#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrm h ARG 5 N 0.00 0.25 -0.97 1.64 3.08 -2.06 -2.52 114.38 113.80 3jrm h ARG 5 Ca 0.00 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 59.87 3jrm h ARG 5 Cb 0.00 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3jrm h ARG 5 CO 0.00 0.93 0.63 0.00 -1.07 0.00 0.00 179.97 180.46 3jrm h ALA 6 N 0.33 1.44 -0.57 0.04 0.00 -2.05 -2.26 119.26 116.20 3jrm h ALA 6 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3jrm h ALA 6 Cb 1.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3jrm h ALA 6 CO 0.06 0.41 0.35 0.00 0.00 0.00 0.00 179.25 180.08 3jrm h ALA 7 N 1.48 0.73 -0.22 0.00 0.00 -1.96 0.13 119.26 119.41 3jrm h ALA 7 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3jrm h ALA 7 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jrm h ALA 7 CO -0.16 0.09 0.14 -0.07 0.00 0.00 0.00 179.25 179.24 3jrm h LEU 8 N 0.70 0.25 -0.83 0.00 3.38 -0.99 0.18 115.31 118.00 3jrm h LEU 8 Ca 0.22 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3jrm h LEU 8 Cb -0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3jrm h LEU 8 CO -0.09 0.19 0.55 0.40 0.09 0.00 0.00 178.44 179.59 3jrm h ILE 9 N 0.28 1.21 -0.56 1.22 2.04 -1.12 -2.36 117.51 118.22 3jrm h ILE 9 Ca 0.08 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3jrm h ILE 9 Cb -0.02 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 3jrm h ILE 9 CO -0.02 0.20 0.10 -0.61 0.00 0.00 0.00 178.15 177.83 3jrm h GLN 10 N 1.12 0.92 -0.33 2.37 5.75 -0.28 -1.68 115.11 122.97 3jrm h GLN 10 Ca 0.31 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3jrm h GLN 10 Cb -0.12 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 3jrm h GLN 10 CO -0.07 0.88 0.22 -0.91 -2.65 0.00 0.00 178.83 176.29 3jrm h ASN 11 N 0.81 0.39 -0.48 -0.69 2.35 -0.45 0.34 115.58 117.85 3jrm h ASN 11 Ca 0.17 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3jrm h ASN 11 Cb 0.39 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 3jrm h ASN 11 CO 0.01 0.29 0.17 -0.07 -1.65 0.00 0.00 177.43 176.19 3jrm h LEU 12 N 0.45 0.18 -0.23 1.61 3.38 -1.29 -1.82 115.31 117.59 3jrm h LEU 12 Ca 0.12 0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 3jrm h LEU 12 Cb -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3jrm h LEU 12 CO -0.03 0.13 -0.89 0.03 0.09 0.00 0.00 178.44 177.77 3jrm h ARG 13 N 0.35 0.39 -0.51 1.13 3.08 -1.02 -3.10 114.38 114.71 3jrm h ARG 13 Ca 0.23 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3jrm h ARG 13 Cb 0.24 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3jrm h ARG 13 CO -0.23 1.07 0.21 -0.44 -1.07 0.00 0.00 179.97 179.50 3jrm h ASP 14 N 0.23 0.66 0.83 7.04 3.32 -0.12 -2.85 116.42 125.53 3jrm h ASP 14 Ca -0.07 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3jrm h ASP 14 Cb 1.52 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3jrm h ASP 14 CO 0.15 0.59 -0.14 -1.54 -1.72 0.00 0.00 179.24 176.58 3jrm n SER 15 N -4.35 0.15 -3.41 6.45 3.41 -0.70 -4.36 113.62 110.82 3jrm n SER 15 Ca 0.04 0.25 -0.27 0.00 -0.26 0.00 0.00 58.87 58.63 3jrm n SER 15 Cb 0.15 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 3jrm n SER 15 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3jrm s TYR 16 N -2.98 0.87 0.63 7.33 1.51 -1.08 -5.05 117.35 118.58 3jrm s TYR 16 Ca 0.14 -2.01 0.07 0.00 -1.01 0.00 0.00 57.07 54.26 3jrm s TYR 16 Cb 0.19 -0.88 0.11 0.00 -0.11 0.00 0.00 41.96 41.27 3jrm s TYR 16 CO 0.57 -0.84 0.87 0.95 -1.11 0.00 0.00 175.55 175.99 3jrm s THR 17 N 0.48 2.08 0.45 -0.71 -4.23 -1.24 -4.65 115.64 107.82 3jrm s THR 17 Ca 0.27 -0.89 0.32 0.00 -1.18 0.00 0.00 61.69 60.22 3jrm s THR 17 Cb -0.06 -2.19 0.35 0.00 1.34 0.00 0.00 72.50 71.93 3jrm s THR 17 CO -0.12 0.00 2.15 -0.08 -0.54 0.00 0.00 174.62 176.03 3jrm h GLU 18 N -0.06 0.00 -0.11 3.99 4.22 -1.95 -1.89 114.58 118.77 3jrm h GLU 18 Ca -0.31 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.01 3jrm h GLU 18 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3jrm h GLU 18 CO 0.40 0.06 -0.47 1.15 -2.18 0.00 0.00 179.01 177.97 3jrm h THR 19 N 0.00 1.33 -0.43 0.32 2.02 -1.98 -0.54 112.91 113.63 3jrm h THR 19 Ca -0.00 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 3jrm h THR 19 Cb 0.24 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3jrm h THR 19 CO 0.01 0.50 0.22 0.28 0.37 0.00 0.00 175.52 176.89 3jrm h SER 20 N 0.23 0.55 0.48 4.18 0.02 -1.71 0.80 113.55 118.10 3jrm h SER 20 Ca 0.01 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 3jrm h SER 20 Cb 0.91 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3jrm h SER 20 CO 0.07 0.51 -0.68 0.77 -1.14 0.00 0.00 176.83 176.37 3jrm h SER 21 N 0.55 0.21 -0.24 3.07 4.64 -1.51 -2.78 113.55 117.50 3jrm h SER 21 Ca 0.15 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 3jrm h SER 21 Cb 0.10 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3jrm h SER 21 CO -0.02 0.83 -0.26 0.15 -0.87 0.00 0.00 176.83 176.66 3jrm h PHE 22 N 0.12 0.72 -0.70 4.77 3.57 -0.89 -2.32 116.94 122.21 3jrm h PHE 22 Ca -0.02 -0.22 0.15 0.00 3.53 0.00 0.00 57.97 61.42 3jrm h PHE 22 Cb 1.21 -0.15 -0.12 0.00 2.79 0.00 0.00 35.95 39.69 3jrm h PHE 22 CO 0.02 0.93 0.01 0.00 -2.23 0.00 0.00 178.31 177.04 3jrm h ALA 23 N 0.66 0.71 -0.57 2.41 0.00 -0.80 0.92 119.26 122.60 3jrm h ALA 23 Ca 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3jrm h ALA 23 Cb 0.82 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3jrm h ALA 23 CO 0.06 -0.40 0.27 0.28 0.00 0.00 0.00 179.25 179.46 3jrm h VAL 24 N 0.12 1.21 -0.35 0.00 2.07 -1.38 -2.28 116.25 115.63 3jrm h VAL 24 Ca 0.37 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3jrm h VAL 24 Cb 0.63 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3jrm h VAL 24 CO -0.60 0.24 -0.24 0.40 0.02 0.00 0.00 177.57 177.39 3jrm h ILE 25 N 0.77 1.27 -0.29 4.57 1.08 -0.65 -0.40 117.51 123.86 3jrm h ILE 25 Ca 0.19 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.31 3jrm h ILE 25 Cb 0.13 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 3jrm h ILE 25 CO -0.02 0.44 0.15 -0.33 -0.69 0.00 0.00 178.15 177.70 3jrm h GLU 26 N 0.61 0.42 -0.17 2.37 5.08 -0.68 -1.50 114.58 120.70 3jrm h GLU 26 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3jrm h GLU 26 Cb 0.74 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3jrm h GLU 26 CO 0.06 0.38 0.10 1.49 -1.00 0.00 0.00 179.01 180.04 3jrm h GLU 27 N 0.35 0.20 -0.99 2.33 4.57 -1.28 -2.46 114.58 117.31 3jrm h GLU 27 Ca 0.10 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3jrm h GLU 27 Cb 0.09 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.57 3jrm h GLU 27 CO -0.01 0.14 0.64 -1.49 -1.18 0.00 0.00 179.01 177.10 3jrm h TRP 28 N 0.21 1.19 -0.24 0.92 4.06 -0.89 -1.82 115.95 119.38 3jrm h TRP 28 Ca 0.06 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.96 3jrm h TRP 28 Cb -0.01 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 27.74 3jrm h TRP 28 CO -0.08 0.63 -0.22 0.00 -3.56 0.00 0.00 178.44 175.21 3jrm h ALA 29 N 1.44 1.17 -3.00 1.49 0.00 -1.04 -3.08 119.26 116.23 3jrm h ALA 29 Ca 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3jrm h ALA 29 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3jrm h ALA 29 CO -0.16 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3jrm n ALA 30 N -2.48 0.01 -0.17 0.00 0.00 -0.92 -4.71 120.51 112.23 3jrm n ALA 30 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3jrm n ALA 30 Cb 0.38 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.90 3jrm n ALA 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3jrm h GLY 31 N 0.00 0.53 0.87 0.00 0.00 -1.60 -2.98 103.07 99.89 3jrm h GLY 31 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3jrm h GLY 31 CO 0.00 -0.17 0.05 -0.84 0.00 0.00 0.00 176.54 175.58 3jrm h THR 32 N 0.09 1.15 0.00 4.70 2.02 -1.57 -0.81 112.91 118.49 3jrm h THR 32 Ca 0.27 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3jrm h THR 32 Cb 0.43 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3jrm h THR 32 CO -0.48 0.14 -0.22 -0.07 0.37 0.00 0.00 175.52 175.26 3jrm h LEU 33 N 0.05 0.00 -0.16 2.58 3.38 -1.51 -0.51 115.31 119.14 3jrm h LEU 33 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3jrm h LEU 33 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3jrm h LEU 33 CO -0.00 0.22 -0.09 1.56 0.09 0.00 0.00 178.44 180.22 3jrm h GLN 34 N 0.00 0.34 -0.50 1.13 4.20 -1.32 -1.89 115.11 117.06 3jrm h GLN 34 Ca -0.00 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.57 3jrm h GLN 34 Cb 0.40 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 3jrm h GLN 34 CO 0.03 0.67 0.30 1.49 -0.67 0.00 0.00 178.83 180.65 3jrm h GLU 35 N 0.01 0.59 -0.50 1.46 4.57 -0.76 -1.19 114.58 118.76 3jrm h GLU 35 Ca 0.03 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3jrm h GLU 35 Cb 0.58 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3jrm h GLU 35 CO 0.03 0.39 0.20 0.82 -1.18 0.00 0.00 179.01 179.26 3jrm h ILE 36 N 0.61 0.87 -0.59 2.32 2.04 -1.10 -0.61 117.51 121.04 3jrm h ILE 36 Ca 0.20 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3jrm h ILE 36 Cb 0.01 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 3jrm h ILE 36 CO -0.09 0.07 0.27 -0.33 0.00 0.00 0.00 178.15 178.08 3jrm h GLU 37 N 0.39 0.49 -0.52 2.37 4.39 -0.86 -1.07 114.58 119.76 3jrm h GLU 37 Ca 0.23 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 3jrm h GLU 37 Cb 0.22 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3jrm h GLU 37 CO -0.22 0.32 0.19 0.78 -1.16 0.00 0.00 179.01 178.93 3jrm h GLY 38 N 0.50 0.86 0.98 -3.84 0.00 -0.37 -1.89 103.07 99.31 3jrm h GLY 38 Ca 0.28 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.14 3jrm h GLY 38 CO -0.23 0.45 0.58 -2.22 0.00 0.00 0.00 176.54 175.12 3jrm h ILE 39 N 0.71 1.21 -0.85 2.60 2.04 -0.82 0.93 117.51 123.34 3jrm h ILE 39 Ca 0.17 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3jrm h ILE 39 Cb 0.23 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 3jrm h ILE 39 CO -0.01 0.22 0.56 0.00 0.00 0.00 0.00 178.15 178.92 3jrm h ALA 40 N 1.33 1.09 -0.03 1.87 0.00 -0.78 -0.48 119.26 122.26 3jrm h ALA 40 Ca 0.33 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 3jrm h ALA 40 Cb -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.36 3jrm h ALA 40 CO -0.08 0.47 -0.95 0.87 0.00 0.00 0.00 179.25 179.56 3jrm h LYS 41 N 1.14 0.69 -0.29 0.00 1.79 -0.73 -1.47 116.57 117.69 3jrm h LYS 41 Ca 0.32 -0.71 0.06 0.00 -2.18 0.00 0.00 60.65 58.14 3jrm h LYS 41 Cb -0.11 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 30.67 3jrm h LYS 41 CO -0.08 1.29 -0.10 0.00 -1.08 0.00 0.00 179.45 179.49 3jrm h ALA 42 N 0.42 0.16 -0.46 3.86 0.00 -0.66 -1.61 119.26 120.97 3jrm h ALA 42 Ca -0.11 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3jrm h ALA 42 Cb 1.61 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 3jrm h ALA 42 CO 0.19 -0.49 0.23 0.00 0.00 0.00 0.00 179.25 179.18 3jrm h ALA 43 N 1.24 0.60 -0.40 0.00 0.00 -1.01 -1.51 119.26 118.18 3jrm h ALA 43 Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 43 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3jrm h ALA 43 CO -0.32 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.04 3jrm h ALA 44 N 1.07 1.19 0.02 0.00 0.00 -1.09 -0.80 119.26 119.65 3jrm h ALA 44 Ca 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3jrm h ALA 44 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3jrm h ALA 44 CO -0.02 0.53 -0.01 1.49 0.00 0.00 0.00 179.25 181.23 3jrm h GLU 45 N 0.62 -0.03 -0.72 0.00 4.22 -1.06 -2.10 114.58 115.51 3jrm h GLU 45 Ca 0.12 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.60 3jrm h GLU 45 Cb 0.44 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3jrm h GLU 45 CO 0.02 0.25 0.47 0.00 -2.18 0.00 0.00 179.01 177.57 3jrm h ALA 46 N 0.66 1.58 -0.57 2.92 0.00 -1.03 -1.33 119.26 121.49 3jrm h ALA 46 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3jrm h ALA 46 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3jrm h ALA 46 CO 0.01 0.35 0.28 1.25 0.00 0.00 0.00 179.25 181.13 3jrm h HIS 47 N 0.87 0.79 -0.23 0.00 -0.00 -0.97 -2.15 115.15 113.46 3jrm h HIS 47 Ca 0.28 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.59 3jrm h HIS 47 Cb 0.05 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 3jrm h HIS 47 CO -0.00 0.58 -0.03 0.78 -0.00 0.00 0.00 177.93 179.26 3jrm h GLY 48 N 0.90 0.47 0.44 5.26 0.00 -0.55 -1.05 103.07 108.53 3jrm h GLY 48 Ca 0.20 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.22 3jrm h GLY 48 CO -0.03 0.34 0.02 -2.08 0.00 0.00 0.00 176.54 174.79 3jrm h VAL 49 N 0.19 0.74 -0.47 4.60 2.07 -1.27 -2.30 116.25 119.81 3jrm h VAL 49 Ca 0.06 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 3jrm h VAL 49 Cb 0.47 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3jrm h VAL 49 CO 0.02 0.02 -0.08 0.40 0.02 0.00 0.00 177.57 177.95 3jrm h ILE 50 N 0.12 1.27 -0.89 4.57 2.04 -1.34 -2.96 117.51 120.33 3jrm h ILE 50 Ca 0.18 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.94 3jrm h ILE 50 Cb 0.24 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 3jrm h ILE 50 CO -0.29 0.41 0.54 -0.09 0.00 0.00 0.00 178.15 178.72 3jrm h ARG 51 N 0.73 0.89 0.00 2.37 2.43 -0.91 -1.37 114.38 118.53 3jrm h ARG 51 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3jrm h ARG 51 Cb 0.62 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3jrm h ARG 51 CO 0.04 0.59 0.00 0.09 -1.51 0.00 0.00 179.97 179.18 3jrm n ASN 52 N -4.66 0.00 -4.91 -3.80 3.02 -0.89 -4.90 115.26 99.13 3jrm n ASN 52 Ca 0.14 -1.41 -0.32 0.00 -0.03 0.00 0.00 54.58 52.97 3jrm n ASN 52 Cb 0.25 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 3jrm n ASN 52 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3jrm s SER 53 N -1.51 6.30 -0.15 6.41 0.01 -0.52 -5.09 113.70 119.16 3jrm s SER 53 Ca 0.21 0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.70 3jrm s SER 53 Cb 0.10 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 3jrm s SER 53 CO 0.16 0.20 -0.02 -0.89 0.41 0.00 0.00 173.24 173.10 3jrm s THR 54 N -1.45 4.06 -0.17 1.44 2.01 -1.26 -5.04 115.64 115.22 3jrm s THR 54 Ca 0.32 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 3jrm s THR 54 Cb -0.13 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 3jrm s THR 54 CO 0.25 0.50 0.15 -0.31 -0.69 0.00 0.00 174.62 174.51 3jrm s TYR 55 N 0.26 3.47 0.51 4.92 1.51 -1.26 -5.06 117.35 121.69 3jrm s TYR 55 Ca -0.02 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 3jrm s TYR 55 Cb -0.14 -2.12 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 3jrm s TYR 55 CO 0.02 0.41 0.02 0.20 -1.11 0.00 0.00 175.55 175.10 3jrm s GLY 56 N -0.02 3.06 0.56 0.71 0.00 -1.26 -4.94 107.32 105.44 3jrm s GLY 56 Ca 0.11 -0.21 0.31 0.00 0.00 0.00 0.00 44.72 44.92 3jrm s GLY 56 CO 0.00 -2.16 1.85 -0.09 0.00 0.00 0.00 173.10 172.71 3jrm h ARG 57 N 1.35 0.00 -1.00 2.90 2.43 -1.98 -0.12 114.38 117.96 3jrm h ARG 57 Ca -0.42 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 58.95 3jrm h ARG 57 Cb 1.32 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.77 3jrm h ARG 57 CO 0.70 0.00 0.61 0.00 -1.51 0.00 0.00 179.97 179.77 3jrm h ALA 58 N 1.44 1.79 0.00 2.80 0.00 -2.00 -2.23 119.26 121.06 3jrm h ALA 58 Ca 0.36 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 3jrm h ALA 58 Cb 1.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3jrm h ALA 58 CO -0.00 -0.17 -0.24 1.96 0.00 0.00 0.00 179.25 180.79 3jrm h GLN 59 N 0.67 0.00 0.00 0.00 7.50 -1.35 -1.89 115.11 120.04 3jrm h GLN 59 Ca 0.58 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.73 3jrm h GLN 59 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.56 3jrm h GLN 59 CO -0.37 0.24 0.00 0.00 -1.50 0.00 0.00 178.83 177.20 3jrm n ALA 60 N -2.24 1.94 1.02 3.87 0.00 -0.84 -3.59 120.51 120.67 3jrm n ALA 60 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3jrm n ALA 60 Cb 0.43 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.57 3jrm n ALA 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jrm n GLU 61 N -1.60 0.25 -3.86 0.00 1.02 -0.71 -4.89 120.64 110.85 3jrm n GLU 61 Ca 0.05 -0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 56.88 3jrm n GLU 61 Cb 0.25 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 3jrm n GLU 61 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3jrm s LYS 62 N -2.88 0.02 -0.29 3.49 2.20 -1.24 -5.13 119.74 115.92 3jrm s LYS 62 Ca 0.12 0.04 -0.24 0.00 -0.36 0.00 0.00 55.97 55.52 3jrm s LYS 62 Cb 0.17 -0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 3jrm s LYS 62 CO 0.75 -0.01 0.82 -1.12 -0.36 0.00 0.00 175.35 175.43 3jrm s SER 63 N 0.09 6.74 -0.14 1.43 0.01 -1.26 -4.89 113.70 115.67 3jrm s SER 63 Ca -0.01 0.81 -0.31 0.00 1.31 0.00 0.00 55.95 57.76 3jrm s SER 63 Cb -0.01 -2.42 -0.08 0.00 0.21 0.00 0.00 66.02 63.71 3jrm s SER 63 CO -0.00 -0.60 2.09 -2.65 0.41 0.00 0.00 173.24 172.49 3jrm n PRO 64 N 6.18 2.15 0.26 12.44 -0.02 -1.26 -4.86 135.00 149.88 3jrm n PRO 64 Ca 0.05 0.70 0.14 0.00 -2.02 0.00 0.00 63.50 62.37 3jrm n PRO 64 Cb 0.48 -2.96 0.64 0.00 -0.02 0.00 0.00 33.50 31.64 3jrm n PRO 64 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jrm h GLU 65 N 12.38 0.00 -0.42 -0.52 5.08 -1.99 -2.65 114.58 126.45 3jrm h GLU 65 Ca -0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3jrm h GLU 65 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3jrm h GLU 65 CO 0.96 0.11 0.23 0.37 -1.00 0.00 0.00 179.01 179.69 3jrm h GLN 66 N 0.00 0.58 -0.32 2.33 4.15 -2.00 -2.24 115.11 117.61 3jrm h GLN 66 Ca -0.00 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 3jrm h GLN 66 Cb 0.53 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3jrm h GLN 66 CO 0.01 0.46 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.19 3jrm h LEU 67 N 0.54 0.65 -1.37 -2.39 3.38 -1.87 -2.45 115.31 111.80 3jrm h LEU 67 Ca 0.15 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.79 3jrm h LEU 67 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3jrm h LEU 67 CO -0.02 0.89 0.47 -0.07 0.09 0.00 0.00 178.44 179.80 3jrm h LEU 68 N 0.41 0.68 -0.15 1.67 3.38 -1.47 -0.95 115.31 118.87 3jrm h LEU 68 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3jrm h LEU 68 Cb 0.62 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3jrm h LEU 68 CO 0.04 0.44 -0.09 1.23 0.09 0.00 0.00 178.44 180.15 3jrm h GLY 69 N 0.77 0.36 0.82 0.83 0.00 -1.19 -0.12 103.07 104.53 3jrm h GLY 69 Ca 0.31 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.33 3jrm h GLY 69 CO -0.10 0.31 0.15 -2.08 0.00 0.00 0.00 176.54 174.82 3jrm h VAL 70 N -0.01 0.97 -0.54 4.60 2.07 -1.10 -1.51 116.25 120.73 3jrm h VAL 70 Ca 0.03 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3jrm h VAL 70 Cb 0.58 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3jrm h VAL 70 CO 0.03 0.06 0.16 -0.07 0.02 0.00 0.00 177.57 177.77 3jrm h LEU 71 N 0.32 0.80 -1.34 2.57 3.38 -1.07 -1.81 115.31 118.16 3jrm h LEU 71 Ca 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3jrm h LEU 71 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3jrm h LEU 71 CO -0.11 0.80 -0.10 -0.61 0.09 0.00 0.00 178.44 178.51 3jrm h GLN 72 N 0.75 0.32 -0.29 1.13 5.75 -0.90 -1.30 115.11 120.57 3jrm h GLN 72 Ca 0.17 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.45 3jrm h GLN 72 Cb 0.29 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 3jrm h GLN 72 CO -0.00 0.43 -0.42 -0.09 -2.65 0.00 0.00 178.83 176.11 3jrm h ARG 73 N 0.31 0.80 -0.47 1.69 2.43 -0.84 -1.56 114.38 116.74 3jrm h ARG 73 Ca 0.06 -0.47 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 3jrm h ARG 73 Cb 0.37 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3jrm h ARG 73 CO 0.02 1.10 0.08 -0.92 -1.51 0.00 0.00 179.97 178.74 3jrm h TYR 74 N 0.57 0.83 -0.64 2.20 3.20 -1.13 -2.29 116.97 119.70 3jrm h TYR 74 Ca 0.03 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 3jrm h TYR 74 Cb 1.01 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 3jrm h TYR 74 CO 0.07 0.77 0.33 0.37 -1.64 0.00 0.00 178.16 178.06 3jrm h GLN 75 N 0.65 0.89 -0.38 1.82 4.15 -1.13 -0.62 115.11 120.50 3jrm h GLN 75 Ca 0.14 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 3jrm h GLN 75 Cb 0.39 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3jrm h GLN 75 CO 0.01 0.68 -0.28 -0.44 -1.93 0.00 0.00 178.83 176.86 3jrm h ASP 76 N 0.90 0.83 0.21 -0.69 3.32 -1.14 -0.45 116.42 119.41 3jrm h ASP 76 Ca 0.23 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3jrm h ASP 76 Cb 0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3jrm h ASP 76 CO -0.03 1.06 -0.10 0.25 -1.72 0.00 0.00 179.24 178.69 3jrm h LEU 77 N 0.69 -0.24 -0.89 1.55 5.85 -1.02 -2.43 115.31 118.81 3jrm h LEU 77 Ca 0.08 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 58.79 3jrm h LEU 77 Cb 0.82 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 3jrm h LEU 77 CO 0.07 0.03 0.48 0.00 -0.34 0.00 0.00 178.44 178.68 3jrm h HIS 79 N 0.68 0.22 -0.43 0.00 -0.00 -1.02 -0.91 115.15 113.70 3jrm h HIS 79 Ca 0.48 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.77 3jrm h HIS 79 Cb 0.68 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 3jrm h HIS 79 CO -0.07 0.08 -0.13 -0.91 -0.00 0.00 0.00 177.93 176.90 3jrm h ASN 80 N 0.28 0.86 -0.84 3.26 2.35 -0.65 -2.47 115.58 118.37 3jrm h ASN 80 Ca 0.18 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 3jrm h ASN 80 Cb 0.17 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3jrm h ASN 80 CO -0.19 1.04 0.42 0.58 -1.65 0.00 0.00 177.43 177.63 3jrm h VAL 81 N 0.68 1.26 -0.28 2.81 2.07 -0.99 -0.92 116.25 120.87 3jrm h VAL 81 Ca 0.11 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3jrm h VAL 81 Cb 0.68 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3jrm h VAL 81 CO 0.05 0.31 0.16 0.22 0.02 0.00 0.00 177.57 178.32 3jrm h TYR 82 N 1.20 0.39 -0.27 1.57 3.20 -1.10 0.32 116.97 122.28 3jrm h TYR 82 Ca 0.29 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 3jrm h TYR 82 Cb 0.10 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3jrm h TYR 82 CO 0.01 0.32 -0.21 0.00 -1.64 0.00 0.00 178.16 176.64 3jrm h GLN 84 N 0.45 0.51 -0.77 0.00 4.20 -0.96 -2.85 115.11 115.69 3jrm h GLN 84 Ca 0.07 -0.36 0.13 0.00 0.06 0.00 0.00 58.65 58.55 3jrm h GLN 84 Cb 0.62 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.37 3jrm h GLN 84 CO 0.04 0.97 0.36 0.00 -0.67 0.00 0.00 178.83 179.53 3jrm h ALA 85 N 0.54 1.11 0.00 3.87 0.00 -0.19 -1.53 119.26 123.05 3jrm h ALA 85 Ca -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3jrm h ALA 85 Cb 0.99 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3jrm h ALA 85 CO 0.08 -0.13 -0.18 0.93 0.00 0.00 0.00 179.25 179.95 3jrm h GLU 86 N 0.54 0.00 -0.33 0.00 4.39 -1.21 -0.93 114.58 117.05 3jrm h GLU 86 Ca 0.41 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.06 3jrm h GLU 86 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3jrm h GLU 86 CO -0.36 0.18 0.02 1.15 -1.16 0.00 0.00 179.01 178.84 3jrm h THR 87 N 0.00 1.25 -0.53 1.13 2.02 -1.05 -1.27 112.91 114.45 3jrm h THR 87 Ca -0.00 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 3jrm h THR 87 Cb 0.52 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3jrm h THR 87 CO 0.02 0.30 -0.05 0.40 0.37 0.00 0.00 175.52 176.56 3jrm h ILE 88 N 0.38 1.27 -0.81 3.11 2.04 -1.11 -1.62 117.51 120.76 3jrm h ILE 88 Ca 0.09 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3jrm h ILE 88 Cb 0.42 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3jrm h ILE 88 CO 0.01 0.42 0.51 0.03 0.00 0.00 0.00 178.15 179.12 3jrm h ARG 89 N 0.85 0.95 -0.63 2.37 3.08 -1.18 -1.99 114.38 117.83 3jrm h ARG 89 Ca 0.14 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 3jrm h ARG 89 Cb 0.60 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3jrm h ARG 89 CO 0.04 0.63 0.08 1.15 -1.07 0.00 0.00 179.97 180.80 3jrm h THR 90 N 0.98 1.26 -0.60 2.04 2.02 -0.76 0.12 112.91 117.96 3jrm h THR 90 Ca 0.33 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 3jrm h THR 90 Cb 0.06 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3jrm h THR 90 CO -0.13 0.39 0.30 0.58 0.37 0.00 0.00 175.52 177.02 3jrm h VAL 91 N 0.98 1.21 0.16 3.16 2.07 -0.85 -2.46 116.25 120.53 3jrm h VAL 91 Ca 0.19 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3jrm h VAL 91 Cb 0.45 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3jrm h VAL 91 CO 0.02 0.24 -0.08 0.40 0.02 0.00 0.00 177.57 178.16 3jrm h ILE 92 N 0.82 0.87 -0.90 4.57 2.04 -1.15 -3.35 117.51 120.42 3jrm h ILE 92 Ca 0.21 -1.10 0.11 0.00 1.00 0.00 0.00 64.86 65.08 3jrm h ILE 92 Cb 0.11 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 3jrm h ILE 92 CO -0.03 0.22 0.58 0.00 0.00 0.00 0.00 178.15 178.92 3jrm h ALA 93 N -0.25 1.68 -0.00 1.87 0.00 -0.72 0.60 119.26 122.45 3jrm h ALA 93 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jrm h ALA 93 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3jrm h ALA 93 CO 0.04 0.12 0.00 0.44 0.00 0.00 0.00 179.25 179.84 3jrm n ILE 94 N -4.55 0.00 -0.01 0.00 -5.35 -0.93 -2.84 119.36 105.68 3jrm n ILE 94 Ca 0.16 -0.04 0.02 0.00 -0.27 0.00 0.00 62.75 62.63 3jrm n ILE 94 Cb 0.35 -0.34 0.06 0.00 -1.74 0.00 0.00 39.64 37.97 3jrm n ILE 94 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3jrm n ARG 95 N -0.82 2.20 -1.93 6.28 1.74 0.18 -4.89 116.66 119.43 3jrm n ARG 95 Ca 0.23 -1.53 -0.42 0.00 -0.77 0.00 0.00 57.85 55.35 3jrm n ARG 95 Cb 0.14 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3jrm n ARG 95 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jrm s ILE 96 N -0.87 3.45 0.96 0.55 1.01 -1.09 -4.83 121.20 120.39 3jrm s ILE 96 Ca 0.09 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 61.14 3jrm s ILE 96 Cb 0.05 -3.35 0.19 0.00 0.01 0.00 0.00 42.46 39.36 3jrm s ILE 96 CO 0.07 -0.05 1.27 -2.16 0.00 0.00 0.00 174.94 174.07 3jrm s PRO 97 N 4.12 0.66 0.09 2.79 0.04 -1.26 -4.97 135.00 136.46 3jrm s PRO 97 Ca 0.77 -0.27 -0.36 0.00 0.04 0.00 0.00 61.00 61.18 3jrm s PRO 97 Cb -0.35 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.17 3jrm s PRO 97 CO 0.32 -2.42 1.07 -1.91 0.04 0.00 0.00 177.00 174.10 3jrm n GLU 98 N -3.81 0.50 -2.29 4.56 2.13 -1.26 -4.87 120.64 115.60 3jrm n GLU 98 Ca 0.14 0.18 -0.42 0.00 0.66 0.00 0.00 57.16 57.72 3jrm n GLU 98 Cb 0.60 -1.64 -0.03 0.00 0.27 0.00 0.00 31.44 30.64 3jrm n GLU 98 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3jrm s HIS 99 N -0.09 3.34 0.02 4.31 5.65 -1.26 -5.02 115.29 122.23 3jrm s HIS 99 Ca 0.82 1.25 -0.18 0.00 0.25 0.00 0.00 55.06 57.20 3jrm s HIS 99 Cb -1.06 -3.53 0.03 0.00 -1.18 0.00 0.00 32.58 26.84 3jrm s HIS 99 CO 0.54 -1.65 0.40 0.15 -0.65 0.00 0.00 174.74 173.52 3jrm s LYS 100 N 0.27 0.85 0.00 2.88 1.02 -1.26 -5.05 119.74 118.45 3jrm s LYS 100 Ca 0.57 -0.27 0.31 0.00 0.02 0.00 0.00 55.97 56.60 3jrm s LYS 100 Cb -0.34 0.38 1.64 0.00 -0.52 0.00 0.00 37.83 38.98 3jrm s LYS 100 CO 0.35 -0.27 2.08 0.39 -0.92 0.00 0.00 175.35 176.98 3jrm n GLU 101 N 0.78 0.95 -4.12 1.68 -0.58 -1.26 -4.86 120.64 113.22 3jrm n GLU 101 Ca -0.19 -0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 56.24 3jrm n GLU 101 Cb 0.58 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.90 3jrm n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jrm s ALA 102 N -2.16 0.90 -1.29 0.62 0.00 -1.26 -4.92 121.76 113.64 3jrm s ALA 102 Ca 0.41 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 3jrm s ALA 102 Cb 0.21 1.23 0.01 0.00 0.00 0.00 0.00 23.12 24.57 3jrm s ALA 102 CO 0.40 -0.76 0.84 -3.47 0.00 0.00 0.00 175.76 172.77 3jrm n ASP 103 N -1.22 -1.96 -0.57 0.00 2.03 -1.26 -4.94 116.55 108.63 3jrm n ASP 103 Ca 0.02 -0.74 0.06 0.00 0.52 0.00 0.00 54.79 54.65 3jrm n ASP 103 Cb 0.62 -4.43 0.20 0.00 -0.72 0.00 0.00 41.12 36.79 3jrm n ASP 103 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3jrm n ASN 104 N -3.06 1.99 -0.14 1.67 3.02 -1.26 -4.71 115.26 112.77 3jrm n ASN 104 Ca -0.26 -3.70 -0.10 0.00 -0.03 0.00 0.00 54.58 50.49 3jrm n ASN 104 Cb 0.66 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 3jrm n ASN 104 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3jrm h LEU 105 N 0.82 0.75 -0.20 3.41 3.38 -1.92 -1.84 115.31 119.71 3jrm h LEU 105 Ca 0.03 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 3jrm h LEU 105 Cb 1.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3jrm h LEU 105 CO 0.05 0.89 -0.37 1.23 0.09 0.00 0.00 178.44 180.34 3jrm h GLY 106 N 0.59 0.65 0.25 0.83 0.00 -1.83 -3.05 103.07 100.51 3jrm h GLY 106 Ca 0.12 -0.76 0.16 0.00 0.00 0.00 0.00 47.33 46.84 3jrm h GLY 106 CO 0.03 0.68 0.57 -2.08 0.00 0.00 0.00 176.54 175.74 3jrm h VAL 107 N 0.27 0.77 -0.76 4.60 2.07 -1.72 -0.12 116.25 121.36 3jrm h VAL 107 Ca 0.01 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3jrm h VAL 107 Cb 0.96 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3jrm h VAL 107 CO 0.08 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.11 3jrm h ALA 108 N 1.59 1.08 -0.41 1.67 0.00 -1.23 -0.54 119.26 121.42 3jrm h ALA 108 Ca 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3jrm h ALA 108 Cb 0.72 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3jrm h ALA 108 CO -0.34 0.65 0.23 0.28 0.00 0.00 0.00 179.25 180.07 3jrm h VAL 109 N 1.11 1.15 0.10 0.00 2.07 -0.98 0.25 116.25 119.95 3jrm h VAL 109 Ca 0.25 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.41 3jrm h VAL 109 Cb 0.22 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3jrm h VAL 109 CO -0.02 0.16 -0.22 1.56 0.02 0.00 0.00 177.57 179.07 3jrm h GLN 110 N 0.53 -0.38 -0.51 1.57 4.20 -0.51 -1.48 115.11 118.53 3jrm h GLN 110 Ca 0.15 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 3jrm h GLN 110 Cb 0.05 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3jrm h GLN 110 CO -0.02 -0.26 0.16 0.45 -0.67 0.00 0.00 178.83 178.49 3jrm h HIS 111 N -0.40 0.76 -0.14 2.96 3.86 -1.01 -0.88 115.15 120.30 3jrm h HIS 111 Ca 0.03 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3jrm h HIS 111 Cb 0.43 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 3jrm h HIS 111 CO -0.21 0.62 0.05 0.00 0.86 0.00 0.00 177.93 179.25 3jrm h ALA 112 N 1.44 0.15 -0.09 2.45 0.00 -0.64 -0.92 119.26 121.66 3jrm h ALA 112 Ca 0.17 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 3jrm h ALA 112 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jrm h ALA 112 CO -0.01 -0.39 -0.79 0.28 0.00 0.00 0.00 179.25 178.34 3jrm h VAL 113 N 0.13 1.34 -0.43 0.00 2.07 -1.04 -2.82 116.25 115.50 3jrm h VAL 113 Ca 0.06 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.45 3jrm h VAL 113 Cb 0.03 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3jrm h VAL 113 CO -0.05 0.65 0.27 -0.07 0.02 0.00 0.00 177.57 178.39 3jrm h LEU 114 N 0.36 0.49 -0.45 2.57 3.38 -1.06 -2.31 115.31 118.29 3jrm h LEU 114 Ca -0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3jrm h LEU 114 Cb 1.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3jrm h LEU 114 CO 0.15 0.36 -0.01 0.50 0.09 0.00 0.00 178.44 179.53 3jrm h LYS 115 N 0.58 0.79 0.00 1.13 3.64 -0.91 -0.47 116.57 121.33 3jrm h LYS 115 Ca 0.16 -0.26 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3jrm h LYS 115 Cb -0.05 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3jrm h LYS 115 CO -0.03 0.86 -0.64 -0.84 -2.27 0.00 0.00 179.45 176.53 3jrm h ILE 116 N 0.64 1.30 -0.09 2.00 3.07 -1.36 -1.12 117.51 121.95 3jrm h ILE 116 Ca 0.12 -2.29 -0.10 0.00 1.55 0.00 0.00 64.86 64.15 3jrm h ILE 116 Cb 0.51 2.29 -0.01 0.00 -0.27 0.00 0.00 36.82 39.34 3jrm h ILE 116 CO 0.02 0.62 -0.38 0.40 -1.05 0.00 0.00 178.15 177.77 3jrm h ILE 117 N 0.00 1.29 -0.29 0.16 2.04 -1.21 -0.21 117.51 119.29 3jrm h ILE 117 Ca -0.01 -1.41 -0.16 0.00 1.00 0.00 0.00 64.86 64.28 3jrm h ILE 117 Cb 1.24 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3jrm h ILE 117 CO 0.08 0.42 -0.46 0.44 0.00 0.00 0.00 178.15 178.63 3jrm h ASP 118 N 0.16 0.91 -0.69 1.72 3.32 -0.74 -2.39 116.42 118.70 3jrm h ASP 118 Ca 0.02 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 3jrm h ASP 118 Cb 0.74 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3jrm h ASP 118 CO 0.06 1.25 0.39 -0.08 -1.72 0.00 0.00 179.24 179.14 3jrm h GLU 119 N 0.60 0.98 0.00 3.56 4.22 -0.97 0.55 114.58 123.52 3jrm h GLU 119 Ca 0.03 -0.10 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 3jrm h GLU 119 Cb 1.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3jrm h GLU 119 CO 0.11 0.71 -0.00 1.25 -2.18 0.00 0.00 179.01 178.90 3jrm h LEU 120 N 0.99 -0.00 0.12 1.64 5.85 -0.89 -1.14 115.31 121.87 3jrm h LEU 120 Ca 0.25 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3jrm h LEU 120 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3jrm h LEU 120 CO -0.04 0.12 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.79 3jrm h GLU 121 N -0.13 -0.15 0.07 1.25 5.08 -1.14 0.18 114.58 119.74 3jrm h GLU 121 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3jrm h GLU 121 Cb 0.13 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3jrm h GLU 121 CO 0.00 0.33 -0.03 0.82 -1.00 0.00 0.00 179.01 179.13 3jrm h ILE 122 N -0.76 1.23 0.00 3.13 1.08 -1.02 -2.75 117.51 118.42 3jrm h ILE 122 Ca -0.02 -1.15 -0.14 0.00 -0.39 0.00 0.00 64.86 63.16 3jrm h ILE 122 Cb 0.55 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 3jrm h ILE 122 CO 0.03 0.28 -0.96 0.50 -0.69 0.00 0.00 178.15 177.31 3jrm h LYS 123 N -0.62 0.00 0.07 2.37 1.63 -1.42 -2.85 116.57 115.75 3jrm h LYS 123 Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3jrm h LYS 123 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3jrm h LYS 123 CO 0.01 0.59 -0.03 1.15 -3.45 0.00 0.00 179.45 177.72 3jrm h THR 124 N -1.00 1.20 0.00 1.00 2.02 -0.99 -3.20 112.91 111.93 3jrm h THR 124 Ca -0.21 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.49 3jrm h THR 124 Cb 0.98 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 3jrm h THR 124 CO -0.13 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.28 3jrm n LEU 125 N -4.81 0.55 -3.48 2.58 4.77 0.62 -4.75 117.00 112.49 3jrm n LEU 125 Ca -0.08 0.61 -0.25 0.00 -0.03 0.00 0.00 56.01 56.26 3jrm n LEU 125 Cb 0.31 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3jrm n LEU 125 CO 0.28 -0.37 0.12 0.61 -1.33 0.00 0.00 177.39 176.70 3jrm n GLY 126 N 0.45 -0.53 0.20 -0.72 0.00 -1.08 -1.13 105.19 102.39 3jrm n GLY 126 Ca 0.04 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.39 3jrm n GLY 126 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 127 N -2.06 0.00 -4.26 1.61 4.64 -1.51 -3.34 113.55 108.63 3jrm h SER 127 Ca -0.55 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.28 3jrm h SER 127 Cb 1.36 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.50 3jrm h SER 127 CO 0.59 0.00 0.39 -0.83 -0.87 0.00 0.00 176.83 176.10 3jrm s GLY 128 N -3.98 1.91 0.24 -0.77 0.00 -1.26 -4.97 107.32 98.50 3jrm s GLY 128 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.90 3jrm s GLY 128 CO 0.57 0.42 1.66 -2.09 0.00 0.00 0.00 173.10 173.67 3jrm h GLU 129 N 0.27 0.64 -3.15 2.90 4.81 -2.00 -3.43 114.58 114.62 3jrm h GLU 129 Ca -0.46 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 58.30 3jrm h GLU 129 Cb 1.20 -0.03 -0.31 0.00 0.63 0.00 0.00 28.75 30.24 3jrm h GLU 129 CO 0.60 0.83 -0.55 0.21 -0.73 0.00 0.00 179.01 179.38 3jrm s LYS 130 N -4.52 0.14 0.48 1.92 2.20 -1.26 -5.15 119.74 113.55 3jrm s LYS 130 Ca -0.08 0.44 -0.13 0.00 -0.36 0.00 0.00 55.97 55.84 3jrm s LYS 130 Cb 0.13 -0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 36.23 3jrm s LYS 130 CO 0.82 -0.16 0.90 -1.54 -0.36 0.00 0.00 175.35 175.01 3jrm s SER 131 N 1.20 6.53 1.03 1.43 1.04 -1.26 -5.06 113.70 118.60 3jrm s SER 131 Ca -0.09 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 57.61 3jrm s SER 131 Cb -0.11 -2.43 0.14 0.00 0.10 0.00 0.00 66.02 63.73 3jrm s SER 131 CO -0.07 -0.55 0.77 0.61 0.98 0.00 0.00 173.24 174.98 3jrm n GLY 132 N -1.62 -1.58 0.00 7.32 0.00 -1.26 -4.85 105.19 103.20 3jrm n GLY 132 Ca 0.05 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.46 3jrm n GLY 132 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jrm n SER 133 N -3.62 0.00 0.30 1.61 3.41 -1.26 -0.81 113.62 113.26 3jrm n SER 133 Ca 0.10 0.38 0.19 0.00 -0.26 0.00 0.00 58.87 59.28 3jrm n SER 133 Cb 0.35 -0.43 0.94 0.00 -0.26 0.00 0.00 64.21 64.81 3jrm n SER 133 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3jrm h GLY 134 N 1.69 0.00 0.00 5.00 0.00 -2.03 -3.49 103.07 104.24 3jrm h GLY 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jrm h GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3jrm n GLY 135 N -0.56 -2.03 3.00 4.60 0.00 0.01 -4.74 105.19 105.47 3jrm n GLY 135 Ca -0.01 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 3jrm n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jrm s ALA 136 N -1.18 3.20 -0.22 4.61 0.00 -1.26 -4.42 121.76 122.48 3jrm s ALA 136 Ca 0.00 -3.01 0.29 0.00 0.00 0.00 0.00 51.96 49.24 3jrm s ALA 136 Cb 0.00 -2.16 1.05 0.00 0.00 0.00 0.00 23.12 22.01 3jrm s ALA 136 CO 0.00 -1.91 1.83 -1.00 0.00 0.00 0.00 175.76 174.68 3jrm h PRO 137 N 6.98 0.00 -6.88 0.00 0.13 -1.85 -3.44 132.00 126.94 3jrm h PRO 137 Ca -0.06 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.56 3jrm h PRO 137 Cb 0.95 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.11 3jrm h PRO 137 CO 0.64 0.00 0.51 -0.08 -0.23 0.00 0.00 178.00 178.84 3jrm s THR 138 N -3.45 3.26 0.41 1.56 -1.32 -1.26 -4.96 115.64 109.88 3jrm s THR 138 Ca 0.04 1.16 0.12 0.00 -1.21 0.00 0.00 61.69 61.80 3jrm s THR 138 Cb 0.09 -3.70 0.16 0.00 -1.51 0.00 0.00 72.50 67.54 3jrm s THR 138 CO 0.53 0.20 1.93 -0.65 -2.21 0.00 0.00 174.62 174.42 3jrm h PRO 139 N 3.20 0.11 -2.73 7.08 0.11 -1.87 -3.44 132.00 134.45 3jrm h PRO 139 Ca -0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3jrm h PRO 139 Cb 1.22 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 3jrm h PRO 139 CO 0.65 0.30 -0.22 -1.50 -0.21 0.00 0.00 178.00 177.01 3jrm s ILE 140 N -4.61 0.00 0.36 4.15 2.07 -1.26 -4.97 121.20 116.95 3jrm s ILE 140 Ca -0.04 -0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.16 3jrm s ILE 140 Cb 0.15 -0.59 0.07 0.00 0.13 0.00 0.00 42.46 42.22 3jrm s ILE 140 CO 0.72 -0.02 0.50 0.61 -1.91 0.00 0.00 174.94 174.84 3jrm n GLY 141 N 2.71 0.58 0.27 1.50 0.00 -1.26 -4.84 105.19 104.15 3jrm n GLY 141 Ca -0.14 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 43.94 3jrm n GLY 141 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3jrm h MET 142 N 0.00 0.47 -2.22 1.61 2.86 -1.25 -3.21 114.93 113.19 3jrm h MET 142 Ca -0.16 -0.03 -0.63 0.00 -2.06 0.00 0.00 59.70 56.82 3jrm h MET 142 Cb 0.60 -0.11 -0.18 0.00 0.06 0.00 0.00 31.60 31.97 3jrm h MET 142 CO 0.17 0.31 1.16 0.66 1.06 0.00 0.00 176.91 180.27 3jrm n TYR 143 N -4.96 2.14 -0.01 -0.22 4.02 -1.26 -4.58 117.16 112.28 3jrm n TYR 143 Ca 0.13 -2.31 -0.17 0.00 -0.01 0.00 0.00 57.90 55.54 3jrm n TYR 143 Cb 0.36 -1.49 -0.10 0.00 -0.02 0.00 0.00 39.34 38.08 3jrm n TYR 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3jrm h ALA 144 N 3.61 0.11 -0.02 -0.72 0.00 -1.92 -2.19 119.26 118.13 3jrm h ALA 144 Ca 0.52 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 144 Cb 0.49 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3jrm h ALA 144 CO 1.15 0.33 -0.23 1.25 0.00 0.00 0.00 179.25 181.74 3jrm h LEU 145 N -0.07 -0.70 -0.69 0.00 5.85 -1.85 -0.19 115.31 117.67 3jrm h LEU 145 Ca -0.06 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3jrm h LEU 145 Cb 1.22 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.47 3jrm h LEU 145 CO 0.11 -0.30 0.34 -0.09 -0.34 0.00 0.00 178.44 178.15 3jrm h ARG 146 N -0.35 0.56 -0.39 1.25 9.65 -1.92 -0.61 114.38 122.56 3jrm h ARG 146 Ca 0.07 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 3jrm h ARG 146 Cb 0.45 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 3jrm h ARG 146 CO -0.23 0.37 0.22 0.93 2.80 0.00 0.00 179.97 184.06 3jrm h GLU 147 N 0.57 0.55 0.20 0.20 5.08 -0.72 -1.80 114.58 118.65 3jrm h GLU 147 Ca 0.34 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3jrm h GLU 147 Cb 0.36 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3jrm h GLU 147 CO -0.27 0.44 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.17 3jrm h TYR 148 N 0.51 -0.25 -0.73 4.33 3.20 -0.69 -1.90 116.97 121.44 3jrm h TYR 148 Ca 0.14 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3jrm h TYR 148 Cb 0.05 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3jrm h TYR 148 CO -0.03 -0.10 0.35 -0.07 -1.64 0.00 0.00 178.16 176.67 3jrm h LEU 149 N -0.33 0.95 -0.21 2.82 3.38 -1.06 0.47 115.31 121.32 3jrm h LEU 149 Ca -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3jrm h LEU 149 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3jrm h LEU 149 CO 0.04 0.80 0.04 0.28 0.09 0.00 0.00 178.44 179.69 3jrm h SER 150 N 1.04 0.33 -0.38 -0.43 0.02 -1.29 0.34 113.55 113.18 3jrm h SER 150 Ca 0.25 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jrm h SER 150 Cb 0.11 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3jrm h SER 150 CO -0.03 0.50 0.25 0.00 -1.14 0.00 0.00 176.83 176.40 3jrm h ALA 151 N 0.84 0.49 -0.17 3.77 0.00 -1.03 -2.71 119.26 120.45 3jrm h ALA 151 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3jrm h ALA 151 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3jrm h ALA 151 CO 0.00 -0.04 -0.31 -0.09 0.00 0.00 0.00 179.25 178.81 3jrm h ARG 152 N 0.51 0.51 -0.29 0.00 2.43 -0.82 -3.18 114.38 113.54 3jrm h ARG 152 Ca 0.14 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 3jrm h ARG 152 Cb -0.04 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3jrm h ARG 152 CO -0.03 0.93 -0.04 0.66 -1.51 0.00 0.00 179.97 179.98 3jrm h SER 153 N 0.15 0.43 -0.55 -3.80 4.64 -0.87 0.21 113.55 113.77 3jrm h SER 153 Ca 0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3jrm h SER 153 Cb 0.90 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 3jrm h SER 153 CO 0.07 0.53 0.35 0.74 -0.87 0.00 0.00 176.83 177.64 3jrm h THR 154 N 0.44 1.15 -0.06 2.95 2.02 -1.49 -0.63 112.91 117.30 3jrm h THR 154 Ca 0.09 -0.31 -0.19 0.00 0.77 0.00 0.00 66.41 66.78 3jrm h THR 154 Cb 0.35 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3jrm h THR 154 CO 0.01 0.15 -0.77 0.58 0.37 0.00 0.00 175.52 175.87 3jrm h VAL 155 N 0.74 1.40 -0.22 3.16 2.07 -1.32 -2.73 116.25 119.35 3jrm h VAL 155 Ca 0.20 -2.23 0.03 0.00 0.82 0.00 0.00 66.70 65.52 3jrm h VAL 155 Cb -0.05 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3jrm h VAL 155 CO -0.04 0.67 0.02 -0.33 0.02 0.00 0.00 177.57 177.91 3jrm h GLU 156 N 0.24 0.10 0.16 1.57 5.08 -0.39 -1.96 114.58 119.38 3jrm h GLU 156 Ca -0.04 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3jrm h GLU 156 Cb 1.35 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 3jrm h GLU 156 CO 0.13 0.06 -0.28 -0.44 -1.00 0.00 0.00 179.01 177.48 3jrm h ASP 157 N 0.10 -0.80 -0.75 1.42 5.19 -1.01 0.18 116.42 120.76 3jrm h ASP 157 Ca 0.10 0.09 0.07 0.00 -0.62 0.00 0.00 57.03 56.67 3jrm h ASP 157 Cb 0.11 0.30 -0.05 0.00 0.18 0.00 0.00 39.33 39.87 3jrm h ASP 157 CO -0.15 -0.38 0.49 0.11 -3.12 0.00 0.00 179.24 176.19 3jrm h LYS 158 N -0.53 0.74 0.04 3.56 1.57 -1.37 0.23 116.57 120.81 3jrm h LYS 158 Ca 0.02 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 3jrm h LYS 158 Cb 0.53 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3jrm h LYS 158 CO -0.14 0.49 -1.06 -0.07 -0.57 0.00 0.00 179.45 178.10 3jrm h LEU 159 N 0.76 0.68 0.00 2.94 3.38 -0.79 0.20 115.31 122.48 3jrm h LEU 159 Ca 0.33 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3jrm h LEU 159 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3jrm h LEU 159 CO -0.11 1.39 -0.36 -0.07 0.09 0.00 0.00 178.44 179.38 3jrm h LEU 160 N 0.26 0.00 0.00 1.67 3.38 -0.59 -3.34 115.31 116.69 3jrm h LEU 160 Ca -0.12 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3jrm h LEU 160 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3jrm h LEU 160 CO 0.19 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.38 3jrm n GLY 161 N 1.59 0.62 1.55 0.83 0.00 0.78 -3.50 105.19 107.05 3jrm n GLY 161 Ca -0.14 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 3jrm n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jrm n GLY 172 N 0.00 0.07 3.74 -0.02 0.00 -1.26 -5.07 105.19 102.64 3jrm n GLY 172 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 3jrm n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jrm s GLY 173 N 1.36 1.60 0.39 -0.02 0.00 -1.23 -5.00 107.32 104.42 3jrm s GLY 173 Ca 0.44 -0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.68 3jrm s GLY 173 CO 0.34 0.29 1.22 -0.45 0.00 0.00 0.00 173.10 174.49 3jrm s SER 174 N -3.62 6.52 -0.03 1.64 0.15 0.69 -4.93 113.70 114.12 3jrm s SER 174 Ca 0.63 2.47 0.16 0.00 0.70 0.00 0.00 55.95 59.91 3jrm s SER 174 Cb -0.17 -2.63 0.51 0.00 -1.71 0.00 0.00 66.02 62.02 3jrm s SER 174 CO 0.56 -0.69 1.41 0.00 1.20 0.00 0.00 173.24 175.72 3jrm n GLN 175 N 0.22 2.51 -2.18 5.44 1.13 -1.26 -4.85 117.38 118.39 3jrm n GLN 175 Ca 0.03 -2.04 -0.43 0.00 -1.94 0.00 0.00 57.00 52.63 3jrm n GLN 175 Cb 0.45 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.25 3jrm n GLN 175 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3jrm s SER 176 N -0.94 6.76 0.26 1.08 0.15 -1.26 -4.89 113.70 114.86 3jrm s SER 176 Ca 0.37 1.97 -0.02 0.00 0.70 0.00 0.00 55.95 58.98 3jrm s SER 176 Cb 0.21 -2.54 0.34 0.00 -1.71 0.00 0.00 66.02 62.33 3jrm s SER 176 CO 0.23 -0.88 1.77 1.55 1.20 0.00 0.00 173.24 177.11 3jrm h PRO 177 N 9.08 0.80 -0.21 5.44 0.13 -2.02 -3.09 132.00 142.13 3jrm h PRO 177 Ca -0.34 -0.21 -0.13 0.00 -0.87 0.00 0.00 66.00 64.46 3jrm h PRO 177 Cb 1.15 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3jrm h PRO 177 CO 0.96 0.79 -0.42 0.77 -0.23 0.00 0.00 178.00 179.88 3jrm h SER 178 N 0.75 0.53 -0.81 1.44 0.02 -1.99 -2.67 113.55 110.82 3jrm h SER 178 Ca 0.15 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3jrm h SER 178 Cb 0.42 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3jrm h SER 178 CO 0.02 0.89 0.53 0.25 -1.14 0.00 0.00 176.83 177.37 3jrm h LEU 179 N 0.41 0.87 -0.26 5.07 5.85 -1.94 0.23 115.31 125.54 3jrm h LEU 179 Ca 0.03 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3jrm h LEU 179 Cb 0.91 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3jrm h LEU 179 CO 0.08 0.60 -0.07 0.25 -0.34 0.00 0.00 178.44 178.97 3jrm h LEU 180 N 1.01 0.51 -1.46 2.25 5.85 -1.42 -2.20 115.31 119.85 3jrm h LEU 180 Ca 0.32 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3jrm h LEU 180 Cb 0.01 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3jrm h LEU 180 CO -0.09 0.76 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.68 3jrm h LEU 181 N 0.25 0.29 -0.42 2.25 3.38 -1.19 -2.78 115.31 117.09 3jrm h LEU 181 Ca 0.07 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3jrm h LEU 181 Cb 0.54 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3jrm h LEU 181 CO 0.03 0.37 0.12 -0.08 0.09 0.00 0.00 178.44 178.96 3jrm h GLU 182 N 0.31 0.67 -0.75 1.13 4.81 -0.27 0.65 114.58 121.13 3jrm h GLU 182 Ca 0.07 -0.15 0.16 0.00 -0.13 0.00 0.00 59.36 59.31 3jrm h GLU 182 Cb 0.25 -0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.43 3jrm h GLU 182 CO 0.01 0.67 0.23 1.25 -0.73 0.00 0.00 179.01 180.44 3jrm h LEU 183 N 0.55 0.12 -0.68 1.64 5.85 -1.12 0.48 115.31 122.15 3jrm h LEU 183 Ca 0.13 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 3jrm h LEU 183 Cb 0.29 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3jrm h LEU 183 CO -0.00 0.01 -0.04 -0.09 -0.34 0.00 0.00 178.44 177.98 3jrm h ARG 184 N 0.33 0.99 0.00 1.25 2.43 -1.36 -2.77 114.38 115.25 3jrm h ARG 184 Ca 0.43 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3jrm h ARG 184 Cb 0.71 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3jrm h ARG 184 CO -0.48 0.99 -0.45 0.37 -1.51 0.00 0.00 179.97 178.90 3jrm h GLN 185 N 0.90 0.00 -0.27 0.20 5.75 0.16 0.97 115.11 122.81 3jrm h GLN 185 Ca 0.16 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3jrm h GLN 185 Cb 0.58 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 3jrm h GLN 185 CO 0.03 0.45 0.17 0.82 -2.65 0.00 0.00 178.83 177.65 3jrm h ILE 186 N 0.00 1.09 -0.42 2.39 2.04 -0.02 0.17 117.51 122.77 3jrm h ILE 186 Ca -0.00 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3jrm h ILE 186 Cb 0.84 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3jrm h ILE 186 CO 0.06 0.09 0.08 0.44 0.00 0.00 0.00 178.15 178.83 3jrm h ASP 187 N 0.35 0.65 0.64 1.72 3.32 -1.17 -1.39 116.42 120.55 3jrm h ASP 187 Ca 0.10 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3jrm h ASP 187 Cb 0.00 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.39 3jrm h ASP 187 CO -0.02 0.73 -0.31 0.00 -1.72 0.00 0.00 179.24 177.92 3jrm h ALA 188 N 0.94 -0.87 -0.99 3.45 0.00 -0.74 -3.15 119.26 117.90 3jrm h ALA 188 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3jrm h ALA 188 Cb 0.34 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3jrm h ALA 188 CO 0.00 -0.94 0.66 -0.44 0.00 0.00 0.00 179.25 178.53 3jrm h ASP 189 N -0.96 1.11 0.50 0.00 3.32 -0.57 -0.79 116.42 119.02 3jrm h ASP 189 Ca -0.09 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3jrm h ASP 189 Cb 0.69 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3jrm h ASP 189 CO 0.15 0.78 -0.23 -0.26 -1.72 0.00 0.00 179.24 177.96 3jrm h PHE 190 N 1.30 0.00 0.10 4.55 -1.00 -1.30 0.36 116.94 120.95 3jrm h PHE 190 Ca 0.38 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.88 3jrm h PHE 190 Cb -0.08 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.50 3jrm h PHE 190 CO -0.00 0.23 -1.19 0.52 -1.61 0.00 0.00 178.31 176.26 3jrm h MET 191 N 0.00 0.47 -0.33 1.51 2.86 -1.18 -2.92 114.93 115.33 3jrm h MET 191 Ca -0.00 -0.64 0.05 0.00 -2.06 0.00 0.00 59.70 57.04 3jrm h MET 191 Cb 0.54 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 3jrm h MET 191 CO 0.03 1.27 0.07 1.25 1.06 0.00 0.00 176.91 180.59 3jrm h LEU 192 N 0.20 0.01 -1.62 1.22 5.85 -0.49 -2.23 115.31 118.26 3jrm h LEU 192 Ca -0.15 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3jrm h LEU 192 Cb 1.86 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.95 3jrm h LEU 192 CO 0.21 0.04 0.21 0.11 -0.34 0.00 0.00 178.44 178.68 3jrm h LYS 193 N 0.18 0.47 -0.18 1.25 1.57 -0.34 -0.88 116.57 118.63 3jrm h LYS 193 Ca 0.15 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 3jrm h LYS 193 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3jrm h LYS 193 CO -0.20 0.33 -0.56 0.28 -0.57 0.00 0.00 179.45 178.72 3jrm h VAL 194 N 0.48 1.32 -0.04 0.50 2.07 -1.29 0.16 116.25 119.45 3jrm h VAL 194 Ca 0.13 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 3jrm h VAL 194 Cb -0.02 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3jrm h VAL 194 CO -0.02 0.56 0.02 -0.33 0.02 0.00 0.00 177.57 177.82 3jrm h GLU 195 N 0.43 0.05 -0.08 1.57 5.08 -0.62 -1.40 114.58 119.62 3jrm h GLU 195 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jrm h GLU 195 Cb 1.11 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3jrm h GLU 195 CO 0.11 0.10 0.03 -0.07 -1.00 0.00 0.00 179.01 178.18 3jrm h LEU 196 N -0.01 0.11 -1.12 1.33 3.38 -1.19 -2.64 115.31 115.16 3jrm h LEU 196 Ca 0.01 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3jrm h LEU 196 Cb 0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3jrm h LEU 196 CO -0.00 0.24 0.59 0.00 0.09 0.00 0.00 178.44 179.36 3jrm h ALA 197 N 0.88 1.37 -0.36 1.53 0.00 -0.63 -1.68 119.26 120.37 3jrm h ALA 197 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3jrm h ALA 197 Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3jrm h ALA 197 CO -0.00 0.58 -0.23 1.79 0.00 0.00 0.00 179.25 181.39 3jrm h THR 198 N 1.20 1.29 -0.17 0.00 1.35 -1.15 0.84 112.91 116.27 3jrm h THR 198 Ca 0.33 -1.37 0.03 0.00 -0.55 0.00 0.00 66.41 64.85 3jrm h THR 198 Cb -0.12 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 3jrm h THR 198 CO -0.08 0.45 0.01 0.74 -0.25 0.00 0.00 175.52 176.39 3jrm h THR 199 N 0.57 0.89 -0.35 6.82 2.02 -1.07 -0.64 112.91 121.15 3jrm h THR 199 Ca 0.07 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.28 3jrm h THR 199 Cb 0.78 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3jrm h THR 199 CO 0.06 0.01 0.07 -0.74 0.37 0.00 0.00 175.52 175.30 3jrm h HIS 200 N 0.07 0.12 -0.40 3.16 6.17 -1.15 -1.42 115.15 121.70 3jrm h HIS 200 Ca 0.08 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.15 3jrm h HIS 200 Cb 0.09 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.00 3jrm h HIS 200 CO -0.16 0.02 0.10 1.25 0.71 0.00 0.00 177.93 179.86 3jrm h LEU 201 N 0.20 0.54 -0.13 0.26 5.85 -0.54 -2.48 115.31 119.01 3jrm h LEU 201 Ca 0.16 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3jrm h LEU 201 Cb 0.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3jrm h LEU 201 CO -0.21 0.54 0.03 0.28 -0.34 0.00 0.00 178.44 178.74 3jrm h SER 202 N 0.58 0.19 -0.45 1.25 0.02 -0.23 0.07 113.55 114.97 3jrm h SER 202 Ca 0.13 -0.22 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3jrm h SER 202 Cb 0.21 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3jrm h SER 202 CO -0.00 0.36 0.08 0.74 -1.14 0.00 0.00 176.83 176.87 3jrm h THR 203 N 0.01 0.75 -0.54 -2.27 2.02 -1.02 -0.37 112.91 111.49 3jrm h THR 203 Ca 0.04 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 3jrm h THR 203 Cb 0.24 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3jrm h THR 203 CO -0.00 0.04 0.17 0.24 0.37 0.00 0.00 175.52 176.33 3jrm h MET 204 N 0.22 0.84 -0.72 6.66 2.07 -1.25 0.56 114.93 123.31 3jrm h MET 204 Ca 0.22 -0.18 -0.07 0.00 -2.07 0.00 0.00 59.70 57.60 3jrm h MET 204 Cb 0.29 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.87 3jrm h MET 204 CO -0.30 0.77 0.18 0.28 1.07 0.00 0.00 176.91 178.92 3jrm h VAL 205 N 0.75 1.26 -0.49 -2.22 2.07 -0.53 -0.89 116.25 116.21 3jrm h VAL 205 Ca 0.17 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 3jrm h VAL 205 Cb 0.29 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3jrm h VAL 205 CO -0.00 0.38 -0.01 0.03 0.02 0.00 0.00 177.57 177.98 3jrm h ARG 206 N 1.09 0.86 -0.72 1.57 3.08 -0.78 -1.16 114.38 118.33 3jrm h ARG 206 Ca 0.23 -0.28 0.08 0.00 0.07 0.00 0.00 59.98 60.08 3jrm h ARG 206 Cb 0.37 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 3jrm h ARG 206 CO 0.00 0.91 0.39 0.00 -1.07 0.00 0.00 179.97 180.20 3jrm h ALA 207 N 0.93 0.99 -0.03 0.04 0.00 -0.49 -1.69 119.26 119.00 3jrm h ALA 207 Ca 0.14 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 207 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3jrm h ALA 207 CO 0.03 0.04 -0.66 0.28 0.00 0.00 0.00 179.25 178.94 3jrm h VAL 208 N 0.70 1.44 -0.06 0.00 2.07 -0.92 -0.43 116.25 119.04 3jrm h VAL 208 Ca 0.34 -2.17 0.01 0.00 0.82 0.00 0.00 66.70 65.70 3jrm h VAL 208 Cb 0.27 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3jrm h VAL 208 CO -0.22 0.63 -0.02 0.40 0.02 0.00 0.00 177.57 178.38 3jrm h ILE 209 N 0.08 0.93 0.07 4.57 2.04 -0.67 -0.49 117.51 124.04 3jrm h ILE 209 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3jrm h ILE 209 Cb 1.17 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3jrm h ILE 209 CO 0.09 0.00 -0.03 -1.13 0.00 0.00 0.00 178.15 177.08 3jrm h ASN 210 N -0.00 -0.07 -0.61 1.72 -1.24 -1.17 -1.69 115.58 112.52 3jrm h ASN 210 Ca 0.03 -0.05 0.05 0.00 0.71 0.00 0.00 56.30 57.05 3jrm h ASN 210 Cb 0.05 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.07 3jrm h ASN 210 CO -0.07 -0.00 0.33 0.00 -1.29 0.00 0.00 177.43 176.40 3jrm h ALA 211 N 0.79 0.81 0.16 1.57 0.00 -0.96 -1.36 119.26 120.27 3jrm h ALA 211 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3jrm h ALA 211 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3jrm h ALA 211 CO 0.01 0.00 -0.08 -0.92 0.00 0.00 0.00 179.25 178.27 3jrm h TYR 212 N 0.62 -0.20 -0.22 0.00 3.20 -1.00 -2.76 116.97 116.61 3jrm h TYR 212 Ca 0.27 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3jrm h TYR 212 Cb 0.17 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3jrm h TYR 212 CO -0.09 0.14 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.44 3jrm h LEU 213 N -0.58 0.31 -0.96 2.82 3.38 -1.08 -0.62 115.31 118.57 3jrm h LEU 213 Ca -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3jrm h LEU 213 Cb 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3jrm h LEU 213 CO 0.04 0.42 -0.02 -0.07 0.09 0.00 0.00 178.44 178.89 3jrm h LEU 214 N 0.32 0.00 -0.90 1.67 3.38 -1.27 -3.38 115.31 115.14 3jrm h LEU 214 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3jrm h LEU 214 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3jrm h LEU 214 CO 0.01 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.16 3jrm n ASN 215 N -3.11 0.87 0.05 -0.43 3.02 -0.54 -4.84 115.26 110.28 3jrm n ASN 215 Ca 0.02 -1.02 0.04 0.00 -0.03 0.00 0.00 54.58 53.59 3jrm n ASN 215 Cb 0.39 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.01 3jrm n ASN 215 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3jrm h TRP 216 N 0.00 0.41 -0.33 3.10 5.08 -1.35 -2.29 115.95 120.58 3jrm h TRP 216 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jrm h TRP 216 Cb 0.09 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 26.09 3jrm h TRP 216 CO 0.00 0.28 0.21 0.87 -1.28 0.00 0.00 178.44 178.53 3jrm h LYS 217 N 0.43 0.43 0.00 0.12 1.57 -1.88 -1.96 116.57 115.28 3jrm h LYS 217 Ca 0.11 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3jrm h LYS 217 Cb -0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3jrm h LYS 217 CO -0.02 0.29 -0.53 0.87 -0.57 0.00 0.00 179.45 179.49 3jrm h LYS 218 N 0.44 0.00 -0.71 3.15 1.79 -1.63 -0.69 116.57 118.92 3jrm h LYS 218 Ca 0.12 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.63 3jrm h LYS 218 Cb -0.04 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.56 3jrm h LYS 218 CO -0.03 0.53 0.43 -0.07 -1.08 0.00 0.00 179.45 179.24 3jrm h LEU 219 N 0.00 0.68 0.08 2.94 3.38 -0.88 -2.44 115.31 119.07 3jrm h LEU 219 Ca -0.01 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3jrm h LEU 219 Cb 0.98 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3jrm h LEU 219 CO 0.07 0.46 -0.74 0.40 0.09 0.00 0.00 178.44 178.71 3jrm h ILE 220 N 0.82 1.43 -3.20 1.22 1.08 -1.23 -3.42 117.51 114.20 3jrm h ILE 220 Ca 0.30 -2.41 -0.63 0.00 -0.39 0.00 0.00 64.86 61.73 3jrm h ILE 220 Cb 0.10 3.05 -0.41 0.00 -3.07 0.00 0.00 36.82 36.48 3jrm h ILE 220 CO -0.14 0.63 -0.60 -1.10 -0.69 0.00 0.00 178.15 176.25 3jrm s GLN 221 N -2.37 2.22 0.00 2.37 -1.52 -0.28 -4.96 119.66 115.12 3jrm s GLN 221 Ca -0.18 -3.00 0.27 0.00 -1.95 0.00 0.00 55.36 50.49 3jrm s GLN 221 Cb 0.01 -3.34 1.50 0.00 -0.22 0.00 0.00 33.01 30.96 3jrm s GLN 221 CO 0.75 -1.21 1.94 -0.35 -0.25 0.00 0.00 175.29 176.17 3jrm n PRO 222 N 2.49 0.65 -3.82 2.91 -0.04 -0.92 -4.34 135.00 131.94 3jrm n PRO 222 Ca 0.13 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 3jrm n PRO 222 Cb 0.34 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 3jrm n PRO 222 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3jrm s ARG 223 N -2.24 0.24 -0.15 0.54 0.52 -1.26 -3.26 118.95 113.33 3jrm s ARG 223 Ca 0.34 0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 55.66 3jrm s ARG 223 Cb 0.18 0.11 0.07 0.00 0.52 0.00 0.00 34.95 35.83 3jrm s ARG 223 CO 0.35 -0.04 0.32 0.95 0.02 0.00 0.00 175.30 176.91 3jrm s THR 224 N -0.08 -0.37 -0.34 0.02 -4.23 -1.26 -5.14 115.64 104.24 3jrm s THR 224 Ca -0.02 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 3jrm s THR 224 Cb -0.02 -0.52 0.10 0.00 1.34 0.00 0.00 72.50 73.41 3jrm s THR 224 CO 0.00 0.09 0.07 -0.83 -0.54 0.00 0.00 174.62 173.41 3jrm s GLY 225 N 2.15 1.82 -0.58 3.99 0.00 -1.26 -5.07 107.32 108.37 3jrm s GLY 225 Ca -0.03 -2.43 -0.27 0.00 0.00 0.00 0.00 44.72 41.99 3jrm s GLY 225 CO -0.10 1.05 1.15 -1.59 0.00 0.00 0.00 173.10 173.61 3jrm s THR 226 N 0.97 4.08 -0.22 0.90 2.01 -1.26 -4.90 115.64 117.22 3jrm s THR 226 Ca 0.11 0.78 0.02 0.00 0.31 0.00 0.00 61.69 62.91 3jrm s THR 226 Cb -0.19 -4.70 0.28 0.00 0.01 0.00 0.00 72.50 67.90 3jrm s THR 226 CO -0.10 -1.31 1.34 0.47 -0.69 0.00 0.00 174.62 174.33 3jrm n ASP 227 N 8.27 3.27 -0.33 3.53 9.92 -1.26 -4.11 116.55 135.86 3jrm n ASP 227 Ca 0.07 -2.63 0.26 0.00 -0.53 0.00 0.00 54.79 51.96 3jrm n ASP 227 Cb 0.49 -0.63 0.56 0.00 -0.64 0.00 0.00 41.12 40.89 3jrm n ASP 227 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3jrm h HIS 228 N 0.50 0.54 0.00 1.24 3.86 -2.06 -2.34 115.15 116.89 3jrm h HIS 228 Ca 0.24 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3jrm h HIS 228 Cb 1.71 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 30.02 3jrm h HIS 228 CO 0.63 0.03 0.00 0.52 0.86 0.00 0.00 177.93 179.97 3jrm h MET 229 N 0.31 0.00 -6.58 2.45 2.86 -2.01 -3.44 114.93 108.51 3jrm h MET 229 Ca 0.60 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 57.55 3jrm h MET 229 Cb 1.69 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 33.12 3jrm h MET 229 CO -0.26 0.00 -0.82 0.71 1.06 0.00 0.00 176.91 177.60 3jrm s TYR 230 N -3.42 2.52 0.00 -0.22 2.02 -0.88 -5.27 117.35 112.09 3jrm s TYR 230 Ca 0.04 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 3jrm s TYR 230 Cb 0.09 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3jrm s TYR 230 CO 0.54 0.22 0.00 0.45 -1.57 0.00 0.00 175.55 175.18