.52 1.02 -1.26 -1.77 120.64 116.88 1ssm n GLU 228 Ca 0.15 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1ssm n GLU 228 Cb 0.49 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 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 -0.89 0.00 -2.30 -0.32 4.02 -0.56 -4.90 117.16 112.21 1ssm n TYR 229 Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.68 1ssm n TYR 229 Cb 0.43 -1.41 -0.02 0.00 -0.02 0.00 0.00 39.34 38.32 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 -0.72 3.13 -0.11 -0.72 0.00 -0.73 -4.79 121.76 117.82 1ssm s ALA 230 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1ssm s ALA 230 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1ssm s ALA 230 CO 0.00 -0.36 -0.07 0.99 0.00 0.00 0.00 175.76 176.33 1ssm s THR 231 N -2.77 3.67 0.06 0.00 2.01 -1.26 -1.79 115.64 115.57 1ssm s THR 231 Ca 0.56 -0.46 0.09 0.00 0.31 0.00 0.00 61.69 62.19 1ssm s THR 231 Cb -0.10 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1ssm s THR 231 CO 0.39 0.55 -0.25 0.00 -0.69 0.00 0.00 174.62 174.63 1ssm s ALA 232 N -0.25 2.12 -0.27 7.40 0.00 -0.09 0.15 121.76 130.81 1ssm s ALA 232 Ca 0.03 -1.25 -0.25 0.00 0.00 0.00 0.00 51.96 50.49 1ssm s ALA 232 Cb -0.13 -0.41 0.12 0.00 0.00 0.00 0.00 23.12 22.70 1ssm s ALA 232 CO 0.03 0.49 1.01 0.00 0.00 0.00 0.00 175.76 177.28 1ssm s ALA 233 N -0.87 -1.96 0.00 0.00 0.00 -1.04 -0.89 121.76 117.00 1ssm s ALA 233 Ca 0.11 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1ssm s ALA 233 Cb -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1ssm s ALA 233 CO 0.03 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1ssm n GLY 234 N 2.11 2.86 2.81 0.00 0.00 -1.26 -2.18 105.19 109.52 1ssm n GLY 234 Ca -0.12 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.98 1.67 0.77 1.61 1.01 -1.26 -1.17 120.40 121.05 1ssm s VAL 235 Ca 0.00 -2.43 -0.12 0.00 0.00 0.00 0.00 61.98 59.43 1ssm s VAL 235 Cb 0.00 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1ssm s VAL 235 CO 0.00 -0.78 1.11 -2.16 0.00 0.00 0.00 175.10 173.27 1ssm s PRO 236 N 0.58 2.30 0.43 2.72 0.04 -1.26 -5.01 135.00 134.79 1ssm s PRO 236 Ca 0.15 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.40 1ssm s PRO 236 Cb -0.22 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1ssm s PRO 236 CO -0.06 -1.42 1.11 0.00 0.04 0.00 0.00 177.00 176.66 1ssm s ALA 237 N -3.32 3.04 -0.00 8.56 0.00 0.59 -4.87 121.76 125.75 1ssm s ALA 237 Ca 0.60 0.82 0.06 0.00 0.00 0.00 0.00 51.96 53.44 1ssm s ALA 237 Cb -0.12 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1ssm s ALA 237 CO 0.52 -0.43 -0.18 1.03 0.00 0.00 0.00 175.76 176.70 1ssm s ARG 238 N -2.58 1.42 -0.05 0.00 0.52 -0.93 -4.86 118.95 112.46 1ssm s ARG 238 Ca 0.60 -0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 54.83 1ssm s ARG 238 Cb -0.25 -1.39 -0.09 0.00 0.52 0.00 0.00 34.95 33.74 1ssm s ARG 238 CO 0.31 0.38 2.02 -0.89 0.02 0.00 0.00 175.30 177.14 1ssm n ILE 239 N 2.52 0.63 0.38 1.52 2.08 -1.26 -2.50 119.36 122.73 1ssm n ILE 239 Ca -0.15 -0.20 0.05 0.00 0.56 0.00 0.00 62.75 63.00 1ssm n ILE 239 Cb 0.54 -2.26 0.04 0.00 -0.75 0.00 0.00 39.64 37.21 1ssm n ILE 239 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66