#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3b h SER 2 N 0.00 -0.56 -4.09 1.61 0.87 -2.00 -3.50 113.55 105.87 1x3b h SER 2 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1x3b h SER 2 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1x3b h SER 2 CO 0.00 -0.16 -0.69 -0.24 -0.53 0.00 0.00 176.83 175.21 1x3b n SER 3 N -5.16 -7.15 -1.49 6.23 2.88 -1.26 -5.06 113.62 102.62 1x3b n SER 3 Ca -0.08 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1x3b n SER 3 Cb 0.26 -3.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.96 1x3b n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3b n GLY 4 N 1.01 1.73 2.58 0.46 0.00 -1.26 -5.11 105.19 104.60 1x3b n GLY 4 Ca 0.00 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.00 3.33 -0.30 1.61 1.04 -1.26 -5.08 113.70 112.04 1x3b s SER 5 Ca 0.00 -1.18 -0.17 0.00 0.48 0.00 0.00 55.95 55.08 1x3b s SER 5 Cb 0.00 -0.39 0.18 0.00 0.10 0.00 0.00 66.02 65.91 1x3b s SER 5 CO 0.00 -0.41 1.20 -0.55 0.98 0.00 0.00 173.24 174.45 1x3b s SER 6 N 2.05 -0.20 0.00 7.02 0.15 -1.26 -5.11 113.70 116.35 1x3b s SER 6 Ca 0.07 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1x3b s SER 6 Cb -0.16 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1x3b s SER 6 CO -0.29 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1x3b n GLY 7 N 5.03 1.95 3.65 9.45 0.00 -1.26 -4.68 105.19 119.33 1x3b n GLY 7 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.19 1.61 0.00 -1.26 -5.15 119.30 114.32 1x3b s MET 8 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 55.69 55.65 1x3b s MET 8 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 34.83 34.90 1x3b s MET 8 CO 0.00 -0.00 0.10 0.20 0.00 0.00 0.00 175.02 175.31 1x3b s GLY 9 N 0.51 0.39 0.82 3.16 0.00 -1.26 -5.06 107.32 105.88 1x3b s GLY 9 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 44.72 44.14 1x3b s GLY 9 CO -0.13 1.78 1.08 -1.30 0.00 0.00 0.00 173.10 174.53 1x3b n THR 10 N 5.27 1.72 -0.36 0.90 -2.24 -1.26 -4.08 114.28 114.22 1x3b n THR 10 Ca -0.07 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1x3b n THR 10 Cb 0.48 -1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 67.52 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 -3.31 -0.58 -0.27 2.28 3.14 -1.26 0.18 118.33 118.51 1x3b n VAL 11 Ca 0.13 2.17 0.04 0.00 -2.96 0.00 0.00 64.34 63.71 1x3b n VAL 11 Cb 0.51 -2.69 0.17 0.00 -1.06 0.00 0.00 33.84 30.77 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 0.58 -0.14 1.45 2.86 -1.89 -1.21 114.93 116.58 1x3b h MET 12 Ca 0.14 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1x3b h MET 12 Cb 0.35 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1x3b h MET 12 CO -0.81 0.38 0.07 -0.44 1.06 0.00 0.00 176.91 177.17 1x3b h ASP 13 N 0.59 0.18 -1.09 1.22 3.32 0.71 -0.69 116.42 120.66 1x3b h ASP 13 Ca 0.40 -0.12 0.32 0.00 0.02 0.00 0.00 57.03 57.65 1x3b h ASP 13 Cb 0.50 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1x3b h ASP 13 CO -0.32 0.24 0.94 0.58 -1.72 0.00 0.00 179.24 178.97 1x3b h VAL 14 N 0.10 0.23 0.14 -1.35 2.07 0.31 1.49 116.25 119.24 1x3b h VAL 14 Ca 0.05 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.25 1x3b h VAL 14 Cb 0.11 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1x3b h VAL 14 CO -0.01 0.00 -1.60 -0.07 0.02 0.00 0.00 177.57 175.91 1x3b h LEU 15 N 0.00 0.48 -0.04 2.57 3.38 -0.90 -3.20 115.31 117.59 1x3b h LEU 15 Ca 0.52 -0.90 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1x3b h LEU 15 Cb 2.40 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.99 1x3b h LEU 15 CO -0.01 1.71 0.02 0.11 0.09 0.00 0.00 178.44 180.36 1x3b h LYS 16 N -0.11 0.07 -0.18 1.13 1.57 0.27 -3.13 116.57 116.19 1x3b h LYS 16 Ca -0.33 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1x3b h LYS 16 Cb 1.92 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 34.15 1x3b h LYS 16 CO 0.11 0.22 -0.38 0.78 -0.57 0.00 0.00 179.45 179.61 1x3b h GLY 17 N -0.10 -0.57 -4.39 3.86 0.00 0.13 -3.39 103.07 98.60 1x3b h GLY 17 Ca 0.01 0.48 -0.53 0.00 0.00 0.00 0.00 47.33 47.29 1x3b h GLY 17 CO -0.00 -0.22 0.62 0.99 0.00 0.00 0.00 176.54 177.93 1x3b s ASP 18 N -4.93 6.98 0.12 0.19 1.01 -1.18 -4.92 116.67 113.95 1x3b s ASP 18 Ca -0.15 2.20 -0.08 0.00 0.71 0.00 0.00 52.55 55.24 1x3b s ASP 18 Cb 0.10 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.33 1x3b s ASP 18 CO 0.65 -0.51 1.30 0.78 0.21 0.00 0.00 175.17 177.60 1x3b h ASN 19 N 6.25 0.69 -1.00 0.27 2.35 -1.80 -3.19 115.58 119.15 1x3b h ASN 19 Ca -0.43 -0.52 0.37 0.00 -0.55 0.00 0.00 56.30 55.18 1x3b h ASN 19 Cb 1.21 -0.21 -0.17 0.00 0.05 0.00 0.00 38.32 39.21 1x3b h ASN 19 CO 0.81 1.31 0.52 0.03 -1.65 0.00 0.00 177.43 178.44 1x3b h ARG 20 N 0.33 0.13 -1.80 0.81 3.08 -1.91 0.55 114.38 115.58 1x3b h ARG 20 Ca -0.08 -0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.28 1x3b h ARG 20 Cb 1.53 -0.03 -0.34 0.00 0.08 0.00 0.00 29.97 31.21 1x3b h ARG 20 CO 0.17 0.09 0.20 1.19 -1.07 0.00 0.00 179.97 180.54 1x3b n PHE 21 N -5.19 3.21 -0.06 3.04 3.72 -1.21 -4.15 117.46 116.82 1x3b n PHE 21 Ca 0.34 -2.74 -0.06 0.00 -0.05 0.00 0.00 57.45 54.94 1x3b n PHE 21 Cb 1.13 -0.66 -0.05 0.00 -0.94 0.00 0.00 39.48 38.96 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 2.85 0.00 -0.60 4.37 4.64 0.02 -3.26 113.55 121.56 1x3b h SER 22 Ca 0.43 -0.37 0.12 0.00 -0.47 0.00 0.00 61.79 61.50 1x3b h SER 22 Cb 0.45 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.45 1x3b h SER 22 CO 1.14 0.73 0.07 0.24 -0.87 0.00 0.00 176.83 178.14 1x3b h MET 23 N -1.00 0.18 -0.46 4.77 2.86 -1.84 -0.91 114.93 118.52 1x3b h MET 23 Ca -0.01 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 1x3b h MET 23 Cb 0.43 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.95 1x3b h MET 23 CO -0.01 0.12 -0.29 1.25 1.06 0.00 0.00 176.91 179.05 1x3b h LEU 24 N 0.18 -0.97 -0.48 1.22 5.85 -1.91 -0.14 115.31 119.07 1x3b h LEU 24 Ca 0.32 0.19 0.08 0.00 0.84 0.00 0.00 57.88 59.31 1x3b h LEU 24 Cb 0.50 0.48 -0.10 0.00 0.37 0.00 0.00 40.66 41.91 1x3b h LEU 24 CO -0.46 -0.29 -0.39 0.58 -0.34 0.00 0.00 178.44 177.54 1x3b h VAL 25 N -0.18 0.14 -0.97 1.05 2.07 -1.21 0.61 116.25 117.75 1x3b h VAL 25 Ca 0.20 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.04 1x3b h VAL 25 Cb 0.52 0.14 -0.15 0.00 -1.52 0.00 0.00 31.29 30.27 1x3b h VAL 25 CO -0.57 0.00 0.47 0.00 0.02 0.00 0.00 177.57 177.49 1x3b h ALA 26 N 0.64 1.79 -0.05 1.67 0.00 -0.69 1.69 119.26 124.31 1x3b h ALA 26 Ca 0.17 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1x3b h ALA 26 Cb 0.57 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x3b h ALA 26 CO -0.61 -0.59 0.03 0.00 0.00 0.00 0.00 179.25 178.07 1x3b h ALA 27 N 1.86 0.07 -0.51 0.00 0.00 0.88 0.48 119.26 122.03 1x3b h ALA 27 Ca 0.70 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.50 1x3b h ALA 27 Cb 1.59 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1x3b h ALA 27 CO -0.65 -0.39 0.11 0.82 0.00 0.00 0.00 179.25 179.14 1x3b h ILE 28 N -0.02 1.25 -0.65 0.00 2.04 0.19 0.59 117.51 120.91 1x3b h ILE 28 Ca 0.02 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1x3b h ILE 28 Cb 0.10 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1x3b h ILE 28 CO -0.00 0.32 0.43 -0.61 0.00 0.00 0.00 178.15 178.29 1x3b h GLN 29 N 0.71 0.85 -0.15 2.37 -0.00 0.24 0.46 115.11 119.60 1x3b h GLN 29 Ca 0.16 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.66 1x3b h GLN 29 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 27.65 1x3b h GLN 29 CO 0.01 0.57 -0.27 1.03 0.00 0.00 0.00 178.83 180.16 1x3b h SER 30 N 0.88 0.49 -0.31 -0.69 0.87 0.25 -3.00 113.55 112.04 1x3b h SER 30 Ca 0.24 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1x3b h SER 30 Cb -0.10 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1x3b h SER 30 CO -0.05 0.94 0.20 0.00 -0.53 0.00 0.00 176.83 177.39 1x3b h ALA 31 N 0.56 1.79 -0.75 6.23 0.00 0.49 -3.46 119.26 124.11 1x3b h ALA 31 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x3b h ALA 31 Cb 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1x3b h ALA 31 CO 0.06 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1x3b n GLY 32 N -1.49 0.95 0.02 0.00 0.00 0.15 -4.86 105.19 99.96 1x3b n GLY 32 Ca 0.02 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.38 0.00 -0.22 0.99 4.77 -0.67 -4.50 117.00 116.99 1x3b n LEU 33 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1x3b n LEU 33 Cb 0.40 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1x3b n LEU 33 CO 0.00 0.06 0.55 0.74 -1.33 0.00 0.00 177.39 177.41 1x3b h THR 34 N 0.00 0.05 -0.68 -5.08 2.02 -1.90 -0.82 112.91 106.50 1x3b h THR 34 Ca -0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1x3b h THR 34 Cb 1.09 0.05 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 1x3b h THR 34 CO 0.00 0.00 -0.48 -0.33 0.37 0.00 0.00 175.52 175.08 1x3b h GLU 35 N -0.23 -0.10 -0.38 6.66 4.39 -1.92 1.64 114.58 124.64 1x3b h GLU 35 Ca 0.16 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.93 1x3b h GLU 35 Cb 0.56 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 1x3b h GLU 35 CO -0.71 -0.07 -0.50 1.15 -1.16 0.00 0.00 179.01 177.73 1x3b h THR 36 N -0.10 0.05 0.00 1.13 2.02 -1.50 1.45 112.91 115.96 1x3b h THR 36 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1x3b h THR 36 Cb 0.39 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1x3b h THR 36 CO -0.69 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.38 1x3b n LEU 37 N -5.40 0.32 -1.19 2.58 4.77 -0.22 -0.48 117.00 117.38 1x3b n LEU 37 Ca -0.02 0.62 0.05 0.00 -0.03 0.00 0.00 56.01 56.62 1x3b n LEU 37 Cb 0.35 -0.62 0.22 0.00 -2.33 0.00 0.00 43.42 41.04 1x3b n LEU 37 CO 0.03 -0.61 0.62 0.59 -1.33 0.00 0.00 177.39 176.69 1x3b n ASN 38 N -1.90 3.40 -4.16 -1.43 4.13 0.54 -4.64 115.26 111.21 1x3b n ASN 38 Ca 0.01 -2.42 -0.23 0.00 1.68 0.00 0.00 54.58 53.62 1x3b n ASN 38 Cb 0.09 -0.54 -0.15 0.00 -1.54 0.00 0.00 39.78 37.65 1x3b n ASN 38 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x3b s ARG 39 N -1.88 1.25 0.69 3.52 0.52 0.36 -4.97 118.95 118.44 1x3b s ARG 39 Ca 0.31 -0.66 -0.17 0.00 -0.52 0.00 0.00 55.73 54.69 1x3b s ARG 39 Cb 0.22 -1.24 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 1x3b s ARG 39 CO 0.11 0.33 0.60 0.39 0.02 0.00 0.00 175.30 176.75 1x3b n GLU 40 N 2.43 0.39 0.00 3.54 1.02 -1.26 -4.74 120.64 122.02 1x3b n GLU 40 Ca -0.15 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1x3b n GLU 40 Cb 0.54 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.59 0.40 3.64 0.62 0.00 -1.26 -5.09 105.19 105.10 1x3b n GLY 41 Ca 0.11 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.26 1.61 -7.23 -1.23 -4.36 120.40 108.93 1x3b s VAL 42 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 1x3b s VAL 42 Cb 0.00 -1.00 0.13 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 1.57 -1.16 -0.51 2.82 2.02 -1.26 -4.19 117.35 116.63 1x3b s TYR 43 Ca -0.10 1.79 -0.21 0.00 -0.37 0.00 0.00 57.07 58.18 1x3b s TYR 43 Cb -0.05 0.51 0.05 0.00 -0.40 0.00 0.00 41.96 42.07 1x3b s TYR 43 CO -0.19 -0.66 0.74 0.99 -1.57 0.00 0.00 175.55 174.87 1x3b s THR 44 N 2.76 4.69 0.22 -0.71 2.01 -1.23 -3.65 115.64 119.72 1x3b s THR 44 Ca 0.03 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 61.97 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 -0.89 0.08 -0.69 -0.69 0.00 0.00 174.62 172.25 1x3b s VAL 45 N 3.14 3.98 -0.18 3.82 1.01 -1.24 -0.03 120.40 130.90 1x3b s VAL 45 Ca 0.22 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1x3b s VAL 45 Cb -0.16 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1x3b s VAL 45 CO 0.15 -0.25 -0.03 -0.36 0.00 0.00 0.00 175.10 174.62 1x3b s PHE 46 N -2.01 1.61 -0.29 5.22 0.08 -1.12 -2.12 117.98 119.36 1x3b s PHE 46 Ca 0.31 -1.11 -0.09 0.00 0.12 0.00 0.00 56.93 56.15 1x3b s PHE 46 Cb -0.08 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1x3b s PHE 46 CO 0.22 -0.63 0.12 0.00 -0.10 0.00 0.00 175.22 174.83 1x3b s ALA 47 N 1.66 3.24 1.02 5.36 0.00 -1.24 -4.81 121.76 126.99 1x3b s ALA 47 Ca -0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 1x3b s ALA 47 Cb -0.16 -2.27 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1x3b s ALA 47 CO -0.07 -0.75 0.16 -0.35 0.00 0.00 0.00 175.76 174.75 1x3b n PRO 48 N 4.96 -0.73 -1.22 0.00 -0.04 -1.26 -0.74 135.00 135.97 1x3b n PRO 48 Ca -0.15 -0.26 -0.08 0.00 -0.04 0.00 0.00 63.50 62.98 1x3b n PRO 48 Cb 0.50 -0.20 0.04 0.00 -0.04 0.00 0.00 33.50 33.80 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 -2.53 0.00 0.01 0.52 -2.24 -1.08 -4.71 114.28 104.25 1x3b n THR 49 Ca 0.02 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.12 1x3b n THR 49 Cb 0.08 -1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 66.94 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 -0.21 0.52 0.66 3.42 2.35 -1.95 -3.14 115.58 117.23 1x3b h ASN 50 Ca -0.11 -0.80 -0.00 0.00 -0.55 0.00 0.00 56.30 54.84 1x3b h ASN 50 Cb 0.39 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1x3b h ASN 50 CO 0.11 1.25 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.81 1x3b h GLU 51 N -0.16 0.00 0.27 0.81 4.39 -1.95 -2.75 114.58 115.19 1x3b h GLU 51 Ca -0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1x3b h GLU 51 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1x3b h GLU 51 CO 0.13 0.01 -0.13 0.00 -1.16 0.00 0.00 179.01 177.85 1x3b h ALA 52 N 1.99 -0.37 0.00 3.43 0.00 -1.86 -1.51 119.26 120.94 1x3b h ALA 52 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1x3b h ALA 52 Cb 0.34 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x3b h ALA 52 CO 0.00 -0.69 -0.33 0.74 0.00 0.00 0.00 179.25 178.97 1x3b h PHE 53 N -0.41 0.00 0.00 0.00 -1.00 -1.57 -2.19 116.94 111.77 1x3b h PHE 53 Ca -0.04 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 1x3b h PHE 53 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1x3b h PHE 53 CO -0.05 0.33 -0.21 0.00 -1.61 0.00 0.00 178.31 176.78 1x3b h ARG 54 N 0.00 0.00 -0.38 1.51 3.08 -1.16 -2.22 114.38 115.21 1x3b h ARG 54 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1x3b h ARG 54 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1x3b h ARG 54 CO 0.04 0.21 -0.40 0.00 -1.07 0.00 0.00 179.97 178.75 1x3b h ALA 55 N 1.79 0.56 -1.76 0.04 0.00 -0.63 -3.45 119.26 115.82 1x3b h ALA 55 Ca -0.00 -0.46 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 1x3b h ALA 55 Cb 0.44 -0.12 0.11 0.00 0.00 0.00 0.00 17.79 18.22 1x3b h ALA 55 CO 0.03 0.68 -0.03 1.28 0.00 0.00 0.00 179.25 181.21 1x3b n LEU 56 N -4.05 1.10 -4.80 0.00 4.77 -0.84 -4.94 117.00 108.24 1x3b n LEU 56 Ca -0.02 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.83 1x3b n LEU 56 Cb 0.56 -1.21 0.11 0.00 -2.33 0.00 0.00 43.42 40.54 1x3b n LEU 56 CO 0.49 -1.77 0.71 -2.16 -1.33 0.00 0.00 177.39 173.33 1x3b s PRO 57 N -1.44 1.72 0.00 3.23 0.04 -1.26 -4.85 135.00 132.45 1x3b s PRO 57 Ca 0.60 0.51 0.24 0.00 0.04 0.00 0.00 61.00 62.38 1x3b s PRO 57 Cb -0.75 -1.89 1.43 0.00 0.04 0.00 0.00 34.50 33.33 1x3b s PRO 57 CO 0.59 -1.84 1.80 -0.35 0.04 0.00 0.00 177.00 177.23 1x3b n PRO 58 N -3.56 0.74 -0.06 0.56 -0.04 -1.26 -0.99 135.00 130.39 1x3b n PRO 58 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1x3b n PRO 58 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.00 0.68 0.07 0.54 0.00 -1.26 -4.16 116.66 111.53 1x3b n ARG 59 Ca 0.18 0.28 0.12 0.00 -0.00 0.00 0.00 57.85 58.43 1x3b n ARG 59 Cb 0.08 -1.64 0.14 0.00 0.00 0.00 0.00 32.46 31.04 1x3b n ARG 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1x3b h GLU 60 N -0.23 0.00 0.00 -0.14 4.81 -1.91 -3.31 114.58 113.80 1x3b h GLU 60 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1x3b h GLU 60 Cb 1.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.22 1x3b h GLU 60 CO -0.06 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.09 1x3b n ARG 61 N -2.23 0.00 0.14 1.92 0.63 -0.16 -2.52 116.66 114.44 1x3b n ARG 61 Ca 0.03 0.15 0.18 0.00 -0.92 0.00 0.00 57.85 57.29 1x3b n ARG 61 Cb 0.46 -1.05 0.63 0.00 0.45 0.00 0.00 32.46 32.95 1x3b n ARG 61 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x3b h SER 62 N 0.00 0.00 0.37 6.15 0.87 -1.77 0.12 113.55 119.29 1x3b h SER 62 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 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 -0.24 -0.09 -0.53 0.00 0.00 176.83 175.97 1x3b h ARG 63 N 0.00 -0.56 -0.09 2.24 1.12 -1.63 1.38 114.38 116.85 1x3b h ARG 63 Ca 0.16 0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 59.01 1x3b h ARG 63 Cb 1.38 0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.47 1x3b h ARG 63 CO -0.00 -0.37 -0.16 -0.07 -3.11 0.00 0.00 179.97 176.26 1x3b h LEU 64 N -0.58 0.30 -1.46 3.80 3.38 -0.93 0.78 115.31 120.60 1x3b h LEU 64 Ca -0.05 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1x3b h LEU 64 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1x3b h LEU 64 CO 0.04 0.79 0.00 -0.07 0.09 0.00 0.00 178.44 179.29 1x3b h LEU 65 N -0.18 0.00 0.00 1.67 3.38 -0.85 -3.35 115.31 115.98 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 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1x3b h LEU 65 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1x3b n GLY 66 N -1.11 -0.21 3.74 0.83 0.00 0.47 -4.97 105.19 103.95 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 -0.95 6.42 -0.02 1.61 1.11 0.23 -4.91 116.67 120.16 1x3b s ASP 67 Ca 0.00 2.87 -0.21 0.00 0.18 0.00 0.00 52.55 55.39 1x3b s ASP 67 Cb 0.00 -2.62 -0.26 0.00 1.07 0.00 0.00 42.92 41.10 1x3b s ASP 67 CO 0.00 -0.90 1.01 0.00 1.18 0.00 0.00 175.17 176.46 1x3b h ALA 68 N 5.44 0.01 -0.13 5.23 0.00 -1.84 -3.00 119.26 124.97 1x3b h ALA 68 Ca -0.46 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 53.86 1x3b h ALA 68 Cb 1.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1x3b h ALA 68 CO 0.84 0.32 -0.09 0.87 0.00 0.00 0.00 179.25 181.19 1x3b h LYS 69 N -0.27 -0.01 -0.57 0.00 1.79 -1.94 1.17 116.57 116.74 1x3b h LYS 69 Ca -0.09 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.54 1x3b h LYS 69 Cb 1.39 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.02 1x3b h LYS 69 CO 0.12 -0.01 0.43 0.93 -1.08 0.00 0.00 179.45 179.84 1x3b h GLU 70 N -0.02 0.00 0.00 3.15 3.07 -1.90 0.77 114.58 119.65 1x3b h GLU 70 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1x3b h GLU 70 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1x3b h GLU 70 CO -0.13 0.00 0.00 -0.11 -1.40 0.00 0.00 179.01 177.37 1x3b n LEU 71 N -4.27 0.01 -0.34 1.33 0.00 0.35 -2.19 117.00 111.88 1x3b n LEU 71 Ca 0.11 0.90 0.19 0.00 0.00 0.00 0.00 56.01 57.21 1x3b n LEU 71 Cb 0.66 -0.49 0.42 0.00 0.00 0.00 0.00 43.42 44.00 1x3b n LEU 71 CO 0.36 -0.49 1.18 0.00 0.00 0.00 0.00 177.39 178.43 1x3b h ALA 72 N -2.00 1.91 -0.44 1.96 0.00 0.57 0.15 119.26 121.40 1x3b h ALA 72 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1x3b h ALA 72 Cb 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1x3b h ALA 72 CO 0.00 -0.37 -0.35 -0.97 0.00 0.00 0.00 179.25 177.56 1x3b h ASN 73 N 0.53 -1.17 0.36 0.00 -1.24 -0.78 1.46 115.58 114.74 1x3b h ASN 73 Ca 0.64 0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.83 1x3b h ASN 73 Cb 1.31 0.55 0.00 0.00 0.73 0.00 0.00 38.32 40.91 1x3b h ASN 73 CO -0.43 -0.33 -0.17 0.40 -1.29 0.00 0.00 177.43 175.61 1x3b h ILE 74 N -0.25 0.66 -0.77 2.57 1.08 -0.25 -2.07 117.51 118.49 1x3b h ILE 74 Ca 0.18 -0.09 0.17 0.00 -0.39 0.00 0.00 64.86 64.73 1x3b h ILE 74 Cb 0.55 0.71 -0.11 0.00 -3.07 0.00 0.00 36.82 34.89 1x3b h ILE 74 CO -0.58 0.02 0.19 -0.07 -0.69 0.00 0.00 178.15 177.03 1x3b h LEU 75 N -0.53 0.03 -0.08 1.44 3.38 -0.22 0.15 115.31 119.48 1x3b h LEU 75 Ca -0.05 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1x3b h LEU 75 Cb 0.40 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1x3b h LEU 75 CO 0.08 -0.05 -0.29 0.11 0.09 0.00 0.00 178.44 178.38 1x3b h LYS 76 N 0.27 -0.38 0.00 1.13 1.57 0.24 0.55 116.57 119.96 1x3b h LYS 76 Ca 0.44 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1x3b h LYS 76 Cb 0.77 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1x3b h LYS 76 CO -0.53 -0.25 0.00 0.98 -0.57 0.00 0.00 179.45 179.08 1x3b n TYR 77 N -5.39 0.32 0.05 -1.35 4.19 0.18 -0.77 117.16 114.39 1x3b n TYR 77 Ca -0.04 0.15 0.07 0.00 3.31 0.00 0.00 57.90 61.39 1x3b n TYR 77 Cb 0.31 -0.74 -0.06 0.00 0.49 0.00 0.00 39.34 39.34 1x3b n TYR 77 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1x3b n HIS 78 N -1.81 0.76 -3.95 2.98 8.25 0.15 -4.89 115.22 116.70 1x3b n HIS 78 Ca 0.01 0.23 -0.31 0.00 -0.26 0.00 0.00 57.72 57.39 1x3b n HIS 78 Cb 0.10 -0.91 -0.05 0.00 1.12 0.00 0.00 29.99 30.25 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 -3.23 5.18 0.29 1.59 1.01 0.11 -2.78 121.20 123.36 1x3b s ILE 79 Ca -0.03 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1x3b s ILE 79 Cb 0.10 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 39.07 1x3b s ILE 79 CO 0.82 0.14 0.14 0.61 0.00 0.00 0.00 174.94 176.65 1x3b n GLY 80 N 0.34 3.23 0.18 6.18 0.00 0.95 -3.71 105.19 112.36 1x3b n GLY 80 Ca -0.06 -2.26 0.02 0.00 0.00 0.00 0.00 46.02 43.72 1x3b n GLY 80 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x3b n ASP 81 N -1.65 2.22 -3.52 1.61 2.03 -0.79 -3.91 116.55 112.55 1x3b n ASP 81 Ca -0.05 -1.97 -0.11 0.00 0.52 0.00 0.00 54.79 53.18 1x3b n ASP 81 Cb 0.34 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 1x3b n ASP 81 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1x3b s GLU 82 N -0.97 1.28 -0.27 -0.67 -1.05 -1.26 -4.83 118.70 110.94 1x3b s GLU 82 Ca 0.06 -0.58 -0.18 0.00 -0.15 0.00 0.00 54.97 54.12 1x3b s GLU 82 Cb 0.03 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.26 1x3b s GLU 82 CO 0.04 -0.55 0.54 0.42 0.95 0.00 0.00 175.26 176.66 1x3b s ILE 83 N -3.78 5.05 -0.16 1.83 -1.09 -1.26 -3.58 121.20 118.20 1x3b s ILE 83 Ca 0.03 0.89 0.01 0.00 -2.23 0.00 0.00 60.65 59.35 1x3b s ILE 83 Cb -0.01 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1x3b s ILE 83 CO -0.11 0.05 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.26 1x3b s LEU 84 N 2.36 1.91 0.07 2.97 0.20 -1.26 -5.09 118.68 119.84 1x3b s LEU 84 Ca 0.22 -0.57 0.03 0.00 0.69 0.00 0.00 54.13 54.50 1x3b s LEU 84 Cb -0.16 -1.33 -0.03 0.00 -0.43 0.00 0.00 46.19 44.24 1x3b s LEU 84 CO 0.09 -0.03 -0.09 0.68 -0.29 0.00 0.00 176.35 176.72 1x3b s VAL 85 N 1.37 0.75 -0.94 1.68 -7.23 -1.26 -4.94 120.40 109.84 1x3b s VAL 85 Ca 0.05 -1.38 -0.19 0.00 -1.81 0.00 0.00 61.98 58.64 1x3b s VAL 85 Cb -0.13 -1.03 -0.11 0.00 0.56 0.00 0.00 36.38 35.68 1x3b s VAL 85 CO -0.12 -0.47 2.01 -1.20 -0.31 0.00 0.00 175.10 175.01 1x3b n SER 86 N 0.99 2.99 -2.55 4.85 7.64 -1.26 -4.45 113.62 121.83 1x3b n SER 86 Ca -0.19 -2.70 -0.14 0.00 1.01 0.00 0.00 58.87 56.85 1x3b n SER 86 Cb 0.56 -1.24 0.02 0.00 -1.01 0.00 0.00 64.21 62.55 1x3b n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3b n GLY 87 N 4.39 3.58 0.00 0.23 0.00 -1.26 -4.87 105.19 107.26 1x3b n GLY 87 Ca 0.50 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.39 0.75 0.00 -0.02 0.00 -1.26 -5.14 105.19 99.12 1x3b n GLY 88 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.06 119.36 114.51 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 -0.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.87 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 4.17 1.18 0.00 7.39 0.00 -1.26 -5.04 105.19 111.63 1x3b n GLY 90 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.13 4.61 0.00 -1.26 -5.02 120.51 115.70 1x3b n ALA 91 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1x3b n ALA 91 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.21 1.88 -0.08 0.00 2.96 -1.26 -2.30 118.68 118.67 1x3b s LEU 92 Ca 0.00 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1x3b s LEU 92 Cb 0.00 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1x3b s LEU 92 CO 0.00 0.12 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.25 1x3b s VAL 93 N 0.28 1.82 -0.40 1.68 1.01 0.24 -4.99 120.40 120.04 1x3b s VAL 93 Ca -0.10 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1x3b s VAL 93 Cb -0.14 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1x3b s VAL 93 CO 0.04 0.51 0.38 -0.13 0.00 0.00 0.00 175.10 175.90 1x3b s ARG 94 N 0.28 3.17 -0.32 2.72 0.52 -1.26 -1.37 118.95 122.69 1x3b s ARG 94 Ca -0.14 -0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 54.18 1x3b s ARG 94 Cb -0.16 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.36 1x3b s ARG 94 CO 0.06 -0.75 0.34 -1.17 0.02 0.00 0.00 175.30 173.80 1x3b s LEU 95 N 1.99 4.32 -0.21 2.53 0.20 -0.84 -4.93 118.68 121.73 1x3b s LEU 95 Ca 0.10 -0.12 -0.29 0.00 0.69 0.00 0.00 54.13 54.51 1x3b s LEU 95 Cb -0.17 -2.32 -0.03 0.00 -0.43 0.00 0.00 46.19 43.24 1x3b s LEU 95 CO 0.12 -0.27 1.58 -0.75 -0.29 0.00 0.00 176.35 176.74 1x3b s LYS 96 N 1.98 3.85 0.73 1.98 2.20 -1.26 0.28 119.74 129.50 1x3b s LYS 96 Ca 0.11 1.67 -0.03 0.00 -0.36 0.00 0.00 55.97 57.37 1x3b s LYS 96 Cb -0.16 -4.01 0.12 0.00 -1.51 0.00 0.00 37.83 32.27 1x3b s LYS 96 CO 0.11 -1.22 1.01 0.45 -0.36 0.00 0.00 175.35 175.34 1x3b s SER 97 N 3.98 4.31 -0.16 1.43 0.15 -1.25 -1.88 113.70 120.28 1x3b s SER 97 Ca 0.70 -0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.91 1x3b s SER 97 Cb -0.25 -0.17 -0.23 0.00 -1.71 0.00 0.00 66.02 63.66 1x3b s SER 97 CO 0.28 -1.89 0.45 -0.07 1.20 0.00 0.00 173.24 173.21 1x3b h LEU 98 N -0.61 0.13 -1.60 3.45 3.38 -1.70 -3.33 115.31 115.04 1x3b h LEU 98 Ca -0.38 -0.74 0.50 0.00 0.09 0.00 0.00 57.88 57.35 1x3b h LEU 98 Cb 1.27 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1x3b h LEU 98 CO 0.42 1.44 1.10 1.67 0.09 0.00 0.00 178.44 183.16 1x3b n GLN 99 N -4.28 -0.02 0.00 1.13 0.00 -1.25 -4.73 117.38 108.23 1x3b n GLN 99 Ca -0.25 1.11 0.00 0.00 -0.00 0.00 0.00 57.00 57.85 1x3b n GLN 99 Cb 0.72 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.60 1x3b n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x3b n GLY 100 N -1.69 3.60 3.72 1.69 0.00 -1.25 -4.99 105.19 106.27 1x3b n GLY 100 Ca 0.40 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1x3b n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x3b s ASP 101 N 0.00 7.01 0.07 1.61 1.01 -1.26 -4.77 116.67 120.35 1x3b s ASP 101 Ca 0.00 2.13 -0.31 0.00 0.71 0.00 0.00 52.55 55.08 1x3b s ASP 101 Cb 0.00 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 1x3b s ASP 101 CO 0.00 -0.51 1.41 -0.54 0.21 0.00 0.00 175.17 175.74 1x3b s LYS 102 N 0.90 4.30 0.68 8.23 3.01 -1.26 -3.87 119.74 131.72 1x3b s LYS 102 Ca 0.59 2.05 -0.11 0.00 -1.01 0.00 0.00 55.97 57.50 1x3b s LYS 102 Cb -0.32 -3.38 -0.00 0.00 -1.01 0.00 0.00 37.83 33.12 1x3b s LYS 102 CO 0.30 -0.50 1.05 -0.51 0.51 0.00 0.00 175.35 176.21 1x3b s LEU 103 N 1.63 3.11 -0.09 3.17 1.43 0.14 -4.90 118.68 123.17 1x3b s LEU 103 Ca 0.65 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 55.27 1x3b s LEU 103 Cb -0.35 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.48 1x3b s LEU 103 CO 0.29 -1.26 -0.22 -1.61 0.23 0.00 0.00 176.35 173.78 1x3b s GLU 104 N -5.13 2.74 -0.09 1.70 2.02 -1.26 -2.00 118.70 116.68 1x3b s GLU 104 Ca 0.57 -0.78 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 1x3b s GLU 104 Cb -0.13 -2.10 0.05 0.00 0.10 0.00 0.00 34.13 32.05 1x3b s GLU 104 CO 0.54 0.16 0.20 0.08 0.02 0.00 0.00 175.26 176.26 1x3b s VAL 105 N 0.38 -0.18 0.19 2.63 1.01 -0.47 0.03 120.40 123.98 1x3b s VAL 105 Ca -0.17 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1x3b s VAL 105 Cb -0.17 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1x3b s VAL 105 CO 0.08 0.10 0.02 -0.94 0.00 0.00 0.00 175.10 174.36 1x3b s SER 106 N 1.77 1.19 -0.21 3.32 1.04 -0.80 0.81 113.70 120.82 1x3b s SER 106 Ca -0.04 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.19 1x3b s SER 106 Cb -0.12 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.18 1x3b s SER 106 CO -0.07 -0.60 -0.11 -0.22 0.98 0.00 0.00 173.24 173.22 1x3b s LEU 107 N -3.20 2.45 0.03 2.42 2.96 -0.97 -1.42 118.68 120.96 1x3b s LEU 107 Ca 0.27 -0.96 0.02 0.00 -0.22 0.00 0.00 54.13 53.23 1x3b s LEU 107 Cb 0.06 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 1x3b s LEU 107 CO 0.06 -0.15 -0.07 -1.59 -1.32 0.00 0.00 176.35 173.28 1x3b s LYS 108 N 1.35 0.49 -1.64 1.98 -2.85 -0.21 -4.75 119.74 114.11 1x3b s LYS 108 Ca -0.02 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 1x3b s LYS 108 Cb -0.17 -0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.32 1x3b s LYS 108 CO -0.08 0.05 0.00 0.09 0.10 0.00 0.00 175.35 175.51 1x3b n ASN 109 N 1.71 -4.63 0.00 0.03 4.13 -1.26 0.15 115.26 115.39 1x3b n ASN 109 Ca -0.21 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.43 1x3b n ASN 109 Cb 0.55 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.79 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 -0.91 -2.72 -4.76 6.41 5.15 -1.26 -5.00 115.26 112.18 1x3b n ASN 110 Ca -0.15 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.53 1x3b n ASN 110 Cb 0.55 -0.93 -0.07 0.00 -0.53 0.00 0.00 39.78 38.81 1x3b n ASN 110 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1x3b s VAL 111 N -2.20 4.41 -0.09 3.44 1.01 0.40 -5.10 120.40 122.27 1x3b s VAL 111 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1x3b s VAL 111 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1x3b s VAL 111 CO 0.00 0.09 0.34 -0.69 0.00 0.00 0.00 175.10 174.84 1x3b s VAL 112 N -1.43 5.21 0.07 2.92 1.01 -1.26 -1.04 120.40 125.88 1x3b s VAL 112 Ca 0.29 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.99 1x3b s VAL 112 Cb -0.12 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1x3b s VAL 112 CO 0.21 0.48 -0.15 -0.44 0.00 0.00 0.00 175.10 175.21 1x3b s SER 113 N -0.28 1.72 -0.05 3.32 0.01 -0.51 -2.75 113.70 115.16 1x3b s SER 113 Ca 0.20 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1x3b s SER 113 Cb -0.14 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1x3b s SER 113 CO 0.08 -0.07 -0.03 0.54 0.41 0.00 0.00 173.24 174.17 1x3b s VAL 114 N -1.27 0.45 -0.99 3.43 0.11 -0.22 -1.91 120.40 120.01 1x3b s VAL 114 Ca -0.02 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1x3b s VAL 114 Cb -0.10 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1x3b s VAL 114 CO 0.02 0.22 0.00 0.59 -3.33 0.00 0.00 175.10 172.60 1x3b n ASN 115 N 4.24 -2.72 -0.76 3.54 3.02 0.10 0.75 115.26 123.43 1x3b n ASN 115 Ca -0.22 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1x3b n ASN 115 Cb 0.51 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 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 -1.88 0.00 -4.01 3.52 5.02 -1.26 -5.04 118.16 114.51 1x3b n LYS 116 Ca -0.10 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.04 1x3b n LYS 116 Cb 0.38 -2.26 -0.15 0.00 -0.02 0.00 0.00 35.03 32.98 1x3b n LYS 116 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x3b s GLU 117 N -3.83 0.25 0.08 1.97 2.12 0.23 -5.13 118.70 114.38 1x3b s GLU 117 Ca 0.00 -0.07 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 1x3b s GLU 117 Cb 0.00 -0.27 -0.06 0.00 0.26 0.00 0.00 34.13 34.06 1x3b s GLU 117 CO 0.00 0.02 1.15 -1.25 -0.54 0.00 0.00 175.26 174.65 1x3b s PRO 118 N 0.15 4.48 0.28 4.30 0.04 -1.26 -1.06 135.00 141.93 1x3b s PRO 118 Ca -0.01 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1x3b s PRO 118 Cb -0.04 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 1x3b s PRO 118 CO -0.00 -0.17 0.68 0.08 0.04 0.00 0.00 177.00 177.63 1x3b s VAL 119 N 0.78 4.74 -0.09 -0.36 1.01 -1.11 -2.55 120.40 122.82 1x3b s VAL 119 Ca 0.56 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 1x3b s VAL 119 Cb -0.28 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1x3b s VAL 119 CO 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 175.10 175.29 1x3b h ALA 120 N 2.52 0.00 -1.96 5.51 0.00 0.28 -3.46 119.26 122.16 1x3b h ALA 120 Ca -0.48 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 53.99 1x3b h ALA 120 Cb 1.18 0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.70 1x3b h ALA 120 CO 0.66 0.05 -0.71 -1.21 0.00 0.00 0.00 179.25 178.04 1x3b s GLU 121 N -1.53 0.70 0.90 0.00 2.02 -1.11 -5.00 118.70 114.68 1x3b s GLU 121 Ca -0.01 -1.05 -0.15 0.00 0.02 0.00 0.00 54.97 53.77 1x3b s GLU 121 Cb 0.00 -0.78 0.22 0.00 0.10 0.00 0.00 34.13 33.67 1x3b s GLU 121 CO 0.02 -1.23 0.99 -0.35 0.02 0.00 0.00 175.26 174.71 1x3b n PRO 122 N 3.97 -1.90 -2.99 0.39 -0.04 -1.26 -3.23 135.00 129.94 1x3b n PRO 122 Ca 0.14 -1.55 -0.07 0.00 -0.04 0.00 0.00 63.50 61.97 1x3b n PRO 122 Cb 0.46 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -4.11 -6.63 -4.10 3.54 8.00 -1.24 -4.93 116.55 107.07 1x3b n ASP 123 Ca 0.13 -0.38 -0.36 0.00 0.71 0.00 0.00 54.79 54.89 1x3b n ASP 123 Cb 0.48 -4.79 -0.10 0.00 -0.02 0.00 0.00 41.12 36.69 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 -3.19 3.63 0.24 0.53 1.01 -0.65 -4.80 121.20 117.96 1x3b s ILE 124 Ca 0.23 -2.73 -0.31 0.00 0.00 0.00 0.00 60.65 57.84 1x3b s ILE 124 Cb -0.03 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 1x3b s ILE 124 CO 0.67 -0.83 1.62 -0.04 0.00 0.00 0.00 174.94 176.35 1x3b s MET 125 N 0.24 4.15 0.00 2.79 -1.94 -1.26 -1.54 119.30 121.74 1x3b s MET 125 Ca 0.15 2.53 0.00 0.00 -1.71 0.00 0.00 55.69 56.66 1x3b s MET 125 Cb -0.21 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.56 1x3b s MET 125 CO -0.04 -0.65 0.00 0.00 -0.01 0.00 0.00 175.02 174.32 1x3b n ALA 126 N 3.13 0.00 0.05 3.03 0.00 -0.27 -4.94 120.51 121.51 1x3b n ALA 126 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 1x3b n ALA 126 Cb 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 1x3b n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x3b h THR 127 N 0.58 1.35 -0.20 0.00 1.35 -1.89 -3.40 112.91 110.69 1x3b h THR 127 Ca 0.00 -3.05 -0.23 0.00 -0.55 0.00 0.00 66.41 62.58 1x3b h THR 127 Cb 0.00 2.74 -0.22 0.00 -1.73 0.00 0.00 68.15 68.94 1x3b h THR 127 CO 0.00 0.82 -0.55 -0.46 -0.25 0.00 0.00 175.52 175.08 1x3b n ASN 128 N -3.33 -0.81 0.00 5.36 6.94 -1.26 -5.01 115.26 117.14 1x3b n ASN 128 Ca -0.09 -2.35 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 1x3b n ASN 128 Cb 1.00 0.48 0.00 0.00 -2.36 0.00 0.00 39.78 38.91 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 -0.86 -1.22 3.31 4.83 0.00 -1.26 -3.50 105.19 106.50 1x3b n GLY 129 Ca -0.05 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 0.52 -0.03 1.61 0.11 -1.24 -1.12 120.40 117.25 1x3b s VAL 130 Ca 0.00 -2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 56.94 1x3b s VAL 130 Cb 0.00 -2.63 0.02 0.00 -1.53 0.00 0.00 36.38 32.24 1x3b s VAL 130 CO 0.00 0.00 0.25 -0.69 -3.33 0.00 0.00 175.10 171.33 1x3b s VAL 131 N -3.78 0.05 -0.32 2.04 1.01 -0.59 -3.59 120.40 115.22 1x3b s VAL 131 Ca 0.38 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1x3b s VAL 131 Cb 0.08 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 36.07 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 -0.95 0.93 0.13 5.22 3.76 -0.90 -1.64 115.29 121.83 1x3b s HIS 132 Ca -0.10 -1.42 -0.33 0.00 -0.15 0.00 0.00 55.06 53.06 1x3b s HIS 132 Cb -0.05 -1.21 -0.13 0.00 1.11 0.00 0.00 32.58 32.31 1x3b s HIS 132 CO 0.02 -0.84 1.69 0.28 -0.85 0.00 0.00 174.74 175.05 1x3b n VAL 133 N 4.70 0.14 -3.42 -0.90 0.31 -1.20 -3.67 118.33 114.30 1x3b n VAL 133 Ca 0.01 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.11 1x3b n VAL 133 Cb 0.40 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 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 1.71 2.66 -0.23 2.52 -4.36 0.08 0.24 121.20 123.81 1x3b s ILE 134 Ca 0.81 -1.25 0.10 0.00 -0.26 0.00 0.00 60.65 60.04 1x3b s ILE 134 Cb -0.61 -2.91 0.43 0.00 1.25 0.00 0.00 42.46 40.62 1x3b s ILE 134 CO 0.39 0.00 1.22 0.35 0.24 0.00 0.00 174.94 177.14 1x3b n THR 135 N -1.67 2.30 0.00 8.37 -2.24 -1.06 -2.64 114.28 117.34 1x3b n THR 135 Ca 0.05 -3.46 0.00 0.00 -2.27 0.00 0.00 64.05 58.37 1x3b n THR 135 Cb 0.61 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1x3b n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x3b n ASN 136 N -1.02 0.00 -4.65 3.42 4.13 -1.26 -4.80 115.26 111.07 1x3b n ASN 136 Ca 0.25 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 56.09 1x3b n ASN 136 Cb 0.76 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.98 1x3b n ASN 136 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x3b s VAL 137 N -1.82 4.06 0.72 2.41 1.01 -1.26 -4.72 120.40 120.79 1x3b s VAL 137 Ca 0.00 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 63.12 1x3b s VAL 137 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1x3b s VAL 137 CO 0.00 -0.19 1.09 -0.76 0.00 0.00 0.00 175.10 175.24 1x3b s LEU 138 N 3.94 3.18 0.03 3.92 1.43 -1.26 -5.07 118.68 124.86 1x3b s LEU 138 Ca 0.60 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1x3b s LEU 138 Cb -0.23 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.43 1x3b s LEU 138 CO 0.20 -1.79 -0.04 -1.10 0.23 0.00 0.00 176.35 173.86 1x3b s GLN 139 N -4.62 0.40 0.08 1.70 -0.21 -1.26 -5.06 119.66 110.69 1x3b s GLN 139 Ca 0.63 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 1x3b s GLN 139 Cb -0.18 0.07 -0.06 0.00 1.00 0.00 0.00 33.01 33.85 1x3b s GLN 139 CO 0.50 -0.05 1.16 -1.25 -2.12 0.00 0.00 175.29 173.53 1x3b s PRO 140 N -1.99 4.48 0.51 2.91 0.04 -1.26 -4.80 135.00 134.89 1x3b s PRO 140 Ca -0.10 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1x3b s PRO 140 Cb -0.06 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1x3b s PRO 140 CO -0.03 -0.16 0.00 0.45 0.04 0.00 0.00 177.00 177.30 1x3b n SER 141 N 3.54 -6.40 -4.77 6.66 2.88 -1.26 -4.86 113.62 109.41 1x3b n SER 141 Ca 0.07 1.19 -0.34 0.00 -1.33 0.00 0.00 58.87 58.46 1x3b n SER 141 Cb 0.47 -4.05 0.02 0.00 -0.75 0.00 0.00 64.21 59.90 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 -6.67 2.42 -0.04 0.46 0.00 -1.26 -5.00 107.32 97.22 1x3b s GLY 142 Ca 0.00 0.71 -0.07 0.00 0.00 0.00 0.00 44.72 45.36 1x3b s GLY 142 CO 0.00 1.06 0.35 -0.56 0.00 0.00 0.00 173.10 173.95 1x3b h PRO 143 N 0.63 -0.24 -4.61 2.90 0.13 -1.96 -3.50 132.00 125.37 1x3b h PRO 143 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x3b h PRO 143 Cb 1.26 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1x3b h PRO 143 CO 0.55 -0.16 -0.51 0.45 -0.23 0.00 0.00 178.00 178.11 1x3b n SER 144 N -4.18 -6.35 -2.98 1.44 2.88 -1.26 -5.05 113.62 98.11 1x3b n SER 144 Ca -0.03 0.66 -0.01 0.00 -1.33 0.00 0.00 58.87 58.15 1x3b n SER 144 Cb 0.10 -4.18 0.00 0.00 -0.75 0.00 0.00 64.21 59.38 1x3b n SER 144 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x3b s SER 145 N -1.77 -1.42 0.00 -3.46 0.15 -1.26 -5.33 113.70 100.61 1x3b s SER 145 Ca 0.11 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1x3b s SER 145 Cb -0.03 1.84 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1x3b s SER 145 CO 0.56 -0.11 0.46 0.61 1.20 0.00 0.00 173.24 175.97