#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 -0.16 -0.27 1.61 0.01 -1.26 -5.19 113.70 108.44 1x3b s SER 2 Ca 0.00 -0.18 -0.33 0.00 1.31 0.00 0.00 55.95 56.75 1x3b s SER 2 Cb 0.00 0.31 0.17 0.00 0.21 0.00 0.00 66.02 66.71 1x3b s SER 2 CO 0.00 -0.54 1.33 -0.44 0.41 0.00 0.00 173.24 174.00 1x3b s SER 3 N -2.75 -0.06 0.00 2.44 0.01 -1.26 -5.18 113.70 106.91 1x3b s SER 3 Ca 0.11 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1x3b s SER 3 Cb 0.01 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1x3b s SER 3 CO -0.03 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1x3b n GLY 4 N 0.26 1.29 0.82 3.44 0.00 -1.26 -5.00 105.19 104.74 1x3b n GLY 4 Ca 0.01 -2.20 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 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 1.05 -4.79 1.61 2.88 -1.26 -5.03 113.62 108.09 1x3b n SER 5 Ca 0.00 0.15 -0.36 0.00 -1.33 0.00 0.00 58.87 57.33 1x3b n SER 5 Cb 0.00 -0.36 -0.07 0.00 -0.75 0.00 0.00 64.21 63.03 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 -5.86 6.18 0.59 -3.46 0.01 -1.26 -5.10 113.70 104.81 1x3b s SER 6 Ca -0.07 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1x3b s SER 6 Cb 0.02 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1x3b s SER 6 CO 0.10 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1x3b n GLY 7 N 2.71 -1.06 3.37 3.44 0.00 -1.26 -5.11 105.19 107.28 1x3b n GLY 7 Ca -0.18 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 1x3b n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x3b s MET 8 N -1.78 0.44 -0.33 1.61 1.00 -1.26 -5.12 119.30 113.85 1x3b s MET 8 Ca 0.00 1.15 0.02 0.00 0.00 0.00 0.00 55.69 56.86 1x3b s MET 8 Cb 0.00 0.49 0.10 0.00 0.00 0.00 0.00 34.83 35.42 1x3b s MET 8 CO 0.00 -0.29 0.06 0.20 0.00 0.00 0.00 175.02 174.99 1x3b s GLY 9 N 2.73 1.67 0.83 -0.03 0.00 -1.26 -5.04 107.32 106.21 1x3b s GLY 9 Ca -0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 44.72 42.33 1x3b s GLY 9 CO -0.16 1.14 0.98 -1.30 0.00 0.00 0.00 173.10 173.76 1x3b n THR 10 N 4.44 1.51 -0.35 0.90 -2.24 -1.26 -4.04 114.28 113.24 1x3b n THR 10 Ca 0.02 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 1x3b n THR 10 Cb 0.42 -1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 67.55 1x3b n THR 10 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1x3b n VAL 11 N -3.29 -0.56 -0.14 2.28 3.14 -1.26 0.16 118.33 118.66 1x3b n VAL 11 Ca 0.12 2.04 -0.05 0.00 -2.96 0.00 0.00 64.34 63.49 1x3b n VAL 11 Cb 0.51 -2.54 0.03 0.00 -1.06 0.00 0.00 33.84 30.78 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 0.40 -0.26 1.45 2.86 -1.89 -2.23 114.93 115.26 1x3b h MET 12 Ca 0.15 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1x3b h MET 12 Cb 0.36 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1x3b h MET 12 CO -0.80 0.26 0.00 -0.44 1.06 0.00 0.00 176.91 177.00 1x3b h ASP 13 N 0.41 -0.09 -1.35 1.22 5.19 0.45 0.11 116.42 122.35 1x3b h ASP 13 Ca 0.20 0.06 0.40 0.00 -0.62 0.00 0.00 57.03 57.06 1x3b h ASP 13 Cb 0.13 0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.66 1x3b h ASP 13 CO -0.15 -0.02 0.94 0.58 -3.12 0.00 0.00 179.24 177.47 1x3b h VAL 14 N 0.08 0.29 0.14 -1.35 2.07 0.21 1.45 116.25 119.15 1x3b h VAL 14 Ca 0.12 -0.03 -0.25 0.00 0.82 0.00 0.00 66.70 67.36 1x3b h VAL 14 Cb 0.16 0.19 0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1x3b h VAL 14 CO -0.20 0.02 -1.05 -0.07 0.02 0.00 0.00 177.57 176.28 1x3b h LEU 15 N 0.09 0.68 -0.23 2.57 3.38 -0.64 -2.71 115.31 118.45 1x3b h LEU 15 Ca 0.70 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1x3b h LEU 15 Cb 2.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 43.02 1x3b h LEU 15 CO -0.14 1.50 0.11 0.11 0.09 0.00 0.00 178.44 180.10 1x3b h LYS 16 N -0.04 0.34 -0.80 1.13 1.57 0.28 -2.51 116.57 116.53 1x3b h LYS 16 Ca -0.17 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1x3b h LYS 16 Cb 1.79 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.99 1x3b h LYS 16 CO 0.20 0.36 0.53 0.78 -0.57 0.00 0.00 179.45 180.74 1x3b h GLY 17 N 0.24 1.13 -4.71 3.86 0.00 0.89 -3.40 103.07 101.08 1x3b h GLY 17 Ca 0.08 -0.37 -0.55 0.00 0.00 0.00 0.00 47.33 46.49 1x3b h GLY 17 CO -0.01 0.30 0.27 -0.35 0.00 0.00 0.00 176.54 176.75 1x3b s ASP 18 N -6.18 7.20 0.01 0.19 -1.08 -0.95 -4.95 116.67 110.92 1x3b s ASP 18 Ca -0.11 1.45 -0.19 0.00 -0.52 0.00 0.00 52.55 53.18 1x3b s ASP 18 Cb 0.19 -2.50 -0.24 0.00 -1.46 0.00 0.00 42.92 38.91 1x3b s ASP 18 CO 0.79 -0.22 1.10 0.78 0.52 0.00 0.00 175.17 178.14 1x3b h ASN 19 N 6.82 0.56 -1.10 -0.34 2.35 -1.78 -3.21 115.58 118.88 1x3b h ASN 19 Ca -0.40 -0.76 0.36 0.00 -0.55 0.00 0.00 56.30 54.95 1x3b h ASN 19 Cb 1.20 -0.17 -0.14 0.00 0.05 0.00 0.00 38.32 39.26 1x3b h ASN 19 CO 0.76 1.25 0.66 0.03 -1.65 0.00 0.00 177.43 178.48 1x3b h ARG 20 N -0.07 0.22 -2.03 0.81 3.08 -1.92 0.25 114.38 114.72 1x3b h ARG 20 Ca -0.08 -0.01 -0.71 0.00 0.07 0.00 0.00 59.98 59.25 1x3b h ARG 20 Cb 1.35 -0.05 -0.33 0.00 0.08 0.00 0.00 29.97 31.02 1x3b h ARG 20 CO 0.13 0.14 0.33 1.19 -1.07 0.00 0.00 179.97 180.69 1x3b n PHE 21 N -4.92 3.23 -0.02 3.04 3.72 -1.21 -3.97 117.46 117.34 1x3b n PHE 21 Ca 0.33 -2.90 -0.01 0.00 -0.05 0.00 0.00 57.45 54.83 1x3b n PHE 21 Cb 1.14 -0.82 -0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1x3b n PHE 21 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1x3b h SER 22 N 3.25 0.00 -1.61 4.37 0.02 -0.58 -3.30 113.55 115.70 1x3b h SER 22 Ca 0.42 0.00 0.47 0.00 -0.84 0.00 0.00 61.79 61.84 1x3b h SER 22 Cb 0.39 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1x3b h SER 22 CO 1.12 0.20 1.15 0.24 -1.14 0.00 0.00 176.83 178.39 1x3b h MET 23 N -0.27 0.02 0.36 3.45 2.86 -1.85 0.59 114.93 120.09 1x3b h MET 23 Ca 0.00 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1x3b h MET 23 Cb 0.13 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1x3b h MET 23 CO 0.00 0.01 -0.17 1.25 1.06 0.00 0.00 176.91 179.06 1x3b h LEU 24 N 0.02 -0.41 -0.58 1.22 5.85 -1.90 -2.87 115.31 116.63 1x3b h LEU 24 Ca 0.78 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 59.50 1x3b h LEU 24 Cb 3.07 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 44.09 1x3b h LEU 24 CO -0.05 -0.12 -0.34 0.58 -0.34 0.00 0.00 178.44 178.17 1x3b h VAL 25 N -0.71 0.17 -0.92 1.05 2.07 0.10 0.59 116.25 118.59 1x3b h VAL 25 Ca -0.05 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.74 1x3b h VAL 25 Cb 0.50 0.17 -0.15 0.00 -1.52 0.00 0.00 31.29 30.28 1x3b h VAL 25 CO 0.08 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.92 1x3b h ALA 26 N 0.96 1.40 -0.55 1.67 0.00 -1.40 1.37 119.26 122.71 1x3b h ALA 26 Ca 0.22 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1x3b h ALA 26 Cb 0.55 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1x3b h ALA 26 CO -0.67 -0.55 0.36 0.00 0.00 0.00 0.00 179.25 178.39 1x3b h ALA 27 N 1.85 0.71 0.75 0.00 0.00 0.36 0.18 119.26 123.11 1x3b h ALA 27 Ca 0.61 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 1x3b h ALA 27 Cb 1.30 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x3b h ALA 27 CO -0.72 0.12 -0.36 0.82 0.00 0.00 0.00 179.25 179.11 1x3b h ILE 28 N 0.73 0.15 -0.56 0.00 2.04 0.25 0.60 117.51 120.72 1x3b h ILE 28 Ca 0.21 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 66.00 1x3b h ILE 28 Cb -0.06 0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 36.10 1x3b h ILE 28 CO -0.06 0.01 -0.26 -0.61 0.00 0.00 0.00 178.15 177.23 1x3b h GLN 29 N -1.16 -0.12 -0.75 2.37 -0.00 0.04 1.42 115.11 116.92 1x3b h GLN 29 Ca -0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.51 1x3b h GLN 29 Cb 0.79 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.26 1x3b h GLN 29 CO 0.17 -0.08 0.30 1.03 0.00 0.00 0.00 178.83 180.25 1x3b h SER 30 N -0.12 1.02 0.15 -0.69 0.87 -0.59 -1.63 113.55 112.56 1x3b h SER 30 Ca 0.25 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1x3b h SER 30 Cb 0.52 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1x3b h SER 30 CO -0.64 0.90 -0.25 0.00 -0.53 0.00 0.00 176.83 176.32 1x3b h ALA 31 N 1.24 1.40 -1.05 6.23 0.00 0.38 -3.47 119.26 123.99 1x3b h ALA 31 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x3b h ALA 31 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x3b h ALA 31 CO -0.02 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1x3b n GLY 32 N -0.64 0.85 0.02 0.00 0.00 0.45 -4.87 105.19 100.99 1x3b n GLY 32 Ca -0.01 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.52 0.00 -0.18 0.99 4.77 -1.02 -4.59 117.00 116.45 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 0.43 0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1x3b n LEU 33 CO 0.00 0.06 0.66 0.74 -1.33 0.00 0.00 177.39 177.52 1x3b h THR 34 N 0.00 0.24 -0.30 -5.08 2.02 -1.89 0.81 112.91 108.71 1x3b h THR 34 Ca -0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1x3b h THR 34 Cb 0.81 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 1x3b h THR 34 CO 0.00 0.00 -0.41 -0.33 0.37 0.00 0.00 175.52 175.15 1x3b h GLU 35 N -0.14 -0.37 -0.50 6.66 4.39 -1.94 1.43 114.58 124.11 1x3b h GLU 35 Ca 0.24 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.05 1x3b h GLU 35 Cb 0.52 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 1x3b h GLU 35 CO -0.63 -0.24 0.02 1.15 -1.16 0.00 0.00 179.01 178.15 1x3b h THR 36 N -0.38 0.63 0.00 1.13 2.02 -1.45 0.94 112.91 115.81 1x3b h THR 36 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1x3b h THR 36 Cb 0.59 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1x3b h THR 36 CO -0.50 0.03 0.00 0.18 0.37 0.00 0.00 175.52 175.60 1x3b n LEU 37 N -5.20 0.00 0.08 2.58 4.77 0.14 -2.14 117.00 117.22 1x3b n LEU 37 Ca 0.05 0.22 0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1x3b n LEU 37 Cb 0.26 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1x3b n LEU 37 CO 0.17 -0.05 -0.00 -1.13 -1.33 0.00 0.00 177.39 175.04 1x3b h ASN 38 N 0.00 0.00 -3.73 -1.43 -0.73 0.96 -3.41 115.58 107.24 1x3b h ASN 38 Ca 0.00 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.68 1x3b h ASN 38 Cb 0.17 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.78 1x3b h ASN 38 CO 0.00 0.49 0.15 0.00 -0.37 0.00 0.00 177.43 177.70 1x3b s ARG 39 N -2.99 3.69 0.81 6.67 1.70 -0.56 -5.05 118.95 123.22 1x3b s ARG 39 Ca -0.00 0.42 -0.11 0.00 -0.47 0.00 0.00 55.73 55.56 1x3b s ARG 39 Cb 0.08 -2.35 0.08 0.00 -0.57 0.00 0.00 34.95 32.20 1x3b s ARG 39 CO 0.79 -0.15 1.12 -1.21 -1.08 0.00 0.00 175.30 174.77 1x3b s GLU 40 N -4.28 1.87 0.00 3.89 2.02 -1.26 -4.84 118.70 116.09 1x3b s GLU 40 Ca 0.50 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.86 1x3b s GLU 40 Cb -0.10 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1x3b s GLU 40 CO 0.38 -1.96 0.00 0.41 0.02 0.00 0.00 175.26 174.11 1x3b n GLY 41 N -0.54 0.40 3.59 -1.39 0.00 -1.26 -5.08 105.19 100.91 1x3b n GLY 41 Ca 0.10 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.09 -0.00 -0.26 1.61 -7.23 -1.24 -4.28 120.40 108.90 1x3b s VAL 42 Ca 0.00 0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.12 1x3b s VAL 42 Cb 0.00 -0.95 0.13 0.00 0.56 0.00 0.00 36.38 36.13 1x3b s VAL 42 CO 0.00 0.00 0.54 -0.31 -0.31 0.00 0.00 175.10 175.02 1x3b s TYR 43 N 1.58 -1.18 -0.55 2.82 2.02 -1.26 -3.83 117.35 116.94 1x3b s TYR 43 Ca -0.10 1.76 -0.23 0.00 -0.37 0.00 0.00 57.07 58.13 1x3b s TYR 43 Cb -0.05 0.50 0.05 0.00 -0.40 0.00 0.00 41.96 42.05 1x3b s TYR 43 CO -0.19 -0.67 0.90 0.99 -1.57 0.00 0.00 175.55 175.01 1x3b s THR 44 N 2.76 4.45 0.19 -0.71 2.01 -1.15 -3.83 115.64 119.36 1x3b s THR 44 Ca 0.04 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.22 1x3b s THR 44 Cb -0.13 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1x3b s THR 44 CO -0.17 -1.10 0.11 -0.69 -0.69 0.00 0.00 174.62 172.08 1x3b s VAL 45 N 3.78 4.26 -0.18 3.82 1.01 -1.22 0.28 120.40 132.14 1x3b s VAL 45 Ca 0.28 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1x3b s VAL 45 Cb -0.14 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.09 1x3b s VAL 45 CO 0.17 -0.17 -0.03 -0.36 0.00 0.00 0.00 175.10 174.71 1x3b s PHE 46 N -1.85 1.62 -0.29 5.22 0.08 -1.09 -2.03 117.98 119.65 1x3b s PHE 46 Ca 0.31 -1.11 -0.08 0.00 0.12 0.00 0.00 56.93 56.16 1x3b s PHE 46 Cb -0.09 -1.27 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1x3b s PHE 46 CO 0.22 -0.63 0.12 0.00 -0.10 0.00 0.00 175.22 174.83 1x3b s ALA 47 N 1.66 3.21 0.98 5.36 0.00 -1.24 -4.82 121.76 126.91 1x3b s ALA 47 Ca -0.01 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1x3b s ALA 47 Cb -0.16 -2.25 0.18 0.00 0.00 0.00 0.00 23.12 20.88 1x3b s ALA 47 CO -0.07 -0.77 1.17 -1.25 0.00 0.00 0.00 175.76 174.83 1x3b s PRO 48 N 1.60 0.58 1.06 0.00 0.04 -1.26 -1.00 135.00 136.01 1x3b s PRO 48 Ca 0.05 0.08 -0.18 0.00 0.04 0.00 0.00 61.00 60.99 1x3b s PRO 48 Cb -0.16 -1.79 0.25 0.00 0.04 0.00 0.00 34.50 32.84 1x3b s PRO 48 CO 0.05 -2.54 1.18 0.25 0.04 0.00 0.00 177.00 175.98 1x3b n THR 49 N -3.96 0.00 -0.03 1.26 -2.24 -0.74 -4.69 114.28 103.88 1x3b n THR 49 Ca 0.10 -0.72 -0.15 0.00 -2.27 0.00 0.00 64.05 61.01 1x3b n THR 49 Cb 0.59 -1.39 -0.09 0.00 -2.10 0.00 0.00 70.33 67.34 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 -2.15 0.45 0.29 3.42 -1.24 -1.94 -2.90 115.58 111.51 1x3b h ASN 50 Ca -0.41 -0.64 0.00 0.00 0.71 0.00 0.00 56.30 55.96 1x3b h ASN 50 Cb 1.17 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.09 1x3b h ASN 50 CO 0.28 1.01 0.00 -0.33 -1.29 0.00 0.00 177.43 177.10 1x3b h GLU 51 N -0.09 0.00 0.31 6.67 4.39 -1.94 -2.45 114.58 121.47 1x3b h GLU 51 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1x3b h GLU 51 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1x3b h GLU 51 CO 0.07 0.00 -0.15 0.00 -1.16 0.00 0.00 179.01 177.77 1x3b h ALA 52 N 2.09 -0.42 0.00 3.43 0.00 -1.83 -2.06 119.26 120.47 1x3b h ALA 52 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1x3b h ALA 52 Cb 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1x3b h ALA 52 CO 0.00 -0.57 -0.26 0.74 0.00 0.00 0.00 179.25 179.17 1x3b h PHE 53 N -0.75 0.00 0.00 0.00 -1.00 -1.51 -1.81 116.94 111.87 1x3b h PHE 53 Ca -0.04 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 1x3b h PHE 53 Cb 0.50 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1x3b h PHE 53 CO 0.02 0.26 -0.28 0.00 -1.61 0.00 0.00 178.31 176.70 1x3b h ARG 54 N 0.00 0.00 -0.24 1.51 3.08 -1.35 -2.58 114.38 114.80 1x3b h ARG 54 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1x3b h ARG 54 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1x3b h ARG 54 CO 0.03 0.28 -0.48 0.00 -1.07 0.00 0.00 179.97 178.74 1x3b h ALA 55 N 1.72 0.38 -1.31 0.04 0.00 -0.59 -3.45 119.26 116.05 1x3b h ALA 55 Ca -0.00 -0.49 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 1x3b h ALA 55 Cb 0.57 -0.06 0.10 0.00 0.00 0.00 0.00 17.79 18.40 1x3b h ALA 55 CO 0.04 0.54 -0.26 1.28 0.00 0.00 0.00 179.25 180.85 1x3b n LEU 56 N -4.13 -0.17 -4.80 0.00 4.77 -0.98 -4.92 117.00 106.78 1x3b n LEU 56 Ca -0.05 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.78 1x3b n LEU 56 Cb 0.58 -1.05 0.11 0.00 -2.33 0.00 0.00 43.42 40.73 1x3b n LEU 56 CO 0.48 -2.38 0.71 -2.16 -1.33 0.00 0.00 177.39 172.72 1x3b s PRO 57 N -1.02 1.69 0.00 3.23 0.04 -1.26 -4.83 135.00 132.85 1x3b s PRO 57 Ca 0.65 0.49 0.22 0.00 0.04 0.00 0.00 61.00 62.41 1x3b s PRO 57 Cb -0.89 -1.89 1.09 0.00 0.04 0.00 0.00 34.50 32.85 1x3b s PRO 57 CO 0.57 -1.86 1.73 -0.35 0.04 0.00 0.00 177.00 177.13 1x3b n PRO 58 N -3.57 0.24 -0.02 0.56 -0.04 -1.26 -0.45 135.00 130.46 1x3b n PRO 58 Ca 0.07 0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1x3b n PRO 58 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.34 0.67 0.03 0.54 1.74 -1.26 -3.99 116.66 113.05 1x3b n ARG 59 Ca 0.09 0.27 0.11 0.00 -0.77 0.00 0.00 57.85 57.55 1x3b n ARG 59 Cb 0.20 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 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 -3.15 0.46 0.10 5.56 2.13 -1.09 -3.84 120.64 120.81 1x3b n GLU 60 Ca -0.23 -0.05 -0.04 0.00 0.66 0.00 0.00 57.16 57.50 1x3b n GLU 60 Cb 1.06 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 31.14 1x3b n GLU 60 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1x3b h ARG 61 N 0.00 -0.26 -0.05 5.31 9.65 -0.91 -2.58 114.38 125.54 1x3b h ARG 61 Ca 0.00 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1x3b h ARG 61 Cb 0.86 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.49 1x3b h ARG 61 CO 0.00 -0.17 0.07 1.03 2.80 0.00 0.00 179.97 183.70 1x3b h SER 62 N -0.32 0.00 -0.01 -3.80 0.87 -1.79 0.75 113.55 109.26 1x3b h SER 62 Ca -0.03 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1x3b h SER 62 Cb 0.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1x3b h SER 62 CO 0.04 0.00 -0.03 0.03 -0.53 0.00 0.00 176.83 176.34 1x3b h ARG 63 N 0.00 -0.05 0.07 2.24 2.47 -1.63 1.36 114.38 118.85 1x3b h ARG 63 Ca 0.02 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.47 1x3b h ARG 63 Cb 0.17 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1x3b h ARG 63 CO -0.00 -0.03 -1.45 -0.07 0.56 0.00 0.00 179.97 178.98 1x3b h LEU 64 N -0.05 0.25 -1.63 3.04 3.38 -0.91 0.56 115.31 119.95 1x3b h LEU 64 Ca 0.02 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1x3b h LEU 64 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1x3b h LEU 64 CO -0.04 1.61 0.00 -0.07 0.09 0.00 0.00 178.44 180.03 1x3b h LEU 65 N -0.47 0.00 0.00 1.67 3.38 0.45 -3.34 115.31 116.99 1x3b h LEU 65 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1x3b h LEU 65 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1x3b h LEU 65 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1x3b n GLY 66 N -0.76 -0.23 3.71 0.83 0.00 0.47 -4.95 105.19 104.25 1x3b n GLY 66 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.97 6.43 -0.16 1.61 2.15 0.19 -4.90 116.67 120.01 1x3b s ASP 67 Ca 0.00 2.79 -0.26 0.00 0.43 0.00 0.00 52.55 55.51 1x3b s ASP 67 Cb 0.00 -2.59 -0.23 0.00 -0.30 0.00 0.00 42.92 39.80 1x3b s ASP 67 CO 0.00 -0.96 0.60 0.00 -0.17 0.00 0.00 175.17 174.64 1x3b h ALA 68 N 7.38 0.07 -0.92 3.66 0.00 -1.82 -2.89 119.26 124.74 1x3b h ALA 68 Ca -0.44 -0.68 0.10 0.00 0.00 0.00 0.00 54.91 53.89 1x3b h ALA 68 Cb 1.21 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 1x3b h ALA 68 CO 0.95 0.19 -0.54 0.87 0.00 0.00 0.00 179.25 180.71 1x3b h LYS 69 N -1.00 -0.05 -0.56 0.00 1.79 -1.94 1.15 116.57 115.96 1x3b h LYS 69 Ca -0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1x3b h LYS 69 Cb 1.05 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.69 1x3b h LYS 69 CO -0.06 -0.03 0.31 0.93 -1.08 0.00 0.00 179.45 179.52 1x3b h GLU 70 N -0.05 0.77 0.00 3.15 5.08 -1.88 -1.14 114.58 120.51 1x3b h GLU 70 Ca 0.19 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1x3b h GLU 70 Cb 0.47 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x3b h GLU 70 CO -0.90 0.57 -0.00 1.25 -1.00 0.00 0.00 179.01 178.92 1x3b h LEU 71 N 0.78 -0.00 -0.55 1.33 6.46 0.15 -0.93 115.31 122.55 1x3b h LEU 71 Ca 0.20 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 58.07 1x3b h LEU 71 Cb 0.02 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.85 1x3b h LEU 71 CO -0.03 -0.00 -0.02 0.00 -0.62 0.00 0.00 178.44 177.76 1x3b h ALA 72 N -1.61 0.50 -0.98 1.25 0.00 -0.89 0.14 119.26 117.67 1x3b h ALA 72 Ca -0.00 0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.35 1x3b h ALA 72 Cb 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 17.91 1x3b h ALA 72 CO -0.00 -0.40 0.01 -1.71 0.00 0.00 0.00 179.25 177.15 1x3b n ASN 73 N -5.27 -0.13 0.22 0.00 5.15 -0.44 0.19 115.26 114.98 1x3b n ASN 73 Ca 0.07 1.67 -0.11 0.00 -0.60 0.00 0.00 54.58 55.61 1x3b n ASN 73 Cb 0.30 -0.60 -0.05 0.00 -0.53 0.00 0.00 39.78 38.89 1x3b n ASN 73 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1x3b h ILE 74 N 0.00 0.12 -0.70 -1.44 1.08 0.61 -2.68 117.51 114.50 1x3b h ILE 74 Ca 0.59 -0.56 0.11 0.00 -0.39 0.00 0.00 64.86 64.62 1x3b h ILE 74 Cb 1.20 0.18 -0.12 0.00 -3.07 0.00 0.00 36.82 35.01 1x3b h ILE 74 CO -0.93 0.03 -0.37 -0.07 -0.69 0.00 0.00 178.15 176.11 1x3b h LEU 75 N -1.13 -1.31 -0.55 1.44 3.38 0.64 0.34 115.31 118.11 1x3b h LEU 75 Ca -0.06 0.25 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1x3b h LEU 75 Cb 0.52 0.65 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 1x3b h LEU 75 CO 0.10 -0.30 -0.35 0.11 0.09 0.00 0.00 178.44 178.09 1x3b h LYS 76 N -0.13 -0.18 0.00 1.13 1.57 0.20 1.46 116.57 120.61 1x3b h LYS 76 Ca 0.25 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1x3b h LYS 76 Cb 0.56 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1x3b h LYS 76 CO -0.77 -0.12 -0.01 -0.92 -0.57 0.00 0.00 179.45 177.06 1x3b h TYR 77 N -0.19 0.00 0.00 -1.35 3.20 -0.17 0.20 116.97 118.66 1x3b h TYR 77 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1x3b h TYR 77 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1x3b h TYR 77 CO -0.63 0.01 -0.44 0.45 -1.64 0.00 0.00 178.16 175.91 1x3b h HIS 78 N 0.00 0.00 -2.87 -3.82 3.86 0.53 -3.45 115.15 109.39 1x3b h HIS 78 Ca -0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1x3b h HIS 78 Cb 0.08 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 1x3b h HIS 78 CO 0.00 0.00 -0.52 0.42 0.86 0.00 0.00 177.93 178.69 1x3b s ILE 79 N -3.26 5.23 0.32 2.45 1.01 0.14 -2.66 121.20 124.42 1x3b s ILE 79 Ca 0.04 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.60 1x3b s ILE 79 Cb 0.08 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1x3b s ILE 79 CO 0.72 0.38 0.06 -0.83 0.00 0.00 0.00 174.94 175.26 1x3b s GLY 80 N -1.74 1.89 -0.65 6.18 0.00 0.14 -3.28 107.32 109.87 1x3b s GLY 80 Ca 0.24 -1.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 1x3b s GLY 80 CO 0.15 -1.79 1.98 1.34 0.00 0.00 0.00 173.10 174.78 1x3b n ASP 81 N -1.01 7.51 0.00 1.64 2.03 -0.17 -2.94 116.55 123.61 1x3b n ASP 81 Ca -0.04 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.48 1x3b n ASP 81 Cb 0.61 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1x3b n GLU 82 N -0.89 0.00 -3.24 -0.67 0.28 -1.25 -4.94 120.64 109.93 1x3b n GLU 82 Ca 0.61 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.23 1x3b n GLU 82 Cb 0.66 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.48 1x3b n GLU 82 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x3b s ILE 83 N -2.00 4.98 -0.06 3.84 -1.09 -1.26 -3.21 121.20 122.40 1x3b s ILE 83 Ca 0.00 1.17 -0.03 0.00 -2.23 0.00 0.00 60.65 59.56 1x3b s ILE 83 Cb 0.00 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1x3b s ILE 83 CO 0.00 0.40 0.11 -0.22 -1.23 0.00 0.00 174.94 174.01 1x3b s LEU 84 N -0.05 0.02 0.09 2.97 0.20 -1.26 -5.06 118.68 115.59 1x3b s LEU 84 Ca 0.30 0.21 0.01 0.00 0.69 0.00 0.00 54.13 55.35 1x3b s LEU 84 Cb -0.17 0.08 -0.04 0.00 -0.43 0.00 0.00 46.19 45.63 1x3b s LEU 84 CO 0.16 -0.25 -0.06 0.68 -0.29 0.00 0.00 176.35 176.59 1x3b s VAL 85 N 2.24 0.64 -0.71 1.68 -7.23 -1.26 -4.96 120.40 110.79 1x3b s VAL 85 Ca 0.04 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.15 1x3b s VAL 85 Cb -0.12 -1.62 -0.14 0.00 0.56 0.00 0.00 36.38 35.06 1x3b s VAL 85 CO -0.04 -0.86 1.90 -0.24 -0.31 0.00 0.00 175.10 175.55 1x3b n SER 86 N 0.04 2.89 -2.80 4.85 2.88 -1.26 -4.43 113.62 115.78 1x3b n SER 86 Ca -0.13 -2.55 -0.17 0.00 -1.33 0.00 0.00 58.87 54.69 1x3b n SER 86 Cb 0.61 -1.04 -0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1x3b n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 87 N 4.35 3.46 0.00 0.46 0.00 -1.26 -4.89 105.19 107.31 1x3b n GLY 87 Ca 0.46 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.07 0.40 3.26 -0.02 0.00 -1.26 -5.11 105.19 102.39 1x3b n GLY 88 Ca 0.22 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1x3b n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x3b s ILE 89 N 0.00 4.37 0.30 -0.61 -1.09 -1.26 -4.94 121.20 117.96 1x3b s ILE 89 Ca 0.00 -1.51 0.03 0.00 -2.23 0.00 0.00 60.65 56.94 1x3b s ILE 89 Cb 0.00 -3.75 0.29 0.00 -1.58 0.00 0.00 42.46 37.43 1x3b s ILE 89 CO 0.00 -0.63 1.83 1.23 -1.23 0.00 0.00 174.94 176.14 1x3b h GLY 90 N 8.48 1.59 0.00 6.18 0.00 -1.99 -3.45 103.07 113.89 1x3b h GLY 90 Ca -0.23 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1x3b h GLY 90 CO 0.82 0.11 0.00 0.00 0.00 0.00 0.00 176.54 177.47 1x3b n ALA 91 N -2.36 0.00 -2.68 3.60 0.00 -1.26 -5.08 120.51 112.73 1x3b n ALA 91 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 1x3b n ALA 91 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 -4.35 2.11 -0.04 0.00 1.98 -1.26 -3.89 118.68 113.22 1x3b s LEU 92 Ca 0.00 -0.62 -0.03 0.00 -2.89 0.00 0.00 54.13 50.59 1x3b s LEU 92 Cb 0.00 0.33 0.02 0.00 0.66 0.00 0.00 46.19 47.20 1x3b s LEU 92 CO 0.00 -0.45 0.11 -0.69 -1.89 0.00 0.00 176.35 173.43 1x3b s VAL 93 N -2.46 -0.02 -0.32 1.68 1.01 -0.45 -4.99 120.40 114.85 1x3b s VAL 93 Ca -0.06 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1x3b s VAL 93 Cb -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 1x3b s VAL 93 CO -0.04 0.03 0.17 -0.13 0.00 0.00 0.00 175.10 175.12 1x3b s ARG 94 N 0.42 3.29 -0.30 2.72 0.52 -1.26 -2.00 118.95 122.35 1x3b s ARG 94 Ca -0.03 -0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 54.34 1x3b s ARG 94 Cb -0.04 -3.61 -0.00 0.00 0.52 0.00 0.00 34.95 31.81 1x3b s ARG 94 CO -0.02 -0.45 0.11 -1.17 0.02 0.00 0.00 175.30 173.79 1x3b s LEU 95 N 1.62 3.91 -0.02 2.53 0.20 -0.04 -4.94 118.68 121.94 1x3b s LEU 95 Ca 0.04 -0.57 -0.30 0.00 0.69 0.00 0.00 54.13 53.99 1x3b s LEU 95 Cb -0.17 -1.94 -0.06 0.00 -0.43 0.00 0.00 46.19 43.60 1x3b s LEU 95 CO 0.07 -0.18 1.48 -0.75 -0.29 0.00 0.00 176.35 176.68 1x3b s LYS 96 N 1.56 4.24 0.18 1.98 2.20 -1.26 0.16 119.74 128.80 1x3b s LYS 96 Ca 0.04 2.04 -0.07 0.00 -0.36 0.00 0.00 55.97 57.61 1x3b s LYS 96 Cb -0.17 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.41 1x3b s LYS 96 CO 0.04 -0.67 0.46 -1.54 -0.36 0.00 0.00 175.35 173.28 1x3b s SER 97 N 2.27 6.56 0.37 1.43 1.04 -0.99 -1.00 113.70 123.37 1x3b s SER 97 Ca 0.66 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.90 1x3b s SER 97 Cb -0.32 -2.16 0.74 0.00 0.10 0.00 0.00 66.02 64.38 1x3b s SER 97 CO 0.27 -0.00 1.99 -0.07 0.98 0.00 0.00 173.24 176.40 1x3b h LEU 98 N 2.71 0.64 -2.78 2.42 4.07 -1.68 0.23 115.31 120.93 1x3b h LEU 98 Ca -0.46 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1x3b h LEU 98 Cb 1.17 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1x3b h LEU 98 CO 0.71 0.44 0.00 -0.61 -1.08 0.00 0.00 178.44 177.90 1x3b h GLN 99 N 0.74 0.00 0.00 1.13 -0.00 -1.83 -3.46 115.11 111.69 1x3b h GLN 99 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1x3b h GLN 99 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.60 1x3b h GLN 99 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 178.83 179.16 1x3b n GLY 100 N -1.11 3.19 3.72 2.39 0.00 0.82 -4.98 105.19 109.21 1x3b n GLY 100 Ca -0.03 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 6.76 -0.02 1.61 1.01 -1.26 -4.47 116.67 120.30 1x3b s ASP 101 Ca 0.00 2.45 -0.30 0.00 0.71 0.00 0.00 52.55 55.42 1x3b s ASP 101 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1x3b s ASP 101 CO 0.00 -0.68 0.97 -0.54 0.21 0.00 0.00 175.17 175.14 1x3b s LYS 102 N 0.71 4.53 0.45 8.23 3.01 -1.26 -2.36 119.74 133.06 1x3b s LYS 102 Ca 0.64 1.40 -0.10 0.00 -1.01 0.00 0.00 55.97 56.89 1x3b s LYS 102 Cb -0.39 -3.47 -0.06 0.00 -1.01 0.00 0.00 37.83 32.90 1x3b s LYS 102 CO 0.33 -0.09 0.82 -0.51 0.51 0.00 0.00 175.35 176.42 1x3b s LEU 103 N 1.17 3.72 -0.12 3.17 1.43 0.41 -4.85 118.68 123.61 1x3b s LEU 103 Ca 0.51 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1x3b s LEU 103 Cb -0.20 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 1x3b s LEU 103 CO 0.26 -0.49 -0.11 -0.70 0.23 0.00 0.00 176.35 175.54 1x3b s GLU 104 N -4.13 3.31 -0.05 1.70 2.12 -1.26 -0.86 118.70 119.53 1x3b s GLU 104 Ca 0.52 -0.65 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 1x3b s GLU 104 Cb -0.10 -2.65 0.04 0.00 0.26 0.00 0.00 34.13 31.67 1x3b s GLU 104 CO 0.35 0.29 0.10 0.08 -0.54 0.00 0.00 175.26 175.54 1x3b s VAL 105 N 0.17 -0.12 0.28 3.70 1.01 -0.85 -2.36 120.40 122.23 1x3b s VAL 105 Ca -0.06 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1x3b s VAL 105 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1x3b s VAL 105 CO 0.04 0.12 0.19 -0.94 0.00 0.00 0.00 175.10 174.52 1x3b s SER 106 N 1.69 1.16 -0.17 3.32 1.04 -1.18 -1.34 113.70 118.22 1x3b s SER 106 Ca -0.02 -1.58 0.01 0.00 0.48 0.00 0.00 55.95 54.83 1x3b s SER 106 Cb -0.12 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.48 1x3b s SER 106 CO -0.05 -0.94 -0.12 -0.22 0.98 0.00 0.00 173.24 172.90 1x3b s LEU 107 N -3.31 1.94 -0.02 2.42 2.96 -1.25 -2.79 118.68 118.63 1x3b s LEU 107 Ca 0.38 -0.67 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1x3b s LEU 107 Cb 0.05 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.56 1x3b s LEU 107 CO 0.19 -0.10 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.54 1x3b s LYS 108 N 1.46 0.53 -1.34 1.98 1.02 0.08 -4.74 119.74 118.73 1x3b s LYS 108 Ca 0.02 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1x3b s LYS 108 Cb -0.14 -0.57 0.00 0.00 -0.52 0.00 0.00 37.83 36.60 1x3b s LYS 108 CO -0.09 -0.01 0.00 -1.71 -0.92 0.00 0.00 175.35 172.61 1x3b n ASN 109 N 3.61 -5.55 0.00 2.83 2.85 -1.26 0.69 115.26 118.42 1x3b n ASN 109 Ca -0.21 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1x3b n ASN 109 Cb 0.54 -4.16 0.00 0.00 1.24 0.00 0.00 39.78 37.40 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1x3b n ASN 110 N -1.11 -2.71 -4.71 1.20 2.85 -1.26 -5.03 115.26 104.49 1x3b n ASN 110 Ca -0.13 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.05 1x3b n ASN 110 Cb 0.59 -0.45 -0.07 0.00 1.24 0.00 0.00 39.78 41.08 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 -2.00 4.14 -0.15 3.44 1.01 0.22 -5.11 120.40 121.95 1x3b s VAL 111 Ca 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1x3b s VAL 111 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1x3b s VAL 111 CO 0.00 0.07 0.05 -0.69 0.00 0.00 0.00 175.10 174.54 1x3b s VAL 112 N -1.41 4.71 0.09 2.92 1.01 -1.26 -0.74 120.40 125.71 1x3b s VAL 112 Ca 0.27 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1x3b s VAL 112 Cb -0.11 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1x3b s VAL 112 CO 0.20 0.51 -0.19 -0.44 0.00 0.00 0.00 175.10 175.18 1x3b s SER 113 N -0.07 2.28 -0.27 3.32 0.01 -1.12 -2.45 113.70 115.40 1x3b s SER 113 Ca 0.06 -0.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.66 1x3b s SER 113 Cb -0.12 -0.12 0.09 0.00 0.21 0.00 0.00 66.02 66.08 1x3b s SER 113 CO 0.01 0.03 0.09 0.54 0.41 0.00 0.00 173.24 174.32 1x3b s VAL 114 N -1.14 0.59 -0.38 3.43 0.11 -0.12 -3.10 120.40 119.79 1x3b s VAL 114 Ca 0.04 -1.04 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 1x3b s VAL 114 Cb -0.10 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1x3b s VAL 114 CO 0.03 -0.55 0.09 0.59 -3.33 0.00 0.00 175.10 171.93 1x3b n ASN 115 N 4.98 -2.40 -0.83 3.54 3.02 -1.00 -2.77 115.26 119.80 1x3b n ASN 115 Ca -0.05 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.37 1x3b n ASN 115 Cb 0.43 -1.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.07 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 -1.48 -0.65 -5.07 3.52 5.02 -1.26 -5.02 118.16 113.22 1x3b n LYS 116 Ca -0.04 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.53 1x3b n LYS 116 Cb 0.53 -4.52 -0.15 0.00 -0.02 0.00 0.00 35.03 30.88 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 -3.64 2.42 0.12 1.97 2.02 -1.11 -5.10 118.70 115.36 1x3b s GLU 117 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1x3b s GLU 117 Cb 0.00 -2.25 -0.06 0.00 0.10 0.00 0.00 34.13 31.92 1x3b s GLU 117 CO 0.00 0.55 1.14 -1.25 0.02 0.00 0.00 175.26 175.72 1x3b s PRO 118 N -0.57 4.51 0.23 0.39 0.04 -1.26 -0.95 135.00 137.40 1x3b s PRO 118 Ca 0.08 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1x3b s PRO 118 Cb -0.11 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.04 1x3b s PRO 118 CO 0.01 -0.09 0.66 0.08 0.04 0.00 0.00 177.00 177.70 1x3b s VAL 119 N 0.40 4.73 -0.02 -0.36 1.01 -1.02 -2.58 120.40 122.55 1x3b s VAL 119 Ca 0.54 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1x3b s VAL 119 Cb -0.29 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1x3b s VAL 119 CO 0.32 0.07 0.22 0.00 0.00 0.00 0.00 175.10 175.71 1x3b h ALA 120 N 3.00 -0.21 -2.03 5.51 0.00 0.26 -3.45 119.26 122.35 1x3b h ALA 120 Ca -0.48 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.00 1x3b h ALA 120 Cb 1.18 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.69 1x3b h ALA 120 CO 0.66 -0.20 -0.73 -1.21 0.00 0.00 0.00 179.25 177.77 1x3b s GLU 121 N -1.70 0.68 0.98 0.00 0.41 -0.92 -4.99 118.70 113.16 1x3b s GLU 121 Ca -0.01 -1.07 -0.14 0.00 -0.41 0.00 0.00 54.97 53.34 1x3b s GLU 121 Cb 0.00 -0.84 0.18 0.00 -1.78 0.00 0.00 34.13 31.69 1x3b s GLU 121 CO 0.04 -1.23 1.17 -1.25 -0.49 0.00 0.00 175.26 173.50 1x3b s PRO 122 N 1.21 0.59 -0.17 0.39 0.04 -1.26 -3.07 135.00 132.72 1x3b s PRO 122 Ca 0.19 0.08 -0.01 0.00 0.04 0.00 0.00 61.00 61.31 1x3b s PRO 122 Cb -0.14 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1x3b s PRO 122 CO -0.03 -2.53 0.15 -3.47 0.04 0.00 0.00 177.00 171.16 1x3b n ASP 123 N -3.95 -2.80 -4.09 6.66 -0.08 -1.23 -4.94 116.55 106.12 1x3b n ASP 123 Ca 0.10 -0.11 -0.36 0.00 -1.51 0.00 0.00 54.79 52.90 1x3b n ASP 123 Cb 0.59 -1.32 -0.10 0.00 2.34 0.00 0.00 41.12 42.63 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1x3b s ILE 124 N -3.06 3.52 0.38 5.18 1.01 -0.07 -4.98 121.20 123.17 1x3b s ILE 124 Ca 0.07 -2.74 -0.27 0.00 0.00 0.00 0.00 60.65 57.71 1x3b s ILE 124 Cb -0.01 -3.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1x3b s ILE 124 CO 0.13 -0.82 1.31 -0.04 0.00 0.00 0.00 174.94 175.52 1x3b s MET 125 N 0.24 4.11 0.00 2.79 -1.94 -1.26 -0.20 119.30 123.04 1x3b s MET 125 Ca 0.15 2.20 0.00 0.00 -1.71 0.00 0.00 55.69 56.32 1x3b s MET 125 Cb -0.21 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.76 1x3b s MET 125 CO -0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 175.02 174.58 1x3b n ALA 126 N 0.37 0.00 0.10 3.03 0.00 0.07 -4.89 120.51 119.19 1x3b n ALA 126 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1x3b n ALA 126 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 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 0.64 0.47 -0.06 0.00 1.35 -1.89 -3.40 112.91 110.02 1x3b h THR 127 Ca 0.00 -1.78 -0.22 0.00 -0.55 0.00 0.00 66.41 63.86 1x3b h THR 127 Cb 0.00 2.06 -0.17 0.00 -1.73 0.00 0.00 68.15 68.31 1x3b h THR 127 CO 0.00 0.27 -0.39 -0.46 -0.25 0.00 0.00 175.52 174.68 1x3b n ASN 128 N -2.98 -1.59 0.00 5.36 6.94 -1.26 -5.01 115.26 116.72 1x3b n ASN 128 Ca -0.03 -2.42 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 1x3b n ASN 128 Cb 0.72 0.85 0.00 0.00 -2.36 0.00 0.00 39.78 38.99 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 -0.75 -1.01 3.21 4.83 0.00 -1.26 -3.61 105.19 106.60 1x3b n GLY 129 Ca -0.05 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 0.01 0.02 1.61 0.11 -1.25 -0.75 120.40 117.15 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 -2.50 0.01 0.00 -1.53 0.00 0.00 36.38 32.36 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 -4.11 0.09 -0.29 2.04 1.01 0.73 -3.44 120.40 116.42 1x3b s VAL 131 Ca 0.39 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1x3b s VAL 131 Cb 0.07 -0.80 0.10 0.00 0.00 0.00 0.00 36.38 35.75 1x3b s VAL 131 CO 0.13 -0.39 0.14 -1.00 0.00 0.00 0.00 175.10 173.98 1x3b s HIS 132 N -2.15 0.28 0.17 5.22 3.76 -0.86 -0.90 115.29 120.82 1x3b s HIS 132 Ca -0.08 -0.85 -0.33 0.00 -0.15 0.00 0.00 55.06 53.65 1x3b s HIS 132 Cb -0.03 -0.88 -0.13 0.00 1.11 0.00 0.00 32.58 32.66 1x3b s HIS 132 CO -0.01 -0.84 1.67 0.28 -0.85 0.00 0.00 174.74 175.00 1x3b n VAL 133 N 5.23 0.06 -3.54 -0.90 0.31 -1.18 -3.66 118.33 114.65 1x3b n VAL 133 Ca -0.05 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.05 1x3b n VAL 133 Cb 0.42 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 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 1.31 2.54 -0.23 2.52 -4.36 -0.17 0.23 121.20 123.03 1x3b s ILE 134 Ca 0.78 -1.32 0.10 0.00 -0.26 0.00 0.00 60.65 59.95 1x3b s ILE 134 Cb -0.59 -2.86 0.44 0.00 1.25 0.00 0.00 42.46 40.69 1x3b s ILE 134 CO 0.36 0.00 1.26 0.35 0.24 0.00 0.00 174.94 177.15 1x3b n THR 135 N -1.62 2.29 0.00 8.37 -2.24 -1.07 -1.79 114.28 118.22 1x3b n THR 135 Ca 0.04 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.59 1x3b n THR 135 Cb 0.62 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1x3b n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x3b n ASN 136 N -1.10 0.00 -4.60 3.42 4.13 -1.26 -4.83 115.26 111.01 1x3b n ASN 136 Ca 0.23 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 56.06 1x3b n ASN 136 Cb 0.76 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.98 1x3b n ASN 136 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x3b s VAL 137 N -1.80 4.04 0.95 2.41 1.01 -1.26 -4.72 120.40 121.03 1x3b s VAL 137 Ca 0.00 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 1x3b s VAL 137 Cb 0.00 -4.34 0.17 0.00 0.00 0.00 0.00 36.38 32.20 1x3b s VAL 137 CO 0.00 -0.81 1.12 -0.76 0.00 0.00 0.00 175.10 174.65 1x3b s LEU 138 N 4.96 2.47 0.03 3.92 1.43 -1.26 -5.05 118.68 125.18 1x3b s LEU 138 Ca 0.56 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1x3b s LEU 138 Cb -0.12 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 1x3b s LEU 138 CO 0.31 -3.24 -0.03 -1.10 0.23 0.00 0.00 176.35 172.51 1x3b s GLN 139 N -4.64 0.37 0.68 1.70 -0.21 -1.26 -5.07 119.66 111.24 1x3b s GLN 139 Ca 0.67 -0.70 -0.12 0.00 0.02 0.00 0.00 55.36 55.23 1x3b s GLN 139 Cb -0.23 0.08 -0.00 0.00 1.00 0.00 0.00 33.01 33.87 1x3b s GLN 139 CO 0.59 -0.05 1.06 -1.25 -2.12 0.00 0.00 175.29 173.52 1x3b s PRO 140 N -1.79 3.01 -0.21 2.91 0.04 -1.26 -5.01 135.00 132.69 1x3b s PRO 140 Ca -0.12 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 1x3b s PRO 140 Cb -0.08 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 1x3b s PRO 140 CO -0.02 -1.04 0.08 0.45 0.04 0.00 0.00 177.00 176.51 1x3b n SER 141 N -2.95 1.86 -0.41 6.66 2.88 -1.26 -5.08 113.62 115.33 1x3b n SER 141 Ca 0.08 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1x3b n SER 141 Cb 0.53 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1x3b n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 142 N 1.44 -0.91 0.07 0.46 0.00 -1.26 -4.37 105.19 100.61 1x3b n GLY 142 Ca -0.31 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1x3b n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3b h PRO 143 N 0.00 -0.02 -1.72 1.61 0.13 -2.08 -3.47 132.00 126.45 1x3b h PRO 143 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1x3b h PRO 143 Cb 0.00 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 30.89 1x3b h PRO 143 CO 0.00 0.68 0.26 0.45 -0.23 0.00 0.00 178.00 179.16 1x3b s SER 144 N -5.91 -0.66 0.26 1.44 0.15 -1.26 -5.07 113.70 102.66 1x3b s SER 144 Ca -0.17 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1x3b s SER 144 Cb -0.01 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 1x3b s SER 144 CO 0.65 -0.17 0.00 -0.24 1.20 0.00 0.00 173.24 174.67 1x3b n SER 145 N 3.69 -0.57 0.00 5.45 2.88 -1.26 -5.19 113.62 118.61 1x3b n SER 145 Ca -0.18 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1x3b n SER 145 Cb 0.58 0.72 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 1x3b n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42