#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b n SER 2 N 0.00 -0.85 -3.62 1.61 2.88 -1.26 -5.07 113.62 107.31 1x3b n SER 2 Ca 0.00 0.51 -0.29 0.00 -1.33 0.00 0.00 58.87 57.76 1x3b n SER 2 Cb 0.00 1.13 -0.14 0.00 -0.75 0.00 0.00 64.21 64.46 1x3b n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3b s SER 3 N -1.85 3.53 0.00 -3.46 0.01 -1.26 -5.10 113.70 105.57 1x3b s SER 3 Ca 0.00 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 55.22 1x3b s SER 3 Cb 0.00 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1x3b s SER 3 CO 0.00 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1x3b n GLY 4 N 4.28 5.77 5.00 3.44 0.00 -1.26 -4.91 105.19 117.51 1x3b n GLY 4 Ca 0.05 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1x3b n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x3b n SER 5 N 0.00 0.00 -0.31 1.61 2.88 -1.26 -4.58 113.62 111.97 1x3b n SER 5 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1x3b n SER 5 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1x3b n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x3b h SER 6 N 0.00 -1.75 -4.08 -3.46 0.02 -2.04 -3.47 113.55 98.77 1x3b h SER 6 Ca 0.00 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1x3b h SER 6 Cb 0.00 0.77 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1x3b h SER 6 CO 0.00 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.08 1x3b n GLY 7 N -1.23 1.38 0.00 -3.77 0.00 -1.26 -5.16 105.19 95.16 1x3b n GLY 7 Ca 0.01 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1x3b n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x3b n MET 8 N -1.92 1.90 -3.27 1.61 0.00 -1.26 -5.02 117.12 109.15 1x3b n MET 8 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.70 57.73 1x3b n MET 8 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1x3b n MET 8 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1x3b s GLY 9 N -0.04 -0.18 0.80 -5.12 0.00 -1.26 -5.02 107.32 96.50 1x3b s GLY 9 Ca 0.00 3.04 -0.13 0.00 0.00 0.00 0.00 44.72 47.63 1x3b s GLY 9 CO 0.00 3.46 1.16 -0.51 0.00 0.00 0.00 173.10 177.22 1x3b s THR 10 N 2.56 2.44 0.18 0.90 -4.23 -1.26 -3.87 115.64 112.36 1x3b s THR 10 Ca -0.01 0.18 -0.22 0.00 -1.18 0.00 0.00 61.69 60.46 1x3b s THR 10 Cb -0.07 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.31 1x3b s THR 10 CO -0.15 -0.15 1.40 0.55 -0.54 0.00 0.00 174.62 175.72 1x3b n VAL 11 N -3.35 -0.55 0.32 2.29 3.14 -1.26 0.20 118.33 119.12 1x3b n VAL 11 Ca 0.12 2.15 -0.17 0.00 -2.96 0.00 0.00 64.34 63.48 1x3b n VAL 11 Cb 0.51 -2.75 -0.09 0.00 -1.06 0.00 0.00 33.84 30.46 1x3b n VAL 11 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1x3b h MET 12 N 0.00 -0.73 -0.69 1.45 2.86 -1.90 -2.71 114.93 113.22 1x3b h MET 12 Ca 0.23 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 58.06 1x3b h MET 12 Cb 0.45 0.17 -0.11 0.00 0.06 0.00 0.00 31.60 32.17 1x3b h MET 12 CO -0.87 -0.49 0.10 -0.44 1.06 0.00 0.00 176.91 176.27 1x3b h ASP 13 N -0.76 -0.11 -1.10 1.22 3.32 -1.00 0.91 116.42 118.90 1x3b h ASP 13 Ca -0.08 0.15 0.31 0.00 0.02 0.00 0.00 57.03 57.43 1x3b h ASP 13 Cb 0.58 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.29 1x3b h ASP 13 CO 0.12 -0.07 0.75 0.58 -1.72 0.00 0.00 179.24 178.91 1x3b h VAL 14 N 0.21 0.46 0.19 -1.35 2.07 0.26 1.11 116.25 119.20 1x3b h VAL 14 Ca 0.38 -0.07 -0.27 0.00 0.82 0.00 0.00 66.70 67.56 1x3b h VAL 14 Cb 0.63 0.25 0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1x3b h VAL 14 CO -0.52 0.04 -1.22 -0.07 0.02 0.00 0.00 177.57 175.82 1x3b h LEU 15 N 0.19 0.63 -0.88 2.57 3.38 0.94 -2.85 115.31 119.28 1x3b h LEU 15 Ca 0.58 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1x3b h LEU 15 Cb 1.88 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.38 1x3b h LEU 15 CO -0.16 1.58 0.58 0.11 0.09 0.00 0.00 178.44 180.64 1x3b h LYS 16 N -0.12 1.14 0.06 1.13 1.57 0.24 -2.66 116.57 117.93 1x3b h LYS 16 Ca -0.22 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1x3b h LYS 16 Cb 1.91 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1x3b h LYS 16 CO 0.20 0.76 -0.03 0.78 -0.57 0.00 0.00 179.45 180.58 1x3b h GLY 17 N 1.18 -0.08 -4.88 3.86 0.00 0.89 -3.41 103.07 100.62 1x3b h GLY 17 Ca 0.33 0.03 -0.54 0.00 0.00 0.00 0.00 47.33 47.15 1x3b h GLY 17 CO -0.08 -0.03 0.85 -0.35 0.00 0.00 0.00 176.54 176.93 1x3b s ASP 18 N -5.25 6.84 0.15 0.19 -1.08 -1.00 -4.90 116.67 111.62 1x3b s ASP 18 Ca -0.14 2.11 -0.10 0.00 -0.52 0.00 0.00 52.55 53.90 1x3b s ASP 18 Cb 0.05 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.92 1x3b s ASP 18 CO 0.65 -0.73 1.49 -1.13 0.52 0.00 0.00 175.17 175.97 1x3b h ASN 19 N 7.92 1.00 -1.10 -0.34 -1.24 -1.80 -2.83 115.58 117.19 1x3b h ASN 19 Ca -0.38 -0.45 0.30 0.00 0.71 0.00 0.00 56.30 56.49 1x3b h ASN 19 Cb 1.18 -0.28 -0.08 0.00 0.73 0.00 0.00 38.32 39.86 1x3b h ASN 19 CO 0.91 1.25 0.73 0.03 -1.29 0.00 0.00 177.43 179.06 1x3b h ARG 20 N 0.78 0.25 -1.57 6.67 3.08 -1.90 0.22 114.38 121.91 1x3b h ARG 20 Ca 0.07 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 59.44 1x3b h ARG 20 Cb 0.95 -0.06 -0.35 0.00 0.08 0.00 0.00 29.97 30.59 1x3b h ARG 20 CO 0.09 0.17 0.07 1.19 -1.07 0.00 0.00 179.97 180.42 1x3b n PHE 21 N -4.51 3.17 -0.04 3.04 3.72 -1.07 -3.52 117.46 118.25 1x3b n PHE 21 Ca 0.26 -2.72 -0.02 0.00 -0.05 0.00 0.00 57.45 54.92 1x3b n PHE 21 Cb 1.02 -0.65 -0.01 0.00 -0.94 0.00 0.00 39.48 38.91 1x3b n PHE 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1x3b h SER 22 N 2.64 0.00 -0.54 4.37 4.64 -0.57 -3.26 113.55 120.83 1x3b h SER 22 Ca 0.44 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.91 1x3b h SER 22 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1x3b h SER 22 CO 1.13 0.42 0.69 0.24 -0.87 0.00 0.00 176.83 178.44 1x3b h MET 23 N -0.63 0.00 0.17 4.77 2.86 -1.85 0.26 114.93 120.52 1x3b h MET 23 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1x3b h MET 23 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1x3b h MET 23 CO 0.00 0.00 -0.08 1.25 1.06 0.00 0.00 176.91 179.14 1x3b h LEU 24 N 0.00 -0.20 -0.56 1.22 5.85 -1.89 -3.06 115.31 116.67 1x3b h LEU 24 Ca 0.25 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1x3b h LEU 24 Cb 1.64 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.61 1x3b h LEU 24 CO -0.00 0.27 -0.39 0.58 -0.34 0.00 0.00 178.44 178.56 1x3b h VAL 25 N -0.73 0.12 -0.97 1.05 2.07 -0.52 0.76 116.25 118.03 1x3b h VAL 25 Ca -0.02 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.80 1x3b h VAL 25 Cb 0.51 0.12 -0.15 0.00 -1.52 0.00 0.00 31.29 30.25 1x3b h VAL 25 CO 0.04 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.10 1x3b h ALA 26 N 0.75 1.77 -0.60 1.67 0.00 -1.53 1.46 119.26 122.77 1x3b h ALA 26 Ca 0.20 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1x3b h ALA 26 Cb 0.56 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1x3b h ALA 26 CO -0.67 -0.56 0.32 0.00 0.00 0.00 0.00 179.25 178.34 1x3b h ALA 27 N 1.84 0.77 0.43 0.00 0.00 0.60 0.15 119.26 123.06 1x3b h ALA 27 Ca 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1x3b h ALA 27 Cb 1.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x3b h ALA 27 CO -0.64 0.30 -0.21 0.82 0.00 0.00 0.00 179.25 179.52 1x3b h ILE 28 N 0.81 0.52 -0.61 0.00 2.04 0.29 0.19 117.51 120.75 1x3b h ILE 28 Ca 0.21 -0.39 0.13 0.00 1.00 0.00 0.00 64.86 65.80 1x3b h ILE 28 Cb 0.06 0.70 -0.10 0.00 -0.74 0.00 0.00 36.82 36.74 1x3b h ILE 28 CO -0.03 0.07 0.01 -0.61 0.00 0.00 0.00 178.15 177.58 1x3b h GLN 29 N -0.83 0.12 -0.32 2.37 4.15 0.01 1.07 115.11 121.69 1x3b h GLN 29 Ca -0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1x3b h GLN 29 Cb 0.55 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1x3b h GLN 29 CO 0.10 0.08 0.16 1.03 -1.93 0.00 0.00 178.83 178.26 1x3b h SER 30 N 0.12 0.41 -0.19 -0.69 0.87 -0.61 -2.03 113.55 111.43 1x3b h SER 30 Ca 0.32 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1x3b h SER 30 Cb 0.51 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1x3b h SER 30 CO -0.52 0.42 0.06 0.00 -0.53 0.00 0.00 176.83 176.26 1x3b h ALA 31 N 1.01 1.62 -0.89 6.23 0.00 0.13 -3.47 119.26 123.89 1x3b h ALA 31 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x3b h ALA 31 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x3b h ALA 31 CO -0.01 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1x3b n GLY 32 N -1.19 0.76 0.01 0.00 0.00 0.35 -4.86 105.19 100.27 1x3b n GLY 32 Ca 0.01 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.69 1x3b n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x3b n LEU 33 N -0.45 0.00 -0.24 0.99 4.77 -0.90 -4.61 117.00 116.55 1x3b n LEU 33 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1x3b n LEU 33 Cb 0.31 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1x3b n LEU 33 CO 0.00 0.05 0.61 0.74 -1.33 0.00 0.00 177.39 177.47 1x3b h THR 34 N 0.00 0.13 0.01 -5.08 2.02 -1.88 0.17 112.91 108.27 1x3b h THR 34 Ca -0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1x3b h THR 34 Cb 0.74 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1x3b h THR 34 CO 0.00 0.00 -0.32 -0.33 0.37 0.00 0.00 175.52 175.24 1x3b h GLU 35 N -0.13 -0.46 -0.62 6.66 5.08 -1.94 1.52 114.58 124.69 1x3b h GLU 35 Ca 0.25 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.77 1x3b h GLU 35 Cb 0.56 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.80 1x3b h GLU 35 CO -0.75 -0.31 -0.08 1.15 -1.00 0.00 0.00 179.01 178.02 1x3b h THR 36 N -0.48 0.43 0.00 1.13 2.02 -1.29 1.18 112.91 115.89 1x3b h THR 36 Ca 0.06 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1x3b h THR 36 Cb 0.56 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1x3b h THR 36 CO -0.26 0.01 0.00 -0.07 0.37 0.00 0.00 175.52 175.57 1x3b h LEU 37 N 0.05 0.00 -0.29 2.58 3.38 0.09 -2.91 115.31 118.21 1x3b h LEU 37 Ca 0.31 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.08 1x3b h LEU 37 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x3b h LEU 37 CO -0.59 0.00 -0.71 -1.13 0.09 0.00 0.00 178.44 176.10 1x3b h ASN 38 N 0.00 0.77 -3.73 -0.43 -0.73 1.10 -3.44 115.58 109.12 1x3b h ASN 38 Ca 0.00 -0.48 -0.50 0.00 1.87 0.00 0.00 56.30 57.18 1x3b h ASN 38 Cb 0.63 -0.23 0.01 0.00 0.27 0.00 0.00 38.32 39.00 1x3b h ASN 38 CO 0.00 1.25 0.45 -0.13 -0.37 0.00 0.00 177.43 178.63 1x3b s ARG 39 N -3.78 4.68 1.04 6.67 0.52 0.56 -5.00 118.95 123.64 1x3b s ARG 39 Ca -0.09 1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 56.62 1x3b s ARG 39 Cb 0.10 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 1x3b s ARG 39 CO 0.88 0.25 -0.71 -0.85 0.02 0.00 0.00 175.30 174.88 1x3b n GLU 40 N 1.56 -0.66 0.00 3.54 0.00 -1.26 -4.81 120.64 119.02 1x3b n GLU 40 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 57.16 56.97 1x3b n GLU 40 Cb 0.46 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.55 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x3b n GLY 41 N 2.76 0.35 3.43 -1.84 0.00 -1.25 -5.03 105.19 103.60 1x3b n GLY 41 Ca -0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 1x3b n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x3b s VAL 42 N -1.93 -0.01 -0.26 1.61 -7.23 -1.10 -3.96 120.40 107.52 1x3b s VAL 42 Ca 0.00 0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1x3b s VAL 42 Cb 0.00 -0.77 0.13 0.00 0.56 0.00 0.00 36.38 36.30 1x3b s VAL 42 CO 0.00 0.02 0.52 -0.31 -0.31 0.00 0.00 175.10 175.02 1x3b s TYR 43 N 1.40 -1.14 -0.47 2.82 2.02 -1.26 -4.25 117.35 116.48 1x3b s TYR 43 Ca -0.09 1.71 -0.24 0.00 -0.37 0.00 0.00 57.07 58.08 1x3b s TYR 43 Cb -0.07 0.47 0.03 0.00 -0.40 0.00 0.00 41.96 41.99 1x3b s TYR 43 CO -0.14 -0.66 0.87 0.99 -1.57 0.00 0.00 175.55 175.03 1x3b s THR 44 N 2.74 4.54 0.19 -0.71 2.01 -1.22 -3.70 115.64 119.49 1x3b s THR 44 Ca 0.04 0.54 0.09 0.00 0.31 0.00 0.00 61.69 62.67 1x3b s THR 44 Cb -0.13 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1x3b s THR 44 CO -0.17 -0.82 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.15 1x3b s VAL 45 N 3.58 3.14 -0.19 3.82 1.01 -1.21 0.13 120.40 130.68 1x3b s VAL 45 Ca 0.33 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.60 1x3b s VAL 45 Cb -0.11 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1x3b s VAL 45 CO 0.24 -0.13 -0.10 -0.36 0.00 0.00 0.00 175.10 174.75 1x3b s PHE 46 N -1.76 2.28 -0.28 5.22 0.40 -1.05 -1.88 117.98 120.91 1x3b s PHE 46 Ca 0.25 -1.48 -0.07 0.00 -0.60 0.00 0.00 56.93 55.03 1x3b s PHE 46 Cb -0.08 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 1x3b s PHE 46 CO 0.15 -0.72 0.08 0.00 0.70 0.00 0.00 175.22 175.43 1x3b s ALA 47 N 1.44 3.11 1.10 5.36 0.00 -1.23 -4.84 121.76 126.71 1x3b s ALA 47 Ca -0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 1x3b s ALA 47 Cb -0.16 -2.13 0.22 0.00 0.00 0.00 0.00 23.12 21.05 1x3b s ALA 47 CO -0.08 -0.73 1.00 -0.35 0.00 0.00 0.00 175.76 175.60 1x3b n PRO 48 N 4.90 -1.91 0.00 0.00 -0.04 -1.26 -1.38 135.00 135.31 1x3b n PRO 48 Ca -0.15 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1x3b n PRO 48 Cb 0.50 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1x3b n PRO 48 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x3b n THR 49 N -3.98 0.00 -0.03 0.52 -2.24 -1.02 -4.59 114.28 102.94 1x3b n THR 49 Ca 0.13 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.71 1x3b n THR 49 Cb 0.48 -1.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.19 1x3b n THR 49 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1x3b h ASN 50 N -0.39 0.23 0.95 3.42 -1.24 -1.94 -3.32 115.58 113.28 1x3b h ASN 50 Ca 0.00 -0.79 0.00 0.00 0.71 0.00 0.00 56.30 56.22 1x3b h ASN 50 Cb 0.00 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 38.98 1x3b h ASN 50 CO 0.00 1.50 0.00 -0.62 -1.29 0.00 0.00 177.43 177.02 1x3b n GLU 51 N -4.15 0.22 -0.02 6.67 1.02 -1.26 -2.71 120.64 120.41 1x3b n GLU 51 Ca -0.25 0.37 0.11 0.00 -0.02 0.00 0.00 57.16 57.37 1x3b n GLU 51 Cb 0.78 -1.86 0.52 0.00 -0.02 0.00 0.00 31.44 30.87 1x3b n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x3b h ALA 52 N 2.34 2.01 0.01 0.62 0.00 -1.83 -1.79 119.26 120.62 1x3b h ALA 52 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1x3b h ALA 52 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x3b h ALA 52 CO 0.00 -0.11 -0.13 0.74 0.00 0.00 0.00 179.25 179.75 1x3b h PHE 53 N 0.35 0.06 -0.24 0.00 -1.00 -1.70 -3.26 116.94 111.15 1x3b h PHE 53 Ca 0.22 -0.04 0.07 0.00 2.81 0.00 0.00 57.97 61.03 1x3b h PHE 53 Cb 0.42 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1x3b h PHE 53 CO -0.00 1.05 0.56 0.00 -1.61 0.00 0.00 178.31 178.31 1x3b h ARG 54 N -0.93 0.00 -0.06 1.51 3.08 -1.52 1.10 114.38 117.56 1x3b h ARG 54 Ca -0.03 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.78 1x3b h ARG 54 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.14 1x3b h ARG 54 CO 0.01 0.00 -0.92 0.00 -1.07 0.00 0.00 179.97 177.99 1x3b h ALA 55 N 1.10 0.25 -2.17 0.04 0.00 -1.38 -3.45 119.26 113.65 1x3b h ALA 55 Ca 0.11 -0.66 -0.59 0.00 0.00 0.00 0.00 54.91 53.77 1x3b h ALA 55 Cb 1.24 0.02 0.11 0.00 0.00 0.00 0.00 17.79 19.15 1x3b h ALA 55 CO -0.00 0.71 0.28 1.28 0.00 0.00 0.00 179.25 181.52 1x3b n LEU 56 N -3.87 2.43 -4.80 0.00 4.77 0.38 -4.95 117.00 110.96 1x3b n LEU 56 Ca -0.09 1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 56.78 1x3b n LEU 56 Cb 0.82 -1.36 0.10 0.00 -2.33 0.00 0.00 43.42 40.65 1x3b n LEU 56 CO 0.54 -1.05 0.71 -2.16 -1.33 0.00 0.00 177.39 174.11 1x3b s PRO 57 N -1.56 1.87 0.00 3.23 0.04 -1.26 -4.74 135.00 132.58 1x3b s PRO 57 Ca 0.59 0.55 0.24 0.00 0.04 0.00 0.00 61.00 62.42 1x3b s PRO 57 Cb -0.66 -1.90 1.43 0.00 0.04 0.00 0.00 34.50 33.40 1x3b s PRO 57 CO 0.60 -1.75 1.79 -0.35 0.04 0.00 0.00 177.00 177.33 1x3b n PRO 58 N -3.51 0.74 -0.02 0.56 -0.04 -1.26 0.02 135.00 131.49 1x3b n PRO 58 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1x3b n PRO 58 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 1x3b n PRO 58 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x3b n ARG 59 N -1.00 0.73 -0.11 0.54 1.74 -1.26 -3.90 116.66 113.40 1x3b n ARG 59 Ca 0.18 0.27 -0.24 0.00 -0.77 0.00 0.00 57.85 57.29 1x3b n ARG 59 Cb 0.08 -1.68 -0.11 0.00 -1.02 0.00 0.00 32.46 29.73 1x3b n ARG 59 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1x3b n GLU 60 N -3.55 0.62 0.07 5.56 4.07 -1.13 -3.90 120.64 122.37 1x3b n GLU 60 Ca -0.34 0.34 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1x3b n GLU 60 Cb 1.01 -1.60 -0.05 0.00 -0.06 0.00 0.00 31.44 30.73 1x3b n GLU 60 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1x3b h ARG 61 N -0.69 -0.39 -0.33 5.31 2.43 -0.66 -0.74 114.38 119.31 1x3b h ARG 61 Ca -0.54 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1x3b h ARG 61 Cb 1.63 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 31.21 1x3b h ARG 61 CO -0.24 -0.26 -0.40 1.03 -1.51 0.00 0.00 179.97 178.60 1x3b h SER 62 N -0.40 -1.34 -0.89 -3.80 0.87 -1.70 -0.25 113.55 106.04 1x3b h SER 62 Ca -0.01 0.18 0.14 0.00 -1.23 0.00 0.00 61.79 60.87 1x3b h SER 62 Cb 0.40 0.55 -0.14 0.00 -0.44 0.00 0.00 62.40 62.77 1x3b h SER 62 CO -0.14 -0.27 -0.35 0.54 -0.53 0.00 0.00 176.83 176.07 1x3b n ARG 63 N -4.59 -0.21 0.09 2.24 3.00 -1.11 0.19 116.66 116.27 1x3b n ARG 63 Ca -0.02 1.37 -0.16 0.00 -0.01 0.00 0.00 57.85 59.03 1x3b n ARG 63 Cb 0.24 -2.03 -0.10 0.00 0.00 0.00 0.00 32.46 30.57 1x3b n ARG 63 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1x3b h LEU 64 N 0.00 -1.61 -2.38 0.55 3.38 0.46 0.95 115.31 116.65 1x3b h LEU 64 Ca 0.31 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1x3b h LEU 64 Cb 0.53 0.60 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1x3b h LEU 64 CO -0.88 -0.55 0.00 -0.07 0.09 0.00 0.00 178.44 177.03 1x3b h LEU 65 N -0.73 0.00 0.00 1.67 3.38 0.98 -3.35 115.31 117.27 1x3b h LEU 65 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x3b h LEU 65 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1x3b h LEU 65 CO -0.31 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.83 1x3b n GLY 66 N -1.05 1.00 3.72 0.83 0.00 0.51 -4.91 105.19 105.29 1x3b n GLY 66 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1x3b n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x3b s ASP 67 N -1.00 6.41 -0.05 1.61 2.15 0.27 -4.90 116.67 121.17 1x3b s ASP 67 Ca 0.00 2.82 -0.22 0.00 0.43 0.00 0.00 52.55 55.58 1x3b s ASP 67 Cb 0.00 -2.59 -0.31 0.00 -0.30 0.00 0.00 42.92 39.71 1x3b s ASP 67 CO 0.00 -0.96 0.90 0.00 -0.17 0.00 0.00 175.17 174.94 1x3b h ALA 68 N 7.05 -0.09 -0.56 3.66 0.00 -1.83 -2.79 119.26 124.70 1x3b h ALA 68 Ca -0.43 -0.69 0.09 0.00 0.00 0.00 0.00 54.91 53.88 1x3b h ALA 68 Cb 1.20 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 1x3b h ALA 68 CO 0.95 0.37 -0.42 0.87 0.00 0.00 0.00 179.25 181.02 1x3b h LYS 69 N -0.38 -0.22 -0.15 0.00 1.79 -1.94 0.80 116.57 116.47 1x3b h LYS 69 Ca -0.14 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1x3b h LYS 69 Cb 1.62 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.31 1x3b h LYS 69 CO 0.15 -0.15 -0.08 0.93 -1.08 0.00 0.00 179.45 179.22 1x3b h GLU 70 N -0.23 0.22 0.00 3.15 5.08 -1.93 -1.61 114.58 119.26 1x3b h GLU 70 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1x3b h GLU 70 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1x3b h GLU 70 CO -0.67 0.32 0.00 -0.11 -1.00 0.00 0.00 179.01 177.55 1x3b n LEU 71 N -4.32 0.00 -0.38 1.33 0.00 0.23 -2.16 117.00 111.69 1x3b n LEU 71 Ca -0.01 0.94 0.31 0.00 0.00 0.00 0.00 56.01 57.24 1x3b n LEU 71 Cb 0.23 -0.50 0.60 0.00 0.00 0.00 0.00 43.42 43.75 1x3b n LEU 71 CO 0.37 -0.50 1.24 0.00 0.00 0.00 0.00 177.39 178.50 1x3b h ALA 72 N -2.00 2.56 -0.15 1.96 0.00 -0.13 0.49 119.26 121.99 1x3b h ALA 72 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1x3b h ALA 72 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1x3b h ALA 72 CO 0.00 -1.06 -0.26 -0.97 0.00 0.00 0.00 179.25 176.96 1x3b h ASN 73 N 0.22 -0.82 -0.16 0.00 -0.73 -1.07 1.53 115.58 114.55 1x3b h ASN 73 Ca 0.70 0.13 -0.00 0.00 1.87 0.00 0.00 56.30 59.00 1x3b h ASN 73 Cb 2.08 0.36 -0.01 0.00 0.27 0.00 0.00 38.32 41.03 1x3b h ASN 73 CO -0.32 -0.31 0.10 0.40 -0.37 0.00 0.00 177.43 176.93 1x3b h ILE 74 N -0.32 1.07 -0.54 2.57 1.08 0.46 -1.65 117.51 120.16 1x3b h ILE 74 Ca 0.11 -0.16 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 1x3b h ILE 74 Cb 0.48 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 1x3b h ILE 74 CO -0.34 0.06 0.22 -0.07 -0.69 0.00 0.00 178.15 177.34 1x3b h LEU 75 N 0.19 0.26 -0.57 1.44 3.38 -0.35 0.15 115.31 119.81 1x3b h LEU 75 Ca 0.06 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1x3b h LEU 75 Cb 0.02 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1x3b h LEU 75 CO -0.01 0.17 0.15 0.11 0.09 0.00 0.00 178.44 178.95 1x3b h LYS 76 N 0.42 0.28 0.00 1.13 1.57 0.26 0.66 116.57 120.91 1x3b h LYS 76 Ca 0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1x3b h LYS 76 Cb 0.26 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1x3b h LYS 76 CO -0.24 0.19 0.00 -0.92 -0.57 0.00 0.00 179.45 177.91 1x3b h TYR 77 N 0.29 0.00 0.00 -1.35 3.20 -0.23 -2.19 116.97 116.69 1x3b h TYR 77 Ca 0.29 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1x3b h TYR 77 Cb 0.40 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1x3b h TYR 77 CO -0.22 0.00 -1.06 0.45 -1.64 0.00 0.00 178.16 175.70 1x3b h HIS 78 N 0.00 0.00 -2.93 -3.82 3.86 0.28 -3.46 115.15 109.07 1x3b h HIS 78 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1x3b h HIS 78 Cb 0.45 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.86 1x3b h HIS 78 CO 0.00 0.10 -0.52 0.42 0.86 0.00 0.00 177.93 178.79 1x3b s ILE 79 N -3.29 5.21 0.55 2.45 1.01 0.16 -2.54 121.20 124.75 1x3b s ILE 79 Ca -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1x3b s ILE 79 Cb 0.09 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 39.11 1x3b s ILE 79 CO 0.79 0.23 0.30 -0.83 0.00 0.00 0.00 174.94 175.43 1x3b s GLY 80 N -2.18 2.58 -0.16 6.18 0.00 0.36 -3.66 107.32 110.44 1x3b s GLY 80 Ca 0.30 -0.89 0.17 0.00 0.00 0.00 0.00 44.72 44.30 1x3b s GLY 80 CO 0.22 -2.03 1.29 1.34 0.00 0.00 0.00 173.10 173.92 1x3b n ASP 81 N -1.66 3.02 -3.55 1.64 2.03 -0.12 -3.71 116.55 114.21 1x3b n ASP 81 Ca -0.07 -3.12 -0.07 0.00 0.52 0.00 0.00 54.79 52.04 1x3b n ASP 81 Cb 0.65 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.54 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1x3b s GLU 82 N -2.89 0.83 -0.42 -0.67 -1.05 -1.26 -4.91 118.70 108.33 1x3b s GLU 82 Ca 0.37 -0.34 -0.20 0.00 -0.15 0.00 0.00 54.97 54.65 1x3b s GLU 82 Cb 0.32 0.36 0.02 0.00 -0.44 0.00 0.00 34.13 34.39 1x3b s GLU 82 CO 0.05 -0.37 0.61 0.42 0.95 0.00 0.00 175.26 176.93 1x3b s ILE 83 N -3.08 4.87 -0.20 1.83 -1.09 -1.26 -3.38 121.20 118.89 1x3b s ILE 83 Ca 0.07 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.62 1x3b s ILE 83 Cb -0.01 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1x3b s ILE 83 CO -0.07 -0.52 -0.13 -0.22 -1.23 0.00 0.00 174.94 172.77 1x3b s LEU 84 N 2.72 2.48 0.07 2.97 0.20 -1.26 -5.08 118.68 120.77 1x3b s LEU 84 Ca 0.22 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.49 1x3b s LEU 84 Cb -0.14 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1x3b s LEU 84 CO 0.18 -0.01 -0.05 0.68 -0.29 0.00 0.00 176.35 176.85 1x3b s VAL 85 N 1.37 0.50 -0.84 1.68 -7.23 -1.26 -4.96 120.40 109.66 1x3b s VAL 85 Ca 0.05 -1.77 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 1x3b s VAL 85 Cb -0.14 -1.47 -0.12 0.00 0.56 0.00 0.00 36.38 35.22 1x3b s VAL 85 CO -0.09 -0.85 1.99 -1.54 -0.31 0.00 0.00 175.10 174.30 1x3b n SER 86 N 0.22 3.22 -0.00 4.85 3.41 -1.26 -4.22 113.62 119.84 1x3b n SER 86 Ca -0.14 -2.59 -0.01 0.00 -0.26 0.00 0.00 58.87 55.86 1x3b n SER 86 Cb 0.60 -1.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1x3b n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3b n GLY 87 N 4.30 -0.19 2.51 5.00 0.00 -1.26 -4.91 105.19 110.64 1x3b n GLY 87 Ca 0.48 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 1x3b n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3b n GLY 88 N 2.63 4.47 0.00 -0.02 0.00 -1.26 -5.03 105.19 105.98 1x3b n GLY 88 Ca -0.02 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.69 1x3b n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x3b n ILE 89 N 0.40 0.00 0.00 -0.61 2.08 -1.26 -5.06 119.36 114.90 1x3b n ILE 89 Ca 0.28 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.59 1x3b n ILE 89 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 1x3b n ILE 89 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x3b n GLY 90 N 4.94 -0.13 2.05 7.39 0.00 -1.26 -4.98 105.19 113.21 1x3b n GLY 90 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1x3b n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3b n ALA 91 N 0.00 1.70 -3.20 4.61 0.00 -1.26 -4.97 120.51 117.38 1x3b n ALA 91 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1x3b n ALA 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1x3b n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x3b s LEU 92 N -6.01 1.01 -0.01 0.00 1.98 -1.26 -4.10 118.68 110.28 1x3b s LEU 92 Ca 0.00 0.14 0.02 0.00 -2.89 0.00 0.00 54.13 51.39 1x3b s LEU 92 Cb 0.00 1.08 -0.00 0.00 0.66 0.00 0.00 46.19 47.93 1x3b s LEU 92 CO 0.00 -0.35 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.36 1x3b s VAL 93 N -1.01 0.48 -0.33 1.68 1.01 0.14 -4.99 120.40 117.40 1x3b s VAL 93 Ca -0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1x3b s VAL 93 Cb -0.05 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1x3b s VAL 93 CO 0.03 0.15 0.09 -0.13 0.00 0.00 0.00 175.10 175.24 1x3b s ARG 94 N 0.03 2.72 -0.28 2.72 0.52 -1.26 -0.71 118.95 122.69 1x3b s ARG 94 Ca 0.00 -1.11 -0.17 0.00 -0.52 0.00 0.00 55.73 53.93 1x3b s ARG 94 Cb -0.04 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1x3b s ARG 94 CO -0.00 -0.61 0.48 -1.17 0.02 0.00 0.00 175.30 174.02 1x3b s LEU 95 N 1.42 4.11 -0.34 2.53 0.20 0.25 -4.90 118.68 121.94 1x3b s LEU 95 Ca -0.01 0.35 -0.29 0.00 0.69 0.00 0.00 54.13 54.87 1x3b s LEU 95 Cb -0.19 -2.59 -0.01 0.00 -0.43 0.00 0.00 46.19 42.98 1x3b s LEU 95 CO 0.02 -0.30 1.59 -0.75 -0.29 0.00 0.00 176.35 176.63 1x3b s LYS 96 N 2.27 3.55 0.84 1.98 2.20 -1.26 0.18 119.74 129.50 1x3b s LYS 96 Ca 0.19 1.29 -0.10 0.00 -0.36 0.00 0.00 55.97 56.98 1x3b s LYS 96 Cb -0.16 -4.08 0.19 0.00 -1.51 0.00 0.00 37.83 32.27 1x3b s LYS 96 CO 0.10 -1.60 1.15 -1.13 -0.36 0.00 0.00 175.35 173.52 1x3b n SER 97 N 9.23 0.50 -0.09 1.43 3.41 -1.24 -0.94 113.62 125.92 1x3b n SER 97 Ca 0.19 -1.67 -0.23 0.00 -0.26 0.00 0.00 58.87 56.90 1x3b n SER 97 Cb 0.47 -0.84 -0.12 0.00 -0.26 0.00 0.00 64.21 63.46 1x3b n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x3b n LEU 98 N 0.00 2.21 -0.47 1.04 4.77 -1.24 -4.13 117.00 119.19 1x3b n LEU 98 Ca 0.16 0.28 0.42 0.00 -0.03 0.00 0.00 56.01 56.84 1x3b n LEU 98 Cb 0.55 -0.96 0.78 0.00 -2.33 0.00 0.00 43.42 41.46 1x3b n LEU 98 CO 0.39 0.57 1.39 -0.61 -1.33 0.00 0.00 177.39 177.80 1x3b h GLN 99 N -0.61 0.00 0.00 3.23 4.15 -1.86 -3.44 115.11 116.58 1x3b h GLN 99 Ca -0.48 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1x3b h GLN 99 Cb 1.63 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.32 1x3b h GLN 99 CO -0.17 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.14 1x3b n GLY 100 N -1.83 3.72 3.71 2.39 0.00 -1.26 -4.99 105.19 106.92 1x3b n GLY 100 Ca 0.33 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1x3b n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 101 N -0.01 7.27 0.20 1.61 1.01 -1.26 -4.75 116.67 120.73 1x3b s ASP 101 Ca 0.00 1.74 -0.30 0.00 0.71 0.00 0.00 52.55 54.70 1x3b s ASP 101 Cb 0.00 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 1x3b s ASP 101 CO 0.00 -0.35 1.16 -0.54 0.21 0.00 0.00 175.17 175.65 1x3b s LYS 102 N 1.22 4.53 -0.06 8.23 3.01 -1.26 -3.68 119.74 131.73 1x3b s LYS 102 Ca 0.53 1.83 -0.24 0.00 -1.01 0.00 0.00 55.97 57.09 1x3b s LYS 102 Cb -0.23 -3.24 -0.04 0.00 -1.01 0.00 0.00 37.83 33.32 1x3b s LYS 102 CO 0.27 -0.01 0.73 -0.51 0.51 0.00 0.00 175.35 176.33 1x3b s LEU 103 N -0.44 4.32 -0.11 3.17 1.43 0.49 -4.85 118.68 122.69 1x3b s LEU 103 Ca 0.51 1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 54.65 1x3b s LEU 103 Cb -0.32 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1x3b s LEU 103 CO 0.37 -0.14 0.49 -0.70 0.23 0.00 0.00 176.35 176.61 1x3b s GLU 104 N 0.86 4.34 -0.05 1.70 2.12 -1.26 0.86 118.70 127.27 1x3b s GLU 104 Ca 0.39 0.48 -0.02 0.00 0.36 0.00 0.00 54.97 56.18 1x3b s GLU 104 Cb -0.18 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.81 1x3b s GLU 104 CO 0.19 0.16 0.11 0.08 -0.54 0.00 0.00 175.26 175.26 1x3b s VAL 105 N 0.61 -0.05 0.20 3.70 1.01 0.11 -1.14 120.40 124.84 1x3b s VAL 105 Ca 0.27 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1x3b s VAL 105 Cb -0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1x3b s VAL 105 CO 0.11 0.07 0.12 -0.94 0.00 0.00 0.00 175.10 174.46 1x3b s SER 106 N 1.09 0.31 -0.20 3.32 1.04 -1.17 0.27 113.70 118.37 1x3b s SER 106 Ca -0.09 -1.37 -0.00 0.00 0.48 0.00 0.00 55.95 54.97 1x3b s SER 106 Cb -0.11 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.40 1x3b s SER 106 CO -0.05 -0.81 -0.04 -0.22 0.98 0.00 0.00 173.24 173.10 1x3b s LEU 107 N -3.17 1.93 -0.00 2.42 2.96 -1.26 -2.91 118.68 118.65 1x3b s LEU 107 Ca 0.37 -0.89 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1x3b s LEU 107 Cb 0.07 -0.98 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 1x3b s LEU 107 CO 0.11 -0.22 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.13 1x3b s LYS 108 N 1.57 0.29 -1.60 1.98 2.20 -0.60 -4.75 119.74 118.82 1x3b s LYS 108 Ca -0.02 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1x3b s LYS 108 Cb -0.17 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.88 1x3b s LYS 108 CO -0.07 0.07 0.00 0.09 -0.36 0.00 0.00 175.35 175.08 1x3b n ASN 109 N 2.96 -4.95 -0.09 1.43 4.13 -1.26 0.13 115.26 117.61 1x3b n ASN 109 Ca -0.13 0.37 -0.01 0.00 1.68 0.00 0.00 54.58 56.49 1x3b n ASN 109 Cb 0.59 -4.14 -0.01 0.00 -1.54 0.00 0.00 39.78 34.69 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1x3b n ASN 110 N -1.00 -3.46 -4.66 6.41 2.85 -1.26 -5.01 115.26 109.13 1x3b n ASN 110 Ca -0.15 0.03 -0.35 0.00 -0.11 0.00 0.00 54.58 54.00 1x3b n ASN 110 Cb 0.58 -1.07 -0.10 0.00 1.24 0.00 0.00 39.78 40.43 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1x3b s VAL 111 N -1.94 4.18 -0.07 3.44 1.01 0.35 -5.11 120.40 122.27 1x3b s VAL 111 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1x3b s VAL 111 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1x3b s VAL 111 CO 0.00 0.60 0.22 -0.69 0.00 0.00 0.00 175.10 175.23 1x3b s VAL 112 N -0.81 5.38 0.03 2.92 1.01 -1.26 -1.56 120.40 126.10 1x3b s VAL 112 Ca 0.12 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1x3b s VAL 112 Cb -0.11 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1x3b s VAL 112 CO 0.02 0.55 -0.06 -0.44 0.00 0.00 0.00 175.10 175.18 1x3b s SER 113 N -1.21 0.59 -0.27 3.32 0.01 -1.15 -2.78 113.70 112.23 1x3b s SER 113 Ca 0.20 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 1x3b s SER 113 Cb -0.13 0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.22 1x3b s SER 113 CO 0.09 -0.18 0.07 0.54 0.41 0.00 0.00 173.24 174.16 1x3b s VAL 114 N -1.15 0.76 -0.45 3.43 0.11 -0.21 -3.01 120.40 119.87 1x3b s VAL 114 Ca -0.10 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.87 1x3b s VAL 114 Cb -0.08 -1.44 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1x3b s VAL 114 CO -0.00 -0.49 0.00 0.59 -3.33 0.00 0.00 175.10 171.87 1x3b n ASN 115 N 4.92 -2.47 -0.34 3.54 3.02 -0.29 -2.65 115.26 120.98 1x3b n ASN 115 Ca -0.05 0.02 -0.03 0.00 -0.03 0.00 0.00 54.58 54.48 1x3b n ASN 115 Cb 0.44 -1.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.03 1x3b n ASN 115 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x3b n LYS 116 N -1.76 -0.26 -4.93 3.52 5.02 -1.26 -5.04 118.16 113.45 1x3b n LYS 116 Ca -0.06 0.35 -0.31 0.00 -2.02 0.00 0.00 58.31 56.27 1x3b n LYS 116 Cb 0.47 -4.02 -0.14 0.00 -0.02 0.00 0.00 35.03 31.32 1x3b n LYS 116 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x3b s GLU 117 N -3.43 2.13 0.15 1.97 0.41 -1.09 -5.11 118.70 113.73 1x3b s GLU 117 Ca 0.00 -0.93 -0.30 0.00 -0.41 0.00 0.00 54.97 53.33 1x3b s GLU 117 Cb 0.00 -2.15 -0.07 0.00 -1.78 0.00 0.00 34.13 30.13 1x3b s GLU 117 CO 0.00 0.56 1.13 -1.25 -0.49 0.00 0.00 175.26 175.21 1x3b s PRO 118 N -1.02 4.54 0.24 0.39 0.04 -1.26 -1.05 135.00 136.88 1x3b s PRO 118 Ca 0.12 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 1x3b s PRO 118 Cb -0.10 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 1x3b s PRO 118 CO 0.02 -0.03 0.56 0.08 0.04 0.00 0.00 177.00 177.67 1x3b s VAL 119 N 0.13 4.93 -0.01 -0.36 1.01 -1.12 -3.06 120.40 121.92 1x3b s VAL 119 Ca 0.52 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.96 1x3b s VAL 119 Cb -0.30 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1x3b s VAL 119 CO 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 175.10 175.34 1x3b h ALA 120 N 2.46 0.00 -2.11 5.51 0.00 0.29 -3.44 119.26 121.96 1x3b h ALA 120 Ca -0.47 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 53.99 1x3b h ALA 120 Cb 1.17 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.63 1x3b h ALA 120 CO 0.69 0.00 -0.76 -1.21 0.00 0.00 0.00 179.25 177.96 1x3b s GLU 121 N -1.06 0.69 1.07 0.00 0.41 -0.94 -4.99 118.70 113.88 1x3b s GLU 121 Ca -0.00 -1.20 -0.17 0.00 -0.41 0.00 0.00 54.97 53.18 1x3b s GLU 121 Cb 0.00 -0.94 0.24 0.00 -1.78 0.00 0.00 34.13 31.65 1x3b s GLU 121 CO 0.00 -1.24 1.22 -1.25 -0.49 0.00 0.00 175.26 173.49 1x3b s PRO 122 N 1.07 -0.21 -0.35 0.39 0.04 -1.26 -3.18 135.00 131.50 1x3b s PRO 122 Ca 0.21 -0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.01 1x3b s PRO 122 Cb -0.13 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1x3b s PRO 122 CO -0.04 -3.01 0.31 -3.47 0.04 0.00 0.00 177.00 170.82 1x3b n ASP 123 N -4.23 -3.74 -4.09 6.66 2.03 -1.23 -4.93 116.55 107.02 1x3b n ASP 123 Ca 0.14 -0.21 -0.36 0.00 0.52 0.00 0.00 54.79 54.89 1x3b n ASP 123 Cb 0.59 -2.25 -0.11 0.00 -0.72 0.00 0.00 41.12 38.64 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1x3b s ILE 124 N -3.11 3.47 0.16 5.18 1.01 -0.56 -4.98 121.20 122.37 1x3b s ILE 124 Ca 0.13 -2.75 -0.32 0.00 0.00 0.00 0.00 60.65 57.72 1x3b s ILE 124 Cb -0.02 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 39.05 1x3b s ILE 124 CO 0.26 -0.82 1.54 -0.04 0.00 0.00 0.00 174.94 175.89 1x3b s MET 125 N 0.25 4.23 0.00 2.79 -1.94 -1.26 -1.23 119.30 122.13 1x3b s MET 125 Ca 0.15 2.32 0.00 0.00 -1.71 0.00 0.00 55.69 56.45 1x3b s MET 125 Cb -0.21 -3.17 0.00 0.00 2.01 0.00 0.00 34.83 33.46 1x3b s MET 125 CO -0.03 -0.58 0.00 0.00 -0.01 0.00 0.00 175.02 174.39 1x3b n ALA 126 N 3.96 0.00 0.07 3.03 0.00 0.01 -4.95 120.51 122.64 1x3b n ALA 126 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 1x3b n ALA 126 Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.70 1x3b n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x3b h THR 127 N 0.45 1.39 -0.33 0.00 1.35 -1.89 -3.40 112.91 110.48 1x3b h THR 127 Ca 0.00 -3.03 -0.25 0.00 -0.55 0.00 0.00 66.41 62.58 1x3b h THR 127 Cb 0.00 2.83 -0.25 0.00 -1.73 0.00 0.00 68.15 69.00 1x3b h THR 127 CO 0.00 0.86 -0.66 -0.46 -0.25 0.00 0.00 175.52 175.00 1x3b n ASN 128 N -3.43 -0.47 0.00 5.36 2.04 -1.26 -4.98 115.26 112.52 1x3b n ASN 128 Ca -0.10 -2.43 0.00 0.00 -0.44 0.00 0.00 54.58 51.62 1x3b n ASN 128 Cb 1.01 0.34 0.00 0.00 -2.53 0.00 0.00 39.78 38.61 1x3b n ASN 128 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x3b n GLY 129 N -0.64 -1.32 3.32 4.83 0.00 -1.25 -2.73 105.19 107.41 1x3b n GLY 129 Ca -0.01 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1x3b n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3b s VAL 130 N -3.00 0.58 -0.01 1.61 0.11 -1.24 -0.81 120.40 117.64 1x3b s VAL 130 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1x3b s VAL 130 Cb 0.00 -2.65 0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1x3b s VAL 130 CO 0.00 0.00 0.25 -0.69 -3.33 0.00 0.00 175.10 171.33 1x3b s VAL 131 N -3.73 0.06 -0.27 2.04 1.01 -0.37 -3.35 120.40 115.78 1x3b s VAL 131 Ca 0.38 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1x3b s VAL 131 Cb 0.08 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 36.01 1x3b s VAL 131 CO 0.14 -0.28 0.11 -1.00 0.00 0.00 0.00 175.10 174.07 1x3b s HIS 132 N -1.25 0.66 0.21 5.22 3.76 -0.79 -1.49 115.29 121.60 1x3b s HIS 132 Ca -0.13 -1.00 -0.32 0.00 -0.15 0.00 0.00 55.06 53.46 1x3b s HIS 132 Cb -0.06 -1.06 -0.12 0.00 1.11 0.00 0.00 32.58 32.45 1x3b s HIS 132 CO 0.03 -0.79 1.69 0.08 -0.85 0.00 0.00 174.74 174.90 1x3b s VAL 133 N 1.98 2.14 0.35 -0.90 1.01 -1.19 -3.48 120.40 120.31 1x3b s VAL 133 Ca 0.08 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1x3b s VAL 133 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1x3b s VAL 133 CO -0.29 0.01 0.29 0.27 0.00 0.00 0.00 175.10 175.38 1x3b s ILE 134 N 1.09 3.32 -1.78 2.22 -4.36 -0.48 0.24 121.20 121.46 1x3b s ILE 134 Ca 0.73 -1.40 0.24 0.00 -0.26 0.00 0.00 60.65 59.96 1x3b s ILE 134 Cb -0.49 -3.13 0.05 0.00 1.25 0.00 0.00 42.46 40.14 1x3b s ILE 134 CO 0.33 -0.14 1.23 0.35 0.24 0.00 0.00 174.94 176.94 1x3b n THR 135 N -1.38 0.00 -3.52 8.37 -2.24 -1.17 -2.43 114.28 111.91 1x3b n THR 135 Ca -0.01 -0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 1x3b n THR 135 Cb 0.60 0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 1x3b n THR 135 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1x3b s ASN 136 N -2.57 -0.56 0.11 3.42 -0.87 -1.26 -4.61 114.94 108.60 1x3b s ASN 136 Ca 0.19 0.50 -0.31 0.00 -1.57 0.00 0.00 52.86 51.66 1x3b s ASN 136 Cb 0.18 0.48 -0.08 0.00 -0.02 0.00 0.00 41.25 41.81 1x3b s ASN 136 CO 0.60 -0.60 1.49 -0.69 -2.57 0.00 0.00 177.10 175.32 1x3b s VAL 137 N -1.67 3.08 0.97 1.60 1.01 -1.26 -4.77 120.40 119.36 1x3b s VAL 137 Ca -0.06 0.73 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1x3b s VAL 137 Cb -0.00 -3.47 0.17 0.00 0.00 0.00 0.00 36.38 33.08 1x3b s VAL 137 CO 0.04 0.04 1.09 -0.76 0.00 0.00 0.00 175.10 175.51 1x3b s LEU 138 N 1.47 1.82 -0.07 3.92 1.43 -1.26 -5.07 118.68 120.91 1x3b s LEU 138 Ca 0.68 1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.06 1x3b s LEU 138 Cb -0.39 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.26 1x3b s LEU 138 CO 0.30 -3.02 0.17 -1.10 0.23 0.00 0.00 176.35 172.94 1x3b s GLN 139 N -4.92 0.18 0.64 1.70 -0.21 -1.26 -5.07 119.66 110.72 1x3b s GLN 139 Ca 0.65 0.27 -0.13 0.00 0.02 0.00 0.00 55.36 56.16 1x3b s GLN 139 Cb -0.19 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 33.85 1x3b s GLN 139 CO 0.58 -0.05 1.05 -1.25 -2.12 0.00 0.00 175.29 173.50 1x3b s PRO 140 N 0.31 3.17 0.40 2.91 0.04 -1.26 -4.98 135.00 135.60 1x3b s PRO 140 Ca -0.02 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 1x3b s PRO 140 Cb -0.03 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1x3b s PRO 140 CO -0.01 -0.92 1.20 -1.13 0.04 0.00 0.00 177.00 176.18 1x3b n SER 141 N -2.56 2.24 0.00 6.66 3.41 -1.26 -4.97 113.62 117.13 1x3b n SER 141 Ca 0.08 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1x3b n SER 141 Cb 0.53 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1x3b n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3b n GLY 142 N 0.91 1.23 3.56 5.00 0.00 -1.26 -5.10 105.19 109.53 1x3b n GLY 142 Ca 0.07 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1x3b n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3b s PRO 143 N -2.00 2.98 -0.72 1.61 0.04 -1.26 -4.92 135.00 130.73 1x3b s PRO 143 Ca 0.00 0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.32 1x3b s PRO 143 Cb 0.00 -4.25 0.18 0.00 0.04 0.00 0.00 34.50 30.46 1x3b s PRO 143 CO 0.00 -2.34 0.53 0.45 0.04 0.00 0.00 177.00 175.68 1x3b s SER 144 N 5.67 5.08 0.28 6.66 0.15 -1.26 -4.74 113.70 125.54 1x3b s SER 144 Ca 0.52 -3.66 0.00 0.00 0.70 0.00 0.00 55.95 53.51 1x3b s SER 144 Cb -0.11 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1x3b s SER 144 CO 0.19 -0.14 0.00 -1.20 1.20 0.00 0.00 173.24 173.29 1x3b n SER 145 N 2.29 -1.08 0.00 5.45 7.64 -1.26 -5.31 113.62 121.35 1x3b n SER 145 Ca 0.18 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1x3b n SER 145 Cb 0.35 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64