#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b s SER 2 N 0.00 -0.80 -0.10 1.61 0.15 -1.26 -5.16 113.70 108.15 1x3b s SER 2 Ca 0.00 1.01 -0.32 0.00 0.70 0.00 0.00 55.95 57.34 1x3b s SER 2 Cb 0.00 1.86 0.12 0.00 -1.71 0.00 0.00 66.02 66.29 1x3b s SER 2 CO 0.00 -0.25 1.15 -0.94 1.20 0.00 0.00 173.24 174.40 1x3b s SER 3 N 2.77 -0.16 0.23 5.45 1.04 -1.26 -5.19 113.70 116.57 1x3b s SER 3 Ca 0.06 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 1x3b s SER 3 Cb -0.14 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1x3b s SER 3 CO -0.18 -0.36 0.32 0.61 0.98 0.00 0.00 173.24 174.62 1x3b n GLY 4 N -0.22 2.44 2.95 7.32 0.00 -1.26 -5.05 105.19 111.36 1x3b n GLY 4 Ca -0.03 -1.52 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.79 -6.57 -4.64 1.61 2.88 -1.26 -4.83 113.62 99.02 1x3b n SER 5 Ca 0.00 0.94 -0.43 0.00 -1.33 0.00 0.00 58.87 58.05 1x3b n SER 5 Cb 0.38 -3.28 -0.02 0.00 -0.75 0.00 0.00 64.21 60.54 1x3b n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3b s SER 6 N -1.07 6.91 0.00 -3.46 0.01 -1.26 -5.00 113.70 109.83 1x3b s SER 6 Ca -0.03 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1x3b s SER 6 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1x3b s SER 6 CO 0.36 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1x3b n GLY 7 N 3.83 4.27 0.00 3.44 0.00 -1.26 -5.17 105.19 110.30 1x3b n GLY 7 Ca 0.13 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1x3b n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x3b n MET 8 N 0.00 0.00 0.00 1.61 0.00 -1.26 -5.16 117.12 112.31 1x3b n MET 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1x3b n MET 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1x3b n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x3b n GLY 9 N 0.00 -0.73 3.76 3.03 0.00 -1.26 -5.05 105.19 104.95 1x3b n GLY 9 Ca 0.00 0.89 -0.33 0.00 0.00 0.00 0.00 46.02 46.57 1x3b n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x3b s THR 10 N 0.00 3.08 0.24 2.61 -4.23 -1.26 -2.83 115.64 113.25 1x3b s THR 10 Ca 0.00 0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.91 1x3b s THR 10 Cb 0.00 -3.01 0.36 0.00 1.34 0.00 0.00 72.50 71.18 1x3b s THR 10 CO 0.00 -0.32 1.38 0.55 -0.54 0.00 0.00 174.62 175.69 1x3b n VAL 11 N -2.56 -0.40 -0.10 2.29 3.14 -1.26 0.17 118.33 119.61 1x3b n VAL 11 Ca 0.11 2.04 -0.06 0.00 -2.96 0.00 0.00 64.34 63.46 1x3b n VAL 11 Cb 0.52 -2.79 0.01 0.00 -1.06 0.00 0.00 33.84 30.52 1x3b n VAL 11 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1x3b h MET 12 N 0.00 0.24 -0.59 1.45 4.05 -1.90 -1.91 114.93 116.27 1x3b h MET 12 Ca 0.39 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.78 1x3b h MET 12 Cb 0.61 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 1x3b h MET 12 CO -0.90 0.16 0.29 -0.44 0.23 0.00 0.00 176.91 176.24 1x3b h ASP 13 N 0.24 0.77 -1.04 1.39 5.19 0.14 -1.40 116.42 121.71 1x3b h ASP 13 Ca 0.16 -0.13 0.28 0.00 -0.62 0.00 0.00 57.03 56.72 1x3b h ASP 13 Cb 0.14 -0.20 -0.08 0.00 0.18 0.00 0.00 39.33 39.38 1x3b h ASP 13 CO -0.17 0.68 0.70 0.58 -3.12 0.00 0.00 179.24 177.91 1x3b h VAL 14 N 0.81 0.51 -0.02 -1.35 2.07 0.15 1.44 116.25 119.87 1x3b h VAL 14 Ca 0.20 -0.10 -0.23 0.00 0.82 0.00 0.00 66.70 67.40 1x3b h VAL 14 Cb 0.11 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1x3b h VAL 14 CO -0.03 0.05 -0.87 -0.07 0.02 0.00 0.00 177.57 176.67 1x3b h LEU 15 N 0.28 0.80 -0.22 2.57 3.38 -0.75 -2.49 115.31 118.88 1x3b h LEU 15 Ca 0.56 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1x3b h LEU 15 Cb 1.65 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1x3b h LEU 15 CO -0.20 1.42 0.03 0.11 0.09 0.00 0.00 178.44 179.89 1x3b h LYS 16 N 0.26 0.37 -0.53 1.13 1.57 0.94 -3.00 116.57 117.31 1x3b h LYS 16 Ca -0.10 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1x3b h LYS 16 Cb 1.54 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.75 1x3b h LYS 16 CO 0.17 0.52 0.21 0.78 -0.57 0.00 0.00 179.45 180.56 1x3b h GLY 17 N 0.16 0.73 -3.94 3.86 0.00 0.16 -3.41 103.07 100.62 1x3b h GLY 17 Ca 0.07 -0.12 -0.51 0.00 0.00 0.00 0.00 47.33 46.76 1x3b h GLY 17 CO 0.01 0.02 0.47 -0.35 0.00 0.00 0.00 176.54 176.69 1x3b s ASP 18 N -5.41 7.29 -0.05 0.19 -1.08 -0.94 -4.95 116.67 111.72 1x3b s ASP 18 Ca -0.13 2.16 -0.13 0.00 -0.52 0.00 0.00 52.55 53.92 1x3b s ASP 18 Cb 0.15 -2.61 -0.31 0.00 -1.46 0.00 0.00 42.92 38.69 1x3b s ASP 18 CO 0.74 -0.16 0.70 0.78 0.52 0.00 0.00 175.17 177.74 1x3b h ASN 19 N 4.52 0.60 -0.98 -0.34 2.35 -1.80 -3.33 115.58 116.59 1x3b h ASN 19 Ca -0.45 -0.92 0.34 0.00 -0.55 0.00 0.00 56.30 54.71 1x3b h ASN 19 Cb 1.21 -0.19 -0.17 0.00 0.05 0.00 0.00 38.32 39.22 1x3b h ASN 19 CO 0.70 1.72 0.41 0.03 -1.65 0.00 0.00 177.43 178.64 1x3b h ARG 20 N -0.00 0.12 -2.18 0.81 3.08 -1.92 0.18 114.38 114.47 1x3b h ARG 20 Ca -0.31 -0.01 -0.72 0.00 0.07 0.00 0.00 59.98 59.01 1x3b h ARG 20 Cb 2.01 -0.03 -0.33 0.00 0.08 0.00 0.00 29.97 31.71 1x3b h ARG 20 CO 0.17 0.08 0.36 1.19 -1.07 0.00 0.00 179.97 180.70 1x3b n PHE 21 N -5.24 3.26 -0.05 3.04 3.72 -1.25 -4.36 117.46 116.58 1x3b n PHE 21 Ca 0.31 -3.04 -0.22 0.00 -0.05 0.00 0.00 57.45 54.46 1x3b n PHE 21 Cb 1.01 -0.88 -0.13 0.00 -0.94 0.00 0.00 39.48 38.54 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 3.54 0.21 -0.65 4.37 4.64 -0.77 -3.31 113.55 121.59 1x3b h SER 22 Ca 0.39 -0.73 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1x3b h SER 22 Cb 0.39 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1x3b h SER 22 CO 1.07 1.63 0.39 0.24 -0.87 0.00 0.00 176.83 179.29 1x3b h MET 23 N -0.51 0.89 0.41 4.77 2.86 -1.83 -2.69 114.93 118.82 1x3b h MET 23 Ca -0.36 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 1x3b h MET 23 Cb 1.63 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 1x3b h MET 23 CO -0.06 0.63 -0.28 1.25 1.06 0.00 0.00 176.91 179.51 1x3b h LEU 24 N 0.91 -0.72 -0.70 1.22 5.85 -1.91 -2.64 115.31 117.32 1x3b h LEU 24 Ca 0.24 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.12 1x3b h LEU 24 Cb -0.02 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.11 1x3b h LEU 24 CO -0.04 -0.43 -0.37 0.58 -0.34 0.00 0.00 178.44 177.84 1x3b h VAL 25 N -0.67 0.11 -0.93 1.05 2.07 -1.57 0.66 116.25 116.97 1x3b h VAL 25 Ca -0.04 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.72 1x3b h VAL 25 Cb 0.57 0.11 -0.17 0.00 -1.52 0.00 0.00 31.29 30.28 1x3b h VAL 25 CO 0.02 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.64 1x3b h ALA 26 N 1.04 1.07 -0.51 1.67 0.00 -1.25 1.52 119.26 122.81 1x3b h ALA 26 Ca 0.25 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.49 1x3b h ALA 26 Cb 0.56 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1x3b h ALA 26 CO -0.76 -0.52 0.32 0.00 0.00 0.00 0.00 179.25 178.28 1x3b h ALA 27 N 1.91 0.65 0.80 0.00 0.00 0.55 0.41 119.26 123.58 1x3b h ALA 27 Ca 0.55 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 1x3b h ALA 27 Cb 1.09 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x3b h ALA 27 CO -0.85 0.04 -0.39 0.82 0.00 0.00 0.00 179.25 178.88 1x3b h ILE 28 N 0.64 0.20 -0.29 0.00 2.04 0.29 1.10 117.51 121.49 1x3b h ILE 28 Ca 0.20 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.10 1x3b h ILE 28 Cb -0.03 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.19 1x3b h ILE 28 CO -0.07 0.00 -0.21 -0.61 0.00 0.00 0.00 178.15 177.27 1x3b h GLN 29 N -1.09 -0.18 -0.43 2.37 4.15 0.19 1.45 115.11 121.57 1x3b h GLN 29 Ca -0.11 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1x3b h GLN 29 Cb 0.83 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1x3b h GLN 29 CO 0.18 -0.12 0.28 1.03 -1.93 0.00 0.00 178.83 178.27 1x3b h SER 30 N -0.18 0.51 -0.15 -0.69 0.87 -0.05 -1.55 113.55 112.31 1x3b h SER 30 Ca 0.16 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1x3b h SER 30 Cb 0.42 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1x3b h SER 30 CO -0.40 0.39 -0.00 0.00 -0.53 0.00 0.00 176.83 176.28 1x3b h ALA 31 N 1.14 1.53 -0.77 6.23 0.00 0.25 -3.47 119.26 124.16 1x3b h ALA 31 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x3b h ALA 31 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1x3b h ALA 31 CO -0.03 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1x3b n GLY 32 N -1.03 0.91 0.00 0.00 0.00 0.49 -4.78 105.19 100.79 1x3b n GLY 32 Ca 0.01 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.39 0.09 -0.32 0.99 4.77 -0.64 -4.50 117.00 117.00 1x3b n LEU 33 Ca 0.00 -0.08 0.19 0.00 -0.03 0.00 0.00 56.01 56.09 1x3b n LEU 33 Cb 0.35 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.88 1x3b n LEU 33 CO 0.00 0.02 1.20 0.74 -1.33 0.00 0.00 177.39 178.03 1x3b h THR 34 N 0.00 0.60 0.72 -5.08 2.02 -1.88 -0.65 112.91 108.63 1x3b h THR 34 Ca 0.00 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1x3b h THR 34 Cb 0.50 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1x3b h THR 34 CO 0.00 0.09 -0.35 -0.33 0.37 0.00 0.00 175.52 175.31 1x3b h GLU 35 N 0.52 -0.94 -1.03 6.66 5.08 -1.92 0.69 114.58 123.63 1x3b h GLU 35 Ca 0.58 0.06 0.26 0.00 -1.00 0.00 0.00 59.36 59.27 1x3b h GLU 35 Cb 1.26 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 30.62 1x3b h GLU 35 CO -0.33 -0.60 0.66 1.15 -1.00 0.00 0.00 179.01 178.90 1x3b h THR 36 N -1.13 0.53 0.00 1.13 2.02 -1.50 1.54 112.91 115.50 1x3b h THR 36 Ca -0.10 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1x3b h THR 36 Cb 0.77 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1x3b h THR 36 CO 0.16 0.08 -0.39 -0.07 0.37 0.00 0.00 175.52 175.67 1x3b h LEU 37 N 0.42 0.00 -0.94 2.58 3.38 -0.89 -3.17 115.31 116.68 1x3b h LEU 37 Ca 0.60 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.46 1x3b h LEU 37 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1x3b h LEU 37 CO -0.31 0.25 -0.39 -1.13 0.09 0.00 0.00 178.44 176.95 1x3b h ASN 38 N 0.00 0.29 -3.82 -0.43 -0.73 0.84 -3.42 115.58 108.31 1x3b h ASN 38 Ca -0.01 -0.12 -0.48 0.00 1.87 0.00 0.00 56.30 57.55 1x3b h ASN 38 Cb 1.20 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.70 1x3b h ASN 38 CO 0.03 0.66 0.37 -0.13 -0.37 0.00 0.00 177.43 177.99 1x3b s ARG 39 N -4.20 4.68 0.78 6.67 0.52 -0.20 -5.01 118.95 122.19 1x3b s ARG 39 Ca -0.05 1.49 -0.14 0.00 -0.52 0.00 0.00 55.73 56.50 1x3b s ARG 39 Cb 0.13 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.59 1x3b s ARG 39 CO 0.78 0.34 0.95 0.39 0.02 0.00 0.00 175.30 177.77 1x3b n GLU 40 N 1.00 0.26 0.00 3.54 1.02 -1.26 -4.84 120.64 120.36 1x3b n GLU 40 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1x3b n GLU 40 Cb 0.48 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1x3b n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3b n GLY 41 N 0.98 0.01 3.24 0.62 0.00 -1.26 -5.08 105.19 103.71 1x3b n GLY 41 Ca 0.12 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.92 -0.03 -0.26 1.61 -7.23 -1.26 -4.03 120.40 105.29 1x3b s VAL 42 Ca 0.00 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 1x3b s VAL 42 Cb 0.00 -0.58 0.13 0.00 0.56 0.00 0.00 36.38 36.49 1x3b s VAL 42 CO 0.00 0.04 0.55 -0.31 -0.31 0.00 0.00 175.10 175.07 1x3b s TYR 43 N 1.34 -1.18 -0.64 2.82 2.02 -1.26 -4.13 117.35 116.32 1x3b s TYR 43 Ca -0.09 1.89 -0.24 0.00 -0.37 0.00 0.00 57.07 58.26 1x3b s TYR 43 Cb -0.08 0.56 0.05 0.00 -0.40 0.00 0.00 41.96 42.09 1x3b s TYR 43 CO -0.12 -0.64 1.04 0.99 -1.57 0.00 0.00 175.55 175.24 1x3b s THR 44 N 2.78 4.20 0.20 -0.71 2.01 -1.20 -3.93 115.64 119.00 1x3b s THR 44 Ca 0.00 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.12 1x3b s THR 44 Cb -0.13 -4.69 -0.04 0.00 0.01 0.00 0.00 72.50 67.65 1x3b s THR 44 CO -0.17 -1.43 0.19 -0.69 -0.69 0.00 0.00 174.62 171.82 1x3b s VAL 45 N 4.43 4.60 -0.20 3.82 1.01 -1.23 -0.54 120.40 132.29 1x3b s VAL 45 Ca 0.28 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1x3b s VAL 45 Cb -0.13 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1x3b s VAL 45 CO 0.15 -0.22 -0.02 -0.36 0.00 0.00 0.00 175.10 174.65 1x3b s PHE 46 N -1.91 1.70 -0.29 5.22 0.08 -1.13 -2.02 117.98 119.62 1x3b s PHE 46 Ca 0.32 -1.25 -0.09 0.00 0.12 0.00 0.00 56.93 56.03 1x3b s PHE 46 Cb -0.09 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 1x3b s PHE 46 CO 0.25 -0.67 0.14 0.00 -0.10 0.00 0.00 175.22 174.83 1x3b s ALA 47 N 1.63 3.29 1.03 5.36 0.00 -1.24 -4.81 121.76 127.02 1x3b s ALA 47 Ca -0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 1x3b s ALA 47 Cb -0.17 -2.32 0.07 0.00 0.00 0.00 0.00 23.12 20.70 1x3b s ALA 47 CO -0.07 -0.73 0.31 -0.35 0.00 0.00 0.00 175.76 174.93 1x3b n PRO 48 N 4.98 -0.93 -0.51 0.00 -0.04 -1.26 -1.07 135.00 136.17 1x3b n PRO 48 Ca -0.14 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1x3b n PRO 48 Cb 0.50 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 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 -2.78 0.00 -0.05 0.52 -2.24 -1.05 -4.71 114.28 103.97 1x3b n THR 49 Ca 0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1x3b n THR 49 Cb 0.15 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 66.87 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 0.00 -0.02 0.10 3.42 -1.24 -1.95 -3.20 115.58 112.69 1x3b h ASN 50 Ca 0.00 -0.68 0.00 0.00 0.71 0.00 0.00 56.30 56.33 1x3b h ASN 50 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1x3b h ASN 50 CO 0.00 0.78 0.00 -0.62 -1.29 0.00 0.00 177.43 176.30 1x3b n GLU 51 N -4.70 0.13 0.35 6.67 1.02 -1.26 -2.25 120.64 120.59 1x3b n GLU 51 Ca -0.08 0.59 -0.15 0.00 -0.02 0.00 0.00 57.16 57.51 1x3b n GLU 51 Cb 0.34 -1.90 -0.07 0.00 -0.02 0.00 0.00 31.44 29.79 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 2.04 -0.91 -0.80 0.62 0.00 -1.85 -1.74 119.26 116.62 1x3b h ALA 52 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1x3b h ALA 52 Cb 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1x3b h ALA 52 CO 0.00 -0.87 0.53 0.74 0.00 0.00 0.00 179.25 179.65 1x3b h PHE 53 N -1.19 0.95 0.00 0.00 -1.00 -1.53 0.19 116.94 114.36 1x3b h PHE 53 Ca -0.09 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 1x3b h PHE 53 Cb 0.72 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 1x3b h PHE 53 CO 0.00 0.55 -0.09 0.00 -1.61 0.00 0.00 178.31 177.17 1x3b h ARG 54 N 0.98 0.00 -0.42 1.51 3.08 -1.45 -1.12 114.38 116.97 1x3b h ARG 54 Ca 0.32 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.28 1x3b h ARG 54 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1x3b h ARG 54 CO -0.09 0.09 -0.10 0.00 -1.07 0.00 0.00 179.97 178.80 1x3b h ALA 55 N 1.91 1.05 -2.61 0.04 0.00 -0.00 -3.44 119.26 116.21 1x3b h ALA 55 Ca -0.00 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 1x3b h ALA 55 Cb 0.20 -0.17 0.18 0.00 0.00 0.00 0.00 17.79 18.00 1x3b h ALA 55 CO 0.01 0.58 -0.17 1.28 0.00 0.00 0.00 179.25 180.95 1x3b n LEU 56 N -4.18 2.07 -4.78 0.00 4.77 -0.42 -4.97 117.00 109.48 1x3b n LEU 56 Ca 0.01 0.69 -0.29 0.00 -0.03 0.00 0.00 56.01 56.39 1x3b n LEU 56 Cb 0.35 -1.29 0.17 0.00 -2.33 0.00 0.00 43.42 40.33 1x3b n LEU 56 CO 0.42 -2.59 0.74 -2.16 -1.33 0.00 0.00 177.39 172.47 1x3b s PRO 57 N -2.72 0.43 0.00 3.23 0.04 -1.26 -4.87 135.00 129.85 1x3b s PRO 57 Ca 0.71 0.01 0.23 0.00 0.04 0.00 0.00 61.00 61.99 1x3b s PRO 57 Cb -0.39 -1.78 1.29 0.00 0.04 0.00 0.00 34.50 33.66 1x3b s PRO 57 CO 0.53 -2.62 1.77 -0.35 0.04 0.00 0.00 177.00 176.36 1x3b n PRO 58 N -4.01 0.54 -0.06 0.56 -0.04 -1.26 -2.50 135.00 128.23 1x3b n PRO 58 Ca 0.10 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1x3b n PRO 58 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1x3b n PRO 58 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x3b n ARG 59 N -1.14 0.36 -0.28 0.54 3.00 -1.26 -4.05 116.66 113.83 1x3b n ARG 59 Ca 0.14 0.20 0.09 0.00 -0.00 0.00 0.00 57.85 58.28 1x3b n ARG 59 Cb 0.13 -1.19 0.24 0.00 0.00 0.00 0.00 32.46 31.65 1x3b n ARG 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1x3b h GLU 60 N -0.69 0.43 0.00 -0.14 4.81 -1.95 0.21 114.58 117.25 1x3b h GLU 60 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1x3b h GLU 60 Cb 0.63 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1x3b h GLU 60 CO 0.00 0.28 0.00 0.54 -0.73 0.00 0.00 179.01 179.10 1x3b n ARG 61 N -5.01 0.00 -0.42 1.92 1.74 -1.04 0.21 116.66 114.06 1x3b n ARG 61 Ca 0.18 0.30 0.35 0.00 -0.77 0.00 0.00 57.85 57.91 1x3b n ARG 61 Cb 0.52 -1.15 0.65 0.00 -1.02 0.00 0.00 32.46 31.47 1x3b n ARG 61 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x3b h SER 62 N 0.00 0.22 0.23 0.55 0.87 -1.66 0.61 113.55 114.37 1x3b h SER 62 Ca 0.00 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1x3b h SER 62 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1x3b h SER 62 CO 0.00 -0.06 -0.11 0.03 -0.53 0.00 0.00 176.83 176.16 1x3b h ARG 63 N 0.14 -0.29 0.17 2.24 3.08 -0.01 1.22 114.38 120.92 1x3b h ARG 63 Ca 0.73 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.81 1x3b h ARG 63 Cb 2.38 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 32.48 1x3b h ARG 63 CO -0.26 -0.20 -0.21 -0.07 -1.07 0.00 0.00 179.97 178.16 1x3b h LEU 64 N -0.32 -0.57 -2.00 3.04 3.38 0.13 0.24 115.31 119.21 1x3b h LEU 64 Ca -0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1x3b h LEU 64 Cb 0.23 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1x3b h LEU 64 CO 0.05 -0.30 0.00 -0.07 0.09 0.00 0.00 178.44 178.21 1x3b h LEU 65 N -0.43 0.00 0.00 1.67 3.38 0.09 -3.33 115.31 116.69 1x3b h LEU 65 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x3b h LEU 65 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1x3b h LEU 65 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1x3b n GLY 66 N -1.12 1.04 3.77 0.83 0.00 0.42 -4.94 105.19 105.18 1x3b n GLY 66 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1x3b n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 67 N -1.00 6.01 -0.13 1.61 1.11 0.41 -4.94 116.67 119.74 1x3b s ASP 67 Ca 0.00 2.88 -0.19 0.00 0.18 0.00 0.00 52.55 55.43 1x3b s ASP 67 Cb 0.00 -2.65 -0.25 0.00 1.07 0.00 0.00 42.92 41.08 1x3b s ASP 67 CO 0.00 -1.08 0.52 0.00 1.18 0.00 0.00 175.17 175.79 1x3b h ALA 68 N 2.47 0.17 -0.70 5.23 0.00 -1.86 -3.05 119.26 121.52 1x3b h ALA 68 Ca -0.51 -1.03 0.09 0.00 0.00 0.00 0.00 54.91 53.46 1x3b h ALA 68 Cb 1.26 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 19.40 1x3b h ALA 68 CO 0.62 0.69 -0.49 0.87 0.00 0.00 0.00 179.25 180.94 1x3b h LYS 69 N -0.54 -0.17 -0.81 0.00 1.79 -1.94 0.52 116.57 115.43 1x3b h LYS 69 Ca -0.27 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1x3b h LYS 69 Cb 1.57 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 32.22 1x3b h LYS 69 CO -0.00 -0.11 0.47 0.93 -1.08 0.00 0.00 179.45 179.65 1x3b h GLU 70 N -0.18 1.11 0.00 3.15 5.08 -1.93 -0.75 114.58 121.06 1x3b h GLU 70 Ca 0.17 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x3b h GLU 70 Cb 0.54 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x3b h GLU 70 CO -0.77 0.80 -0.00 1.25 -1.00 0.00 0.00 179.01 179.28 1x3b h LEU 71 N 1.11 -0.01 -0.93 1.33 6.46 -0.17 -1.41 115.31 121.68 1x3b h LEU 71 Ca 0.29 0.00 0.25 0.00 -0.12 0.00 0.00 57.88 58.30 1x3b h LEU 71 Cb -0.01 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 39.79 1x3b h LEU 71 CO -0.05 -0.01 0.42 0.00 -0.62 0.00 0.00 178.44 178.19 1x3b h ALA 72 N -1.65 1.57 -0.59 1.25 0.00 -0.17 0.22 119.26 119.89 1x3b h ALA 72 Ca -0.00 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1x3b h ALA 72 Cb 0.01 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 1x3b h ALA 72 CO -0.00 -0.42 -0.39 -0.97 0.00 0.00 0.00 179.25 177.47 1x3b h ASN 73 N 0.36 -1.35 0.06 0.00 -1.24 -0.39 1.42 115.58 114.45 1x3b h ASN 73 Ca 0.61 0.24 0.01 0.00 0.71 0.00 0.00 56.30 57.87 1x3b h ASN 73 Cb 1.24 0.63 -0.01 0.00 0.73 0.00 0.00 38.32 40.92 1x3b h ASN 73 CO -0.57 -0.32 -0.08 0.40 -1.29 0.00 0.00 177.43 175.56 1x3b h ILE 74 N -0.20 0.81 -0.60 2.57 1.08 0.44 -1.13 117.51 120.48 1x3b h ILE 74 Ca 0.20 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.79 1x3b h ILE 74 Cb 0.56 0.81 -0.09 0.00 -3.07 0.00 0.00 36.82 35.03 1x3b h ILE 74 CO -0.69 0.00 0.10 -0.07 -0.69 0.00 0.00 178.15 176.80 1x3b h LEU 75 N -0.17 -0.07 -0.33 1.44 3.38 -0.01 0.14 115.31 119.68 1x3b h LEU 75 Ca 0.01 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1x3b h LEU 75 Cb 0.18 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1x3b h LEU 75 CO -0.04 -0.02 -0.05 0.11 0.09 0.00 0.00 178.44 178.53 1x3b h LYS 76 N 0.22 0.04 0.00 1.13 1.57 0.24 0.61 116.57 120.38 1x3b h LYS 76 Ca 0.32 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1x3b h LYS 76 Cb 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1x3b h LYS 76 CO -0.43 0.02 0.00 0.98 -0.57 0.00 0.00 179.45 179.45 1x3b n TYR 77 N -5.23 0.00 -0.00 -1.35 9.36 0.04 -1.45 117.16 118.52 1x3b n TYR 77 Ca 0.01 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.31 1x3b n TYR 77 Cb 0.18 -0.32 -0.14 0.00 -0.63 0.00 0.00 39.34 38.43 1x3b n TYR 77 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1x3b n HIS 78 N -1.32 0.17 -3.98 2.98 8.25 0.18 -4.92 115.22 116.58 1x3b n HIS 78 Ca 0.06 0.05 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 1x3b n HIS 78 Cb 0.12 -0.64 -0.05 0.00 1.12 0.00 0.00 29.99 30.54 1x3b n HIS 78 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x3b s ILE 79 N -3.37 5.10 0.37 1.59 1.01 0.49 -2.85 121.20 123.54 1x3b s ILE 79 Ca -0.07 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1x3b s ILE 79 Cb 0.12 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1x3b s ILE 79 CO 0.88 0.27 0.15 -0.83 0.00 0.00 0.00 174.94 175.42 1x3b s GLY 80 N -2.05 2.08 -0.40 6.18 0.00 0.30 -3.88 107.32 109.55 1x3b s GLY 80 Ca 0.28 -1.92 0.05 0.00 0.00 0.00 0.00 44.72 43.13 1x3b s GLY 80 CO 0.19 -1.81 1.86 1.34 0.00 0.00 0.00 173.10 174.68 1x3b n ASP 81 N -1.18 4.01 -3.61 1.64 2.03 0.46 -3.34 116.55 116.57 1x3b n ASP 81 Ca -0.02 -3.45 -0.01 0.00 0.52 0.00 0.00 54.79 51.82 1x3b n ASP 81 Cb 0.62 -0.81 -0.01 0.00 -0.72 0.00 0.00 41.12 40.20 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 -3.11 0.15 -0.07 -0.67 -1.05 -1.26 -4.95 118.70 107.74 1x3b s GLU 82 Ca 0.55 -0.07 -0.21 0.00 -0.15 0.00 0.00 54.97 55.09 1x3b s GLU 82 Cb 0.45 0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 1x3b s GLU 82 CO 0.11 -0.07 0.60 0.42 0.95 0.00 0.00 175.26 177.28 1x3b s ILE 83 N -2.19 5.06 -0.11 1.83 -1.09 -1.26 -3.23 121.20 120.20 1x3b s ILE 83 Ca 0.12 1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 59.77 1x3b s ILE 83 Cb 0.01 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1x3b s ILE 83 CO -0.04 0.32 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.70 1x3b s LEU 84 N 0.47 1.17 0.07 2.97 0.20 -1.26 -5.06 118.68 117.25 1x3b s LEU 84 Ca 0.32 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.83 1x3b s LEU 84 Cb -0.17 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 44.74 1x3b s LEU 84 CO 0.15 -0.13 -0.05 0.68 -0.29 0.00 0.00 176.35 176.71 1x3b s VAL 85 N 1.73 0.45 -0.86 1.68 -7.23 -1.26 -4.93 120.40 109.97 1x3b s VAL 85 Ca 0.05 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1x3b s VAL 85 Cb -0.13 -1.55 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1x3b s VAL 85 CO -0.08 -0.92 2.13 -1.54 -0.31 0.00 0.00 175.10 174.39 1x3b n SER 86 N 0.10 4.86 -2.86 4.85 3.41 -1.26 -4.53 113.62 118.19 1x3b n SER 86 Ca -0.14 -2.30 -0.34 0.00 -0.26 0.00 0.00 58.87 55.83 1x3b n SER 86 Cb 0.61 -1.08 0.02 0.00 -0.26 0.00 0.00 64.21 63.49 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 3.68 5.78 0.51 5.00 0.00 -1.26 -4.79 105.19 114.11 1x3b n GLY 87 Ca 0.43 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.43 0.61 0.00 -0.02 0.00 -1.26 -5.11 105.19 98.98 1x3b n GLY 88 Ca 0.46 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.06 119.36 114.10 1x3b n ILE 89 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1x3b n ILE 89 Cb 0.17 -0.06 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 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 3.67 -0.07 1.14 7.39 0.00 -1.26 -5.04 105.19 111.03 1x3b n GLY 90 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -3.70 4.61 0.00 -1.26 -4.98 120.51 115.17 1x3b n ALA 91 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1x3b n ALA 91 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 -4.32 0.96 0.00 0.00 2.96 -1.26 -2.34 118.68 114.67 1x3b s LEU 92 Ca 0.00 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1x3b s LEU 92 Cb 0.00 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 1x3b s LEU 92 CO 0.00 -0.13 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.16 1x3b s VAL 93 N 1.34 3.79 -0.36 1.68 1.01 0.40 -4.97 120.40 123.29 1x3b s VAL 93 Ca -0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1x3b s VAL 93 Cb -0.13 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.63 1x3b s VAL 93 CO -0.02 0.39 0.16 -0.13 0.00 0.00 0.00 175.10 175.49 1x3b s ARG 94 N -1.46 2.65 -0.09 2.72 0.52 -1.26 -1.24 118.95 120.80 1x3b s ARG 94 Ca 0.18 -1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 54.01 1x3b s ARG 94 Cb -0.11 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1x3b s ARG 94 CO 0.08 -0.73 0.40 -1.17 0.02 0.00 0.00 175.30 173.90 1x3b s LEU 95 N 1.44 4.34 -0.46 2.53 0.20 -0.73 -4.92 118.68 121.08 1x3b s LEU 95 Ca 0.00 0.79 -0.23 0.00 0.69 0.00 0.00 54.13 55.38 1x3b s LEU 95 Cb -0.20 -2.57 0.03 0.00 -0.43 0.00 0.00 46.19 43.02 1x3b s LEU 95 CO 0.04 0.15 0.79 -0.75 -0.29 0.00 0.00 176.35 176.28 1x3b s LYS 96 N -0.04 3.40 0.78 1.98 2.20 -1.26 0.19 119.74 126.98 1x3b s LYS 96 Ca 0.23 -0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.64 1x3b s LYS 96 Cb -0.15 -3.95 0.13 0.00 -1.51 0.00 0.00 37.83 32.35 1x3b s LYS 96 CO 0.10 -1.14 1.09 0.45 -0.36 0.00 0.00 175.35 175.49 1x3b s SER 97 N 2.18 4.15 -0.11 1.43 0.15 -1.25 -0.40 113.70 119.83 1x3b s SER 97 Ca 0.30 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1x3b s SER 97 Cb -0.12 -0.47 -0.24 0.00 -1.71 0.00 0.00 66.02 63.48 1x3b s SER 97 CO 0.22 -2.02 0.38 0.18 1.20 0.00 0.00 173.24 173.21 1x3b n LEU 98 N -3.13 2.07 -0.31 3.45 4.77 -1.25 -4.02 117.00 118.58 1x3b n LEU 98 Ca 0.13 0.23 0.31 0.00 -0.03 0.00 0.00 56.01 56.64 1x3b n LEU 98 Cb 0.60 -0.67 0.67 0.00 -2.33 0.00 0.00 43.42 41.68 1x3b n LEU 98 CO 0.46 0.72 1.28 -0.61 -1.33 0.00 0.00 177.39 177.92 1x3b h GLN 99 N 0.04 0.13 0.00 3.23 -0.00 -1.87 -3.45 115.11 113.19 1x3b h GLN 99 Ca -0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1x3b h GLN 99 Cb 2.03 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 29.48 1x3b h GLN 99 CO 0.07 0.08 0.00 0.41 0.00 0.00 0.00 178.83 179.39 1x3b n GLY 100 N -1.66 3.70 3.72 2.39 0.00 -1.26 -4.99 105.19 107.08 1x3b n GLY 100 Ca 0.25 -0.92 -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 0.00 7.04 0.15 1.61 1.01 -1.26 -4.80 116.67 120.42 1x3b s ASP 101 Ca 0.00 2.08 -0.31 0.00 0.71 0.00 0.00 52.55 55.03 1x3b s ASP 101 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 1x3b s ASP 101 CO 0.00 -0.49 1.35 -0.54 0.21 0.00 0.00 175.17 175.71 1x3b s LYS 102 N 0.94 4.35 0.76 8.23 3.01 -1.26 -3.94 119.74 131.82 1x3b s LYS 102 Ca 0.59 2.06 -0.11 0.00 -1.01 0.00 0.00 55.97 57.49 1x3b s LYS 102 Cb -0.31 -3.23 0.05 0.00 -1.01 0.00 0.00 37.83 33.33 1x3b s LYS 102 CO 0.30 -0.36 1.10 -0.51 0.51 0.00 0.00 175.35 176.39 1x3b s LEU 103 N 0.60 2.73 -0.06 3.17 1.43 0.50 -4.88 118.68 122.17 1x3b s LEU 103 Ca 0.61 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1x3b s LEU 103 Cb -0.36 -3.91 0.02 0.00 0.03 0.00 0.00 46.19 41.96 1x3b s LEU 103 CO 0.33 -1.69 -0.11 -1.61 0.23 0.00 0.00 176.35 173.51 1x3b s GLU 104 N -5.26 1.53 -0.08 1.70 2.02 -1.26 -1.78 118.70 115.57 1x3b s GLU 104 Ca 0.60 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.20 1x3b s GLU 104 Cb -0.13 -1.30 0.04 0.00 0.10 0.00 0.00 34.13 32.85 1x3b s GLU 104 CO 0.53 0.00 0.15 0.08 0.02 0.00 0.00 175.26 176.04 1x3b s VAL 105 N 0.73 -0.20 0.23 2.63 1.01 -0.37 -0.53 120.40 123.90 1x3b s VAL 105 Ca -0.14 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1x3b s VAL 105 Cb -0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 1x3b s VAL 105 CO 0.03 0.13 -0.03 -0.94 0.00 0.00 0.00 175.10 174.29 1x3b s SER 106 N 1.99 2.07 -0.20 3.32 1.04 -0.73 0.15 113.70 121.34 1x3b s SER 106 Ca -0.00 -1.18 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 1x3b s SER 106 Cb -0.12 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.01 1x3b s SER 106 CO -0.06 -0.44 -0.06 -0.22 0.98 0.00 0.00 173.24 173.45 1x3b s LEU 107 N -3.32 2.01 0.03 2.42 2.96 -0.99 -0.98 118.68 120.80 1x3b s LEU 107 Ca 0.27 -0.88 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1x3b s LEU 107 Cb 0.05 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 1x3b s LEU 107 CO 0.08 -0.20 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.10 1x3b s LYS 108 N 1.53 0.46 -1.71 1.98 2.47 0.05 -4.69 119.74 119.82 1x3b s LYS 108 Ca -0.02 -0.56 0.00 0.00 -1.56 0.00 0.00 55.97 53.83 1x3b s LYS 108 Cb -0.17 -0.28 0.00 0.00 -1.46 0.00 0.00 37.83 35.92 1x3b s LYS 108 CO -0.07 0.06 0.00 0.09 0.16 0.00 0.00 175.35 175.58 1x3b n ASN 109 N 1.94 -4.66 -0.04 1.43 3.02 -1.26 0.16 115.26 115.84 1x3b n ASN 109 Ca -0.20 0.40 -0.01 0.00 -0.03 0.00 0.00 54.58 54.75 1x3b n ASN 109 Cb 0.56 -4.07 -0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1x3b n ASN 110 N -0.95 -3.46 -4.67 6.41 2.85 -1.26 -5.01 115.26 109.17 1x3b n ASN 110 Ca -0.16 0.01 -0.32 0.00 -0.11 0.00 0.00 54.58 54.01 1x3b n ASN 110 Cb 0.56 -1.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.50 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 -1.89 4.05 -0.11 3.44 1.01 0.42 -5.11 120.40 122.21 1x3b s VAL 111 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1x3b s VAL 111 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1x3b s VAL 111 CO 0.00 0.28 0.28 -0.69 0.00 0.00 0.00 175.10 174.97 1x3b s VAL 112 N -1.16 5.29 0.08 2.92 1.01 -1.26 -0.77 120.40 126.50 1x3b s VAL 112 Ca 0.22 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1x3b s VAL 112 Cb -0.12 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1x3b s VAL 112 CO 0.13 0.50 -0.17 -0.44 0.00 0.00 0.00 175.10 175.12 1x3b s SER 113 N -0.34 2.09 -0.18 3.32 0.01 -0.16 -2.89 113.70 115.55 1x3b s SER 113 Ca 0.18 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 1x3b s SER 113 Cb -0.14 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.05 1x3b s SER 113 CO 0.06 0.01 0.03 0.54 0.41 0.00 0.00 173.24 174.29 1x3b s VAL 114 N -1.15 0.50 -1.07 3.43 0.11 -0.20 -1.78 120.40 120.24 1x3b s VAL 114 Ca 0.03 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1x3b s VAL 114 Cb -0.10 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1x3b s VAL 114 CO 0.03 -0.18 0.09 0.59 -3.33 0.00 0.00 175.10 172.30 1x3b n ASN 115 N 5.06 -4.11 -1.37 3.54 3.02 0.31 -2.07 115.26 119.64 1x3b n ASN 115 Ca -0.09 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.31 1x3b n ASN 115 Cb 0.47 -3.23 0.01 0.00 -0.61 0.00 0.00 39.78 36.42 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 -2.36 -1.87 -4.68 3.52 5.02 -1.26 -5.03 118.16 111.49 1x3b n LYS 116 Ca -0.13 0.41 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 1x3b n LYS 116 Cb 0.61 -4.24 -0.14 0.00 -0.02 0.00 0.00 35.03 31.23 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 -4.92 1.32 0.19 1.97 2.02 -0.88 -5.12 118.70 113.28 1x3b s GLU 117 Ca 0.11 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1x3b s GLU 117 Cb -0.05 -1.35 -0.08 0.00 0.10 0.00 0.00 34.13 32.75 1x3b s GLU 117 CO 0.13 0.35 1.11 -1.25 0.02 0.00 0.00 175.26 175.63 1x3b s PRO 118 N -0.83 4.59 0.13 0.39 0.04 -1.26 -1.03 135.00 137.02 1x3b s PRO 118 Ca 0.06 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1x3b s PRO 118 Cb -0.08 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1x3b s PRO 118 CO 0.01 0.08 0.47 0.08 0.04 0.00 0.00 177.00 177.67 1x3b s VAL 119 N -0.36 5.00 -0.04 -0.36 1.01 -1.14 -2.65 120.40 121.86 1x3b s VAL 119 Ca 0.49 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 1x3b s VAL 119 Cb -0.30 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1x3b s VAL 119 CO 0.36 0.19 0.27 0.00 0.00 0.00 0.00 175.10 175.92 1x3b h ALA 120 N 3.37 -0.25 -1.83 5.51 0.00 0.28 -3.45 119.26 122.89 1x3b h ALA 120 Ca -0.48 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.05 1x3b h ALA 120 Cb 1.19 0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.74 1x3b h ALA 120 CO 0.67 -0.24 -0.68 -1.21 0.00 0.00 0.00 179.25 177.80 1x3b s GLU 121 N -1.99 0.71 1.00 0.00 0.41 -0.92 -4.99 118.70 112.92 1x3b s GLU 121 Ca -0.02 -0.94 -0.15 0.00 -0.41 0.00 0.00 54.97 53.45 1x3b s GLU 121 Cb 0.00 -0.67 0.19 0.00 -1.78 0.00 0.00 34.13 31.88 1x3b s GLU 121 CO 0.07 -1.22 1.18 -1.25 -0.49 0.00 0.00 175.26 173.54 1x3b s PRO 122 N 1.30 0.38 -0.26 0.39 0.04 -1.26 -3.08 135.00 132.51 1x3b s PRO 122 Ca 0.19 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.23 1x3b s PRO 122 Cb -0.12 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1x3b s PRO 122 CO -0.04 -2.66 0.23 -0.25 0.04 0.00 0.00 177.00 174.31 1x3b n ASP 123 N -4.03 -3.00 -4.14 6.66 8.00 -1.23 -4.93 116.55 113.87 1x3b n ASP 123 Ca 0.11 -0.17 -0.38 0.00 0.71 0.00 0.00 54.79 55.05 1x3b n ASP 123 Cb 0.59 -1.64 -0.09 0.00 -0.02 0.00 0.00 41.12 39.96 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1x3b s ILE 124 N -3.09 3.93 0.01 0.53 1.01 -0.12 -4.98 121.20 118.50 1x3b s ILE 124 Ca 0.10 -2.62 -0.30 0.00 0.00 0.00 0.00 60.65 57.82 1x3b s ILE 124 Cb -0.01 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1x3b s ILE 124 CO 0.18 -0.85 1.43 -0.04 0.00 0.00 0.00 174.94 175.66 1x3b s MET 125 N 0.32 4.27 0.00 2.79 -1.94 -1.26 -0.58 119.30 122.91 1x3b s MET 125 Ca 0.14 2.02 0.00 0.00 -1.71 0.00 0.00 55.69 56.14 1x3b s MET 125 Cb -0.20 -3.56 0.00 0.00 2.01 0.00 0.00 34.83 33.08 1x3b s MET 125 CO -0.04 -0.59 0.00 0.00 -0.01 0.00 0.00 175.02 174.38 1x3b n ALA 126 N 5.33 0.00 0.23 3.03 0.00 -0.48 -4.96 120.51 123.66 1x3b n ALA 126 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1x3b n ALA 126 Cb 0.43 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.14 1x3b n ALA 126 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x3b n THR 127 N -0.64 0.71 -2.65 0.00 5.66 -1.13 -4.41 114.28 111.82 1x3b n THR 127 Ca 0.00 -0.75 -0.03 0.00 -3.05 0.00 0.00 64.05 60.22 1x3b n THR 127 Cb 0.00 0.46 -0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1x3b n THR 127 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1x3b n ASN 128 N 1.19 -1.03 0.00 1.09 6.94 -1.26 -4.88 115.26 117.32 1x3b n ASN 128 Ca 0.19 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 1x3b n ASN 128 Cb 0.50 1.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.92 1x3b n ASN 128 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x3b n GLY 129 N -0.29 0.70 3.26 4.83 0.00 -1.26 -4.14 105.19 108.30 1x3b n GLY 129 Ca -0.26 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.13 0.00 0.01 1.61 0.11 -1.25 -1.38 120.40 116.37 1x3b s VAL 130 Ca 0.00 -1.91 -0.13 0.00 -2.93 0.00 0.00 61.98 57.01 1x3b s VAL 130 Cb 0.00 -2.45 0.02 0.00 -1.53 0.00 0.00 36.38 32.41 1x3b s VAL 130 CO 0.00 0.00 0.27 -0.69 -3.33 0.00 0.00 175.10 171.35 1x3b s VAL 131 N -4.14 0.07 -0.30 2.04 1.01 0.26 -3.50 120.40 115.85 1x3b s VAL 131 Ca 0.36 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1x3b s VAL 131 Cb 0.06 -0.72 0.10 0.00 0.00 0.00 0.00 36.38 35.81 1x3b s VAL 131 CO 0.12 -0.34 0.13 -1.00 0.00 0.00 0.00 175.10 174.01 1x3b s HIS 132 N -1.84 0.61 0.18 5.22 3.76 -0.86 -0.94 115.29 121.43 1x3b s HIS 132 Ca -0.10 -1.08 -0.33 0.00 -0.15 0.00 0.00 55.06 53.40 1x3b s HIS 132 Cb -0.04 -1.07 -0.13 0.00 1.11 0.00 0.00 32.58 32.46 1x3b s HIS 132 CO 0.01 -0.84 1.65 0.28 -0.85 0.00 0.00 174.74 174.99 1x3b n VAL 133 N 5.13 0.01 -3.63 -0.90 0.31 -1.18 -3.65 118.33 114.42 1x3b n VAL 133 Ca -0.05 -0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.07 1x3b n VAL 133 Cb 0.42 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 1x3b n VAL 133 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1x3b s ILE 134 N 1.07 2.50 -0.21 2.52 -4.36 -0.23 0.24 121.20 122.73 1x3b s ILE 134 Ca 0.77 -1.38 0.13 0.00 -0.26 0.00 0.00 60.65 59.91 1x3b s ILE 134 Cb -0.59 -2.88 0.42 0.00 1.25 0.00 0.00 42.46 40.66 1x3b s ILE 134 CO 0.35 0.00 1.29 0.35 0.24 0.00 0.00 174.94 177.17 1x3b n THR 135 N -1.57 2.23 -3.63 8.37 -2.24 -1.08 -2.51 114.28 113.84 1x3b n THR 135 Ca 0.03 -2.74 -0.03 0.00 -2.27 0.00 0.00 64.05 59.03 1x3b n THR 135 Cb 0.62 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.84 -0.09 -0.50 3.42 0.01 -1.26 -4.77 114.94 108.89 1x3b s ASN 136 Ca 0.39 0.11 -0.28 0.00 -0.71 0.00 0.00 52.86 52.37 1x3b s ASN 136 Cb 0.35 0.09 0.02 0.00 0.41 0.00 0.00 41.25 42.13 1x3b s ASN 136 CO -0.01 -0.08 1.35 -0.69 -1.51 0.00 0.00 177.10 176.16 1x3b s VAL 137 N -0.86 3.91 0.96 1.60 1.01 -1.26 -4.72 120.40 121.04 1x3b s VAL 137 Ca 0.07 0.86 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 1x3b s VAL 137 Cb -0.02 -4.43 0.10 0.00 0.00 0.00 0.00 36.38 32.04 1x3b s VAL 137 CO -0.08 -1.04 0.72 0.18 0.00 0.00 0.00 175.10 174.89 1x3b n LEU 138 N 8.94 1.09 -3.96 3.92 4.77 -1.26 -5.04 117.00 125.47 1x3b n LEU 138 Ca 0.13 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1x3b n LEU 138 Cb 0.49 -1.31 -0.10 0.00 -2.33 0.00 0.00 43.42 40.17 1x3b n LEU 138 CO 0.71 -2.99 -0.29 -1.10 -1.33 0.00 0.00 177.39 172.40 1x3b s GLN 139 N -4.08 0.46 -0.04 3.23 -0.21 -1.26 -5.08 119.66 112.67 1x3b s GLN 139 Ca 0.62 -0.69 -0.30 0.00 0.02 0.00 0.00 55.36 55.00 1x3b s GLN 139 Cb -0.22 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 1x3b s GLN 139 CO 0.63 -0.10 1.22 -1.25 -2.12 0.00 0.00 175.29 173.67 1x3b s PRO 140 N -2.08 4.35 0.22 2.91 0.04 -1.26 -4.92 135.00 134.26 1x3b s PRO 140 Ca -0.10 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1x3b s PRO 140 Cb -0.05 -3.54 0.30 0.00 0.04 0.00 0.00 34.50 31.25 1x3b s PRO 140 CO -0.03 -0.44 1.64 1.03 0.04 0.00 0.00 177.00 179.25 1x3b h SER 141 N 7.43 -0.42 -1.09 6.66 0.87 -2.00 -3.42 113.55 121.58 1x3b h SER 141 Ca -0.35 0.18 -0.47 0.00 -1.23 0.00 0.00 61.79 59.92 1x3b h SER 141 Cb 1.17 0.34 0.03 0.00 -0.44 0.00 0.00 62.40 63.49 1x3b h SER 141 CO 0.88 -0.17 -0.13 -0.83 -0.53 0.00 0.00 176.83 176.05 1x3b s GLY 142 N -3.50 1.79 0.01 5.77 0.00 -1.26 -5.04 107.32 105.09 1x3b s GLY 142 Ca -0.14 -1.97 -0.20 0.00 0.00 0.00 0.00 44.72 42.41 1x3b s GLY 142 CO 0.74 -1.59 1.13 -0.56 0.00 0.00 0.00 173.10 172.83 1x3b h PRO 143 N 0.26 0.40 -4.87 2.90 0.13 -2.04 -3.49 132.00 125.29 1x3b h PRO 143 Ca -0.33 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1x3b h PRO 143 Cb 1.29 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1x3b h PRO 143 CO 0.42 1.05 -0.58 0.43 -0.23 0.00 0.00 178.00 179.09 1x3b n SER 144 N -4.28 -7.04 -3.15 1.44 7.64 -1.26 -5.06 113.62 101.91 1x3b n SER 144 Ca -0.09 0.75 0.05 0.00 1.01 0.00 0.00 58.87 60.58 1x3b n SER 144 Cb 0.61 -4.69 -0.01 0.00 -1.01 0.00 0.00 64.21 59.12 1x3b n SER 144 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x3b s SER 145 N -1.97 -0.90 0.00 6.43 0.01 -1.26 -5.17 113.70 110.84 1x3b s SER 145 Ca 0.13 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.96 1x3b s SER 145 Cb -0.04 1.75 0.01 0.00 0.21 0.00 0.00 66.02 67.96 1x3b s SER 145 CO 0.65 -0.17 0.56 0.61 0.41 0.00 0.00 173.24 175.30