#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 1.22 -3.23 1.61 2.88 -1.26 -5.08 113.62 109.76 1x3b n SER 2 Ca 0.00 0.19 0.03 0.00 -1.33 0.00 0.00 58.87 57.77 1x3b n SER 2 Cb 0.00 -0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 62.92 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 -5.60 -0.25 -0.78 -3.46 1.04 -1.26 -4.80 113.70 98.59 1x3b s SER 3 Ca -0.13 0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.63 1x3b s SER 3 Cb 0.02 1.26 0.20 0.00 0.10 0.00 0.00 66.02 67.60 1x3b s SER 3 CO 0.19 -0.05 0.65 0.61 0.98 0.00 0.00 173.24 175.62 1x3b n GLY 4 N 4.85 4.17 3.62 7.32 0.00 -1.26 -5.03 105.19 118.86 1x3b n GLY 4 Ca -0.07 -2.62 -0.07 0.00 0.00 0.00 0.00 46.02 43.26 1x3b n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3b s SER 5 N -1.12 -0.30 0.47 1.61 1.04 -1.26 -5.06 113.70 109.07 1x3b s SER 5 Ca 0.28 -0.20 -0.20 0.00 0.48 0.00 0.00 55.95 56.31 1x3b s SER 5 Cb -0.03 0.46 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 1x3b s SER 5 CO -0.13 -0.81 0.98 -0.55 0.98 0.00 0.00 173.24 173.71 1x3b s SER 6 N -2.72 6.68 0.88 7.02 0.15 -1.26 -4.76 113.70 119.68 1x3b s SER 6 Ca 0.08 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.45 1x3b s SER 6 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1x3b s SER 6 CO -0.04 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1x3b n GLY 7 N -0.76 1.31 3.65 9.45 0.00 -1.26 -4.61 105.19 112.97 1x3b n GLY 7 Ca 0.07 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 1x3b n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x3b s MET 8 N 0.00 0.00 -0.12 1.61 0.00 -1.26 -5.15 119.30 114.38 1x3b s MET 8 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 55.69 55.66 1x3b s MET 8 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 34.83 34.89 1x3b s MET 8 CO 0.00 -0.00 0.14 0.20 0.00 0.00 0.00 175.02 175.36 1x3b s GLY 9 N 0.27 0.13 0.96 3.16 0.00 -1.26 -5.06 107.32 105.52 1x3b s GLY 9 Ca 0.04 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.89 1x3b s GLY 9 CO -0.15 1.75 1.12 -0.51 0.00 0.00 0.00 173.10 175.31 1x3b s THR 10 N 2.25 2.14 0.24 0.90 -4.23 -1.26 -3.76 115.64 111.92 1x3b s THR 10 Ca 0.04 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 1x3b s THR 10 Cb -0.14 -2.11 0.34 0.00 1.34 0.00 0.00 72.50 71.93 1x3b s THR 10 CO -0.08 -0.06 1.60 1.62 -0.54 0.00 0.00 174.62 177.16 1x3b h VAL 11 N -1.98 0.20 0.52 2.29 3.04 -1.90 1.06 116.25 119.48 1x3b h VAL 11 Ca -0.47 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.19 1x3b h VAL 11 Cb 1.28 0.19 0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1x3b h VAL 11 CO 0.44 0.00 -0.25 0.24 -1.01 0.00 0.00 177.57 176.99 1x3b h MET 12 N 0.00 -0.67 -0.78 4.17 2.86 -1.90 -2.91 114.93 115.70 1x3b h MET 12 Ca 0.39 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 58.24 1x3b h MET 12 Cb 0.60 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 32.31 1x3b h MET 12 CO -0.83 -0.39 0.29 -0.44 1.06 0.00 0.00 176.91 176.60 1x3b h ASP 13 N -0.85 0.22 -1.12 1.22 3.32 -1.39 0.77 116.42 118.60 1x3b h ASP 13 Ca -0.07 0.13 0.31 0.00 0.02 0.00 0.00 57.03 57.42 1x3b h ASP 13 Cb 0.59 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.19 1x3b h ASP 13 CO 0.12 0.05 0.76 0.58 -1.72 0.00 0.00 179.24 179.02 1x3b h VAL 14 N 0.39 0.45 0.17 -1.35 2.07 0.13 1.35 116.25 119.45 1x3b h VAL 14 Ca 0.44 -0.07 -0.25 0.00 0.82 0.00 0.00 66.70 67.65 1x3b h VAL 14 Cb 0.73 0.23 0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1x3b h VAL 14 CO -0.46 0.04 -1.13 -0.07 0.02 0.00 0.00 177.57 175.96 1x3b h LEU 15 N 0.20 0.56 -0.11 2.57 3.38 0.59 -3.03 115.31 119.48 1x3b h LEU 15 Ca 0.59 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1x3b h LEU 15 Cb 1.90 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1x3b h LEU 15 CO -0.18 1.53 0.05 0.11 0.09 0.00 0.00 178.44 180.05 1x3b h LYS 16 N -0.20 0.11 0.05 1.13 1.57 0.16 -2.96 116.57 116.42 1x3b h LYS 16 Ca -0.21 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1x3b h LYS 16 Cb 1.82 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 34.06 1x3b h LYS 16 CO 0.17 0.08 -0.36 0.78 -0.57 0.00 0.00 179.45 179.55 1x3b h GLY 17 N 0.12 -0.66 -5.08 3.86 0.00 0.14 -3.39 103.07 98.06 1x3b h GLY 17 Ca 0.04 0.43 -0.54 0.00 0.00 0.00 0.00 47.33 47.26 1x3b h GLY 17 CO -0.02 -0.25 0.99 0.99 0.00 0.00 0.00 176.54 178.25 1x3b s ASP 18 N -4.79 6.71 0.29 0.19 1.11 -1.12 -4.88 116.67 114.19 1x3b s ASP 18 Ca -0.16 2.23 0.04 0.00 0.18 0.00 0.00 52.55 54.85 1x3b s ASP 18 Cb 0.08 -2.55 0.43 0.00 1.07 0.00 0.00 42.92 41.96 1x3b s ASP 18 CO 0.64 -0.85 1.72 -0.55 1.18 0.00 0.00 175.17 177.30 1x3b h ASN 19 N 8.73 0.40 -0.44 0.27 -1.07 -1.79 -2.30 115.58 119.38 1x3b h ASN 19 Ca -0.39 -0.14 0.13 0.00 0.07 0.00 0.00 56.30 55.96 1x3b h ASN 19 Cb 1.18 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 37.30 1x3b h ASN 19 CO 0.94 0.70 0.41 0.03 0.07 0.00 0.00 177.43 179.57 1x3b h ARG 20 N 0.34 0.00 -1.15 4.14 3.08 -1.89 0.06 114.38 118.95 1x3b h ARG 20 Ca 0.04 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.51 1x3b h ARG 20 Cb 0.72 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.36 1x3b h ARG 20 CO 0.06 0.00 -0.65 1.19 -1.07 0.00 0.00 179.97 179.50 1x3b n PHE 21 N -3.91 3.08 -0.09 3.04 3.72 -0.87 -3.52 117.46 118.91 1x3b n PHE 21 Ca 0.08 -2.66 -0.17 0.00 -0.05 0.00 0.00 57.45 54.65 1x3b n PHE 21 Cb 0.60 -0.29 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 1x3b n PHE 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1x3b h SER 22 N 2.38 0.00 -0.64 4.37 4.64 -0.97 -3.26 113.55 120.07 1x3b h SER 22 Ca 0.35 -0.54 0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1x3b h SER 22 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1x3b h SER 22 CO 0.86 1.23 0.42 0.24 -0.87 0.00 0.00 176.83 178.71 1x3b h MET 23 N -1.00 0.53 0.26 4.77 2.86 -1.85 -1.87 114.93 118.63 1x3b h MET 23 Ca -0.20 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1x3b h MET 23 Cb 1.06 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1x3b h MET 23 CO -0.12 0.35 -0.13 1.25 1.06 0.00 0.00 176.91 179.32 1x3b h LEU 24 N 0.54 -0.30 -0.71 1.22 5.85 -1.90 -2.75 115.31 117.26 1x3b h LEU 24 Ca 0.29 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.11 1x3b h LEU 24 Cb 0.42 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.39 1x3b h LEU 24 CO -0.09 -0.17 -0.25 0.58 -0.34 0.00 0.00 178.44 178.18 1x3b h VAL 25 N -0.41 0.21 -1.08 1.05 2.07 -1.39 1.17 116.25 117.88 1x3b h VAL 25 Ca -0.04 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.82 1x3b h VAL 25 Cb 0.31 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 30.16 1x3b h VAL 25 CO 0.06 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.30 1x3b h ALA 26 N 1.48 2.16 -0.21 1.67 0.00 -1.24 1.71 119.26 124.84 1x3b h ALA 26 Ca 0.32 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1x3b h ALA 26 Cb 0.55 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x3b h ALA 26 CO -0.75 -0.74 -0.03 0.00 0.00 0.00 0.00 179.25 177.73 1x3b h ALA 27 N 1.75 0.29 -0.10 0.00 0.00 0.15 0.14 119.26 121.48 1x3b h ALA 27 Ca 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1x3b h ALA 27 Cb 1.81 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1x3b h ALA 27 CO -0.50 0.05 0.01 0.82 0.00 0.00 0.00 179.25 179.63 1x3b h ILE 28 N 0.13 1.23 -0.07 0.00 2.04 0.19 0.51 117.51 121.54 1x3b h ILE 28 Ca 0.05 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.24 1x3b h ILE 28 Cb 0.47 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1x3b h ILE 28 CO 0.02 0.20 -0.26 -0.61 0.00 0.00 0.00 178.15 177.51 1x3b h GLN 29 N -0.07 -0.34 -0.69 2.37 -0.00 0.21 0.88 115.11 117.47 1x3b h GLN 29 Ca 0.03 0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.65 1x3b h GLN 29 Cb 0.31 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 1x3b h GLN 29 CO 0.00 -0.23 0.21 1.03 0.00 0.00 0.00 178.83 179.84 1x3b h SER 30 N -0.36 1.01 -0.13 -0.69 0.87 -0.91 -1.98 113.55 111.37 1x3b h SER 30 Ca 0.08 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1x3b h SER 30 Cb 0.48 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1x3b h SER 30 CO -0.27 0.95 0.03 0.00 -0.53 0.00 0.00 176.83 177.01 1x3b h ALA 31 N 1.09 1.67 -1.09 6.23 0.00 0.93 -3.47 119.26 124.63 1x3b h ALA 31 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x3b h ALA 31 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x3b h ALA 31 CO -0.01 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1x3b n GLY 32 N -1.21 0.87 0.03 0.00 0.00 0.30 -4.88 105.19 100.30 1x3b n GLY 32 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.54 0.00 -0.32 0.99 4.77 -0.80 -4.56 117.00 116.54 1x3b n LEU 33 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1x3b n LEU 33 Cb 0.46 0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.79 1x3b n LEU 33 CO 0.00 0.14 0.66 0.74 -1.33 0.00 0.00 177.39 177.60 1x3b h THR 34 N 0.00 0.08 0.20 -5.08 2.02 -1.89 0.43 112.91 108.68 1x3b h THR 34 Ca -0.16 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1x3b h THR 34 Cb 1.17 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1x3b h THR 34 CO 0.01 0.00 -0.41 -0.33 0.37 0.00 0.00 175.52 175.16 1x3b h GLU 35 N -0.02 -0.67 -0.42 6.66 4.39 -1.93 1.19 114.58 123.79 1x3b h GLU 35 Ca 0.40 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.26 1x3b h GLU 35 Cb 0.64 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1x3b h GLU 35 CO -0.92 -0.45 0.33 1.15 -1.16 0.00 0.00 179.01 177.96 1x3b h THR 36 N -0.70 0.67 -0.22 1.13 2.02 -1.03 1.27 112.91 116.05 1x3b h THR 36 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1x3b h THR 36 Cb 0.69 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1x3b h THR 36 CO -0.19 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.88 1x3b n LEU 37 N -4.21 2.64 -0.01 2.58 4.77 0.12 -3.79 117.00 119.10 1x3b n LEU 37 Ca 0.07 -1.06 0.07 0.00 -0.03 0.00 0.00 56.01 55.07 1x3b n LEU 37 Cb 0.52 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1x3b n LEU 37 CO 0.34 0.53 -0.71 -3.20 -1.33 0.00 0.00 177.39 173.02 1x3b n ASN 38 N 0.98 1.29 -4.80 -1.43 2.85 0.41 -4.39 115.26 110.18 1x3b n ASN 38 Ca 0.17 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.29 1x3b n ASN 38 Cb 0.50 1.70 -0.06 0.00 1.24 0.00 0.00 39.78 43.16 1x3b n ASN 38 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x3b s ARG 39 N -3.09 4.45 0.29 1.20 1.70 0.28 -4.99 118.95 118.78 1x3b s ARG 39 Ca -0.06 1.20 -0.30 0.00 -0.47 0.00 0.00 55.73 56.10 1x3b s ARG 39 Cb 0.10 -2.67 -0.12 0.00 -0.57 0.00 0.00 34.95 31.69 1x3b s ARG 39 CO 0.67 0.22 1.46 0.39 -1.08 0.00 0.00 175.30 176.97 1x3b n GLU 40 N 0.30 2.36 0.00 3.89 1.02 -1.26 -4.74 120.64 122.20 1x3b n GLU 40 Ca 0.03 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1x3b n GLU 40 Cb 0.51 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 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 1.75 -0.53 3.60 0.62 0.00 -1.26 -5.13 105.19 104.25 1x3b n GLY 41 Ca 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.00 -0.25 1.61 -7.23 -1.24 -4.32 120.40 108.96 1x3b s VAL 42 Ca 0.00 0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.09 1x3b s VAL 42 Cb 0.00 -0.96 0.11 0.00 0.56 0.00 0.00 36.38 36.09 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 1.51 -1.09 -0.49 2.82 2.02 -1.26 -4.05 117.35 116.81 1x3b s TYR 43 Ca -0.09 1.94 -0.21 0.00 -0.37 0.00 0.00 57.07 58.34 1x3b s TYR 43 Cb -0.05 0.57 0.04 0.00 -0.40 0.00 0.00 41.96 42.12 1x3b s TYR 43 CO -0.18 -0.58 0.71 0.99 -1.57 0.00 0.00 175.55 174.92 1x3b s THR 44 N 2.76 4.74 0.22 -0.71 2.01 -1.21 -3.64 115.64 119.82 1x3b s THR 44 Ca -0.04 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1x3b s THR 44 Cb -0.12 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1x3b s THR 44 CO -0.16 -0.81 0.03 -0.69 -0.69 0.00 0.00 174.62 172.30 1x3b s VAL 45 N 3.01 3.74 -0.16 3.82 1.01 -1.23 -0.59 120.40 130.00 1x3b s VAL 45 Ca 0.21 -1.62 -0.00 0.00 0.00 0.00 0.00 61.98 60.57 1x3b s VAL 45 Cb -0.16 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.31 1x3b s VAL 45 CO 0.16 -0.26 -0.06 -0.36 0.00 0.00 0.00 175.10 174.58 1x3b s PHE 46 N -2.04 1.71 -0.27 5.22 0.40 -1.13 -2.12 117.98 119.75 1x3b s PHE 46 Ca 0.30 -1.06 -0.06 0.00 -0.60 0.00 0.00 56.93 55.51 1x3b s PHE 46 Cb -0.08 -1.32 -0.00 0.00 0.51 0.00 0.00 43.02 42.12 1x3b s PHE 46 CO 0.20 -0.61 0.05 0.00 0.70 0.00 0.00 175.22 175.57 1x3b s ALA 47 N 1.63 3.04 0.85 5.36 0.00 -1.24 -4.84 121.76 126.57 1x3b s ALA 47 Ca 0.01 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.54 1x3b s ALA 47 Cb -0.15 -2.05 0.10 0.00 0.00 0.00 0.00 23.12 21.03 1x3b s ALA 47 CO -0.08 -0.72 1.12 -1.25 0.00 0.00 0.00 175.76 174.83 1x3b s PRO 48 N 1.52 1.66 0.98 0.00 0.04 -1.26 -1.18 135.00 136.76 1x3b s PRO 48 Ca 0.04 0.48 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 1x3b s PRO 48 Cb -0.16 -1.88 0.25 0.00 0.04 0.00 0.00 34.50 32.74 1x3b s PRO 48 CO 0.02 -1.88 0.78 0.25 0.04 0.00 0.00 177.00 176.20 1x3b n THR 49 N -3.58 0.00 0.10 1.26 -2.24 -0.58 -4.66 114.28 104.58 1x3b n THR 49 Ca 0.07 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1x3b n THR 49 Cb 0.58 -1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 67.62 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 -2.56 0.86 0.55 3.42 -0.73 -1.93 -3.08 115.58 112.11 1x3b h ASN 50 Ca -0.31 -0.81 0.00 0.00 1.87 0.00 0.00 56.30 57.06 1x3b h ASN 50 Cb 0.96 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1x3b h ASN 50 CO 0.20 1.61 0.00 -0.62 -0.37 0.00 0.00 177.43 178.25 1x3b n GLU 51 N -3.78 0.08 0.28 6.67 1.02 -1.26 -2.71 120.64 120.95 1x3b n GLU 51 Ca -0.14 0.35 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1x3b n GLU 51 Cb 1.00 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.69 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 2.36 -0.81 -0.25 0.62 0.00 -1.84 -2.40 119.26 116.95 1x3b h ALA 52 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x3b h ALA 52 Cb 0.27 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1x3b h ALA 52 CO 0.00 -0.76 0.15 0.74 0.00 0.00 0.00 179.25 179.39 1x3b h PHE 53 N -1.14 0.31 0.00 0.00 -1.00 -1.64 -0.08 116.94 113.40 1x3b h PHE 53 Ca -0.08 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.68 1x3b h PHE 53 Cb 0.59 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 1x3b h PHE 53 CO 0.01 0.21 -0.14 0.00 -1.61 0.00 0.00 178.31 176.78 1x3b h ARG 54 N 0.34 0.00 -0.01 1.51 3.08 -1.49 -2.07 114.38 115.73 1x3b h ARG 54 Ca 0.09 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.88 1x3b h ARG 54 Cb -0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.05 1x3b h ARG 54 CO -0.02 0.14 -0.99 0.00 -1.07 0.00 0.00 179.97 178.03 1x3b h ALA 55 N 1.86 0.14 -1.47 0.04 0.00 -0.48 -3.45 119.26 115.89 1x3b h ALA 55 Ca -0.00 -0.68 -0.64 0.00 0.00 0.00 0.00 54.91 53.58 1x3b h ALA 55 Cb 0.31 0.05 0.11 0.00 0.00 0.00 0.00 17.79 18.26 1x3b h ALA 55 CO 0.02 0.66 -0.18 1.28 0.00 0.00 0.00 179.25 181.03 1x3b n LEU 56 N -3.89 0.29 -4.78 0.00 4.77 -0.78 -4.94 117.00 107.67 1x3b n LEU 56 Ca -0.11 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.73 1x3b n LEU 56 Cb 0.86 -1.11 0.17 0.00 -2.33 0.00 0.00 43.42 41.01 1x3b n LEU 56 CO 0.55 -2.16 0.73 -2.16 -1.33 0.00 0.00 177.39 173.02 1x3b s PRO 57 N -1.18 0.41 0.11 3.23 0.04 -1.26 -4.84 135.00 131.52 1x3b s PRO 57 Ca 0.63 0.01 0.23 0.00 0.04 0.00 0.00 61.00 61.92 1x3b s PRO 57 Cb -0.83 -1.78 0.92 0.00 0.04 0.00 0.00 34.50 32.84 1x3b s PRO 57 CO 0.58 -2.64 1.72 -0.35 0.04 0.00 0.00 177.00 176.35 1x3b n PRO 58 N -4.02 0.11 -0.01 0.56 -0.04 -1.26 -1.24 135.00 129.10 1x3b n PRO 58 Ca 0.10 0.22 -0.21 0.00 -0.04 0.00 0.00 63.50 63.57 1x3b n PRO 58 Cb 0.59 -1.66 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 1x3b n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x3b h ARG 59 N 0.00 0.22 0.00 0.54 3.08 -2.00 -3.28 114.38 112.94 1x3b h ARG 59 Ca 0.00 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.62 1x3b h ARG 59 Cb 0.46 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1x3b h ARG 59 CO 0.00 1.18 -0.28 1.49 -1.07 0.00 0.00 179.97 181.29 1x3b h GLU 60 N -0.33 0.00 0.00 0.04 4.81 -1.92 -2.62 114.58 114.56 1x3b h GLU 60 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1x3b h GLU 60 Cb 1.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.13 1x3b h GLU 60 CO 0.03 0.28 0.00 -2.13 -0.73 0.00 0.00 179.01 176.45 1x3b n ARG 61 N -3.23 0.00 0.01 1.92 0.63 -0.37 -2.55 116.66 113.06 1x3b n ARG 61 Ca 0.02 0.19 0.22 0.00 -0.92 0.00 0.00 57.85 57.36 1x3b n ARG 61 Cb 0.58 -1.05 0.72 0.00 0.45 0.00 0.00 32.46 33.16 1x3b n ARG 61 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1x3b h SER 62 N 0.00 0.00 -0.58 6.15 0.02 -1.71 1.33 113.55 118.76 1x3b h SER 62 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1x3b h SER 62 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1x3b h SER 62 CO 0.00 0.00 0.21 0.03 -1.14 0.00 0.00 176.83 175.93 1x3b h ARG 63 N 0.00 0.37 0.01 3.45 2.47 -1.47 1.37 114.38 120.59 1x3b h ARG 63 Ca 0.26 -0.02 -0.41 0.00 -1.26 0.00 0.00 59.98 58.55 1x3b h ARG 63 Cb 1.15 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 29.32 1x3b h ARG 63 CO -0.00 0.25 -2.30 1.28 0.56 0.00 0.00 179.97 179.76 1x3b n LEU 64 N -5.01 2.23 0.19 3.04 4.77 0.10 -2.90 117.00 119.42 1x3b n LEU 64 Ca 0.08 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1x3b n LEU 64 Cb 0.25 -0.89 0.69 0.00 -2.33 0.00 0.00 43.42 41.15 1x3b n LEU 64 CO 0.22 0.63 0.89 -0.07 -1.33 0.00 0.00 177.39 177.74 1x3b h LEU 65 N -0.70 0.00 0.00 2.23 3.38 0.16 -3.30 115.31 117.09 1x3b h LEU 65 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1x3b h LEU 65 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1x3b h LEU 65 CO -0.28 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.86 1x3b n GLY 66 N -1.16 -0.27 3.74 0.83 0.00 0.47 -4.93 105.19 103.87 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 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 67 N -1.11 6.41 -0.11 1.61 1.11 -1.14 -4.91 116.67 118.53 1x3b s ASP 67 Ca 0.00 2.88 -0.24 0.00 0.18 0.00 0.00 52.55 55.37 1x3b s ASP 67 Cb 0.00 -2.62 -0.27 0.00 1.07 0.00 0.00 42.92 41.10 1x3b s ASP 67 CO 0.00 -0.91 0.71 0.00 1.18 0.00 0.00 175.17 176.15 1x3b h ALA 68 N 5.71 0.03 -0.44 5.23 0.00 -1.88 -2.81 119.26 125.09 1x3b h ALA 68 Ca -0.45 -0.75 0.08 0.00 0.00 0.00 0.00 54.91 53.79 1x3b h ALA 68 Cb 1.21 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 1x3b h ALA 68 CO 0.86 0.34 -0.41 0.87 0.00 0.00 0.00 179.25 180.91 1x3b h LYS 69 N -0.68 -0.28 -0.23 0.00 1.79 -1.94 0.53 116.57 115.76 1x3b h LYS 69 Ca -0.14 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1x3b h LYS 69 Cb 1.37 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.08 1x3b h LYS 69 CO 0.03 -0.19 0.05 0.93 -1.08 0.00 0.00 179.45 179.20 1x3b h GLU 70 N -0.29 0.32 0.00 3.15 4.39 -1.89 -0.57 114.58 119.69 1x3b h GLU 70 Ca 0.15 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1x3b h GLU 70 Cb 0.57 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1x3b h GLU 70 CO -0.59 0.30 0.00 -0.11 -1.16 0.00 0.00 179.01 177.45 1x3b n LEU 71 N -4.40 0.00 -0.31 1.33 0.00 0.16 -1.28 117.00 112.50 1x3b n LEU 71 Ca 0.00 0.99 0.10 0.00 0.00 0.00 0.00 56.01 57.10 1x3b n LEU 71 Cb 0.15 -0.49 0.26 0.00 0.00 0.00 0.00 43.42 43.34 1x3b n LEU 71 CO 0.36 -0.49 1.11 0.00 0.00 0.00 0.00 177.39 178.36 1x3b h ALA 72 N -1.87 1.40 -0.70 1.96 0.00 -0.89 0.15 119.26 119.31 1x3b h ALA 72 Ca 0.00 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1x3b h ALA 72 Cb 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.67 1x3b h ALA 72 CO 0.00 -0.14 -0.10 -0.97 0.00 0.00 0.00 179.25 178.03 1x3b h ASN 73 N 0.60 -0.52 0.32 0.00 -1.24 -0.85 1.51 115.58 115.40 1x3b h ASN 73 Ca 0.51 0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.70 1x3b h ASN 73 Cb 0.80 0.39 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1x3b h ASN 73 CO -0.41 -0.21 -0.16 0.40 -1.29 0.00 0.00 177.43 175.77 1x3b h ILE 74 N 0.04 0.68 -0.48 2.57 1.08 0.61 -2.63 117.51 119.37 1x3b h ILE 74 Ca 0.35 -0.52 0.10 0.00 -0.39 0.00 0.00 64.86 64.40 1x3b h ILE 74 Cb 0.57 0.94 -0.10 0.00 -3.07 0.00 0.00 36.82 35.17 1x3b h ILE 74 CO -0.68 0.10 -0.24 -0.07 -0.69 0.00 0.00 178.15 176.57 1x3b h LEU 75 N -0.73 -0.83 -0.68 1.44 3.38 0.19 0.18 115.31 118.26 1x3b h LEU 75 Ca -0.04 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1x3b h LEU 75 Cb 0.50 0.44 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 1x3b h LEU 75 CO 0.07 -0.26 -0.23 0.11 0.09 0.00 0.00 178.44 178.23 1x3b h LYS 76 N -0.14 -0.05 0.00 1.13 1.57 0.21 1.59 116.57 120.89 1x3b h LYS 76 Ca 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1x3b h LYS 76 Cb 0.48 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1x3b h LYS 76 CO -0.56 -0.03 -0.10 -0.92 -0.57 0.00 0.00 179.45 177.26 1x3b h TYR 77 N -0.05 0.00 0.00 -1.35 3.20 -0.44 -0.59 116.97 117.75 1x3b h TYR 77 Ca 0.31 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1x3b h TYR 77 Cb 0.53 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1x3b h TYR 77 CO -0.59 0.10 -0.25 0.45 -1.64 0.00 0.00 178.16 176.23 1x3b h HIS 78 N 0.00 0.00 -2.99 -3.82 3.86 0.46 -3.45 115.15 109.21 1x3b h HIS 78 Ca -0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1x3b h HIS 78 Cb 0.31 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 1x3b h HIS 78 CO 0.00 0.06 -0.53 0.42 0.86 0.00 0.00 177.93 178.74 1x3b s ILE 79 N -3.20 5.12 0.50 2.45 1.01 0.19 -2.84 121.20 124.43 1x3b s ILE 79 Ca 0.05 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1x3b s ILE 79 Cb 0.06 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1x3b s ILE 79 CO 0.70 0.14 0.04 -0.83 0.00 0.00 0.00 174.94 174.99 1x3b s GLY 80 N -2.47 2.90 -0.40 6.18 0.00 0.24 -3.75 107.32 110.02 1x3b s GLY 80 Ca 0.33 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 44.40 1x3b s GLY 80 CO 0.26 -2.16 1.48 1.34 0.00 0.00 0.00 173.10 174.02 1x3b n ASP 81 N -1.27 5.26 0.00 1.64 2.03 0.96 -3.78 116.55 121.39 1x3b n ASP 81 Ca -0.16 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.38 1x3b n ASP 81 Cb 0.67 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.85 0.00 -3.39 -0.67 0.28 -1.26 -4.92 120.64 109.84 1x3b n GLU 82 Ca 0.47 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 57.10 1x3b n GLU 82 Cb 0.89 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.70 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 5.21 -0.06 3.84 -1.09 -1.26 -3.34 121.20 122.49 1x3b s ILE 83 Ca 0.00 0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 59.24 1x3b s ILE 83 Cb 0.00 -3.76 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1x3b s ILE 83 CO 0.00 0.36 0.02 -0.22 -1.23 0.00 0.00 174.94 173.87 1x3b s LEU 84 N 0.46 0.46 0.24 2.97 0.20 -1.26 -5.08 118.68 116.67 1x3b s LEU 84 Ca 0.23 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 55.03 1x3b s LEU 84 Cb -0.15 -0.35 -0.05 0.00 -0.43 0.00 0.00 46.19 45.21 1x3b s LEU 84 CO 0.09 -0.21 0.08 0.68 -0.29 0.00 0.00 176.35 176.69 1x3b s VAL 85 N 2.03 0.57 -1.01 1.68 -7.23 -1.26 -4.95 120.40 110.23 1x3b s VAL 85 Ca 0.05 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1x3b s VAL 85 Cb -0.12 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1x3b s VAL 85 CO -0.05 -0.10 2.22 -1.54 -0.31 0.00 0.00 175.10 175.32 1x3b n SER 86 N -0.41 5.34 -2.98 4.85 3.41 -1.26 -4.36 113.62 118.21 1x3b n SER 86 Ca -0.01 -2.37 -0.16 0.00 -0.26 0.00 0.00 58.87 56.06 1x3b n SER 86 Cb 0.66 -1.16 -0.01 0.00 -0.26 0.00 0.00 64.21 63.43 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 3.77 1.36 0.00 5.00 0.00 -1.26 -4.91 105.19 109.15 1x3b n GLY 87 Ca 0.49 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.68 0.97 0.00 -0.02 0.00 -1.26 -5.12 105.19 101.43 1x3b n GLY 88 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 0.00 -0.61 2.08 -1.26 -5.06 119.36 114.50 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 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.64 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 1.91 0.14 5.06 7.39 0.00 -1.26 -4.89 105.19 113.53 1x3b n GLY 90 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.08 4.61 0.00 -1.26 -4.66 120.51 116.12 1x3b n ALA 91 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1x3b n ALA 91 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1x3b n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x3b s LEU 92 N 0.00 1.29 -0.02 0.00 1.98 -1.26 -4.23 118.68 116.44 1x3b s LEU 92 Ca 0.00 -0.17 -0.02 0.00 -2.89 0.00 0.00 54.13 51.06 1x3b s LEU 92 Cb 0.00 0.93 0.00 0.00 0.66 0.00 0.00 46.19 47.79 1x3b s LEU 92 CO 0.00 -0.45 0.04 -0.69 -1.89 0.00 0.00 176.35 173.37 1x3b s VAL 93 N -1.70 0.00 -0.33 1.68 1.01 -0.72 -5.01 120.40 115.32 1x3b s VAL 93 Ca -0.12 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1x3b s VAL 93 Cb -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 36.38 36.27 1x3b s VAL 93 CO 0.01 -0.00 0.16 -0.13 0.00 0.00 0.00 175.10 175.14 1x3b s ARG 94 N 0.02 3.11 -0.28 2.72 1.81 -1.26 -1.62 118.95 123.46 1x3b s ARG 94 Ca -0.00 -0.87 -0.15 0.00 -1.72 0.00 0.00 55.73 52.99 1x3b s ARG 94 Cb -0.00 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.86 1x3b s ARG 94 CO 0.00 -0.52 0.39 -1.17 -0.68 0.00 0.00 175.30 173.32 1x3b s LEU 95 N 1.58 4.07 0.06 2.53 0.20 0.29 -4.91 118.68 122.50 1x3b s LEU 95 Ca 0.03 0.27 -0.31 0.00 0.69 0.00 0.00 54.13 54.82 1x3b s LEU 95 Cb -0.18 -2.45 -0.07 0.00 -0.43 0.00 0.00 46.19 43.06 1x3b s LEU 95 CO 0.06 -0.21 1.42 -0.75 -0.29 0.00 0.00 176.35 176.58 1x3b s LYS 96 N 2.10 4.29 0.50 1.98 2.20 -1.26 0.14 119.74 129.69 1x3b s LYS 96 Ca 0.16 2.05 0.08 0.00 -0.36 0.00 0.00 55.97 57.90 1x3b s LYS 96 Cb -0.16 -3.43 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1x3b s LYS 96 CO 0.10 -0.53 0.63 0.45 -0.36 0.00 0.00 175.35 175.64 1x3b s SER 97 N 1.59 5.26 -0.12 1.43 0.15 -1.24 -0.03 113.70 120.75 1x3b s SER 97 Ca 0.65 -0.71 -0.18 0.00 0.70 0.00 0.00 55.95 56.41 1x3b s SER 97 Cb -0.35 -0.15 -0.26 0.00 -1.71 0.00 0.00 66.02 63.55 1x3b s SER 97 CO 0.29 -1.02 0.56 -0.07 1.20 0.00 0.00 173.24 174.19 1x3b h LEU 98 N 0.50 0.30 -1.96 3.45 3.38 -1.68 -3.31 115.31 115.99 1x3b h LEU 98 Ca -0.36 -0.83 0.29 0.00 0.09 0.00 0.00 57.88 57.07 1x3b h LEU 98 Cb 1.28 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1x3b h LEU 98 CO 0.46 1.53 0.72 -0.61 0.09 0.00 0.00 178.44 180.62 1x3b h GLN 99 N -0.47 0.03 0.00 1.13 4.15 -1.86 -3.45 115.11 114.64 1x3b h GLN 99 Ca -0.27 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1x3b h GLN 99 Cb 1.62 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.30 1x3b h GLN 99 CO 0.02 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.35 1x3b n GLY 100 N -1.72 3.69 3.71 2.39 0.00 -1.25 -5.01 105.19 107.00 1x3b n GLY 100 Ca 0.21 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 6.93 0.25 1.61 1.01 -1.26 -4.64 116.67 120.57 1x3b s ASP 101 Ca 0.00 2.19 -0.30 0.00 0.71 0.00 0.00 52.55 55.15 1x3b s ASP 101 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1x3b s ASP 101 CO 0.00 -0.57 1.03 -0.54 0.21 0.00 0.00 175.17 175.30 1x3b s LYS 102 N 1.10 4.72 -0.01 8.23 3.01 -1.26 -3.66 119.74 131.87 1x3b s LYS 102 Ca 0.62 1.66 -0.16 0.00 -1.01 0.00 0.00 55.97 57.08 1x3b s LYS 102 Cb -0.34 -3.24 -0.06 0.00 -1.01 0.00 0.00 37.83 33.19 1x3b s LYS 102 CO 0.30 0.32 0.44 -0.51 0.51 0.00 0.00 175.35 176.40 1x3b s LEU 103 N -1.15 4.45 -0.18 3.17 1.43 0.38 -4.86 118.68 121.91 1x3b s LEU 103 Ca 0.44 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.40 1x3b s LEU 103 Cb -0.29 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 1x3b s LEU 103 CO 0.36 0.27 0.18 -1.61 0.23 0.00 0.00 176.35 175.79 1x3b s GLU 104 N -0.81 4.18 -0.03 1.70 2.02 -1.26 0.10 118.70 124.60 1x3b s GLU 104 Ca 0.25 -0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.12 1x3b s GLU 104 Cb -0.17 -3.41 0.03 0.00 0.10 0.00 0.00 34.13 30.68 1x3b s GLU 104 CO 0.13 0.30 0.05 0.08 0.02 0.00 0.00 175.26 175.85 1x3b s VAL 105 N 0.32 -0.08 0.25 2.63 1.01 -0.64 -0.49 120.40 123.40 1x3b s VAL 105 Ca 0.11 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1x3b s VAL 105 Cb -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1x3b s VAL 105 CO 0.00 0.11 0.20 -0.94 0.00 0.00 0.00 175.10 174.48 1x3b s SER 106 N 1.40 0.63 -0.25 3.32 1.04 -1.20 -1.76 113.70 116.88 1x3b s SER 106 Ca -0.05 -1.49 0.01 0.00 0.48 0.00 0.00 55.95 54.90 1x3b s SER 106 Cb -0.13 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.51 1x3b s SER 106 CO -0.03 -0.93 -0.04 -0.22 0.98 0.00 0.00 173.24 173.00 1x3b s LEU 107 N -3.22 2.80 -0.02 2.42 2.96 -1.26 -2.82 118.68 119.54 1x3b s LEU 107 Ca 0.39 -1.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.02 1x3b s LEU 107 Cb 0.05 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 1x3b s LEU 107 CO 0.17 -0.26 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.26 1x3b s LYS 108 N 1.35 1.22 -1.89 1.98 1.02 -0.47 -4.68 119.74 118.27 1x3b s LYS 108 Ca -0.03 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1x3b s LYS 108 Cb -0.19 -1.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 1x3b s LYS 108 CO -0.08 0.26 0.00 0.09 -0.92 0.00 0.00 175.35 174.71 1x3b n ASN 109 N 2.88 -5.14 -0.36 2.83 3.02 -1.26 0.91 115.26 118.15 1x3b n ASN 109 Ca -0.15 0.44 -0.05 0.00 -0.03 0.00 0.00 54.58 54.79 1x3b n ASN 109 Cb 0.55 -4.44 -0.02 0.00 -0.61 0.00 0.00 39.78 35.26 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 -1.16 -3.62 -4.48 6.41 2.85 -1.26 -5.02 115.26 108.98 1x3b n ASN 110 Ca -0.18 0.12 -0.31 0.00 -0.11 0.00 0.00 54.58 54.10 1x3b n ASN 110 Cb 0.62 -1.54 -0.12 0.00 1.24 0.00 0.00 39.78 39.98 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 -2.16 2.97 0.04 3.44 1.01 0.26 -5.12 120.40 120.84 1x3b s VAL 111 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 1x3b s VAL 111 Cb 0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1x3b s VAL 111 CO 0.00 0.40 0.36 -0.69 0.00 0.00 0.00 175.10 175.17 1x3b s VAL 112 N -0.89 5.15 0.03 2.92 1.01 -1.26 -1.37 120.40 125.99 1x3b s VAL 112 Ca 0.14 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1x3b s VAL 112 Cb -0.11 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1x3b s VAL 112 CO 0.05 0.36 -0.04 -0.44 0.00 0.00 0.00 175.10 175.03 1x3b s SER 113 N -1.62 0.41 -0.28 3.32 0.01 -1.13 -2.78 113.70 111.63 1x3b s SER 113 Ca 0.30 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 1x3b s SER 113 Cb -0.14 0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.27 1x3b s SER 113 CO 0.16 -0.28 0.10 0.54 0.41 0.00 0.00 173.24 174.17 1x3b s VAL 114 N -1.49 0.42 -0.11 3.43 0.11 -0.07 -3.22 120.40 119.47 1x3b s VAL 114 Ca -0.14 -0.99 -0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1x3b s VAL 114 Cb -0.10 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.48 1x3b s VAL 114 CO -0.01 -0.62 0.01 0.59 -3.33 0.00 0.00 175.10 171.74 1x3b n ASN 115 N 5.05 -1.46 0.00 3.54 3.02 0.35 -2.71 115.26 123.06 1x3b n ASN 115 Ca -0.05 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1x3b n ASN 115 Cb 0.43 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.07 -0.05 -3.47 3.52 5.02 -1.26 -4.99 118.16 115.86 1x3b n LYS 116 Ca -0.01 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1x3b n LYS 116 Cb 0.51 -2.91 -0.06 0.00 -0.02 0.00 0.00 35.03 32.56 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 -0.19 3.92 0.30 1.97 8.01 -1.10 -5.06 118.70 126.55 1x3b s GLU 117 Ca 0.00 0.40 -0.28 0.00 0.01 0.00 0.00 54.97 55.10 1x3b s GLU 117 Cb 0.00 -3.11 -0.09 0.00 -4.31 0.00 0.00 34.13 26.62 1x3b s GLU 117 CO 0.00 0.61 1.08 -1.25 0.01 0.00 0.00 175.26 175.71 1x3b s PRO 118 N -1.46 4.55 0.22 0.39 0.04 -1.26 -0.90 135.00 136.59 1x3b s PRO 118 Ca 0.29 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.08 1x3b s PRO 118 Cb -0.16 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1x3b s PRO 118 CO 0.16 0.16 0.36 0.08 0.04 0.00 0.00 177.00 177.80 1x3b s VAL 119 N -1.27 5.26 0.00 -0.36 1.01 -1.12 -3.40 120.40 120.53 1x3b s VAL 119 Ca 0.47 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1x3b s VAL 119 Cb -0.29 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1x3b s VAL 119 CO 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.20 1x3b n ALA 120 N -1.18 0.00 -3.83 5.51 0.00 0.61 -4.78 120.51 116.84 1x3b n ALA 120 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 1x3b n ALA 120 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 1x3b n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x3b s GLU 121 N 0.00 1.80 0.94 0.00 0.41 -1.10 -4.98 118.70 115.77 1x3b s GLU 121 Ca 0.00 -2.56 -0.16 0.00 -0.41 0.00 0.00 54.97 51.84 1x3b s GLU 121 Cb 0.00 -2.91 0.23 0.00 -1.78 0.00 0.00 34.13 29.66 1x3b s GLU 121 CO 0.00 -1.18 1.04 -0.35 -0.49 0.00 0.00 175.26 174.27 1x3b n PRO 122 N 2.97 -1.96 -2.94 0.39 -0.04 -1.26 -3.32 135.00 128.83 1x3b n PRO 122 Ca 0.11 -1.63 -0.07 0.00 -0.04 0.00 0.00 63.50 61.87 1x3b n PRO 122 Cb 0.34 -1.28 0.03 0.00 -0.04 0.00 0.00 33.50 32.56 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 -4.16 -6.45 -4.11 3.54 9.92 -1.24 -4.94 116.55 109.11 1x3b n ASP 123 Ca 0.14 -0.38 -0.37 0.00 -0.53 0.00 0.00 54.79 53.65 1x3b n ASP 123 Cb 0.50 -4.65 -0.10 0.00 -0.64 0.00 0.00 41.12 36.23 1x3b n ASP 123 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1x3b s ILE 124 N -3.19 3.65 0.19 0.53 1.01 -0.76 -4.99 121.20 117.63 1x3b s ILE 124 Ca 0.23 -2.72 -0.31 0.00 0.00 0.00 0.00 60.65 57.85 1x3b s ILE 124 Cb -0.03 -3.41 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 1x3b s ILE 124 CO 0.64 -0.83 1.59 -0.04 0.00 0.00 0.00 174.94 176.30 1x3b s MET 125 N 0.25 4.19 0.00 2.79 -1.94 -1.26 -1.52 119.30 121.82 1x3b s MET 125 Ca 0.15 2.42 0.00 0.00 -1.71 0.00 0.00 55.69 56.55 1x3b s MET 125 Cb -0.21 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.51 1x3b s MET 125 CO -0.04 -0.62 0.00 0.00 -0.01 0.00 0.00 175.02 174.35 1x3b n ALA 126 N 3.74 0.00 0.47 3.03 0.00 -0.25 -4.89 120.51 122.62 1x3b n ALA 126 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1x3b n ALA 126 Cb 0.38 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.91 1x3b n ALA 126 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x3b n THR 127 N -0.23 0.33 -2.66 0.00 -2.24 -1.25 -4.50 114.28 103.74 1x3b n THR 127 Ca 0.00 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 1x3b n THR 127 Cb 0.00 -0.05 0.08 0.00 -2.10 0.00 0.00 70.33 68.26 1x3b n THR 127 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1x3b n ASN 128 N -2.17 -1.37 0.00 3.42 2.04 -1.26 -5.00 115.26 110.92 1x3b n ASN 128 Ca 0.02 -2.03 0.00 0.00 -0.44 0.00 0.00 54.58 52.13 1x3b n ASN 128 Cb 0.46 0.79 0.00 0.00 -2.53 0.00 0.00 39.78 38.50 1x3b n ASN 128 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x3b n GLY 129 N -0.78 -1.17 3.34 4.83 0.00 -1.26 -3.64 105.19 106.51 1x3b n GLY 129 Ca -0.12 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 0.64 -0.03 1.61 0.11 -1.24 -1.09 120.40 117.40 1x3b s VAL 130 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 1x3b s VAL 130 Cb 0.00 -2.65 0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1x3b s VAL 130 CO 0.00 0.00 0.26 -0.69 -3.33 0.00 0.00 175.10 171.34 1x3b s VAL 131 N -3.68 0.05 -0.32 2.04 1.01 -0.57 -3.53 120.40 115.39 1x3b s VAL 131 Ca 0.37 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1x3b s VAL 131 Cb 0.08 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 36.05 1x3b s VAL 131 CO 0.14 -0.23 0.15 -1.00 0.00 0.00 0.00 175.10 174.16 1x3b s HIS 132 N -0.99 0.96 0.14 5.22 3.76 -0.90 -1.83 115.29 121.65 1x3b s HIS 132 Ca -0.11 -1.42 -0.32 0.00 -0.15 0.00 0.00 55.06 53.07 1x3b s HIS 132 Cb -0.05 -1.23 -0.12 0.00 1.11 0.00 0.00 32.58 32.29 1x3b s HIS 132 CO 0.03 -0.84 1.78 0.28 -0.85 0.00 0.00 174.74 175.13 1x3b n VAL 133 N 4.75 0.23 -3.36 -0.90 0.31 -1.21 -3.61 118.33 114.54 1x3b n VAL 133 Ca -0.00 -0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.09 1x3b n VAL 133 Cb 0.40 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.32 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 2.14 2.72 -0.23 2.52 -4.36 -0.32 0.22 121.20 123.89 1x3b s ILE 134 Ca 0.80 -1.22 0.13 0.00 -0.26 0.00 0.00 60.65 60.11 1x3b s ILE 134 Cb -0.52 -2.94 0.54 0.00 1.25 0.00 0.00 42.46 40.79 1x3b s ILE 134 CO 0.37 0.00 1.47 0.35 0.24 0.00 0.00 174.94 177.37 1x3b n THR 135 N -1.69 2.44 0.00 8.37 -2.24 -1.22 -1.52 114.28 118.42 1x3b n THR 135 Ca 0.05 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1x3b n THR 135 Cb 0.61 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.73 0.00 -4.73 3.42 3.02 -1.26 -4.77 115.26 110.21 1x3b n ASN 136 Ca 0.28 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.41 1x3b n ASN 136 Cb 0.99 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.13 1x3b n ASN 136 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x3b s VAL 137 N -2.00 3.42 0.71 2.41 1.01 -1.26 -4.70 120.40 119.99 1x3b s VAL 137 Ca 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 1x3b s VAL 137 Cb 0.00 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1x3b s VAL 137 CO 0.00 0.12 1.08 -0.76 0.00 0.00 0.00 175.10 175.54 1x3b s LEU 138 N 0.52 2.93 -0.01 3.92 1.43 -1.26 -5.09 118.68 121.12 1x3b s LEU 138 Ca 0.60 1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 55.00 1x3b s LEU 138 Cb -0.35 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1x3b s LEU 138 CO 0.33 -1.45 0.08 -1.10 0.23 0.00 0.00 176.35 174.44 1x3b s GLN 139 N -5.20 0.24 0.34 1.70 -0.21 -1.26 -5.05 119.66 110.21 1x3b s GLN 139 Ca 0.58 -0.16 -0.27 0.00 0.02 0.00 0.00 55.36 55.54 1x3b s GLN 139 Cb -0.13 0.10 -0.09 0.00 1.00 0.00 0.00 33.01 33.89 1x3b s GLN 139 CO 0.54 -0.05 1.07 -1.25 -2.12 0.00 0.00 175.29 173.48 1x3b s PRO 140 N -0.62 4.42 0.54 2.91 0.04 -1.26 -4.83 135.00 136.20 1x3b s PRO 140 Ca -0.07 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1x3b s PRO 140 Cb -0.04 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1x3b s PRO 140 CO 0.00 0.05 0.00 0.45 0.04 0.00 0.00 177.00 177.55 1x3b n SER 141 N 0.59 -7.10 -4.83 6.66 2.88 -1.26 -4.85 113.62 105.72 1x3b n SER 141 Ca 0.02 1.25 -0.32 0.00 -1.33 0.00 0.00 58.87 58.49 1x3b n SER 141 Cb 0.47 -4.60 0.01 0.00 -0.75 0.00 0.00 64.21 59.34 1x3b n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x3b s GLY 142 N -7.00 1.94 -1.23 0.46 0.00 -1.26 -4.93 107.32 95.30 1x3b s GLY 142 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 1x3b s GLY 142 CO 0.00 0.50 1.86 -1.55 0.00 0.00 0.00 173.10 173.91 1x3b n PRO 143 N -2.27 2.39 -0.21 2.90 -0.04 -1.26 -4.80 135.00 131.71 1x3b n PRO 143 Ca 0.08 -2.80 -0.09 0.00 -0.04 0.00 0.00 63.50 60.64 1x3b n PRO 143 Cb 0.53 -3.55 -0.05 0.00 -0.04 0.00 0.00 33.50 30.39 1x3b n PRO 143 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x3b h SER 144 N 8.40 -1.62 -4.22 3.54 4.64 -1.98 -3.39 113.55 118.93 1x3b h SER 144 Ca 0.36 0.25 -0.49 0.00 -0.47 0.00 0.00 61.79 61.44 1x3b h SER 144 Cb 0.87 0.72 0.07 0.00 -0.31 0.00 0.00 62.40 63.75 1x3b h SER 144 CO 1.42 -0.34 0.38 -0.55 -0.87 0.00 0.00 176.83 176.86 1x3b s SER 145 N -5.17 5.77 0.00 4.97 0.15 -1.26 -5.34 113.70 112.83 1x3b s SER 145 Ca -0.14 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1x3b s SER 145 Cb 0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1x3b s SER 145 CO 0.65 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 174.53