#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1j n ASP 3 N 0.00 2.83 0.00 0.00 4.64 -1.26 -4.74 116.55 118.02 2b1j n ASP 3 Ca 0.00 0.24 0.00 0.00 -1.38 0.00 0.00 54.79 53.65 2b1j n ASP 3 Cb 0.00 -1.46 0.00 0.00 -1.04 0.00 0.00 41.12 38.62 2b1j n ASP 3 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2b1j n LYS 4 N 8.59 0.00 0.00 -0.67 4.76 -1.26 0.72 118.16 130.30 2b1j n LYS 4 Ca 0.34 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.88 2b1j n LYS 4 Cb 0.38 -1.27 -0.05 0.00 -1.84 0.00 0.00 35.03 32.24 2b1j n LYS 4 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2b1j n GLU 5 N -0.72 0.90 -1.68 1.97 4.07 -1.26 -4.15 120.64 119.77 2b1j n GLU 5 Ca 0.00 -0.52 -0.53 0.00 -0.06 0.00 0.00 57.16 56.05 2b1j n GLU 5 Cb 0.00 -1.44 -0.06 0.00 -0.06 0.00 0.00 31.44 29.88 2b1j n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2b1j n LEU 6 N -0.70 2.67 -4.62 4.31 7.94 0.22 -4.79 117.00 122.03 2b1j n LEU 6 Ca 0.06 1.05 -0.43 0.00 -1.11 0.00 0.00 56.01 55.59 2b1j n LEU 6 Cb 0.38 -1.25 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 2b1j n LEU 6 CO 0.33 -0.40 1.01 -0.75 -1.11 0.00 0.00 177.39 176.47 2b1j s LYS 7 N 2.91 3.92 0.02 1.96 2.20 -1.26 -4.53 119.74 124.97 2b1j s LYS 7 Ca 0.92 0.93 -0.08 0.00 -0.36 0.00 0.00 55.97 57.38 2b1j s LYS 7 Cb -0.89 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 31.56 2b1j s LYS 7 CO 0.55 -1.10 0.31 -0.06 -0.36 0.00 0.00 175.35 174.69 2b1j s PHE 8 N 4.06 3.59 -0.24 4.03 0.40 0.67 -1.11 117.98 129.38 2b1j s PHE 8 Ca 0.48 0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 57.47 2b1j s PHE 8 Cb -0.11 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.39 2b1j s PHE 8 CO 0.22 0.60 -0.08 -1.17 0.70 0.00 0.00 175.22 175.49 2b1j s LEU 9 N -1.70 3.09 -0.29 -0.37 2.96 -0.32 -0.16 118.68 121.90 2b1j s LEU 9 Ca 0.28 -0.87 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 2b1j s LEU 9 Cb -0.14 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2b1j s LEU 9 CO 0.16 -0.12 0.18 -0.69 -1.32 0.00 0.00 176.35 174.56 2b1j s VAL 10 N 1.31 5.11 -0.21 1.68 1.01 0.12 -1.31 120.40 128.12 2b1j s VAL 10 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2b1j s VAL 10 Cb -0.16 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2b1j s VAL 10 CO -0.05 0.21 -0.08 -0.69 0.00 0.00 0.00 175.10 174.48 2b1j s VAL 11 N 1.72 3.07 -0.29 2.92 1.01 0.62 -0.90 120.40 128.56 2b1j s VAL 11 Ca 0.07 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 2b1j s VAL 11 Cb -0.16 -2.38 0.14 0.00 0.00 0.00 0.00 36.38 33.98 2b1j s VAL 11 CO 0.10 0.45 0.97 -0.62 0.00 0.00 0.00 175.10 176.00 2b1j s ASP 12 N 1.39 -0.51 0.00 3.32 -1.08 -1.03 0.04 116.67 118.79 2b1j s ASP 12 Ca 0.05 0.83 0.15 0.00 -0.52 0.00 0.00 52.55 53.06 2b1j s ASP 12 Cb -0.14 1.17 0.72 0.00 -1.46 0.00 0.00 42.92 43.22 2b1j s ASP 12 CO -0.05 -0.13 1.43 -0.90 0.52 0.00 0.00 175.17 176.04 2b1j n ASP 13 N 3.57 0.00 -4.29 -0.34 5.75 -1.08 -4.47 116.55 115.69 2b1j n ASP 13 Ca -0.18 0.19 -0.36 0.00 -0.01 0.00 0.00 54.79 54.43 2b1j n ASP 13 Cb 0.57 -0.34 -0.13 0.00 -1.03 0.00 0.00 41.12 40.19 2b1j n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2b1j s PHE 14 N -2.69 3.12 0.21 2.11 2.99 -1.26 -5.01 117.98 117.45 2b1j s PHE 14 Ca 0.12 -1.20 -0.11 0.00 0.00 0.00 0.00 56.93 55.74 2b1j s PHE 14 Cb 0.10 -2.18 0.27 0.00 0.00 0.00 0.00 43.02 41.20 2b1j s PHE 14 CO 0.24 -0.63 1.68 0.77 -0.00 0.00 0.00 175.22 177.27 2b1j h SER 15 N 8.15 -0.21 -0.73 1.36 0.02 -1.99 -2.19 113.55 117.95 2b1j h SER 15 Ca -0.32 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2b1j h SER 15 Cb 1.12 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.83 2b1j h SER 15 CO 0.59 -0.08 0.42 0.74 -1.14 0.00 0.00 176.83 177.36 2b1j h THR 16 N 0.14 0.97 -0.73 -2.27 2.02 -1.96 -0.41 112.91 110.66 2b1j h THR 16 Ca 0.30 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 2b1j h THR 16 Cb 0.47 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2b1j h THR 16 CO -0.48 0.14 0.32 -0.03 0.37 0.00 0.00 175.52 175.85 2b1j h MET 17 N 0.76 1.07 -0.68 6.66 -1.53 -1.81 -0.14 114.93 119.26 2b1j h MET 17 Ca 0.33 -0.18 -0.04 0.00 -3.44 0.00 0.00 59.70 56.37 2b1j h MET 17 Cb 0.21 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.05 2b1j h MET 17 CO -0.19 0.86 0.26 0.00 0.14 0.00 0.00 176.91 177.97 2b1j h ARG 18 N 1.04 1.00 -0.32 0.39 3.08 -1.00 0.10 114.38 118.67 2b1j h ARG 18 Ca 0.25 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2b1j h ARG 18 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2b1j h ARG 18 CO -0.03 0.83 0.12 -0.09 -1.07 0.00 0.00 179.97 179.73 2b1j h ARG 19 N 0.98 0.49 0.38 0.04 9.65 -0.31 0.11 114.38 125.72 2b1j h ARG 19 Ca 0.23 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 2b1j h ARG 19 Cb 0.21 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2b1j h ARG 19 CO -0.02 0.51 -0.26 0.82 2.80 0.00 0.00 179.97 183.82 2b1j h ILE 20 N 0.36 0.46 -0.14 1.20 2.04 -0.57 -0.42 117.51 120.44 2b1j h ILE 20 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 2b1j h ILE 20 Cb 0.21 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2b1j h ILE 20 CO -0.01 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.64 2b1j h VAL 21 N -0.63 0.75 -0.38 1.67 2.07 -0.88 0.14 116.25 119.00 2b1j h VAL 21 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2b1j h VAL 21 Cb 0.53 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2b1j h VAL 21 CO 0.02 0.00 -0.30 -0.09 0.02 0.00 0.00 177.57 177.22 2b1j h ARG 22 N -0.07 -0.23 -0.20 1.57 2.43 -0.59 0.13 114.38 117.42 2b1j h ARG 22 Ca 0.08 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2b1j h ARG 22 Cb 0.19 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2b1j h ARG 22 CO -0.19 -0.15 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.19 2b1j h ASN 23 N -0.24 0.27 0.36 -3.80 2.35 -0.38 -0.31 115.58 113.84 2b1j h ASN 23 Ca 0.17 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 2b1j h ASN 23 Cb 0.52 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2b1j h ASN 23 CO -0.52 0.34 -0.57 -0.07 -1.65 0.00 0.00 177.43 174.97 2b1j h LEU 24 N 0.29 0.24 -0.21 1.61 3.38 0.61 -1.14 115.31 120.09 2b1j h LEU 24 Ca 0.07 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2b1j h LEU 24 Cb 0.23 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2b1j h LEU 24 CO 0.01 0.75 -0.21 -0.07 0.09 0.00 0.00 178.44 179.01 2b1j h LEU 25 N 0.16 0.55 -0.33 1.67 3.38 -0.20 -2.51 115.31 118.02 2b1j h LEU 25 Ca -0.00 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.53 2b1j h LEU 25 Cb 1.05 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2b1j h LEU 25 CO 0.09 0.91 0.11 0.50 0.09 0.00 0.00 178.44 180.14 2b1j h LYS 26 N 0.19 0.25 -0.21 1.13 3.64 -0.87 0.97 116.57 121.66 2b1j h LYS 26 Ca 0.03 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2b1j h LYS 26 Cb 0.76 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2b1j h LYS 26 CO 0.05 0.16 0.19 1.49 -2.27 0.00 0.00 179.45 179.07 2b1j h GLU 27 N 0.25 0.00 -0.01 1.90 4.81 -1.14 0.34 114.58 120.73 2b1j h GLU 27 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2b1j h GLU 27 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2b1j h GLU 27 CO -0.16 0.00 -0.25 1.28 -0.73 0.00 0.00 179.01 179.16 2b1j n LEU 28 N -4.11 0.87 0.00 1.64 4.77 0.14 -4.94 117.00 115.36 2b1j n LEU 28 Ca 0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2b1j n LEU 28 Cb 0.32 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2b1j n LEU 28 CO 0.31 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2b1j n GLY 29 N 1.34 0.73 3.43 -0.72 0.00 0.12 -5.07 105.19 105.02 2b1j n GLY 29 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2b1j n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b1j s PHE 30 N -2.00 3.24 -0.73 1.61 0.08 -0.08 -4.80 117.98 115.30 2b1j s PHE 30 Ca 0.00 -0.72 0.16 0.00 0.12 0.00 0.00 56.93 56.48 2b1j s PHE 30 Cb 0.00 -2.58 -0.17 0.00 -0.57 0.00 0.00 43.02 39.70 2b1j s PHE 30 CO 0.00 -0.62 0.67 0.09 -0.10 0.00 0.00 175.22 175.26 2b1j n ASN 31 N 5.11 0.76 -4.34 1.36 3.02 -1.26 -2.70 115.26 117.21 2b1j n ASN 31 Ca -0.11 -0.85 -0.43 0.00 -0.03 0.00 0.00 54.58 53.15 2b1j n ASN 31 Cb 0.46 1.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.65 2b1j n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2b1j n ASN 32 N -1.39 5.08 -4.17 6.41 5.15 -1.26 -4.94 115.26 120.14 2b1j n ASN 32 Ca 0.03 -2.98 -0.31 0.00 -0.60 0.00 0.00 54.58 50.72 2b1j n ASN 32 Cb 0.25 -1.59 -0.17 0.00 -0.53 0.00 0.00 39.78 37.74 2b1j n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2b1j s VAL 33 N 1.94 1.90 0.19 3.44 1.01 -1.26 -0.24 120.40 127.38 2b1j s VAL 33 Ca 0.45 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.60 2b1j s VAL 33 Cb 0.02 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2b1j s VAL 33 CO 0.01 0.52 -0.07 -1.61 0.00 0.00 0.00 175.10 173.95 2b1j s GLU 34 N 0.56 2.13 0.08 2.72 0.41 0.77 -4.97 118.70 120.40 2b1j s GLU 34 Ca -0.14 -1.26 0.10 0.00 -0.41 0.00 0.00 54.97 53.25 2b1j s GLU 34 Cb -0.17 -2.18 -0.03 0.00 -1.78 0.00 0.00 34.13 29.97 2b1j s GLU 34 CO 0.05 0.43 -0.25 -1.21 -0.49 0.00 0.00 175.26 173.78 2b1j s GLU 35 N -2.93 1.54 0.07 1.61 2.02 -1.26 0.13 118.70 119.88 2b1j s GLU 35 Ca 0.26 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 54.10 2b1j s GLU 35 Cb -0.09 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.28 2b1j s GLU 35 CO 0.16 0.46 -0.10 0.00 0.02 0.00 0.00 175.26 175.79 2b1j s ALA 36 N -0.93 0.91 -0.10 5.21 0.00 -0.07 -4.90 121.76 121.88 2b1j s ALA 36 Ca 0.11 -0.96 0.15 0.00 0.00 0.00 0.00 51.96 51.26 2b1j s ALA 36 Cb -0.10 -0.00 -0.15 0.00 0.00 0.00 0.00 23.12 22.87 2b1j s ALA 36 CO 0.04 0.03 0.84 0.93 0.00 0.00 0.00 175.76 177.60 2b1j h GLU 37 N 4.15 0.00 -2.91 0.00 5.08 -1.87 -2.73 114.58 116.30 2b1j h GLU 37 Ca -0.38 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2b1j h GLU 37 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2b1j h GLU 37 CO 0.44 0.37 0.34 0.16 -1.00 0.00 0.00 179.01 179.32 2b1j s ASP 38 N -5.93 0.01 0.22 1.42 1.47 -1.26 -2.62 116.67 109.99 2b1j s ASP 38 Ca -0.03 -1.07 -0.07 0.00 1.18 0.00 0.00 52.55 52.56 2b1j s ASP 38 Cb 0.08 0.79 0.35 0.00 -0.34 0.00 0.00 42.92 43.80 2b1j s ASP 38 CO 0.81 -1.56 1.75 1.23 0.68 0.00 0.00 175.17 178.07 2b1j h GLY 39 N 2.00 0.98 0.87 2.12 0.00 -1.27 0.16 103.07 107.93 2b1j h GLY 39 Ca -0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2b1j h GLY 39 CO 0.40 -0.03 0.04 -2.08 0.00 0.00 0.00 176.54 174.87 2b1j h VAL 40 N 0.45 1.23 -0.33 4.60 2.07 -1.88 0.04 116.25 122.44 2b1j h VAL 40 Ca 0.35 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2b1j h VAL 40 Cb 0.46 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2b1j h VAL 40 CO -0.33 0.25 0.05 -0.78 0.02 0.00 0.00 177.57 176.77 2b1j h ASP 41 N 0.24 0.46 -0.04 0.57 3.58 -1.87 0.11 116.42 119.46 2b1j h ASP 41 Ca 0.08 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2b1j h ASP 41 Cb 0.34 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2b1j h ASP 41 CO 0.01 0.49 -0.01 0.00 -2.88 0.00 0.00 179.24 176.84 2b1j h ALA 42 N 1.57 0.06 -0.64 -0.78 0.00 -0.30 -2.23 119.26 116.94 2b1j h ALA 42 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2b1j h ALA 42 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2b1j h ALA 42 CO 0.00 -0.23 0.41 -0.07 0.00 0.00 0.00 179.25 179.37 2b1j h LEU 43 N -0.27 0.75 -1.10 0.00 3.38 -0.48 0.49 115.31 118.07 2b1j h LEU 43 Ca 0.01 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2b1j h LEU 43 Cb 0.41 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 2b1j h LEU 43 CO 0.00 0.56 0.61 0.78 0.09 0.00 0.00 178.44 180.48 2b1j h ASN 44 N 0.87 0.84 0.64 -0.43 2.35 -0.73 -1.00 115.58 118.13 2b1j h ASN 44 Ca 0.23 0.05 -0.27 0.00 -0.55 0.00 0.00 56.30 55.76 2b1j h ASN 44 Cb -0.08 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2b1j h ASN 44 CO -0.05 0.44 -1.22 0.11 -1.65 0.00 0.00 177.43 175.06 2b1j h LYS 45 N 0.90 0.26 -0.11 0.81 1.57 -0.63 -3.32 116.57 116.06 2b1j h LYS 45 Ca 0.48 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2b1j h LYS 45 Cb 0.56 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2b1j h LYS 45 CO -0.25 1.21 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.51 2b1j h LEU 46 N 0.07 0.18 -1.67 2.94 3.38 0.94 -2.56 115.31 118.59 2b1j h LEU 46 Ca -0.13 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2b1j h LEU 46 Cb 1.95 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 2b1j h LEU 46 CO 0.20 0.45 0.35 1.56 0.09 0.00 0.00 178.44 181.09 2b1j h GLN 47 N 0.17 0.37 0.00 1.13 4.20 -1.32 0.27 115.11 119.94 2b1j h GLN 47 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2b1j h GLN 47 Cb 0.55 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2b1j h GLN 47 CO 0.04 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 2b1j n ALA 48 N -2.52 1.73 -1.14 3.87 0.00 -0.96 -4.94 120.51 116.56 2b1j n ALA 48 Ca 0.08 -0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.63 2b1j n ALA 48 Cb 0.31 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 2b1j n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b1j n GLY 49 N -0.58 -1.60 0.52 0.00 0.00 0.95 -4.91 105.19 99.57 2b1j n GLY 49 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2b1j n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b1j n GLY 50 N -3.47 1.53 3.78 -0.02 0.00 -1.26 -4.96 105.19 100.80 2b1j n GLY 50 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2b1j n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b1j s TYR 51 N -2.35 3.87 -0.36 1.61 2.02 -1.26 -4.54 117.35 116.34 2b1j s TYR 51 Ca 0.00 1.56 0.05 0.00 -0.37 0.00 0.00 57.07 58.31 2b1j s TYR 51 Cb 0.00 -2.74 -0.02 0.00 -0.40 0.00 0.00 41.96 38.80 2b1j s TYR 51 CO 0.00 0.49 0.35 0.41 -1.57 0.00 0.00 175.55 175.23 2b1j n GLY 52 N 1.73 0.08 3.52 0.71 0.00 -0.27 -4.96 105.19 106.01 2b1j n GLY 52 Ca -0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 2b1j n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b1j s PHE 53 N -1.13 -0.69 -0.09 1.61 2.19 -1.10 -4.33 117.98 114.44 2b1j s PHE 53 Ca 0.03 1.67 0.03 0.00 0.33 0.00 0.00 56.93 58.99 2b1j s PHE 53 Cb 0.04 0.25 0.01 0.00 -1.31 0.00 0.00 43.02 42.00 2b1j s PHE 53 CO 0.15 -0.33 -0.18 0.08 1.83 0.00 0.00 175.22 176.77 2b1j s VAL 54 N 0.39 1.62 -0.25 3.12 1.01 -0.52 -1.17 120.40 124.59 2b1j s VAL 54 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2b1j s VAL 54 Cb -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2b1j s VAL 54 CO -0.00 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 174.89 2b1j s ILE 55 N 0.65 3.03 -0.04 2.22 1.01 -0.42 -0.37 121.20 127.28 2b1j s ILE 55 Ca -0.13 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.63 2b1j s ILE 55 Cb -0.16 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 2b1j s ILE 55 CO 0.04 0.21 -0.18 -0.55 0.00 0.00 0.00 174.94 174.46 2b1j s SER 56 N 1.36 2.20 0.91 3.58 0.15 -0.36 -0.28 113.70 121.26 2b1j s SER 56 Ca 0.01 -0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 2b1j s SER 56 Cb -0.16 -0.50 0.13 0.00 -1.71 0.00 0.00 66.02 63.78 2b1j s SER 56 CO -0.04 0.18 1.09 -0.62 1.20 0.00 0.00 173.24 175.05 2b1j s ASP 57 N -0.11 3.36 -0.24 5.45 2.15 0.11 -0.92 116.67 126.46 2b1j s ASP 57 Ca -0.00 1.52 -0.18 0.00 0.43 0.00 0.00 52.55 54.31 2b1j s ASP 57 Cb -0.10 -2.19 -0.16 0.00 -0.30 0.00 0.00 42.92 40.17 2b1j s ASP 57 CO 0.01 -2.71 -0.02 1.87 -0.17 0.00 0.00 175.17 174.15 2b1j n TRP 58 N -3.93 0.61 -3.20 -5.34 -0.00 -1.24 -3.53 117.44 100.81 2b1j n TRP 58 Ca 0.07 0.26 -0.42 0.00 -0.00 0.00 0.00 57.50 57.41 2b1j n TRP 58 Cb 0.55 -1.05 -0.07 0.00 -0.00 0.00 0.00 31.31 30.73 2b1j n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2b1j s ASN 59 N -7.09 6.31 -0.01 5.87 0.01 -1.26 -0.54 114.94 118.22 2b1j s ASN 59 Ca -0.33 -0.24 -0.13 0.00 -0.71 0.00 0.00 52.86 51.45 2b1j s ASN 59 Cb 0.09 -2.28 0.02 0.00 0.41 0.00 0.00 41.25 39.49 2b1j s ASN 59 CO 0.55 -0.61 0.27 -0.04 -1.51 0.00 0.00 177.10 175.75 2b1j s MET 60 N 2.53 0.63 0.84 -0.60 -1.94 -1.26 -4.64 119.30 114.86 2b1j s MET 60 Ca 0.19 -0.25 -0.12 0.00 -1.71 0.00 0.00 55.69 53.80 2b1j s MET 60 Cb -0.15 0.28 0.10 0.00 2.01 0.00 0.00 34.83 37.06 2b1j s MET 60 CO 0.15 -0.17 1.18 -1.25 -0.01 0.00 0.00 175.02 174.92 2b1j s PRO 61 N -1.40 1.72 0.00 2.03 0.04 -1.26 -3.56 135.00 132.57 2b1j s PRO 61 Ca -0.13 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2b1j s PRO 61 Cb -0.06 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2b1j s PRO 61 CO 0.03 -1.77 0.00 0.09 0.04 0.00 0.00 177.00 175.40 2b1j n ASN 62 N -3.44 0.00 -3.24 6.66 3.02 -1.26 -4.39 115.26 112.61 2b1j n ASN 62 Ca 0.08 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.67 2b1j n ASN 62 Cb 0.61 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 2b1j n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2b1j s MET 63 N 0.00 0.38 0.93 3.52 1.75 -1.26 -4.83 119.30 119.79 2b1j s MET 63 Ca 0.00 0.76 -0.14 0.00 -1.25 0.00 0.00 55.69 55.06 2b1j s MET 63 Cb 0.00 0.44 0.16 0.00 2.84 0.00 0.00 34.83 38.26 2b1j s MET 63 CO 0.00 -0.34 1.20 0.16 -0.65 0.00 0.00 175.02 175.40 2b1j s ASP 64 N 2.82 3.36 0.22 1.11 1.47 -1.23 -0.99 116.67 123.42 2b1j s ASP 64 Ca 0.06 0.66 -0.08 0.00 1.18 0.00 0.00 52.55 54.37 2b1j s ASP 64 Cb -0.11 -1.01 0.31 0.00 -0.34 0.00 0.00 42.92 41.77 2b1j s ASP 64 CO -0.17 -2.62 1.76 1.23 0.68 0.00 0.00 175.17 176.05 2b1j h GLY 65 N -1.55 0.95 0.96 2.12 0.00 -0.86 -1.29 103.07 103.40 2b1j h GLY 65 Ca -0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 2b1j h GLY 65 CO 0.52 0.00 0.19 -2.00 0.00 0.00 0.00 176.54 175.26 2b1j h LEU 66 N 0.48 0.49 -1.17 3.11 5.85 -1.86 -0.43 115.31 121.79 2b1j h LEU 66 Ca 0.33 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 2b1j h LEU 66 Cb 0.39 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2b1j h LEU 66 CO -0.30 0.46 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.13 2b1j h GLU 67 N 0.48 0.51 -0.28 1.25 4.57 -1.86 0.83 114.58 120.08 2b1j h GLU 67 Ca 0.13 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2b1j h GLU 67 Cb 0.09 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2b1j h GLU 67 CO -0.02 0.58 -0.05 1.25 -1.18 0.00 0.00 179.01 179.59 2b1j h LEU 68 N 0.48 0.52 -0.21 1.64 5.85 -0.88 -0.25 115.31 122.47 2b1j h LEU 68 Ca 0.10 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2b1j h LEU 68 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2b1j h LEU 68 CO 0.02 0.75 0.10 0.25 -0.34 0.00 0.00 178.44 179.21 2b1j h LEU 69 N 0.28 0.27 -1.00 2.25 5.85 -0.58 0.89 115.31 123.28 2b1j h LEU 69 Ca 0.07 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2b1j h LEU 69 Cb 0.51 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2b1j h LEU 69 CO 0.02 0.33 0.42 0.11 -0.34 0.00 0.00 178.44 178.98 2b1j h LYS 70 N 0.20 1.13 -0.58 1.25 1.57 -0.79 -0.44 116.57 118.92 2b1j h LYS 70 Ca 0.07 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 2b1j h LYS 70 Cb 0.13 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2b1j h LYS 70 CO -0.01 0.84 -0.04 1.15 -0.57 0.00 0.00 179.45 180.83 2b1j h THR 71 N 1.13 1.27 -0.15 -0.16 2.02 -0.54 -2.08 112.91 114.39 2b1j h THR 71 Ca 0.28 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 2b1j h THR 71 Cb 0.05 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2b1j h THR 71 CO -0.04 0.43 0.02 0.40 0.37 0.00 0.00 175.52 176.69 2b1j h ILE 72 N 0.93 1.23 0.00 3.11 2.04 -0.43 -2.49 117.51 121.90 2b1j h ILE 72 Ca 0.16 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2b1j h ILE 72 Cb 0.60 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2b1j h ILE 72 CO 0.04 0.22 -0.06 0.03 0.00 0.00 0.00 178.15 178.38 2b1j h ARG 73 N 0.03 0.00 0.00 2.37 2.47 -0.95 -2.17 114.38 116.13 2b1j h ARG 73 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2b1j h ARG 73 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2b1j h ARG 73 CO 0.00 0.06 -0.95 0.00 0.56 0.00 0.00 179.97 179.64 2b1j n ALA 74 N -2.25 2.68 -2.71 0.04 0.00 -0.80 -4.64 120.51 112.84 2b1j n ALA 74 Ca -0.02 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 2b1j n ALA 74 Cb 0.17 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 2b1j n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2b1j s ASP 75 N -5.01 7.22 0.17 0.00 -1.08 -0.86 -4.95 116.67 112.15 2b1j s ASP 75 Ca 0.01 1.48 -0.15 0.00 -0.52 0.00 0.00 52.55 53.37 2b1j s ASP 75 Cb 0.11 -2.52 0.12 0.00 -1.46 0.00 0.00 42.92 39.16 2b1j s ASP 75 CO 0.78 -0.26 1.73 1.23 0.52 0.00 0.00 175.17 179.17 2b1j h GLY 76 N 7.08 0.49 1.71 2.66 0.00 -1.88 0.42 103.07 113.54 2b1j h GLY 76 Ca -0.39 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 2b1j h GLY 76 CO 0.77 -0.04 -0.49 0.00 0.00 0.00 0.00 176.54 176.78 2b1j h ALA 77 N 1.31 0.94 0.00 3.60 0.00 -1.92 -3.26 119.26 119.93 2b1j h ALA 77 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2b1j h ALA 77 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2b1j h ALA 77 CO -0.26 0.66 -1.33 -1.33 0.00 0.00 0.00 179.25 176.99 2b1j n MET 78 N -3.96 0.42 -0.16 0.00 2.81 -1.09 -4.65 117.12 110.49 2b1j n MET 78 Ca -0.02 -0.05 0.07 0.00 -1.81 0.00 0.00 57.70 55.89 2b1j n MET 78 Cb 0.55 -1.60 0.14 0.00 -0.71 0.00 0.00 33.22 31.60 2b1j n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2b1j n SER 79 N -2.12 -0.06 -0.58 7.83 2.88 0.14 0.43 113.62 122.15 2b1j n SER 79 Ca -0.00 0.79 0.11 0.00 -1.33 0.00 0.00 58.87 58.43 2b1j n SER 79 Cb 0.48 -0.29 0.37 0.00 -0.75 0.00 0.00 64.21 64.03 2b1j n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b1j n ALA 80 N -3.43 2.52 -1.82 -1.46 0.00 -1.26 -4.61 120.51 110.44 2b1j n ALA 80 Ca 0.11 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 2b1j n ALA 80 Cb 0.35 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2b1j n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2b1j s LEU 81 N -1.58 4.39 0.28 0.00 2.96 0.17 -4.94 118.68 119.96 2b1j s LEU 81 Ca 0.33 2.55 -0.29 0.00 -0.22 0.00 0.00 54.13 56.49 2b1j s LEU 81 Cb 0.18 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.22 2b1j s LEU 81 CO 0.27 -0.97 1.41 -2.84 -1.32 0.00 0.00 176.35 172.90 2b1j s PRO 82 N 3.50 4.27 -0.12 0.98 0.02 -1.26 -4.91 135.00 137.48 2b1j s PRO 82 Ca 0.80 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 64.11 2b1j s PRO 82 Cb -0.41 -3.08 0.04 0.00 0.02 0.00 0.00 34.50 31.07 2b1j s PRO 82 CO 0.35 -0.37 -0.02 0.08 -0.33 0.00 0.00 177.00 176.71 2b1j s VAL 83 N -0.42 0.70 -0.30 3.83 1.01 -1.26 -1.44 120.40 122.51 2b1j s VAL 83 Ca 0.56 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2b1j s VAL 83 Cb -0.42 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2b1j s VAL 83 CO 0.48 0.18 0.14 -0.22 0.00 0.00 0.00 175.10 175.67 2b1j s LEU 84 N 1.82 4.01 0.11 3.92 2.96 0.50 -0.56 118.68 131.44 2b1j s LEU 84 Ca 0.03 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 2b1j s LEU 84 Cb -0.14 -1.98 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 2b1j s LEU 84 CO -0.07 -0.18 1.06 -0.04 -1.32 0.00 0.00 176.35 175.80 2b1j s MET 85 N 1.60 4.59 -0.28 1.98 -1.94 -0.78 -1.23 119.30 123.25 2b1j s MET 85 Ca 0.05 1.60 -0.01 0.00 -1.71 0.00 0.00 55.69 55.62 2b1j s MET 85 Cb -0.17 -3.35 0.09 0.00 2.01 0.00 0.00 34.83 33.41 2b1j s MET 85 CO 0.06 0.03 0.06 0.08 -0.01 0.00 0.00 175.02 175.24 2b1j s VAL 86 N 0.26 0.99 0.18 -6.03 1.01 -0.10 -0.38 120.40 116.33 2b1j s VAL 86 Ca 0.51 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2b1j s VAL 86 Cb -0.26 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2b1j s VAL 86 CO 0.31 -0.48 -0.11 0.28 0.00 0.00 0.00 175.10 175.10 2b1j s THR 87 N 1.59 1.40 0.00 3.92 -1.32 -0.66 -3.60 115.64 116.96 2b1j s THR 87 Ca 0.05 -2.12 0.00 0.00 -1.21 0.00 0.00 61.69 58.41 2b1j s THR 87 Cb -0.18 -1.97 0.00 0.00 -1.51 0.00 0.00 72.50 68.85 2b1j s THR 87 CO -0.18 -0.66 0.04 0.00 -2.21 0.00 0.00 174.62 171.61 2b1j n ALA 88 N -0.29 0.00 -1.77 11.08 0.00 -1.26 -1.00 120.51 127.27 2b1j n ALA 88 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 2b1j n ALA 88 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 2b1j n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2b1j s GLU 89 N -0.07 4.05 -0.57 0.00 -6.30 -1.26 -4.22 118.70 110.33 2b1j s GLU 89 Ca 0.00 2.00 -0.01 0.00 -2.50 0.00 0.00 54.97 54.47 2b1j s GLU 89 Cb 0.00 -2.76 0.15 0.00 0.00 0.00 0.00 34.13 31.52 2b1j s GLU 89 CO 0.00 -0.37 0.35 0.00 0.02 0.00 0.00 175.26 175.27 2b1j s ALA 90 N -1.32 3.44 0.14 6.30 0.00 -1.26 -5.05 121.76 124.01 2b1j s ALA 90 Ca 0.56 -3.19 -0.25 0.00 0.00 0.00 0.00 51.96 49.08 2b1j s ALA 90 Cb -0.35 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 2b1j s ALA 90 CO 0.44 -2.04 0.77 0.21 0.00 0.00 0.00 175.76 175.14 2b1j s LYS 91 N -0.01 4.54 0.41 0.00 2.20 -1.26 -4.97 119.74 120.65 2b1j s LYS 91 Ca 0.16 1.12 0.12 0.00 -0.36 0.00 0.00 55.97 57.01 2b1j s LYS 91 Cb -0.22 -3.28 0.95 0.00 -1.51 0.00 0.00 37.83 33.77 2b1j s LYS 91 CO -0.03 0.52 1.96 -0.22 -0.36 0.00 0.00 175.35 177.22 2b1j h LYS 92 N 4.59 0.49 -0.48 4.03 3.64 -2.00 -2.44 116.57 124.39 2b1j h LYS 92 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2b1j h LYS 92 Cb 1.21 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2b1j h LYS 92 CO 0.67 0.33 0.32 0.93 -2.27 0.00 0.00 179.45 179.42 2b1j h GLU 93 N 0.51 0.64 0.24 1.90 3.07 -1.99 -1.88 114.58 117.07 2b1j h GLU 93 Ca 0.31 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 2b1j h GLU 93 Cb 0.55 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2b1j h GLU 93 CO -0.10 0.43 -0.12 -0.91 -1.40 0.00 0.00 179.01 176.91 2b1j h ASN 94 N 0.65 -0.28 -0.74 1.42 2.35 -1.85 0.34 115.58 117.47 2b1j h ASN 94 Ca 0.18 -0.09 0.16 0.00 -0.55 0.00 0.00 56.30 56.01 2b1j h ASN 94 Cb -0.06 0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 2b1j h ASN 94 CO -0.04 -0.09 0.15 0.40 -1.65 0.00 0.00 177.43 176.21 2b1j h ILE 95 N -0.46 0.48 0.07 2.81 1.08 -1.45 1.69 117.51 121.74 2b1j h ILE 95 Ca -0.03 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2b1j h ILE 95 Cb 0.35 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 2b1j h ILE 95 CO 0.06 0.04 -0.04 0.40 -0.69 0.00 0.00 178.15 177.92 2b1j h ILE 96 N 0.24 1.11 0.08 -0.67 1.08 -0.89 -0.45 117.51 118.00 2b1j h ILE 96 Ca 0.42 -0.63 0.02 0.00 -0.39 0.00 0.00 64.86 64.27 2b1j h ILE 96 Cb 0.73 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 2b1j h ILE 96 CO -0.54 0.16 -0.21 0.00 -0.69 0.00 0.00 178.15 176.87 2b1j h ALA 97 N 0.51 -0.34 -0.39 1.87 0.00 0.16 0.13 119.26 121.22 2b1j h ALA 97 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2b1j h ALA 97 Cb 0.33 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 2b1j h ALA 97 CO 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 179.25 178.41 2b1j h ALA 98 N 0.43 0.21 -0.39 0.00 0.00 0.25 0.31 119.26 120.08 2b1j h ALA 98 Ca 0.04 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2b1j h ALA 98 Cb 0.42 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2b1j h ALA 98 CO -0.14 -0.48 0.23 0.00 0.00 0.00 0.00 179.25 178.86 2b1j h ALA 99 N 1.32 0.49 -0.58 0.00 0.00 -0.73 0.12 119.26 119.88 2b1j h ALA 99 Ca 0.19 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2b1j h ALA 99 Cb 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2b1j h ALA 99 CO -0.42 -0.01 0.31 0.37 0.00 0.00 0.00 179.25 179.50 2b1j h GLN 100 N 0.51 0.57 0.00 0.00 5.75 0.28 0.05 115.11 122.27 2b1j h GLN 100 Ca 0.14 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2b1j h GLN 100 Cb -0.00 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.42 2b1j h GLN 100 CO -0.03 0.38 0.00 0.00 -2.65 0.00 0.00 178.83 176.53 2b1j n ALA 101 N -2.34 1.72 0.00 3.38 0.00 0.10 -4.89 120.51 118.48 2b1j n ALA 101 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2b1j n ALA 101 Cb 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2b1j n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b1j n GLY 102 N 0.12 1.79 3.74 0.00 0.00 0.00 -4.74 105.19 106.10 2b1j n GLY 102 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2b1j n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b1j s ALA 103 N -2.00 3.65 0.01 4.61 0.00 0.28 -4.84 121.76 123.47 2b1j s ALA 103 Ca 0.00 1.36 0.29 0.00 0.00 0.00 0.00 51.96 53.61 2b1j s ALA 103 Cb 0.00 -3.57 1.05 0.00 0.00 0.00 0.00 23.12 20.60 2b1j s ALA 103 CO 0.00 -0.77 1.87 0.77 0.00 0.00 0.00 175.76 177.63 2b1j h SER 104 N 5.07 0.00 -5.75 0.00 0.02 -1.17 -3.44 113.55 108.27 2b1j h SER 104 Ca -0.46 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 60.81 2b1j h SER 104 Cb 1.22 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.65 2b1j h SER 104 CO 0.78 0.07 0.81 -0.83 -1.14 0.00 0.00 176.83 176.52 2b1j s GLY 105 N -4.22 -0.35 -0.07 -3.77 0.00 -1.20 -4.87 107.32 92.84 2b1j s GLY 105 Ca 0.02 0.54 -0.04 0.00 0.00 0.00 0.00 44.72 45.24 2b1j s GLY 105 CO 0.59 0.94 0.17 -0.47 0.00 0.00 0.00 173.10 174.34 2b1j s TYR 106 N -2.41 -0.20 -0.01 1.90 6.14 -1.26 -1.87 117.35 119.64 2b1j s TYR 106 Ca 0.16 0.54 0.02 0.00 0.64 0.00 0.00 57.07 58.43 2b1j s TYR 106 Cb 0.04 -0.02 -0.00 0.00 0.42 0.00 0.00 41.96 42.39 2b1j s TYR 106 CO -0.03 -0.16 -0.05 0.08 0.64 0.00 0.00 175.55 176.03 2b1j s VAL 107 N 0.94 0.41 -0.26 3.14 1.01 0.49 -4.97 120.40 121.17 2b1j s VAL 107 Ca -0.07 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 2b1j s VAL 107 Cb -0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2b1j s VAL 107 CO -0.05 0.12 0.35 -0.69 0.00 0.00 0.00 175.10 174.83 2b1j s VAL 108 N -0.03 5.20 0.38 2.92 1.01 -1.26 -1.66 120.40 126.97 2b1j s VAL 108 Ca 0.01 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 2b1j s VAL 108 Cb -0.03 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 2b1j s VAL 108 CO -0.00 0.18 0.86 -1.59 0.00 0.00 0.00 175.10 174.55 2b1j s LYS 109 N 1.92 4.14 0.36 2.72 -2.85 -0.17 -3.93 119.74 121.93 2b1j s LYS 109 Ca 0.14 0.93 -0.25 0.00 -1.00 0.00 0.00 55.97 55.79 2b1j s LYS 109 Cb -0.16 -2.29 -0.09 0.00 -2.06 0.00 0.00 37.83 33.23 2b1j s LYS 109 CO 0.10 0.05 1.04 -1.25 0.10 0.00 0.00 175.35 175.39 2b1j s PRO 110 N -3.09 4.32 0.11 1.78 0.04 -1.26 -4.46 135.00 132.45 2b1j s PRO 110 Ca 0.59 1.54 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2b1j s PRO 110 Cb -0.10 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 2b1j s PRO 110 CO 0.15 -0.01 -0.08 -0.59 0.04 0.00 0.00 177.00 176.51 2b1j s PHE 111 N -1.55 1.03 0.33 0.56 -0.12 -1.25 -5.16 117.98 111.81 2b1j s PHE 111 Ca 0.54 -0.81 0.05 0.00 -0.05 0.00 0.00 56.93 56.66 2b1j s PHE 111 Cb -0.23 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.58 2b1j s PHE 111 CO 0.30 -0.05 0.48 0.95 -0.05 0.00 0.00 175.22 176.84 2b1j s THR 112 N -3.29 4.42 0.55 -4.49 -4.23 -1.26 -4.96 115.64 102.38 2b1j s THR 112 Ca 0.12 -0.90 0.22 0.00 -1.18 0.00 0.00 61.69 59.96 2b1j s THR 112 Cb 0.03 -3.56 0.31 0.00 1.34 0.00 0.00 72.50 70.62 2b1j s THR 112 CO -0.02 -0.25 2.19 0.00 -0.54 0.00 0.00 174.62 176.00 2b1j h ALA 113 N 0.88 1.82 0.68 3.99 0.00 -1.99 -0.76 119.26 123.89 2b1j h ALA 113 Ca -0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2b1j h ALA 113 Cb 1.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2b1j h ALA 113 CO 0.56 -0.03 -0.33 0.00 0.00 0.00 0.00 179.25 179.45 2b1j h ALA 114 N 1.98 -0.91 -0.72 0.00 0.00 -1.97 0.14 119.26 117.77 2b1j h ALA 114 Ca 0.01 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2b1j h ALA 114 Cb 0.05 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2b1j h ALA 114 CO -0.00 -0.95 0.40 1.15 0.00 0.00 0.00 179.25 179.84 2b1j h THR 115 N -1.03 0.93 0.12 0.00 2.02 -1.73 -0.50 112.91 112.71 2b1j h THR 115 Ca -0.09 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2b1j h THR 115 Cb 0.73 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2b1j h THR 115 CO 0.15 0.13 -0.06 0.25 0.37 0.00 0.00 175.52 176.37 2b1j h LEU 116 N 0.70 -0.13 -0.65 2.58 5.85 -1.09 -1.65 115.31 120.92 2b1j h LEU 116 Ca 0.34 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.10 2b1j h LEU 116 Cb 0.27 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 2b1j h LEU 116 CO -0.22 -0.01 0.20 -0.08 -0.34 0.00 0.00 178.44 177.99 2b1j h GLU 117 N -0.25 0.33 0.57 1.25 4.81 -0.17 0.34 114.58 121.47 2b1j h GLU 117 Ca -0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2b1j h GLU 117 Cb 0.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2b1j h GLU 117 CO 0.03 0.22 -0.46 1.49 -0.73 0.00 0.00 179.01 179.56 2b1j h GLU 118 N 0.34 -0.97 -0.47 1.92 4.81 -0.85 0.63 114.58 119.99 2b1j h GLU 118 Ca 0.34 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.70 2b1j h GLU 118 Cb 0.50 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 2b1j h GLU 118 CO -0.39 -0.64 0.17 0.87 -0.73 0.00 0.00 179.01 178.29 2b1j h LYS 119 N -1.00 0.33 -0.76 1.92 1.79 -0.65 -1.04 116.57 117.15 2b1j h LYS 119 Ca -0.07 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2b1j h LYS 119 Cb 0.85 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.39 2b1j h LYS 119 CO 0.00 0.22 0.46 -0.07 -1.08 0.00 0.00 179.45 178.98 2b1j h LEU 120 N 0.34 0.92 -0.06 2.94 3.38 -0.20 -2.26 115.31 120.37 2b1j h LEU 120 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2b1j h LEU 120 Cb 0.23 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2b1j h LEU 120 CO -0.23 0.71 0.04 0.78 0.09 0.00 0.00 178.44 179.83 2b1j h ASN 121 N 1.05 0.07 -0.25 -0.43 2.35 -0.04 0.87 115.58 119.21 2b1j h ASN 121 Ca 0.27 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2b1j h ASN 121 Cb -0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2b1j h ASN 121 CO -0.05 0.08 0.14 0.50 -1.65 0.00 0.00 177.43 176.44 2b1j h LYS 122 N 0.06 0.37 0.01 0.81 3.64 -1.04 0.33 116.57 120.75 2b1j h LYS 122 Ca 0.02 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2b1j h LYS 122 Cb 0.02 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2b1j h LYS 122 CO -0.00 0.29 -0.69 0.82 -2.27 0.00 0.00 179.45 177.59 2b1j h ILE 123 N 0.38 1.41 -0.51 2.00 2.04 -1.02 0.80 117.51 122.60 2b1j h ILE 123 Ca 0.10 -2.14 0.02 0.00 1.00 0.00 0.00 64.86 63.84 2b1j h ILE 123 Cb 0.03 2.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2b1j h ILE 123 CO -0.01 0.63 0.34 -0.26 0.00 0.00 0.00 178.15 178.84 2b1j h PHE 124 N -0.04 0.61 0.30 1.37 0.04 -0.40 -1.75 116.94 117.07 2b1j h PHE 124 Ca -0.09 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 2b1j h PHE 124 Cb 1.40 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2b1j h PHE 124 CO 0.14 0.37 -0.14 1.49 -0.60 0.00 0.00 178.31 179.57 2b1j h GLU 125 N 0.65 -0.39 -1.41 1.51 4.81 -0.87 -2.19 114.58 116.69 2b1j h GLU 125 Ca 0.20 0.03 0.42 0.00 -0.13 0.00 0.00 59.36 59.87 2b1j h GLU 125 Cb -0.01 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.37 2b1j h GLU 125 CO -0.05 -0.26 0.97 -0.22 -0.73 0.00 0.00 179.01 178.72 2b1j h LYS 126 N -0.77 0.08 0.00 1.92 1.63 -0.74 -3.35 116.57 115.34 2b1j h LYS 126 Ca -0.04 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2b1j h LYS 126 Cb 0.31 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2b1j h LYS 126 CO 0.07 0.05 0.00 1.28 -3.45 0.00 0.00 179.45 177.40 2b1j n LEU 127 N -4.35 0.00 0.00 5.20 4.32 -0.67 -5.09 117.00 116.41 2b1j n LEU 127 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 2b1j n LEU 127 Cb 1.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 43.24 2b1j n LEU 127 CO 0.33 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 2b1j n GLY 128 N 5.00 0.00 0.00 -0.72 0.00 -0.83 -5.04 105.19 103.60 2b1j n GLY 128 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b1j n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35