#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 -0.03 -0.08 1.61 0.15 -1.26 -5.14 113.70 108.95 1x3b s SER 2 Ca 0.00 -0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.62 1x3b s SER 2 Cb 0.00 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1x3b s SER 2 CO 0.00 -0.19 0.07 -0.44 1.20 0.00 0.00 173.24 173.87 1x3b s SER 3 N -0.65 1.53 0.00 5.45 0.01 -1.26 -5.11 113.70 113.68 1x3b s SER 3 Ca -0.07 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1x3b s SER 3 Cb -0.04 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1x3b s SER 3 CO 0.01 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1x3b n GLY 4 N 5.28 0.75 3.27 3.44 0.00 -1.26 -5.10 105.19 111.58 1x3b n GLY 4 Ca -0.04 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.11 1x3b n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3b s SER 5 N -3.72 -0.85 -0.29 1.61 0.15 -1.26 -5.14 113.70 104.20 1x3b s SER 5 Ca 0.00 0.98 -0.18 0.00 0.70 0.00 0.00 55.95 57.46 1x3b s SER 5 Cb 0.00 1.89 0.16 0.00 -1.71 0.00 0.00 66.02 66.36 1x3b s SER 5 CO 0.00 -0.25 1.06 -0.44 1.20 0.00 0.00 173.24 174.81 1x3b s SER 6 N 2.78 -0.39 0.00 5.45 0.01 -1.26 -5.17 113.70 115.11 1x3b s SER 6 Ca 0.08 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1x3b s SER 6 Cb -0.14 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1x3b s SER 6 CO -0.18 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x3b n GLY 7 N 3.28 5.67 3.57 3.44 0.00 -1.26 -5.18 105.19 114.71 1x3b n GLY 7 Ca -0.17 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 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 4.62 0.45 -0.18 1.61 1.00 -1.26 -5.14 119.30 120.41 1x3b s MET 8 Ca 0.00 0.97 -0.04 0.00 0.00 0.00 0.00 55.69 56.62 1x3b s MET 8 Cb 0.00 0.40 0.06 0.00 0.00 0.00 0.00 34.83 35.28 1x3b s MET 8 CO 0.00 -0.13 0.06 0.20 0.00 0.00 0.00 175.02 175.15 1x3b s GLY 9 N 2.12 0.54 0.75 -0.03 0.00 -1.26 -5.05 107.32 104.39 1x3b s GLY 9 Ca -0.06 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.01 1x3b s GLY 9 CO -0.18 1.55 0.66 -1.30 0.00 0.00 0.00 173.10 173.83 1x3b n THR 10 N 5.16 1.82 -0.38 0.90 -2.24 -1.26 -3.91 114.28 114.37 1x3b n THR 10 Ca -0.08 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.32 1x3b n THR 10 Cb 0.48 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.62 -0.54 0.30 2.28 3.14 -1.26 0.17 118.33 119.80 1x3b n VAL 11 Ca 0.11 2.31 -0.17 0.00 -2.96 0.00 0.00 64.34 63.63 1x3b n VAL 11 Cb 0.50 -3.01 -0.09 0.00 -1.06 0.00 0.00 33.84 30.18 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 -0.69 -0.58 1.45 2.86 -1.88 -2.82 114.93 113.27 1x3b h MET 12 Ca 0.31 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 58.11 1x3b h MET 12 Cb 0.56 0.16 -0.10 0.00 0.06 0.00 0.00 31.60 32.27 1x3b h MET 12 CO -0.96 -0.46 -0.05 -0.44 1.06 0.00 0.00 176.91 176.06 1x3b h ASP 13 N -0.73 -0.35 -1.31 1.22 5.19 -1.03 0.66 116.42 120.08 1x3b h ASP 13 Ca -0.07 0.15 0.40 0.00 -0.62 0.00 0.00 57.03 56.88 1x3b h ASP 13 Cb 0.55 0.29 -0.10 0.00 0.18 0.00 0.00 39.33 40.25 1x3b h ASP 13 CO 0.12 -0.13 0.88 0.58 -3.12 0.00 0.00 179.24 177.56 1x3b h VAL 14 N 0.08 0.25 0.13 -1.35 2.07 0.19 1.82 116.25 119.44 1x3b h VAL 14 Ca 0.29 -0.05 -0.29 0.00 0.82 0.00 0.00 66.70 67.47 1x3b h VAL 14 Cb 0.46 0.11 0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1x3b h VAL 14 CO -0.52 0.02 -1.23 -0.07 0.02 0.00 0.00 177.57 175.79 1x3b h LEU 15 N 0.14 0.85 -0.35 2.57 3.38 0.42 -3.08 115.31 119.24 1x3b h LEU 15 Ca 0.74 -0.84 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1x3b h LEU 15 Cb 2.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.87 1x3b h LEU 15 CO -0.27 1.60 0.06 0.11 0.09 0.00 0.00 178.44 180.03 1x3b h LYS 16 N 0.22 0.58 0.03 1.13 1.57 0.33 -3.23 116.57 117.21 1x3b h LYS 16 Ca -0.19 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1x3b h LYS 16 Cb 1.91 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.12 1x3b h LYS 16 CO 0.24 0.66 -0.35 0.78 -0.57 0.00 0.00 179.45 180.20 1x3b h GLY 17 N 0.42 -1.21 -3.83 3.86 0.00 0.18 -3.41 103.07 99.09 1x3b h GLY 17 Ca 0.11 0.63 -0.52 0.00 0.00 0.00 0.00 47.33 47.54 1x3b h GLY 17 CO 0.01 -0.33 0.62 0.99 0.00 0.00 0.00 176.54 177.82 1x3b s ASP 18 N -3.95 6.79 0.06 0.19 1.01 -1.16 -4.93 116.67 114.68 1x3b s ASP 18 Ca -0.11 2.63 -0.08 0.00 0.71 0.00 0.00 52.55 55.70 1x3b s ASP 18 Cb 0.04 -2.65 -0.31 0.00 1.01 0.00 0.00 42.92 41.02 1x3b s ASP 18 CO 0.40 -0.51 1.09 -1.13 0.21 0.00 0.00 175.17 175.23 1x3b h ASN 19 N 3.36 0.57 -1.35 0.27 -1.24 -1.81 -3.23 115.58 112.15 1x3b h ASN 19 Ca -0.49 -0.61 0.39 0.00 0.71 0.00 0.00 56.30 56.30 1x3b h ASN 19 Cb 1.23 -0.19 -0.06 0.00 0.73 0.00 0.00 38.32 40.03 1x3b h ASN 19 CO 0.65 1.48 0.96 0.03 -1.29 0.00 0.00 177.43 179.27 1x3b h ARG 20 N 0.10 0.03 -1.82 6.67 3.08 -1.91 0.22 114.38 120.74 1x3b h ARG 20 Ca -0.18 -0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.26 1x3b h ARG 20 Cb 2.04 -0.01 -0.40 0.00 0.08 0.00 0.00 29.97 31.69 1x3b h ARG 20 CO 0.23 0.02 -0.47 1.19 -1.07 0.00 0.00 179.97 179.87 1x3b n PHE 21 N -4.18 3.54 -0.01 3.04 3.72 -1.22 -3.83 117.46 118.53 1x3b n PHE 21 Ca 0.30 -3.28 -0.00 0.00 -0.05 0.00 0.00 57.45 54.41 1x3b n PHE 21 Cb 1.40 -0.35 -0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 2.81 0.00 -0.98 4.37 4.64 -0.69 -3.34 113.55 120.36 1x3b h SER 22 Ca 0.28 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.94 1x3b h SER 22 Cb 0.69 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.61 1x3b h SER 22 CO 0.91 0.08 0.30 0.24 -0.87 0.00 0.00 176.83 177.48 1x3b h MET 23 N -0.11 0.05 -0.15 4.77 2.86 -1.87 0.38 114.93 120.86 1x3b h MET 23 Ca 0.00 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1x3b h MET 23 Cb 0.05 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 1x3b h MET 23 CO 0.00 0.03 -0.46 1.25 1.06 0.00 0.00 176.91 178.80 1x3b h LEU 24 N 0.05 -1.45 -0.86 1.22 5.85 -1.91 -0.34 115.31 117.88 1x3b h LEU 24 Ca 0.71 0.19 0.16 0.00 0.84 0.00 0.00 57.88 59.77 1x3b h LEU 24 Cb 1.66 0.58 -0.16 0.00 0.37 0.00 0.00 40.66 43.12 1x3b h LEU 24 CO -0.81 -0.44 -0.27 0.58 -0.34 0.00 0.00 178.44 177.16 1x3b h VAL 25 N -0.51 0.11 -0.87 1.05 2.07 -0.36 1.04 116.25 118.78 1x3b h VAL 25 Ca 0.07 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.81 1x3b h VAL 25 Cb 0.64 0.11 -0.15 0.00 -1.52 0.00 0.00 31.29 30.37 1x3b h VAL 25 CO -0.42 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.26 1x3b h ALA 26 N 1.66 1.07 -0.48 1.67 0.00 -0.86 1.60 119.26 123.92 1x3b h ALA 26 Ca 0.38 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.57 1x3b h ALA 26 Cb 0.62 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1x3b h ALA 26 CO -0.89 -0.48 0.31 0.00 0.00 0.00 0.00 179.25 178.19 1x3b h ALA 27 N 1.82 0.61 0.04 0.00 0.00 0.15 0.36 119.26 122.23 1x3b h ALA 27 Ca 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1x3b h ALA 27 Cb 1.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x3b h ALA 27 CO -0.74 0.04 -0.02 0.82 0.00 0.00 0.00 179.25 179.35 1x3b h ILE 28 N 0.63 1.14 -0.62 0.00 2.04 0.18 0.66 117.51 121.54 1x3b h ILE 28 Ca 0.18 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.57 1x3b h ILE 28 Cb -0.05 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1x3b h ILE 28 CO -0.05 0.14 0.22 -0.61 0.00 0.00 0.00 178.15 177.86 1x3b h GLN 29 N -0.30 0.39 -0.20 2.37 -0.00 0.22 0.86 115.11 118.45 1x3b h GLN 29 Ca -0.01 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.55 1x3b h GLN 29 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.66 1x3b h GLN 29 CO 0.01 0.26 -0.15 1.03 0.00 0.00 0.00 178.83 179.98 1x3b h SER 30 N 0.40 0.47 0.13 -0.69 0.87 -0.14 -2.68 113.55 111.91 1x3b h SER 30 Ca 0.31 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1x3b h SER 30 Cb 0.40 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1x3b h SER 30 CO -0.32 0.82 -0.05 0.00 -0.53 0.00 0.00 176.83 176.75 1x3b h ALA 31 N 0.67 1.47 -2.35 6.23 0.00 0.12 -3.46 119.26 121.94 1x3b h ALA 31 Ca 0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1x3b h ALA 31 Cb 0.67 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.48 1x3b h ALA 31 CO 0.04 0.06 -0.17 0.41 0.00 0.00 0.00 179.25 179.59 1x3b n GLY 32 N -1.11 0.50 0.03 0.00 0.00 0.29 -4.85 105.19 100.06 1x3b n GLY 32 Ca -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.61 0.00 -0.38 0.99 4.77 -0.74 -4.56 117.00 115.47 1x3b n LEU 33 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1x3b n LEU 33 Cb 0.52 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1x3b n LEU 33 CO 0.15 0.13 0.54 0.74 -1.33 0.00 0.00 177.39 177.62 1x3b h THR 34 N 0.00 0.01 -0.21 -5.08 2.02 -1.90 0.33 112.91 108.08 1x3b h THR 34 Ca -0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1x3b h THR 34 Cb 1.17 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1x3b h THR 34 CO 0.01 0.00 -0.43 -0.33 0.37 0.00 0.00 175.52 175.14 1x3b h GLU 35 N -0.02 -0.43 -0.86 6.66 4.39 -1.93 1.04 114.58 123.41 1x3b h GLU 35 Ca 0.26 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.18 1x3b h GLU 35 Cb 0.52 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 1x3b h GLU 35 CO -0.94 -0.29 0.58 1.15 -1.16 0.00 0.00 179.01 178.35 1x3b h THR 36 N -0.45 0.70 -0.43 1.13 2.02 -0.98 1.60 112.91 116.51 1x3b h THR 36 Ca 0.09 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1x3b h THR 36 Cb 0.61 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1x3b h THR 36 CO -0.45 0.07 0.00 0.18 0.37 0.00 0.00 175.52 175.69 1x3b n LEU 37 N -4.49 2.58 -0.01 2.58 4.77 0.86 -3.60 117.00 119.69 1x3b n LEU 37 Ca 0.18 -1.23 0.06 0.00 -0.03 0.00 0.00 56.01 54.99 1x3b n LEU 37 Cb 0.67 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 1x3b n LEU 37 CO 0.32 0.62 -0.59 -3.20 -1.33 0.00 0.00 177.39 173.20 1x3b n ASN 38 N 0.91 1.98 -4.83 -1.43 2.85 0.53 -4.29 115.26 110.97 1x3b n ASN 38 Ca 0.17 -0.08 -0.35 0.00 -0.11 0.00 0.00 54.58 54.21 1x3b n ASN 38 Cb 0.43 1.52 -0.06 0.00 1.24 0.00 0.00 39.78 42.90 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 -2.80 4.11 0.41 1.20 1.70 0.17 -5.02 118.95 118.71 1x3b s ARG 39 Ca -0.04 0.69 -0.25 0.00 -0.47 0.00 0.00 55.73 55.66 1x3b s ARG 39 Cb 0.08 -2.80 -0.11 0.00 -0.57 0.00 0.00 34.95 31.55 1x3b s ARG 39 CO 0.52 0.37 1.13 0.39 -1.08 0.00 0.00 175.30 176.63 1x3b n GLU 40 N 0.51 1.61 0.00 3.89 1.02 -1.26 -4.76 120.64 121.65 1x3b n GLU 40 Ca -0.02 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1x3b n GLU 40 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 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 1.02 -0.29 3.62 0.62 0.00 -1.26 -5.12 105.19 103.78 1x3b n GLY 41 Ca 0.08 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 1x3b n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x3b s VAL 42 N -1.04 -0.00 -0.25 1.61 -7.23 -1.25 -4.31 120.40 107.93 1x3b s VAL 42 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.09 1x3b s VAL 42 Cb 0.00 -0.98 0.11 0.00 0.56 0.00 0.00 36.38 36.07 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 1.54 -1.09 -0.63 2.82 2.02 -1.26 -4.19 117.35 116.56 1x3b s TYR 43 Ca -0.09 1.95 -0.22 0.00 -0.37 0.00 0.00 57.07 58.34 1x3b s TYR 43 Cb -0.05 0.57 0.08 0.00 -0.40 0.00 0.00 41.96 42.15 1x3b s TYR 43 CO -0.18 -0.58 0.88 0.99 -1.57 0.00 0.00 175.55 175.09 1x3b s THR 44 N 2.76 4.48 0.17 -0.71 2.01 -1.22 -3.62 115.64 119.52 1x3b s THR 44 Ca -0.04 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1x3b s THR 44 Cb -0.12 -4.61 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1x3b s THR 44 CO -0.16 -1.32 0.24 -0.69 -0.69 0.00 0.00 174.62 172.00 1x3b s VAL 45 N 3.65 4.98 -0.23 3.82 1.01 -1.23 0.04 120.40 132.44 1x3b s VAL 45 Ca 0.20 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1x3b s VAL 45 Cb -0.18 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.67 1x3b s VAL 45 CO 0.10 -0.15 -0.01 -0.36 0.00 0.00 0.00 175.10 174.68 1x3b s PHE 46 N -1.80 1.91 -0.29 5.22 0.08 -1.03 -2.20 117.98 119.86 1x3b s PHE 46 Ca 0.33 -1.46 -0.09 0.00 0.12 0.00 0.00 56.93 55.83 1x3b s PHE 46 Cb -0.10 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 1x3b s PHE 46 CO 0.27 -0.72 0.13 0.00 -0.10 0.00 0.00 175.22 174.80 1x3b s ALA 47 N 1.56 3.29 1.09 5.36 0.00 -1.24 -4.81 121.76 127.00 1x3b s ALA 47 Ca -0.03 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 1x3b s ALA 47 Cb -0.18 -2.31 0.19 0.00 0.00 0.00 0.00 23.12 20.82 1x3b s ALA 47 CO -0.08 -0.71 0.89 -0.35 0.00 0.00 0.00 175.76 175.51 1x3b n PRO 48 N 4.98 -1.75 -0.84 0.00 -0.04 -1.26 -1.27 135.00 134.82 1x3b n PRO 48 Ca -0.15 -1.40 -0.06 0.00 -0.04 0.00 0.00 63.50 61.86 1x3b n PRO 48 Cb 0.50 -1.10 0.03 0.00 -0.04 0.00 0.00 33.50 32.90 1x3b n PRO 48 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x3b n THR 49 N -3.79 0.00 -0.02 0.52 -2.24 -1.01 -4.68 114.28 103.07 1x3b n THR 49 Ca 0.12 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1x3b n THR 49 Cb 0.43 -1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 1x3b n THR 49 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1x3b h ASN 50 N -0.23 -0.05 -0.02 3.42 4.21 -1.95 -3.16 115.58 117.81 1x3b h ASN 50 Ca -0.08 -0.63 0.00 0.00 1.21 0.00 0.00 56.30 56.80 1x3b h ASN 50 Cb 0.28 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1x3b h ASN 50 CO 0.08 0.67 0.05 -0.33 -1.29 0.00 0.00 177.43 176.60 1x3b h GLU 51 N -0.83 0.00 0.44 0.81 5.08 -1.96 -1.99 114.58 116.13 1x3b h GLU 51 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1x3b h GLU 51 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1x3b h GLU 51 CO 0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 179.01 177.76 1x3b h ALA 52 N 1.92 -0.67 -0.10 3.43 0.00 -1.86 -2.05 119.26 119.93 1x3b h ALA 52 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1x3b h ALA 52 Cb 0.10 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x3b h ALA 52 CO -0.00 -0.89 0.05 0.74 0.00 0.00 0.00 179.25 179.15 1x3b h PHE 53 N -0.67 0.15 -0.28 0.00 -1.00 -1.44 -1.88 116.94 111.82 1x3b h PHE 53 Ca -0.05 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.80 1x3b h PHE 53 Cb 0.54 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1x3b h PHE 53 CO -0.09 0.23 0.60 0.00 -1.61 0.00 0.00 178.31 177.44 1x3b h ARG 54 N 0.03 0.00 -0.03 1.51 3.08 -1.35 1.16 114.38 118.77 1x3b h ARG 54 Ca 0.03 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 1x3b h ARG 54 Cb 0.13 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.20 1x3b h ARG 54 CO -0.00 0.00 -0.98 0.00 -1.07 0.00 0.00 179.97 177.91 1x3b h ALA 55 N 1.06 0.18 -2.06 0.04 0.00 -0.59 -3.45 119.26 114.43 1x3b h ALA 55 Ca 0.13 -0.68 -0.60 0.00 0.00 0.00 0.00 54.91 53.76 1x3b h ALA 55 Cb 1.33 0.04 0.12 0.00 0.00 0.00 0.00 17.79 19.29 1x3b h ALA 55 CO -0.00 0.69 -0.02 1.28 0.00 0.00 0.00 179.25 181.19 1x3b n LEU 56 N -3.87 1.44 -4.78 0.00 4.77 0.40 -4.95 117.00 110.01 1x3b n LEU 56 Ca -0.10 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.66 1x3b n LEU 56 Cb 0.85 -1.25 0.16 0.00 -2.33 0.00 0.00 43.42 40.86 1x3b n LEU 56 CO 0.55 -1.87 0.73 -2.16 -1.33 0.00 0.00 177.39 173.32 1x3b s PRO 57 N -1.67 0.62 0.00 3.23 0.04 -1.26 -4.84 135.00 131.12 1x3b s PRO 57 Ca 0.61 0.09 0.23 0.00 0.04 0.00 0.00 61.00 61.97 1x3b s PRO 57 Cb -0.65 -1.80 1.11 0.00 0.04 0.00 0.00 34.50 33.21 1x3b s PRO 57 CO 0.58 -2.51 1.74 -0.35 0.04 0.00 0.00 177.00 176.50 1x3b n PRO 58 N -3.94 0.27 -0.06 0.56 -0.04 -1.26 -1.28 135.00 129.23 1x3b n PRO 58 Ca 0.09 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 1x3b n PRO 58 Cb 0.59 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.32 0.68 0.19 0.54 0.63 -1.26 -3.91 116.66 112.21 1x3b n ARG 59 Ca 0.10 0.29 0.12 0.00 -0.92 0.00 0.00 57.85 57.45 1x3b n ARG 59 Cb 0.19 -1.65 0.25 0.00 0.45 0.00 0.00 32.46 31.71 1x3b n ARG 59 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1x3b h GLU 60 N -0.26 0.00 0.00 -0.14 5.08 -1.91 -2.95 114.58 114.40 1x3b h GLU 60 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1x3b h GLU 60 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1x3b h GLU 60 CO -0.07 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.81 1x3b n ARG 61 N -2.86 0.00 0.33 2.33 0.63 -0.41 -2.58 116.66 114.11 1x3b n ARG 61 Ca 0.04 0.26 0.17 0.00 -0.92 0.00 0.00 57.85 57.41 1x3b n ARG 61 Cb 0.49 -1.04 0.92 0.00 0.45 0.00 0.00 32.46 33.29 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 -0.16 6.15 0.02 -1.72 0.62 113.55 118.45 1x3b h SER 62 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1x3b h SER 62 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1x3b h SER 62 CO 0.00 0.00 0.06 0.03 -1.14 0.00 0.00 176.83 175.78 1x3b h ARG 63 N 0.00 0.25 0.03 3.45 2.47 -1.52 0.44 114.38 119.50 1x3b h ARG 63 Ca 0.00 -0.05 -0.28 0.00 -1.26 0.00 0.00 59.98 58.40 1x3b h ARG 63 Cb 0.48 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 1x3b h ARG 63 CO 0.00 0.34 -1.51 1.28 0.56 0.00 0.00 179.97 180.64 1x3b n LEU 64 N -4.85 2.06 0.24 3.04 4.77 -0.02 -1.77 117.00 120.48 1x3b n LEU 64 Ca -0.05 0.36 0.17 0.00 -0.03 0.00 0.00 56.01 56.46 1x3b n LEU 64 Cb 0.13 -1.00 0.86 0.00 -2.33 0.00 0.00 43.42 41.08 1x3b n LEU 64 CO 0.35 0.44 1.00 -0.07 -1.33 0.00 0.00 177.39 177.77 1x3b h LEU 65 N -0.73 0.00 0.00 2.23 3.38 0.04 -3.33 115.31 116.90 1x3b h LEU 65 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1x3b h LEU 65 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1x3b h LEU 65 CO -0.15 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1x3b n GLY 66 N -1.02 -0.36 3.69 0.83 0.00 0.15 -4.95 105.19 103.53 1x3b n GLY 66 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1x3b n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x3b s ASP 67 N -0.86 6.45 -0.03 1.61 2.15 -0.73 -4.88 116.67 120.38 1x3b s ASP 67 Ca 0.00 2.72 -0.18 0.00 0.43 0.00 0.00 52.55 55.52 1x3b s ASP 67 Cb 0.00 -2.57 -0.32 0.00 -0.30 0.00 0.00 42.92 39.73 1x3b s ASP 67 CO 0.00 -0.99 0.86 0.00 -0.17 0.00 0.00 175.17 174.87 1x3b h ALA 68 N 8.57 -0.06 -0.23 3.66 0.00 -1.84 -2.90 119.26 126.45 1x3b h ALA 68 Ca -0.46 -0.84 0.03 0.00 0.00 0.00 0.00 54.91 53.64 1x3b h ALA 68 Cb 1.22 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1x3b h ALA 68 CO 0.95 0.60 -0.45 0.87 0.00 0.00 0.00 179.25 181.22 1x3b h LYS 69 N -0.15 -0.37 -0.05 0.00 1.79 -1.94 0.39 116.57 116.23 1x3b h LYS 69 Ca -0.22 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1x3b h LYS 69 Cb 1.87 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 32.60 1x3b h LYS 69 CO 0.18 -0.25 0.04 0.93 -1.08 0.00 0.00 179.45 179.27 1x3b h GLU 70 N -0.39 0.00 0.07 3.15 5.08 -1.89 -1.67 114.58 118.93 1x3b h GLU 70 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1x3b h GLU 70 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x3b h GLU 70 CO -0.42 0.00 -0.04 1.25 -1.00 0.00 0.00 179.01 178.79 1x3b h LEU 71 N 0.00 -0.11 -0.98 1.33 6.46 -0.11 -1.22 115.31 120.68 1x3b h LEU 71 Ca 0.03 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 58.00 1x3b h LEU 71 Cb 0.11 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 39.96 1x3b h LEU 71 CO -0.00 -0.07 0.56 0.00 -0.62 0.00 0.00 178.44 178.32 1x3b h ALA 72 N -1.80 1.65 -0.67 1.25 0.00 -0.77 0.32 119.26 119.23 1x3b h ALA 72 Ca -0.01 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1x3b h ALA 72 Cb 0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 1x3b h ALA 72 CO 0.01 -0.17 0.04 -0.97 0.00 0.00 0.00 179.25 178.16 1x3b h ASN 73 N 0.64 -0.23 0.19 0.00 -0.73 -0.97 1.50 115.58 115.98 1x3b h ASN 73 Ca 0.59 0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.92 1x3b h ASN 73 Cb 1.02 0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.89 1x3b h ASN 73 CO -0.43 -0.11 -0.09 0.40 -0.37 0.00 0.00 177.43 176.82 1x3b h ILE 74 N 0.15 0.91 -0.72 2.57 1.08 0.78 -2.67 117.51 119.60 1x3b h ILE 74 Ca 0.36 -0.85 0.16 0.00 -0.39 0.00 0.00 64.86 64.14 1x3b h ILE 74 Cb 0.61 1.39 -0.11 0.00 -3.07 0.00 0.00 36.82 35.64 1x3b h ILE 74 CO -0.56 0.18 0.16 -0.07 -0.69 0.00 0.00 178.15 177.18 1x3b h LEU 75 N -0.69 -0.02 -0.11 1.44 3.38 0.07 0.16 115.31 119.55 1x3b h LEU 75 Ca -0.03 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1x3b h LEU 75 Cb 0.49 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1x3b h LEU 75 CO 0.04 -0.05 -0.32 0.11 0.09 0.00 0.00 178.44 178.31 1x3b h LYS 76 N 0.25 -0.40 0.00 1.13 1.57 0.21 0.54 116.57 119.88 1x3b h LYS 76 Ca 0.41 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1x3b h LYS 76 Cb 0.69 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1x3b h LYS 76 CO -0.51 -0.26 0.00 -0.92 -0.57 0.00 0.00 179.45 177.18 1x3b h TYR 77 N -0.41 0.00 0.00 -1.35 3.20 -0.62 0.95 116.97 118.74 1x3b h TYR 77 Ca 0.09 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 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 -0.40 0.00 -0.82 0.45 -1.64 0.00 0.00 178.16 175.76 1x3b h HIS 78 N 0.00 0.00 -2.84 -3.82 3.86 0.26 -3.46 115.15 109.15 1x3b h HIS 78 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 1x3b h HIS 78 Cb 0.14 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 1x3b h HIS 78 CO 0.00 0.01 -0.51 0.42 0.86 0.00 0.00 177.93 178.71 1x3b s ILE 79 N -3.33 5.20 0.41 2.45 1.01 0.70 -2.48 121.20 125.17 1x3b s ILE 79 Ca 0.01 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1x3b s ILE 79 Cb 0.09 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1x3b s ILE 79 CO 0.77 0.06 0.21 -0.83 0.00 0.00 0.00 174.94 175.15 1x3b s GLY 80 N -2.72 2.29 -0.05 6.18 0.00 0.11 -3.56 107.32 109.56 1x3b s GLY 80 Ca 0.34 -2.06 0.21 0.00 0.00 0.00 0.00 44.72 43.20 1x3b s GLY 80 CO 0.27 -1.87 1.58 1.22 0.00 0.00 0.00 173.10 174.29 1x3b n ASP 81 N -1.28 4.30 -3.64 1.64 8.00 -0.65 -3.40 116.55 121.52 1x3b n ASP 81 Ca -0.00 -2.20 -0.06 0.00 0.71 0.00 0.00 54.79 53.24 1x3b n ASP 81 Cb 0.64 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x3b s GLU 82 N -1.37 1.05 -0.16 -1.24 -1.05 -1.26 -4.88 118.70 109.79 1x3b s GLU 82 Ca 0.50 -0.51 -0.20 0.00 -0.15 0.00 0.00 54.97 54.61 1x3b s GLU 82 Cb 0.29 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.35 1x3b s GLU 82 CO 0.29 -0.47 0.56 0.42 0.95 0.00 0.00 175.26 177.01 1x3b s ILE 83 N -3.24 5.10 -0.10 1.83 -1.09 -1.26 -3.39 121.20 119.05 1x3b s ILE 83 Ca 0.09 1.08 -0.01 0.00 -2.23 0.00 0.00 60.65 59.58 1x3b s ILE 83 Cb -0.01 -3.89 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1x3b s ILE 83 CO -0.03 0.21 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.62 1x3b s LEU 84 N 1.32 0.99 0.26 2.97 0.20 -1.26 -5.07 118.68 118.09 1x3b s LEU 84 Ca 0.27 -0.24 0.01 0.00 0.69 0.00 0.00 54.13 54.87 1x3b s LEU 84 Cb -0.16 -0.71 -0.04 0.00 -0.43 0.00 0.00 46.19 44.85 1x3b s LEU 84 CO 0.11 -0.15 0.13 0.68 -0.29 0.00 0.00 176.35 176.83 1x3b s VAL 85 N 1.80 0.33 -0.81 1.68 -7.23 -1.26 -4.90 120.40 110.00 1x3b s VAL 85 Ca 0.05 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1x3b s VAL 85 Cb -0.13 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1x3b s VAL 85 CO -0.07 0.00 1.98 -1.54 -0.31 0.00 0.00 175.10 175.16 1x3b n SER 86 N -0.58 4.33 -3.41 4.85 3.41 -1.26 -4.60 113.62 116.35 1x3b n SER 86 Ca 0.01 -2.29 -0.39 0.00 -0.26 0.00 0.00 58.87 55.94 1x3b n SER 86 Cb 0.66 -1.03 0.01 0.00 -0.26 0.00 0.00 64.21 63.59 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 3.81 5.99 2.14 5.00 0.00 -1.26 -4.80 105.19 116.07 1x3b n GLY 87 Ca 0.39 -2.60 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.16 -0.78 0.00 -0.02 0.00 -1.26 -5.06 105.19 97.90 1x3b n GLY 88 Ca 0.46 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.05 0.00 0.00 -0.61 2.08 -1.26 -5.06 119.36 113.46 1x3b n ILE 89 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1x3b n ILE 89 Cb 0.41 -0.06 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 1x3b n ILE 89 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x3b n GLY 90 N 3.05 0.15 1.39 7.39 0.00 -1.26 -5.01 105.19 110.90 1x3b n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.22 4.61 0.00 -1.26 -4.99 120.51 115.65 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 -0.09 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 -5.87 0.93 -0.05 0.00 1.98 -1.26 -3.45 118.68 110.96 1x3b s LEU 92 Ca 0.00 0.14 -0.01 0.00 -2.89 0.00 0.00 54.13 51.37 1x3b s LEU 92 Cb 0.00 1.16 0.03 0.00 0.66 0.00 0.00 46.19 48.04 1x3b s LEU 92 CO 0.00 -0.38 0.01 -0.69 -1.89 0.00 0.00 176.35 173.40 1x3b s VAL 93 N -1.10 0.21 -0.31 1.68 1.01 0.53 -4.94 120.40 117.48 1x3b s VAL 93 Ca -0.12 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 1x3b s VAL 93 Cb -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1x3b s VAL 93 CO 0.03 0.21 0.59 -0.13 0.00 0.00 0.00 175.10 175.80 1x3b s ARG 94 N 1.70 3.87 -0.28 2.72 0.52 -1.26 -0.01 118.95 126.20 1x3b s ARG 94 Ca -0.00 0.20 -0.09 0.00 -0.52 0.00 0.00 55.73 55.33 1x3b s ARG 94 Cb -0.13 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.59 1x3b s ARG 94 CO -0.03 -0.55 0.12 -1.17 0.02 0.00 0.00 175.30 173.68 1x3b s LEU 95 N 2.52 3.82 -0.41 2.53 0.20 -0.05 -4.91 118.68 122.38 1x3b s LEU 95 Ca 0.23 -0.35 -0.29 0.00 0.69 0.00 0.00 54.13 54.41 1x3b s LEU 95 Cb -0.15 -1.98 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 1x3b s LEU 95 CO 0.12 -0.12 1.41 -0.75 -0.29 0.00 0.00 176.35 176.73 1x3b s LYS 96 N 1.62 3.58 0.98 1.98 2.20 -1.26 0.19 119.74 129.03 1x3b s LYS 96 Ca 0.05 0.94 -0.16 0.00 -0.36 0.00 0.00 55.97 56.45 1x3b s LYS 96 Cb -0.16 -4.02 0.20 0.00 -1.51 0.00 0.00 37.83 32.34 1x3b s LYS 96 CO 0.05 -1.56 1.29 0.45 -0.36 0.00 0.00 175.35 175.22 1x3b s SER 97 N 3.93 2.96 -0.12 1.43 0.15 -1.18 -1.64 113.70 119.23 1x3b s SER 97 Ca 0.61 0.35 -0.24 0.00 0.70 0.00 0.00 55.95 57.37 1x3b s SER 97 Cb -0.14 -0.44 -0.27 0.00 -1.71 0.00 0.00 66.02 63.46 1x3b s SER 97 CO 0.32 -2.83 0.71 -0.07 1.20 0.00 0.00 173.24 172.57 1x3b h LEU 98 N -1.71 0.19 -1.50 3.45 3.38 -1.67 -3.30 115.31 114.15 1x3b h LEU 98 Ca -0.45 -0.90 0.46 0.00 0.09 0.00 0.00 57.88 57.08 1x3b h LEU 98 Cb 1.25 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 1x3b h LEU 98 CO 0.40 1.26 0.94 -0.61 0.09 0.00 0.00 178.44 180.52 1x3b h GLN 99 N -0.72 0.05 0.00 1.13 -0.00 -1.86 -3.44 115.11 110.27 1x3b h GLN 99 Ca -0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 1x3b h GLN 99 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.80 1x3b h GLN 99 CO 0.03 0.04 0.00 0.41 0.00 0.00 0.00 178.83 179.30 1x3b n GLY 100 N -1.59 3.80 3.75 2.39 0.00 -1.24 -5.00 105.19 107.30 1x3b n GLY 100 Ca 0.38 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 6.62 -0.06 1.61 1.01 -1.26 -4.69 116.67 119.90 1x3b s ASP 101 Ca 0.00 2.73 -0.30 0.00 0.71 0.00 0.00 52.55 55.70 1x3b s ASP 101 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1x3b s ASP 101 CO 0.00 -0.70 1.07 -0.54 0.21 0.00 0.00 175.17 175.20 1x3b s LYS 102 N -0.86 4.43 0.65 8.23 3.01 -1.26 -3.11 119.74 130.83 1x3b s LYS 102 Ca 0.57 1.49 -0.10 0.00 -1.01 0.00 0.00 55.97 56.92 1x3b s LYS 102 Cb -0.42 -3.52 -0.00 0.00 -1.01 0.00 0.00 37.83 32.87 1x3b s LYS 102 CO 0.48 -0.30 1.03 -0.51 0.51 0.00 0.00 175.35 176.55 1x3b s LEU 103 N 1.85 3.08 -0.06 3.17 1.43 0.51 -4.88 118.68 123.77 1x3b s LEU 103 Ca 0.52 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 1x3b s LEU 103 Cb -0.21 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.02 1x3b s LEU 103 CO 0.21 -1.14 -0.14 -1.61 0.23 0.00 0.00 176.35 173.91 1x3b s GLU 104 N -5.22 1.80 -0.07 1.70 2.02 -1.26 -0.87 118.70 116.80 1x3b s GLU 104 Ca 0.56 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 55.06 1x3b s GLU 104 Cb -0.11 -1.48 0.04 0.00 0.10 0.00 0.00 34.13 32.68 1x3b s GLU 104 CO 0.51 0.06 0.13 0.08 0.02 0.00 0.00 175.26 176.06 1x3b s VAL 105 N 0.56 -0.15 0.37 2.63 1.01 0.98 -1.06 120.40 124.73 1x3b s VAL 105 Ca -0.14 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1x3b s VAL 105 Cb -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1x3b s VAL 105 CO 0.04 0.12 0.10 -0.94 0.00 0.00 0.00 175.10 174.41 1x3b s SER 106 N 1.74 2.52 -0.16 3.32 1.04 -1.07 0.20 113.70 121.30 1x3b s SER 106 Ca -0.02 -1.53 -0.03 0.00 0.48 0.00 0.00 55.95 54.85 1x3b s SER 106 Cb -0.12 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.30 1x3b s SER 106 CO -0.05 -0.79 0.03 -0.22 0.98 0.00 0.00 173.24 173.19 1x3b s LEU 107 N -3.54 0.95 0.02 2.42 2.96 -1.22 -2.15 118.68 118.11 1x3b s LEU 107 Ca 0.29 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1x3b s LEU 107 Cb 0.05 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.20 1x3b s LEU 107 CO 0.15 -0.28 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.10 1x3b s LYS 108 N 1.91 0.36 -1.58 1.98 2.20 -0.02 -4.70 119.74 119.89 1x3b s LYS 108 Ca 0.01 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1x3b s LYS 108 Cb -0.16 -0.20 0.00 0.00 -1.51 0.00 0.00 37.83 35.96 1x3b s LYS 108 CO -0.07 0.04 0.00 0.09 -0.36 0.00 0.00 175.35 175.05 1x3b n ASN 109 N 2.22 -4.64 0.00 1.43 4.13 -1.26 0.17 115.26 117.30 1x3b n ASN 109 Ca -0.18 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1x3b n ASN 109 Cb 0.57 -3.97 0.00 0.00 -1.54 0.00 0.00 39.78 34.84 1x3b n ASN 109 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1x3b n ASN 110 N -0.89 -2.39 -4.75 6.41 2.85 -1.26 -5.01 115.26 110.22 1x3b n ASN 110 Ca -0.15 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 53.98 1x3b n ASN 110 Cb 0.55 -0.61 -0.08 0.00 1.24 0.00 0.00 39.78 40.88 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 -2.40 4.62 0.06 3.44 1.01 0.44 -5.10 120.40 122.46 1x3b s VAL 111 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1x3b s VAL 111 Cb 0.00 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1x3b s VAL 111 CO 0.00 0.48 0.34 -0.69 0.00 0.00 0.00 175.10 175.23 1x3b s VAL 112 N -1.05 5.20 0.06 2.92 1.01 -1.26 -0.84 120.40 126.43 1x3b s VAL 112 Ca 0.18 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1x3b s VAL 112 Cb -0.12 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1x3b s VAL 112 CO 0.08 0.28 -0.07 -0.44 0.00 0.00 0.00 175.10 174.94 1x3b s SER 113 N -1.86 0.92 -0.21 3.32 0.01 -0.92 -2.82 113.70 112.14 1x3b s SER 113 Ca 0.32 -0.67 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 1x3b s SER 113 Cb -0.13 0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.22 1x3b s SER 113 CO 0.19 -0.27 0.09 0.54 0.41 0.00 0.00 173.24 174.19 1x3b s VAL 114 N -1.95 0.06 -0.69 3.43 0.11 -0.31 -2.58 120.40 118.48 1x3b s VAL 114 Ca -0.05 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1x3b s VAL 114 Cb -0.06 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1x3b s VAL 114 CO -0.01 -0.40 0.20 0.59 -3.33 0.00 0.00 175.10 172.15 1x3b n ASN 115 N 5.21 -3.40 -1.77 3.54 3.02 -0.23 -2.64 115.26 119.00 1x3b n ASN 115 Ca -0.07 -0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.26 1x3b n ASN 115 Cb 0.47 -2.40 0.02 0.00 -0.61 0.00 0.00 39.78 37.26 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 -2.07 -2.62 -4.69 3.52 5.02 -1.26 -5.02 118.16 111.03 1x3b n LYS 116 Ca -0.06 0.52 -0.24 0.00 -2.02 0.00 0.00 58.31 56.51 1x3b n LYS 116 Cb 0.56 -4.57 -0.15 0.00 -0.02 0.00 0.00 35.03 30.85 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 -5.13 1.31 0.20 1.97 2.02 -1.08 -5.12 118.70 112.86 1x3b s GLU 117 Ca 0.16 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 1x3b s GLU 117 Cb -0.07 -1.31 -0.08 0.00 0.10 0.00 0.00 34.13 32.77 1x3b s GLU 117 CO 0.19 0.35 1.11 -1.25 0.02 0.00 0.00 175.26 175.68 1x3b s PRO 118 N -0.74 4.59 0.18 0.39 0.04 -1.26 -1.16 135.00 137.05 1x3b s PRO 118 Ca 0.06 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 1x3b s PRO 118 Cb -0.07 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1x3b s PRO 118 CO 0.00 0.08 0.46 0.08 0.04 0.00 0.00 177.00 177.66 1x3b s VAL 119 N -0.40 5.05 -0.05 -0.36 1.01 -1.13 -2.75 120.40 121.78 1x3b s VAL 119 Ca 0.49 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1x3b s VAL 119 Cb -0.30 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1x3b s VAL 119 CO 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 175.10 175.45 1x3b h ALA 120 N 2.71 0.00 -1.98 5.51 0.00 0.30 -3.45 119.26 122.36 1x3b h ALA 120 Ca -0.46 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.00 1x3b h ALA 120 Cb 1.17 0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 1x3b h ALA 120 CO 0.71 0.03 -0.72 -1.21 0.00 0.00 0.00 179.25 178.05 1x3b s GLU 121 N -1.28 0.70 0.91 0.00 2.02 -0.97 -4.99 118.70 115.09 1x3b s GLU 121 Ca -0.01 -1.08 -0.15 0.00 0.02 0.00 0.00 54.97 53.75 1x3b s GLU 121 Cb 0.00 -0.81 0.22 0.00 0.10 0.00 0.00 34.13 33.64 1x3b s GLU 121 CO 0.01 -1.23 1.00 -0.35 0.02 0.00 0.00 175.26 174.71 1x3b n PRO 122 N 3.94 -1.91 -2.90 0.39 -0.04 -1.26 -3.03 135.00 130.19 1x3b n PRO 122 Ca 0.14 -1.57 -0.05 0.00 -0.04 0.00 0.00 63.50 61.98 1x3b n PRO 122 Cb 0.46 -1.24 0.02 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.12 -6.56 -4.06 3.54 8.00 -1.23 -4.92 116.55 107.20 1x3b n ASP 123 Ca 0.13 -0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.00 1x3b n ASP 123 Cb 0.48 -4.62 -0.11 0.00 -0.02 0.00 0.00 41.12 36.84 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 -3.14 3.29 0.21 0.53 1.01 -0.47 -4.98 121.20 117.65 1x3b s ILE 124 Ca 0.16 -2.89 -0.32 0.00 0.00 0.00 0.00 60.65 57.60 1x3b s ILE 124 Cb -0.02 -3.20 -0.12 0.00 0.01 0.00 0.00 42.46 39.13 1x3b s ILE 124 CO 0.64 -0.82 1.71 -0.04 0.00 0.00 0.00 174.94 176.43 1x3b s MET 125 N 0.10 4.13 0.00 2.79 -1.94 -1.26 -1.59 119.30 121.53 1x3b s MET 125 Ca 0.15 2.59 0.00 0.00 -1.71 0.00 0.00 55.69 56.73 1x3b s MET 125 Cb -0.22 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.54 1x3b s MET 125 CO -0.03 -0.74 0.00 0.00 -0.01 0.00 0.00 175.02 174.24 1x3b n ALA 126 N 3.98 0.00 0.99 3.03 0.00 -0.47 -4.94 120.51 123.10 1x3b n ALA 126 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1x3b n ALA 126 Cb 0.35 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.24 0.00 -2.63 0.00 -2.24 -1.25 -4.51 114.28 103.41 1x3b n THR 127 Ca 0.00 -0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1x3b n THR 127 Cb 0.00 0.51 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.51 -1.10 0.00 3.42 6.94 -1.26 -5.01 115.26 116.74 1x3b n ASN 128 Ca 0.05 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.83 1x3b n ASN 128 Cb 0.34 0.70 0.00 0.00 -2.36 0.00 0.00 39.78 38.46 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 -0.63 -0.82 3.25 4.83 0.00 -1.26 -3.80 105.19 106.75 1x3b n GLY 129 Ca -0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 0.26 -0.06 1.61 0.11 -1.24 -1.37 120.40 116.71 1x3b s VAL 130 Ca 0.00 -1.99 -0.13 0.00 -2.93 0.00 0.00 61.98 56.93 1x3b s VAL 130 Cb 0.00 -2.52 0.02 0.00 -1.53 0.00 0.00 36.38 32.35 1x3b s VAL 130 CO 0.00 -0.04 0.30 -0.69 -3.33 0.00 0.00 175.10 171.34 1x3b s VAL 131 N -3.97 0.04 -0.32 2.04 1.01 -0.62 -3.52 120.40 115.06 1x3b s VAL 131 Ca 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1x3b s VAL 131 Cb 0.07 -0.54 0.11 0.00 0.00 0.00 0.00 36.38 36.02 1x3b s VAL 131 CO 0.12 -0.16 0.14 -1.00 0.00 0.00 0.00 175.10 174.19 1x3b s HIS 132 N -0.73 0.98 0.13 5.22 3.76 -0.94 -1.37 115.29 122.34 1x3b s HIS 132 Ca -0.08 -1.40 -0.33 0.00 -0.15 0.00 0.00 55.06 53.10 1x3b s HIS 132 Cb -0.04 -1.26 -0.13 0.00 1.11 0.00 0.00 32.58 32.26 1x3b s HIS 132 CO 0.03 -0.84 1.71 0.28 -0.85 0.00 0.00 174.74 175.06 1x3b n VAL 133 N 4.82 0.16 -3.46 -0.90 0.31 -1.17 -3.73 118.33 114.37 1x3b n VAL 133 Ca -0.01 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 64.08 1x3b n VAL 133 Cb 0.41 -1.80 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 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 1.81 2.58 -0.28 2.52 -4.36 -0.40 0.25 121.20 123.32 1x3b s ILE 134 Ca 0.81 -1.27 0.08 0.00 -0.26 0.00 0.00 60.65 60.00 1x3b s ILE 134 Cb -0.60 -2.85 0.45 0.00 1.25 0.00 0.00 42.46 40.70 1x3b s ILE 134 CO 0.38 0.00 1.27 0.35 0.24 0.00 0.00 174.94 177.18 1x3b n THR 135 N -1.67 2.47 0.00 8.37 -2.24 -1.11 -2.41 114.28 117.69 1x3b n THR 135 Ca 0.05 -3.65 0.00 0.00 -2.27 0.00 0.00 64.05 58.18 1x3b n THR 135 Cb 0.62 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.92 0.00 -4.59 3.42 3.02 -1.26 -4.82 115.26 110.12 1x3b n ASN 136 Ca 0.35 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 1x3b n ASN 136 Cb 0.86 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 40.01 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 4.00 0.86 2.41 1.01 -1.26 -4.69 120.40 120.72 1x3b s VAL 137 Ca 0.00 0.93 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 1x3b s VAL 137 Cb 0.00 -4.60 0.07 0.00 0.00 0.00 0.00 36.38 31.85 1x3b s VAL 137 CO 0.00 -1.19 0.89 0.18 0.00 0.00 0.00 175.10 174.98 1x3b n LEU 138 N 8.58 2.46 -3.97 3.92 4.77 -1.26 -5.03 117.00 126.47 1x3b n LEU 138 Ca 0.11 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.48 1x3b n LEU 138 Cb 0.49 -1.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 1x3b n LEU 138 CO 0.71 -2.51 -0.32 -1.10 -1.33 0.00 0.00 177.39 172.85 1x3b s GLN 139 N -3.93 0.39 0.82 3.23 -0.21 -1.26 -5.07 119.66 113.63 1x3b s GLN 139 Ca 0.66 -0.66 -0.12 0.00 0.02 0.00 0.00 55.36 55.27 1x3b s GLN 139 Cb -0.26 0.15 0.08 0.00 1.00 0.00 0.00 33.01 33.97 1x3b s GLN 139 CO 0.58 -0.08 1.10 -1.25 -2.12 0.00 0.00 175.29 173.53 1x3b s PRO 140 N -1.83 1.93 -0.00 2.91 0.04 -1.26 -5.03 135.00 131.75 1x3b s PRO 140 Ca -0.12 0.58 -0.00 0.00 0.04 0.00 0.00 61.00 61.50 1x3b s PRO 140 Cb -0.07 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1x3b s PRO 140 CO -0.02 -1.72 0.21 0.66 0.04 0.00 0.00 177.00 176.17 1x3b h SER 141 N -1.16 -0.01 -2.76 6.66 4.64 -2.01 -3.50 113.55 115.40 1x3b h SER 141 Ca -0.48 0.00 0.32 0.00 -0.47 0.00 0.00 61.79 61.17 1x3b h SER 141 Cb 1.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.28 1x3b h SER 141 CO 0.60 0.01 -0.53 0.61 -0.87 0.00 0.00 176.83 176.65 1x3b n GLY 142 N 1.38 -1.74 3.16 -0.77 0.00 -1.26 -3.96 105.19 102.01 1x3b n GLY 142 Ca -0.00 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 1x3b n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3b n PRO 143 N -3.70 2.25 -2.79 1.61 -0.04 -1.26 -4.53 135.00 126.54 1x3b n PRO 143 Ca -0.00 -2.46 0.03 0.00 -0.04 0.00 0.00 63.50 61.03 1x3b n PRO 143 Cb 0.64 -3.29 0.01 0.00 -0.04 0.00 0.00 33.50 30.82 1x3b n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3b s SER 144 N 4.57 -0.11 -0.39 3.54 0.15 -1.25 -5.10 113.70 115.10 1x3b s SER 144 Ca 0.56 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 1x3b s SER 144 Cb 0.10 0.34 0.20 0.00 -1.71 0.00 0.00 66.02 64.95 1x3b s SER 144 CO 0.05 -0.01 0.98 -0.44 1.20 0.00 0.00 173.24 175.02 1x3b s SER 145 N 2.20 -0.65 0.00 5.45 0.01 -1.26 -4.97 113.70 114.48 1x3b s SER 145 Ca 0.18 -0.73 0.26 0.00 1.31 0.00 0.00 55.95 56.97 1x3b s SER 145 Cb 0.03 0.85 0.71 0.00 0.21 0.00 0.00 66.02 67.82 1x3b s SER 145 CO -0.18 -0.03 1.55 0.61 0.41 0.00 0.00 173.24 175.61