#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 -3.04 -3.62 1.61 2.88 -1.26 -5.10 113.62 105.08 1x3b n SER 2 Ca 0.00 0.95 -0.04 0.00 -1.33 0.00 0.00 58.87 58.45 1x3b n SER 2 Cb 0.00 -3.63 -0.04 0.00 -0.75 0.00 0.00 64.21 59.79 1x3b n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x3b s SER 3 N -0.39 -0.11 0.00 -3.46 1.04 -1.26 -5.18 113.70 104.34 1x3b s SER 3 Ca -0.12 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1x3b s SER 3 Cb 0.01 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1x3b s SER 3 CO 0.31 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1x3b n GLY 4 N 0.48 4.74 3.36 7.32 0.00 -1.26 -5.05 105.19 114.77 1x3b n GLY 4 Ca -0.02 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 1x3b n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3b s SER 5 N 0.00 6.66 0.00 1.61 0.01 -1.26 -4.75 113.70 115.97 1x3b s SER 5 Ca 0.00 -2.41 0.00 0.00 1.31 0.00 0.00 55.95 54.85 1x3b s SER 5 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1x3b s SER 5 CO 0.00 -0.73 0.00 -0.24 0.41 0.00 0.00 173.24 172.68 1x3b n SER 6 N 4.75 0.00 0.00 2.44 2.88 -1.26 -4.80 113.62 117.63 1x3b n SER 6 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1x3b n SER 6 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1x3b n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 7 N 0.00 2.06 1.33 0.46 0.00 -1.26 -4.90 105.19 102.88 1x3b n GLY 7 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.58 -3.75 1.61 0.00 -1.26 -4.99 117.12 105.15 1x3b n MET 8 Ca 0.00 2.61 -0.30 0.00 0.00 0.00 0.00 57.70 60.01 1x3b n MET 8 Cb 0.00 -2.81 -0.14 0.00 0.00 0.00 0.00 33.22 30.27 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 -1.30 1.32 0.86 3.03 0.00 -1.26 -5.07 107.32 104.90 1x3b s GLY 9 Ca 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 44.72 42.59 1x3b s GLY 9 CO 0.00 1.53 1.17 -1.30 0.00 0.00 0.00 173.10 174.50 1x3b n THR 10 N 4.43 1.16 -0.36 0.90 -2.24 -1.26 -2.77 114.28 114.14 1x3b n THR 10 Ca 0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1x3b n THR 10 Cb 0.40 -1.11 0.05 0.00 -2.10 0.00 0.00 70.33 67.58 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 -3.70 -0.48 -0.16 2.28 3.14 -1.26 0.14 118.33 118.28 1x3b n VAL 11 Ca 0.13 2.20 -0.05 0.00 -2.96 0.00 0.00 64.34 63.66 1x3b n VAL 11 Cb 0.51 -2.93 0.04 0.00 -1.06 0.00 0.00 33.84 30.40 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 0.51 -0.87 1.45 2.86 -1.89 -1.61 114.93 115.37 1x3b h MET 12 Ca 0.35 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 1x3b h MET 12 Cb 0.58 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 1x3b h MET 12 CO -0.94 0.34 0.55 -0.44 1.06 0.00 0.00 176.91 177.48 1x3b h ASP 13 N 0.52 0.90 -0.31 1.22 3.32 0.87 0.20 116.42 123.14 1x3b h ASP 13 Ca 0.21 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.35 1x3b h ASP 13 Cb 0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1x3b h ASP 13 CO -0.13 0.60 0.24 0.58 -1.72 0.00 0.00 179.24 178.81 1x3b h VAL 14 N 1.04 0.75 0.13 -1.35 2.07 0.10 0.81 116.25 119.81 1x3b h VAL 14 Ca 0.36 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.59 1x3b h VAL 14 Cb 0.08 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1x3b h VAL 14 CO -0.14 0.00 -1.35 -0.07 0.02 0.00 0.00 177.57 176.03 1x3b h LEU 15 N 0.00 0.44 -0.16 2.57 3.38 -0.28 -3.00 115.31 118.26 1x3b h LEU 15 Ca 0.15 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1x3b h LEU 15 Cb 0.62 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1x3b h LEU 15 CO -0.00 1.41 -0.13 0.11 0.09 0.00 0.00 178.44 179.91 1x3b h LYS 16 N 0.08 0.37 -0.28 1.13 1.57 0.11 -3.20 116.57 116.35 1x3b h LYS 16 Ca -0.18 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1x3b h LYS 16 Cb 2.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.26 1x3b h LYS 16 CO 0.20 0.73 -0.06 0.78 -0.57 0.00 0.00 179.45 180.52 1x3b h GLY 17 N 0.02 0.21 -4.77 3.86 0.00 0.38 -3.40 103.07 99.37 1x3b h GLY 17 Ca 0.03 0.08 -0.55 0.00 0.00 0.00 0.00 47.33 46.90 1x3b h GLY 17 CO 0.03 -0.10 0.71 0.99 0.00 0.00 0.00 176.54 178.18 1x3b s ASP 18 N -5.21 7.01 0.19 0.19 1.01 -1.13 -4.90 116.67 113.82 1x3b s ASP 18 Ca -0.14 1.91 0.02 0.00 0.71 0.00 0.00 52.55 55.05 1x3b s ASP 18 Cb 0.12 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.58 1x3b s ASP 18 CO 0.69 -0.60 1.45 0.78 0.21 0.00 0.00 175.17 177.71 1x3b h ASN 19 N 7.46 0.35 -1.01 0.27 2.35 -1.81 -3.11 115.58 120.08 1x3b h ASN 19 Ca -0.36 -0.23 0.24 0.00 -0.55 0.00 0.00 56.30 55.40 1x3b h ASN 19 Cb 1.17 -0.10 -0.12 0.00 0.05 0.00 0.00 38.32 39.32 1x3b h ASN 19 CO 0.88 0.96 0.61 0.03 -1.65 0.00 0.00 177.43 178.26 1x3b h ARG 20 N 0.19 0.56 -2.03 0.81 3.08 -1.90 -0.53 114.38 114.57 1x3b h ARG 20 Ca -0.03 -0.03 -0.71 0.00 0.07 0.00 0.00 59.98 59.28 1x3b h ARG 20 Cb 1.31 -0.13 -0.33 0.00 0.08 0.00 0.00 29.97 30.90 1x3b h ARG 20 CO 0.12 0.37 0.37 1.19 -1.07 0.00 0.00 179.97 180.95 1x3b n PHE 21 N -4.85 3.22 -0.06 3.04 3.72 -1.17 -4.35 117.46 117.01 1x3b n PHE 21 Ca 0.26 -2.87 -0.03 0.00 -0.05 0.00 0.00 57.45 54.76 1x3b n PHE 21 Cb 0.74 -0.83 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 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 3.26 0.00 -1.13 4.37 4.64 -1.19 -3.30 113.55 120.20 1x3b h SER 22 Ca 0.42 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 62.07 1x3b h SER 22 Cb 0.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1x3b h SER 22 CO 1.13 0.60 0.97 0.24 -0.87 0.00 0.00 176.83 178.90 1x3b h MET 23 N -0.86 0.00 0.50 4.77 2.86 -1.84 0.26 114.93 120.62 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 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1x3b h MET 23 CO 0.00 0.00 -0.24 1.25 1.06 0.00 0.00 176.91 178.98 1x3b h LEU 24 N 0.00 -0.57 -0.82 1.22 5.85 -1.91 -3.08 115.31 115.99 1x3b h LEU 24 Ca 0.53 -0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.34 1x3b h LEU 24 Cb 2.47 0.15 -0.15 0.00 0.37 0.00 0.00 40.66 43.50 1x3b h LEU 24 CO -0.01 -0.18 -0.30 0.58 -0.34 0.00 0.00 178.44 178.20 1x3b h VAL 25 N -1.05 0.11 -0.88 1.05 2.07 -0.57 0.85 116.25 117.83 1x3b h VAL 25 Ca -0.07 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.66 1x3b h VAL 25 Cb 0.60 0.11 -0.16 0.00 -1.52 0.00 0.00 31.29 30.32 1x3b h VAL 25 CO 0.11 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.67 1x3b h ALA 26 N 1.49 0.89 -0.37 1.67 0.00 -1.46 1.76 119.26 123.24 1x3b h ALA 26 Ca 0.34 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.57 1x3b h ALA 26 Cb 0.60 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1x3b h ALA 26 CO -0.86 -0.47 0.22 0.00 0.00 0.00 0.00 179.25 178.15 1x3b h ALA 27 N 1.86 0.47 0.24 0.00 0.00 0.77 0.56 119.26 123.15 1x3b h ALA 27 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1x3b h ALA 27 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x3b h ALA 27 CO -0.82 -0.12 -0.11 0.82 0.00 0.00 0.00 179.25 179.02 1x3b h ILE 28 N 0.45 0.82 -0.77 0.00 2.04 0.19 1.19 117.51 121.43 1x3b h ILE 28 Ca 0.15 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.78 1x3b h ILE 28 Cb -0.00 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 1x3b h ILE 28 CO -0.06 0.08 0.39 -0.61 0.00 0.00 0.00 178.15 177.94 1x3b h GLN 29 N -0.49 0.61 -0.17 2.37 -0.00 0.24 0.98 115.11 118.65 1x3b h GLN 29 Ca -0.03 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.65 58.46 1x3b h GLN 29 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.71 1x3b h GLN 29 CO 0.05 0.40 -0.35 1.03 0.00 0.00 0.00 178.83 179.96 1x3b h SER 30 N 0.62 0.60 -0.12 -0.69 0.87 0.35 -2.99 113.55 112.20 1x3b h SER 30 Ca 0.39 -0.56 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 1x3b h SER 30 Cb 0.46 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1x3b h SER 30 CO -0.30 1.05 0.04 0.00 -0.53 0.00 0.00 176.83 177.08 1x3b h ALA 31 N 0.57 1.71 -0.74 6.23 0.00 0.25 -3.47 119.26 123.81 1x3b h ALA 31 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x3b h ALA 31 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x3b h ALA 31 CO 0.08 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1x3b n GLY 32 N -1.25 0.96 0.00 0.00 0.00 0.33 -4.83 105.19 100.40 1x3b n GLY 32 Ca -0.00 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.37 0.20 -0.34 0.99 4.77 -0.77 -4.46 117.00 117.02 1x3b n LEU 33 Ca 0.00 -0.15 0.23 0.00 -0.03 0.00 0.00 56.01 56.06 1x3b n LEU 33 Cb 0.36 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.96 1x3b n LEU 33 CO 0.00 0.05 1.21 0.74 -1.33 0.00 0.00 177.39 178.06 1x3b h THR 34 N 0.00 0.48 0.31 -5.08 2.02 -1.89 0.22 112.91 108.97 1x3b h THR 34 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1x3b h THR 34 Cb 0.55 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1x3b h THR 34 CO 0.00 0.07 -0.15 -0.33 0.37 0.00 0.00 175.52 175.48 1x3b h GLU 35 N 0.38 -0.41 -0.08 6.66 5.08 -1.93 -0.66 114.58 123.63 1x3b h GLU 35 Ca 0.62 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 59.03 1x3b h GLU 35 Cb 1.57 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1x3b h GLU 35 CO -0.33 -0.08 0.26 1.15 -1.00 0.00 0.00 179.01 179.01 1x3b h THR 36 N -0.90 0.12 -0.50 1.13 2.02 -1.35 1.53 112.91 114.96 1x3b h THR 36 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1x3b h THR 36 Cb 0.52 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1x3b h THR 36 CO 0.07 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.14 1x3b n LEU 37 N -3.16 3.45 -0.43 2.58 4.77 0.60 -4.09 117.00 120.71 1x3b n LEU 37 Ca -0.01 -1.81 0.08 0.00 -0.03 0.00 0.00 56.01 54.25 1x3b n LEU 37 Cb 0.34 -0.33 0.18 0.00 -2.33 0.00 0.00 43.42 41.28 1x3b n LEU 37 CO 0.18 0.82 0.62 0.59 -1.33 0.00 0.00 177.39 178.28 1x3b n ASN 38 N 1.26 2.98 -4.50 -1.43 3.02 0.52 -4.34 115.26 112.77 1x3b n ASN 38 Ca 0.19 -2.91 -0.30 0.00 -0.03 0.00 0.00 54.58 51.53 1x3b n ASN 38 Cb 0.55 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 1x3b n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x3b s ARG 39 N -2.60 1.93 -0.11 3.52 1.70 -1.08 -5.00 118.95 117.31 1x3b s ARG 39 Ca 0.33 -1.09 -0.29 0.00 -0.47 0.00 0.00 55.73 54.21 1x3b s ARG 39 Cb 0.27 -2.18 -0.06 0.00 -0.57 0.00 0.00 34.95 32.41 1x3b s ARG 39 CO 0.06 0.50 2.03 -1.21 -1.08 0.00 0.00 175.30 175.60 1x3b s GLU 40 N -1.98 3.65 0.00 3.89 2.02 -1.26 -4.70 118.70 120.31 1x3b s GLU 40 Ca 0.18 2.23 0.00 0.00 0.02 0.00 0.00 54.97 57.40 1x3b s GLU 40 Cb -0.11 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.88 1x3b s GLU 40 CO 0.10 -1.51 0.00 0.41 0.02 0.00 0.00 175.26 174.28 1x3b n GLY 41 N 5.09 -0.86 3.16 -1.39 0.00 -1.26 -5.15 105.19 104.78 1x3b n GLY 41 Ca 0.24 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.11 -0.01 -0.26 1.61 -7.23 -1.25 -4.09 120.40 106.05 1x3b s VAL 42 Ca 0.00 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 1x3b s VAL 42 Cb 0.00 -0.43 0.13 0.00 0.56 0.00 0.00 36.38 36.63 1x3b s VAL 42 CO 0.00 0.02 0.53 -0.31 -0.31 0.00 0.00 175.10 175.03 1x3b s TYR 43 N 0.64 -1.13 -0.53 2.82 2.02 -1.26 -4.10 117.35 115.82 1x3b s TYR 43 Ca -0.04 1.76 -0.20 0.00 -0.37 0.00 0.00 57.07 58.22 1x3b s TYR 43 Cb -0.05 0.49 0.06 0.00 -0.40 0.00 0.00 41.96 42.06 1x3b s TYR 43 CO -0.04 -0.64 0.72 0.99 -1.57 0.00 0.00 175.55 175.00 1x3b s THR 44 N 2.75 4.73 0.21 -0.71 2.01 -0.99 -3.42 115.64 120.22 1x3b s THR 44 Ca 0.02 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1x3b s THR 44 Cb -0.13 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1x3b s THR 44 CO -0.17 -0.92 0.08 -0.69 -0.69 0.00 0.00 174.62 172.23 1x3b s VAL 45 N 3.00 4.02 -0.20 3.82 1.01 -1.21 0.95 120.40 131.79 1x3b s VAL 45 Ca 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1x3b s VAL 45 Cb -0.18 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.15 1x3b s VAL 45 CO 0.13 -0.24 -0.06 -0.36 0.00 0.00 0.00 175.10 174.57 1x3b s PHE 46 N -1.98 2.12 -0.29 5.22 0.40 -1.07 -2.21 117.98 120.16 1x3b s PHE 46 Ca 0.31 -1.46 -0.08 0.00 -0.60 0.00 0.00 56.93 55.09 1x3b s PHE 46 Cb -0.08 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 1x3b s PHE 46 CO 0.22 -0.71 0.11 0.00 0.70 0.00 0.00 175.22 175.54 1x3b s ALA 47 N 1.49 3.19 1.01 5.36 0.00 -1.25 -4.83 121.76 126.73 1x3b s ALA 47 Ca -0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 1x3b s ALA 47 Cb -0.17 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1x3b s ALA 47 CO -0.07 -0.81 0.10 -0.35 0.00 0.00 0.00 175.76 174.62 1x3b n PRO 48 N 4.94 -0.64 -2.31 0.00 -0.04 -1.26 -1.32 135.00 134.36 1x3b n PRO 48 Ca -0.15 -0.15 -0.18 0.00 -0.04 0.00 0.00 63.50 62.98 1x3b n PRO 48 Cb 0.49 -0.12 0.09 0.00 -0.04 0.00 0.00 33.50 33.92 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 -2.42 0.00 -0.03 0.52 -2.24 -1.08 -4.72 114.28 104.32 1x3b n THR 49 Ca 0.01 -1.36 -0.13 0.00 -2.27 0.00 0.00 64.05 60.30 1x3b n THR 49 Cb 0.05 -0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 1x3b n THR 49 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x3b h ASN 50 N -0.35 0.15 -0.07 3.42 7.08 -1.95 -2.87 115.58 120.99 1x3b h ASN 50 Ca -0.26 -0.49 0.02 0.00 -3.08 0.00 0.00 56.30 52.49 1x3b h ASN 50 Cb 1.01 -0.04 -0.00 0.00 -2.08 0.00 0.00 38.32 37.20 1x3b h ASN 50 CO 0.30 0.61 0.07 -0.33 -2.08 0.00 0.00 177.43 175.99 1x3b h GLU 51 N -0.31 0.00 0.80 4.14 5.08 -1.96 -1.74 114.58 120.60 1x3b h GLU 51 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1x3b h GLU 51 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1x3b h GLU 51 CO 0.01 0.00 -0.50 0.00 -1.00 0.00 0.00 179.01 177.53 1x3b h ALA 52 N 1.93 -1.27 -0.88 3.43 0.00 -1.80 -0.06 119.26 120.60 1x3b h ALA 52 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x3b h ALA 52 Cb 0.18 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1x3b h ALA 52 CO -0.00 -1.23 0.54 0.74 0.00 0.00 0.00 179.25 179.30 1x3b h PHE 53 N -1.22 1.14 0.00 0.00 -1.00 -1.42 -0.40 116.94 114.04 1x3b h PHE 53 Ca -0.11 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 1x3b h PHE 53 Cb 0.98 -0.38 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 1x3b h PHE 53 CO -0.11 0.75 -0.01 0.00 -1.61 0.00 0.00 178.31 177.33 1x3b h ARG 54 N 1.20 0.00 -0.15 1.51 3.08 -1.04 -0.70 114.38 118.29 1x3b h ARG 54 Ca 0.32 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.15 1x3b h ARG 54 Cb -0.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.98 1x3b h ARG 54 CO -0.06 0.01 -0.77 0.00 -1.07 0.00 0.00 179.97 178.09 1x3b h ALA 55 N 1.99 0.34 -2.04 0.04 0.00 0.76 -3.45 119.26 116.90 1x3b h ALA 55 Ca -0.00 -0.60 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 1x3b h ALA 55 Cb 0.07 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 17.99 1x3b h ALA 55 CO 0.00 0.69 -0.46 1.28 0.00 0.00 0.00 179.25 180.76 1x3b n LEU 56 N -3.93 -0.27 -4.78 0.00 4.77 -0.27 -4.95 117.00 107.58 1x3b n LEU 56 Ca -0.07 0.88 -0.29 0.00 -0.03 0.00 0.00 56.01 56.50 1x3b n LEU 56 Cb 0.74 -1.09 0.17 0.00 -2.33 0.00 0.00 43.42 40.91 1x3b n LEU 56 CO 0.52 -3.04 0.73 -2.16 -1.33 0.00 0.00 177.39 172.12 1x3b s PRO 57 N -1.56 0.46 0.00 3.23 0.04 -1.26 -4.87 135.00 131.04 1x3b s PRO 57 Ca 0.63 0.03 0.24 0.00 0.04 0.00 0.00 61.00 61.94 1x3b s PRO 57 Cb -0.59 -1.78 1.32 0.00 0.04 0.00 0.00 34.50 33.48 1x3b s PRO 57 CO 0.58 -2.61 1.78 -0.35 0.04 0.00 0.00 177.00 176.44 1x3b n PRO 58 N -4.00 0.57 -0.08 0.56 -0.04 -1.26 -2.41 135.00 128.34 1x3b n PRO 58 Ca 0.10 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 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 -1.12 0.45 -0.30 0.54 0.63 -1.26 -3.97 116.66 111.62 1x3b n ARG 59 Ca 0.15 0.23 0.08 0.00 -0.92 0.00 0.00 57.85 57.39 1x3b n ARG 59 Cb 0.13 -1.34 0.24 0.00 0.45 0.00 0.00 32.46 31.93 1x3b n ARG 59 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1x3b h GLU 60 N -0.86 0.63 0.00 -0.14 4.81 -1.95 0.11 114.58 117.18 1x3b h GLU 60 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1x3b h GLU 60 Cb 0.80 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1x3b h GLU 60 CO 0.00 0.41 0.00 0.54 -0.73 0.00 0.00 179.01 179.23 1x3b n ARG 61 N -4.86 0.00 0.16 1.92 1.74 -1.01 0.33 116.66 114.95 1x3b n ARG 61 Ca 0.18 0.49 0.17 0.00 -0.77 0.00 0.00 57.85 57.92 1x3b n ARG 61 Cb 0.45 -1.39 0.62 0.00 -1.02 0.00 0.00 32.46 31.12 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 0.00 0.02 0.55 0.87 -1.64 0.46 113.55 113.82 1x3b h SER 62 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x3b h SER 62 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1x3b h SER 62 CO 0.00 0.00 -0.01 0.03 -0.53 0.00 0.00 176.83 176.32 1x3b h ARG 63 N 0.00 -0.03 0.18 2.24 2.47 0.15 0.22 114.38 119.61 1x3b h ARG 63 Ca 0.15 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.88 1x3b h ARG 63 Cb 1.36 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.66 1x3b h ARG 63 CO -0.00 -0.02 -0.26 -0.07 0.56 0.00 0.00 179.97 180.18 1x3b h LEU 64 N -0.08 -0.71 -2.80 3.04 3.38 0.77 0.51 115.31 119.42 1x3b h LEU 64 Ca -0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1x3b h LEU 64 Cb 0.02 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1x3b h LEU 64 CO 0.01 -0.36 -0.00 -0.07 0.09 0.00 0.00 178.44 178.10 1x3b h LEU 65 N -0.50 0.00 0.00 1.67 3.38 -0.29 -3.33 115.31 116.24 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 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x3b h LEU 65 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1x3b n GLY 66 N -1.04 1.32 3.77 0.83 0.00 0.43 -4.91 105.19 105.58 1x3b n GLY 66 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 6.56 -0.06 1.61 1.11 0.15 -4.93 116.67 120.12 1x3b s ASP 67 Ca 0.00 2.84 -0.21 0.00 0.18 0.00 0.00 52.55 55.36 1x3b s ASP 67 Cb 0.00 -2.65 -0.31 0.00 1.07 0.00 0.00 42.92 41.03 1x3b s ASP 67 CO 0.00 -0.72 0.84 0.00 1.18 0.00 0.00 175.17 176.47 1x3b h ALA 68 N 3.69 -0.05 -0.39 5.23 0.00 -1.85 -2.98 119.26 122.90 1x3b h ALA 68 Ca -0.49 -0.76 0.04 0.00 0.00 0.00 0.00 54.91 53.70 1x3b h ALA 68 Cb 1.23 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1x3b h ALA 68 CO 0.69 0.46 -0.43 0.87 0.00 0.00 0.00 179.25 180.83 1x3b h LYS 69 N -0.35 -0.24 -0.50 0.00 1.79 -1.93 0.67 116.57 116.00 1x3b h LYS 69 Ca -0.17 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1x3b h LYS 69 Cb 1.67 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 32.35 1x3b h LYS 69 CO 0.14 -0.16 0.34 0.93 -1.08 0.00 0.00 179.45 179.62 1x3b h GLU 70 N -0.25 0.35 0.00 3.15 4.39 -1.92 0.12 114.58 120.43 1x3b h GLU 70 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1x3b h GLU 70 Cb 0.42 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1x3b h GLU 70 CO -0.50 0.23 0.00 -0.11 -1.16 0.00 0.00 179.01 177.47 1x3b n LEU 71 N -4.47 0.01 -0.32 1.33 0.00 0.18 -1.80 117.00 111.93 1x3b n LEU 71 Ca 0.07 0.95 0.22 0.00 0.00 0.00 0.00 56.01 57.25 1x3b n LEU 71 Cb 0.31 -0.48 0.50 0.00 0.00 0.00 0.00 43.42 43.74 1x3b n LEU 71 CO 0.34 -0.48 1.22 0.00 0.00 0.00 0.00 177.39 178.47 1x3b h ALA 72 N -2.00 2.21 -0.22 1.96 0.00 0.18 0.17 119.26 121.55 1x3b h ALA 72 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1x3b h ALA 72 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1x3b h ALA 72 CO 0.00 -0.61 -0.30 -0.97 0.00 0.00 0.00 179.25 177.37 1x3b h ASN 73 N 0.41 -0.96 0.25 0.00 -0.73 -0.57 1.45 115.58 115.43 1x3b h ASN 73 Ca 0.59 0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.90 1x3b h ASN 73 Cb 1.47 0.43 0.00 0.00 0.27 0.00 0.00 38.32 40.49 1x3b h ASN 73 CO -0.30 -0.33 -0.12 0.40 -0.37 0.00 0.00 177.43 176.71 1x3b h ILE 74 N -0.33 0.77 -0.69 2.57 1.08 0.09 -1.48 117.51 119.53 1x3b h ILE 74 Ca 0.12 -0.12 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 1x3b h ILE 74 Cb 0.52 0.85 -0.10 0.00 -3.07 0.00 0.00 36.82 35.02 1x3b h ILE 74 CO -0.41 0.03 0.19 -0.07 -0.69 0.00 0.00 178.15 177.20 1x3b h LEU 75 N -0.40 0.06 -0.22 1.44 3.38 -0.49 0.22 115.31 119.30 1x3b h LEU 75 Ca -0.03 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1x3b h LEU 75 Cb 0.30 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1x3b h LEU 75 CO 0.06 0.01 -0.10 0.11 0.09 0.00 0.00 178.44 178.60 1x3b h LYS 76 N 0.30 -0.07 0.00 1.13 1.57 0.24 0.51 116.57 120.25 1x3b h LYS 76 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1x3b h LYS 76 Cb 0.61 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1x3b h LYS 76 CO -0.45 -0.05 0.00 0.98 -0.57 0.00 0.00 179.45 179.36 1x3b n TYR 77 N -5.26 0.00 0.01 -1.35 9.36 0.12 -1.57 117.16 118.46 1x3b n TYR 77 Ca -0.02 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.31 1x3b n TYR 77 Cb 0.18 -0.22 -0.16 0.00 -0.63 0.00 0.00 39.34 38.51 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 -1.22 0.00 -3.98 2.98 8.25 0.14 -4.94 115.22 116.45 1x3b n HIS 78 Ca 0.09 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 1x3b n HIS 78 Cb 0.11 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 30.71 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 -3.42 5.14 0.18 1.59 1.01 0.10 -2.61 121.20 123.18 1x3b s ILE 79 Ca -0.07 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.36 1x3b s ILE 79 Cb 0.13 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1x3b s ILE 79 CO 0.86 0.30 -0.11 -0.83 0.00 0.00 0.00 174.94 175.16 1x3b s GLY 80 N -1.95 1.73 -0.49 6.18 0.00 0.27 -3.39 107.32 109.66 1x3b s GLY 80 Ca 0.27 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.50 1x3b s GLY 80 CO 0.18 -1.49 2.08 1.22 0.00 0.00 0.00 173.10 175.10 1x3b n ASP 81 N 0.12 7.01 0.00 1.64 8.00 -0.66 -2.35 116.55 130.32 1x3b n ASP 81 Ca -0.11 -3.40 0.00 0.00 0.71 0.00 0.00 54.79 51.99 1x3b n ASP 81 Cb 0.55 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1x3b n GLU 82 N -0.15 0.00 -3.25 -1.24 0.28 -1.26 -4.96 120.64 110.06 1x3b n GLU 82 Ca 0.45 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 57.07 1x3b n GLU 82 Cb 0.59 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.40 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 4.88 -0.05 3.84 -1.09 -1.26 -3.42 121.20 122.10 1x3b s ILE 83 Ca 0.00 1.20 -0.02 0.00 -2.23 0.00 0.00 60.65 59.60 1x3b s ILE 83 Cb 0.00 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1x3b s ILE 83 CO 0.00 0.46 0.05 -0.22 -1.23 0.00 0.00 174.94 174.01 1x3b s LEU 84 N -0.48 0.21 0.06 2.97 0.20 -1.26 -5.07 118.68 115.31 1x3b s LEU 84 Ca 0.30 0.04 0.01 0.00 0.69 0.00 0.00 54.13 55.16 1x3b s LEU 84 Cb -0.18 -0.19 -0.04 0.00 -0.43 0.00 0.00 46.19 45.36 1x3b s LEU 84 CO 0.17 -0.24 -0.05 0.68 -0.29 0.00 0.00 176.35 176.62 1x3b s VAL 85 N 2.14 0.44 -0.89 1.68 -7.23 -1.26 -4.90 120.40 110.38 1x3b s VAL 85 Ca 0.05 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1x3b s VAL 85 Cb -0.12 -1.26 -0.11 0.00 0.56 0.00 0.00 36.38 35.45 1x3b s VAL 85 CO -0.03 -0.78 2.60 -1.54 -0.31 0.00 0.00 175.10 175.03 1x3b n SER 86 N 0.47 5.91 -3.07 4.85 3.41 -1.26 -4.56 113.62 119.37 1x3b n SER 86 Ca -0.16 -2.38 -0.36 0.00 -0.26 0.00 0.00 58.87 55.71 1x3b n SER 86 Cb 0.59 -1.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.31 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 3.38 5.82 0.17 5.00 0.00 -1.26 -4.73 105.19 113.57 1x3b n GLY 87 Ca 0.52 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.33 0.84 0.00 -0.02 0.00 -1.26 -5.12 105.19 99.30 1x3b n GLY 88 Ca 0.45 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.15 0.00 0.00 -0.61 2.08 -1.26 -5.05 119.36 114.36 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 0.06 -0.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 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 2.76 -0.00 1.80 7.39 0.00 -1.26 -5.01 105.19 110.87 1x3b n GLY 90 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.21 4.61 0.00 -1.26 -5.00 120.51 115.65 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 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -6.04 0.95 -0.08 0.00 1.98 -1.26 -3.81 118.68 110.40 1x3b s LEU 92 Ca 0.00 0.20 -0.01 0.00 -2.89 0.00 0.00 54.13 51.43 1x3b s LEU 92 Cb 0.00 1.12 0.03 0.00 0.66 0.00 0.00 46.19 47.99 1x3b s LEU 92 CO 0.00 -0.34 -0.03 -0.69 -1.89 0.00 0.00 176.35 173.41 1x3b s VAL 93 N -0.89 0.60 -0.30 1.68 1.01 0.50 -4.96 120.40 118.04 1x3b s VAL 93 Ca -0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 1x3b s VAL 93 Cb -0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1x3b s VAL 93 CO 0.03 0.30 0.51 -0.13 0.00 0.00 0.00 175.10 175.81 1x3b s ARG 94 N 1.84 3.87 -0.30 2.72 0.52 -1.26 -1.08 118.95 125.27 1x3b s ARG 94 Ca 0.04 0.11 -0.10 0.00 -0.52 0.00 0.00 55.73 55.26 1x3b s ARG 94 Cb -0.12 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.61 1x3b s ARG 94 CO -0.06 -0.48 0.15 -1.17 0.02 0.00 0.00 175.30 173.76 1x3b s LEU 95 N 2.35 4.00 -0.37 2.53 0.20 0.70 -4.91 118.68 123.17 1x3b s LEU 95 Ca 0.20 -0.39 -0.29 0.00 0.69 0.00 0.00 54.13 54.34 1x3b s LEU 95 Cb -0.15 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 1x3b s LEU 95 CO 0.11 -0.15 1.51 -0.75 -0.29 0.00 0.00 176.35 176.78 1x3b s LYS 96 N 1.64 3.55 0.40 1.98 2.20 -1.26 0.90 119.74 129.15 1x3b s LYS 96 Ca 0.05 1.12 -0.11 0.00 -0.36 0.00 0.00 55.97 56.67 1x3b s LYS 96 Cb -0.17 -4.06 -0.07 0.00 -1.51 0.00 0.00 37.83 32.03 1x3b s LYS 96 CO 0.07 -1.59 0.77 0.45 -0.36 0.00 0.00 175.35 174.69 1x3b s SER 97 N 4.38 6.56 0.41 1.43 0.15 -1.23 -1.65 113.70 123.75 1x3b s SER 97 Ca 0.66 1.17 0.10 0.00 0.70 0.00 0.00 55.95 58.58 1x3b s SER 97 Cb -0.17 -2.34 0.86 0.00 -1.71 0.00 0.00 66.02 62.67 1x3b s SER 97 CO 0.32 -0.38 1.97 -0.07 1.20 0.00 0.00 173.24 176.28 1x3b h LEU 98 N 1.38 0.22 -1.65 3.45 4.07 -1.68 -1.50 115.31 119.61 1x3b h LEU 98 Ca -0.47 -0.03 0.10 0.00 0.08 0.00 0.00 57.88 57.55 1x3b h LEU 98 Cb 1.19 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.83 1x3b h LEU 98 CO 0.64 0.32 0.40 -0.61 -1.08 0.00 0.00 178.44 178.12 1x3b h GLN 99 N 0.23 0.39 0.00 1.13 -0.00 -1.82 -3.46 115.11 111.58 1x3b h GLN 99 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1x3b h GLN 99 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1x3b h GLN 99 CO 0.01 0.26 0.00 0.41 0.00 0.00 0.00 178.83 179.51 1x3b n GLY 100 N -1.52 3.62 3.70 2.39 0.00 -0.56 -4.97 105.19 107.85 1x3b n GLY 100 Ca 0.10 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 6.92 0.17 1.61 1.01 -1.26 -4.63 116.67 120.49 1x3b s ASP 101 Ca 0.00 2.13 -0.30 0.00 0.71 0.00 0.00 52.55 55.09 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 -0.62 1.21 -0.54 0.21 0.00 0.00 175.17 175.43 1x3b s LYS 102 N 1.62 4.48 0.03 8.23 3.01 -1.26 -3.54 119.74 132.31 1x3b s LYS 102 Ca 0.62 1.87 -0.21 0.00 -1.01 0.00 0.00 55.97 57.24 1x3b s LYS 102 Cb -0.32 -3.26 -0.06 0.00 -1.01 0.00 0.00 37.83 33.19 1x3b s LYS 102 CO 0.28 -0.12 0.61 -0.51 0.51 0.00 0.00 175.35 176.12 1x3b s LEU 103 N -0.01 4.46 -0.14 3.17 1.43 0.26 -4.86 118.68 123.00 1x3b s LEU 103 Ca 0.54 1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 54.72 1x3b s LEU 103 Cb -0.32 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 1x3b s LEU 103 CO 0.35 0.15 0.41 -1.61 0.23 0.00 0.00 176.35 175.88 1x3b s GLU 104 N -0.51 4.31 -0.09 1.70 2.02 -1.26 -0.22 118.70 124.65 1x3b s GLU 104 Ca 0.31 0.31 -0.04 0.00 0.02 0.00 0.00 54.97 55.58 1x3b s GLU 104 Cb -0.19 -3.43 0.05 0.00 0.10 0.00 0.00 34.13 30.65 1x3b s GLU 104 CO 0.19 0.19 0.19 0.08 0.02 0.00 0.00 175.26 175.92 1x3b s VAL 105 N 0.57 -0.20 0.31 2.63 1.01 -0.24 -1.74 120.40 122.74 1x3b s VAL 105 Ca 0.22 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1x3b s VAL 105 Cb -0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1x3b s VAL 105 CO 0.08 0.11 0.14 -0.94 0.00 0.00 0.00 175.10 174.49 1x3b s SER 106 N 1.88 1.73 -0.20 3.32 1.04 -1.23 0.19 113.70 120.42 1x3b s SER 106 Ca -0.02 -1.54 -0.00 0.00 0.48 0.00 0.00 55.95 54.86 1x3b s SER 106 Cb -0.12 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.40 1x3b s SER 106 CO -0.07 -0.86 -0.04 -0.22 0.98 0.00 0.00 173.24 173.03 1x3b s LEU 107 N -3.41 2.01 -0.00 2.42 2.96 -1.25 -3.43 118.68 117.98 1x3b s LEU 107 Ca 0.34 -0.93 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1x3b s LEU 107 Cb 0.05 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 1x3b s LEU 107 CO 0.17 -0.22 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.20 1x3b s LYS 108 N 1.55 0.23 -1.52 1.98 2.20 -0.63 -4.75 119.74 118.80 1x3b s LYS 108 Ca -0.03 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1x3b s LYS 108 Cb -0.17 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.92 1x3b s LYS 108 CO -0.07 0.06 0.00 -1.71 -0.36 0.00 0.00 175.35 173.27 1x3b n ASN 109 N 3.04 -5.09 -0.31 1.43 5.15 -1.26 0.10 115.26 118.33 1x3b n ASN 109 Ca -0.13 0.36 -0.04 0.00 -0.60 0.00 0.00 54.58 54.17 1x3b n ASN 109 Cb 0.59 -4.15 -0.02 0.00 -0.53 0.00 0.00 39.78 35.67 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1x3b n ASN 110 N -1.02 -3.52 -4.53 1.20 2.85 -1.26 -5.02 115.26 103.95 1x3b n ASN 110 Ca -0.14 0.10 -0.30 0.00 -0.11 0.00 0.00 54.58 54.12 1x3b n ASN 110 Cb 0.58 -1.37 -0.11 0.00 1.24 0.00 0.00 39.78 40.12 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 -2.13 3.16 -0.07 3.44 1.01 0.29 -5.13 120.40 120.97 1x3b s VAL 111 Ca 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 1x3b s VAL 111 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1x3b s VAL 111 CO 0.00 0.18 -0.02 -0.69 0.00 0.00 0.00 175.10 174.56 1x3b s VAL 112 N -1.12 4.07 0.06 2.92 1.01 -1.26 -1.60 120.40 124.47 1x3b s VAL 112 Ca 0.19 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1x3b s VAL 112 Cb -0.11 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1x3b s VAL 112 CO 0.11 0.57 -0.07 -0.44 0.00 0.00 0.00 175.10 175.27 1x3b s SER 113 N -0.95 0.93 -0.11 3.32 0.01 -1.22 -2.61 113.70 113.07 1x3b s SER 113 Ca 0.14 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 1x3b s SER 113 Cb -0.11 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.22 1x3b s SER 113 CO 0.03 -0.30 0.02 0.54 0.41 0.00 0.00 173.24 173.94 1x3b s VAL 114 N -2.17 0.37 -1.54 3.43 0.11 0.07 -3.56 120.40 117.11 1x3b s VAL 114 Ca -0.03 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1x3b s VAL 114 Cb -0.05 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1x3b s VAL 114 CO -0.02 0.08 0.00 0.59 -3.33 0.00 0.00 175.10 172.42 1x3b n ASN 115 N 5.13 -4.95 -0.63 3.54 3.02 -0.71 -1.48 115.26 119.17 1x3b n ASN 115 Ca -0.07 0.12 -0.03 0.00 -0.03 0.00 0.00 54.58 54.57 1x3b n ASN 115 Cb 0.49 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 -2.57 -0.67 -4.68 3.52 5.02 -1.26 -5.04 118.16 112.47 1x3b n LYS 116 Ca -0.19 0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 55.98 1x3b n LYS 116 Cb 0.62 -3.35 -0.15 0.00 -0.02 0.00 0.00 35.03 32.13 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 -4.69 1.32 0.19 1.97 2.02 -0.55 -5.12 118.70 113.84 1x3b s GLU 117 Ca 0.04 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 1x3b s GLU 117 Cb -0.02 -1.34 -0.08 0.00 0.10 0.00 0.00 34.13 32.80 1x3b s GLU 117 CO 0.05 0.35 1.11 -1.25 0.02 0.00 0.00 175.26 175.55 1x3b s PRO 118 N -0.81 4.58 0.12 0.39 0.04 -1.26 -0.75 135.00 137.31 1x3b s PRO 118 Ca 0.06 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.76 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 0.07 0.42 0.08 0.04 0.00 0.00 177.00 177.61 1x3b s VAL 119 N -0.30 5.07 -0.04 -0.36 1.01 -1.07 -2.38 120.40 122.33 1x3b s VAL 119 Ca 0.49 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1x3b s VAL 119 Cb -0.30 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1x3b s VAL 119 CO 0.36 0.18 0.10 0.00 0.00 0.00 0.00 175.10 175.74 1x3b h ALA 120 N 3.35 -0.09 -2.03 5.51 0.00 0.25 -3.45 119.26 122.81 1x3b h ALA 120 Ca -0.48 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.01 1x3b h ALA 120 Cb 1.18 0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.67 1x3b h ALA 120 CO 0.68 -0.09 -0.72 -1.21 0.00 0.00 0.00 179.25 177.91 1x3b s GLU 121 N -1.49 0.66 0.84 0.00 2.02 -0.86 -4.99 118.70 114.88 1x3b s GLU 121 Ca -0.01 -1.02 -0.14 0.00 0.02 0.00 0.00 54.97 53.82 1x3b s GLU 121 Cb 0.00 -0.82 0.20 0.00 0.10 0.00 0.00 34.13 33.61 1x3b s GLU 121 CO 0.02 -1.22 0.93 -0.35 0.02 0.00 0.00 175.26 174.66 1x3b n PRO 122 N 4.07 -1.81 -2.82 0.39 -0.04 -1.26 -2.91 135.00 130.62 1x3b n PRO 122 Ca 0.13 -1.46 -0.05 0.00 -0.04 0.00 0.00 63.50 62.08 1x3b n PRO 122 Cb 0.44 -1.15 0.02 0.00 -0.04 0.00 0.00 33.50 32.78 1x3b n PRO 122 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x3b n ASP 123 N -4.04 -6.30 -4.03 3.54 8.00 -1.23 -4.90 116.55 107.59 1x3b n ASP 123 Ca 0.12 -0.26 -0.33 0.00 0.71 0.00 0.00 54.79 55.03 1x3b n ASP 123 Cb 0.45 -4.40 -0.12 0.00 -0.02 0.00 0.00 41.12 37.02 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 -3.13 2.98 0.05 0.53 1.01 -0.23 -4.98 121.20 117.43 1x3b s ILE 124 Ca 0.15 -2.88 -0.31 0.00 0.00 0.00 0.00 60.65 57.61 1x3b s ILE 124 Cb -0.02 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.34 1x3b s ILE 124 CO 0.60 -0.78 1.57 -0.04 0.00 0.00 0.00 174.94 176.30 1x3b s MET 125 N 0.16 4.22 0.03 2.79 -1.94 -1.26 -0.76 119.30 122.54 1x3b s MET 125 Ca 0.15 2.22 0.00 0.00 -1.71 0.00 0.00 55.69 56.35 1x3b s MET 125 Cb -0.23 -3.58 0.00 0.00 2.01 0.00 0.00 34.83 33.04 1x3b s MET 125 CO -0.03 -0.68 0.03 0.00 -0.01 0.00 0.00 175.02 174.32 1x3b n ALA 126 N 5.50 0.05 0.20 3.03 0.00 -0.51 -4.96 120.51 123.82 1x3b n ALA 126 Ca 0.15 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1x3b n ALA 126 Cb 0.41 0.04 0.25 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.77 0.82 0.00 0.00 5.66 -1.12 -4.39 114.28 114.48 1x3b n THR 127 Ca 0.00 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1x3b n THR 127 Cb 0.03 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 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 1.07 0.00 0.00 1.09 6.94 -1.26 -4.84 115.26 118.26 1x3b n ASN 128 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1x3b n ASN 128 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.00 0.23 3.27 4.83 0.00 -1.26 -3.97 105.19 108.30 1x3b n GLY 129 Ca 0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.28 0.00 -0.00 1.61 0.11 -1.22 -1.43 120.40 116.19 1x3b s VAL 130 Ca 0.00 -1.89 -0.13 0.00 -2.93 0.00 0.00 61.98 57.03 1x3b s VAL 130 Cb 0.00 -2.45 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 1x3b s VAL 130 CO 0.00 0.00 0.28 -0.69 -3.33 0.00 0.00 175.10 171.36 1x3b s VAL 131 N -4.12 0.07 -0.31 2.04 1.01 0.06 -3.31 120.40 115.83 1x3b s VAL 131 Ca 0.36 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1x3b s VAL 131 Cb 0.06 -0.64 0.11 0.00 0.00 0.00 0.00 36.38 35.91 1x3b s VAL 131 CO 0.12 -0.30 0.15 -1.00 0.00 0.00 0.00 175.10 174.07 1x3b s HIS 132 N -1.53 0.58 0.13 5.22 3.76 -0.94 -1.07 115.29 121.44 1x3b s HIS 132 Ca -0.12 -1.20 -0.33 0.00 -0.15 0.00 0.00 55.06 53.26 1x3b s HIS 132 Cb -0.05 -0.99 -0.13 0.00 1.11 0.00 0.00 32.58 32.53 1x3b s HIS 132 CO 0.03 -0.83 1.70 0.28 -0.85 0.00 0.00 174.74 175.06 1x3b n VAL 133 N 4.83 0.15 -3.48 -0.90 0.31 -1.15 -3.77 118.33 114.33 1x3b n VAL 133 Ca -0.00 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.10 1x3b n VAL 133 Cb 0.40 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 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 1.74 2.65 -0.20 2.52 -4.36 -0.44 0.22 121.20 123.34 1x3b s ILE 134 Ca 0.81 -1.29 0.15 0.00 -0.26 0.00 0.00 60.65 60.05 1x3b s ILE 134 Cb -0.61 -2.94 0.44 0.00 1.25 0.00 0.00 42.46 40.60 1x3b s ILE 134 CO 0.39 0.00 1.33 0.35 0.24 0.00 0.00 174.94 177.25 1x3b n THR 135 N -1.62 2.24 -3.65 8.37 -2.24 -1.00 -2.62 114.28 113.76 1x3b n THR 135 Ca 0.04 -2.40 -0.03 0.00 -2.27 0.00 0.00 64.05 59.39 1x3b n THR 135 Cb 0.61 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1x3b n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x3b s ASN 136 N -2.53 -0.07 0.02 3.42 2.20 -1.26 -4.76 114.94 111.96 1x3b s ASN 136 Ca 0.39 0.12 -0.30 0.00 -0.94 0.00 0.00 52.86 52.13 1x3b s ASN 136 Cb 0.35 0.11 -0.06 0.00 -2.00 0.00 0.00 41.25 39.65 1x3b s ASN 136 CO 0.03 -0.03 1.49 -0.69 -2.94 0.00 0.00 177.10 174.96 1x3b s VAL 137 N -0.26 3.48 0.77 3.54 1.01 -1.26 -4.79 120.40 122.89 1x3b s VAL 137 Ca 0.07 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 1x3b s VAL 137 Cb -0.04 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1x3b s VAL 137 CO -0.13 -0.00 1.08 -0.76 0.00 0.00 0.00 175.10 175.29 1x3b s LEU 138 N 2.53 2.80 0.03 3.92 1.43 -1.26 -5.08 118.68 123.05 1x3b s LEU 138 Ca 0.67 1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 55.26 1x3b s LEU 138 Cb -0.34 -4.20 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 1x3b s LEU 138 CO 0.28 -1.88 0.01 -1.10 0.23 0.00 0.00 176.35 173.90 1x3b s GLN 139 N -5.05 0.47 1.01 1.70 -0.21 -1.26 -5.07 119.66 111.24 1x3b s GLN 139 Ca 0.60 -0.80 -0.17 0.00 0.02 0.00 0.00 55.36 55.01 1x3b s GLN 139 Cb -0.15 0.17 0.24 0.00 1.00 0.00 0.00 33.01 34.27 1x3b s GLN 139 CO 0.55 -0.10 1.11 -0.35 -2.12 0.00 0.00 175.29 174.38 1x3b n PRO 140 N 0.97 -2.06 -1.64 2.91 -0.04 -1.26 -4.88 135.00 129.00 1x3b n PRO 140 Ca -0.20 -1.74 -0.62 0.00 -0.04 0.00 0.00 63.50 60.90 1x3b n PRO 140 Cb 0.58 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.58 1x3b n PRO 140 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3b n SER 141 N -4.24 0.92 0.00 3.54 2.88 -1.26 -4.83 113.62 110.63 1x3b n SER 141 Ca 0.15 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1x3b n SER 141 Cb 0.53 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 2.93 2.88 3.76 0.46 0.00 -1.26 -5.16 105.19 108.80 1x3b n GLY 142 Ca 0.25 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.08 -0.62 -0.30 1.61 0.04 -1.26 -5.10 135.00 127.29 1x3b s PRO 143 Ca 0.00 -0.38 -0.16 0.00 0.04 0.00 0.00 61.00 60.50 1x3b s PRO 143 Cb 0.00 -1.70 0.20 0.00 0.04 0.00 0.00 34.50 33.04 1x3b s PRO 143 CO 0.00 -3.26 1.21 -1.54 0.04 0.00 0.00 177.00 173.45 1x3b s SER 144 N -4.50 -0.14 0.12 6.66 1.04 -1.26 -5.06 113.70 110.56 1x3b s SER 144 Ca 0.75 0.22 -0.32 0.00 0.48 0.00 0.00 55.95 57.08 1x3b s SER 144 Cb -0.05 1.07 -0.10 0.00 0.10 0.00 0.00 66.02 67.05 1x3b s SER 144 CO 0.55 -0.03 1.57 -1.28 0.98 0.00 0.00 173.24 175.02 1x3b h SER 145 N 5.49 -1.46 0.00 7.02 0.87 -2.08 -3.56 113.55 119.83 1x3b h SER 145 Ca -0.25 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1x3b h SER 145 Cb 1.16 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1x3b h SER 145 CO 0.21 -0.48 0.00 0.61 -0.53 0.00 0.00 176.83 176.64