#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm n ALA 2 N 0.00 -0.08 -2.43 3.17 0.00 -1.26 -5.18 120.51 114.74 1djm n ALA 2 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 53.44 52.76 1djm n ALA 2 Cb 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 1djm n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djm s ASP 3 N -1.61 2.99 0.59 0.00 1.01 -1.26 -5.02 116.67 113.37 1djm s ASP 3 Ca 0.08 -0.94 0.33 0.00 0.71 0.00 0.00 52.55 52.73 1djm s ASP 3 Cb -0.00 -0.20 1.84 0.00 1.01 0.00 0.00 42.92 45.56 1djm s ASP 3 CO 0.06 -0.03 2.21 0.11 0.21 0.00 0.00 175.17 177.73 1djm h LYS 4 N 2.83 0.00 -6.39 8.23 1.57 -2.03 -3.47 116.57 117.32 1djm h LYS 4 Ca -0.41 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.90 1djm h LYS 4 Cb 1.22 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.60 1djm h LYS 4 CO 0.55 0.04 -0.95 0.39 -0.57 0.00 0.00 179.45 178.91 1djm n GLU 5 N -3.52 -0.99 -1.30 3.15 1.02 -1.26 -4.77 120.64 112.96 1djm n GLU 5 Ca -0.02 0.39 -0.57 0.00 -0.02 0.00 0.00 57.16 56.94 1djm n GLU 5 Cb 0.15 -3.73 -0.12 0.00 -0.02 0.00 0.00 31.44 27.72 1djm n GLU 5 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1djm n LEU 6 N -4.32 0.88 -4.81 -4.62 0.00 -1.26 -4.91 117.00 97.96 1djm n LEU 6 Ca -0.10 0.58 -0.34 0.00 0.00 0.00 0.00 56.01 56.15 1djm n LEU 6 Cb 0.58 -0.95 -0.07 0.00 0.00 0.00 0.00 43.42 42.98 1djm n LEU 6 CO 0.69 -0.77 0.62 -0.54 0.00 0.00 0.00 177.39 177.39 1djm s LYS 7 N 6.37 4.28 0.26 1.96 3.01 -1.26 -4.94 119.74 129.42 1djm s LYS 7 Ca 1.20 1.11 -0.06 0.00 -1.01 0.00 0.00 55.97 57.20 1djm s LYS 7 Cb -1.38 -2.36 -0.06 0.00 -1.01 0.00 0.00 37.83 33.02 1djm s LYS 7 CO 0.62 0.07 0.54 -0.06 0.51 0.00 0.00 175.35 177.03 1djm s PHE 8 N -2.02 3.46 -0.10 3.18 0.40 -1.22 -3.33 117.98 118.36 1djm s PHE 8 Ca 0.58 0.71 0.01 0.00 -0.60 0.00 0.00 56.93 57.63 1djm s PHE 8 Cb -0.11 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 1djm s PHE 8 CO 0.16 0.22 -0.12 -1.17 0.70 0.00 0.00 175.22 175.01 1djm s LEU 9 N -3.26 2.83 -0.23 -0.37 2.96 -0.44 -0.64 118.68 119.54 1djm s LEU 9 Ca 0.45 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1djm s LEU 9 Cb -0.11 -1.62 0.07 0.00 0.50 0.00 0.00 46.19 45.03 1djm s LEU 9 CO 0.27 0.25 0.01 -0.69 -1.32 0.00 0.00 176.35 174.87 1djm s VAL 10 N -0.16 0.95 -0.57 1.68 1.01 -0.17 -0.65 120.40 122.49 1djm s VAL 10 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1djm s VAL 10 Cb -0.13 -1.42 0.25 0.00 0.00 0.00 0.00 36.38 35.08 1djm s VAL 10 CO 0.03 -0.25 0.69 0.52 0.00 0.00 0.00 175.10 176.09 1djm n VAL 11 N 4.87 1.57 -1.88 2.92 0.31 -0.10 -3.99 118.33 122.03 1djm n VAL 11 Ca -0.09 -4.91 -0.32 0.00 -0.01 0.00 0.00 64.34 59.01 1djm n VAL 11 Cb 0.45 -2.05 0.02 0.00 -0.91 0.00 0.00 33.84 31.35 1djm n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1djm s ASP 12 N -2.16 5.69 0.01 4.52 1.01 -1.26 -1.62 116.67 122.86 1djm s ASP 12 Ca 0.39 1.71 -0.25 0.00 0.71 0.00 0.00 52.55 55.11 1djm s ASP 12 Cb 0.16 -2.52 -0.16 0.00 1.01 0.00 0.00 42.92 41.41 1djm s ASP 12 CO -0.04 -1.23 1.19 -0.78 0.21 0.00 0.00 175.17 174.52 1djm h ASP 13 N 0.00 -0.41 -2.83 0.27 3.58 -1.88 -3.40 116.42 111.76 1djm h ASP 13 Ca -0.46 -0.15 -0.56 0.00 0.42 0.00 0.00 57.03 56.28 1djm h ASP 13 Cb 1.21 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.34 1djm h ASP 13 CO 0.57 -0.03 1.08 0.12 -2.88 0.00 0.00 179.24 178.10 1djm s PHE 14 N -4.58 2.25 0.17 0.28 5.36 -1.26 -4.91 117.98 115.29 1djm s PHE 14 Ca -0.14 0.60 -0.15 0.00 -0.96 0.00 0.00 56.93 56.28 1djm s PHE 14 Cb 0.02 -3.92 0.12 0.00 -0.34 0.00 0.00 43.02 38.90 1djm s PHE 14 CO 0.52 -2.72 1.71 0.77 -1.46 0.00 0.00 175.22 174.04 1djm h SER 15 N 10.17 -0.09 0.19 6.13 0.02 -1.99 0.52 113.55 128.49 1djm h SER 15 Ca -0.32 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1djm h SER 15 Cb 1.14 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1djm h SER 15 CO 1.00 -0.01 -0.08 0.74 -1.14 0.00 0.00 176.83 177.34 1djm h THR 16 N 0.15 0.66 -0.15 -2.27 2.02 -1.95 -1.18 112.91 110.19 1djm h THR 16 Ca 0.20 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1djm h THR 16 Cb 0.28 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1djm h THR 16 CO -0.31 0.08 0.11 -0.03 0.37 0.00 0.00 175.52 175.74 1djm h MET 17 N 0.00 0.00 -0.03 6.66 4.05 -1.27 -0.23 114.93 124.11 1djm h MET 17 Ca -0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1djm h MET 17 Cb 0.19 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1djm h MET 17 CO 0.01 0.00 -0.51 0.00 0.23 0.00 0.00 176.91 176.64 1djm h ARG 18 N 0.00 0.07 0.12 0.39 3.08 -1.26 0.33 114.38 117.11 1djm h ARG 18 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1djm h ARG 18 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1djm h ARG 18 CO -0.00 0.57 -0.06 0.00 -1.07 0.00 0.00 179.97 179.41 1djm h ARG 19 N 0.06 -0.15 0.65 0.04 2.47 -1.17 -1.09 114.38 115.19 1djm h ARG 19 Ca -0.00 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1djm h ARG 19 Cb 0.93 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 1djm h ARG 19 CO 0.07 -0.03 -0.49 0.82 0.56 0.00 0.00 179.97 180.90 1djm h ILE 20 N -0.23 0.00 -0.36 2.04 5.03 -0.27 0.17 117.51 123.89 1djm h ILE 20 Ca -0.02 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.80 1djm h ILE 20 Cb 0.18 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.89 1djm h ILE 20 CO 0.03 0.00 -0.24 0.58 -0.68 0.00 0.00 178.15 177.83 1djm h VAL 21 N -1.10 0.36 -0.36 1.67 2.07 -0.53 -0.99 116.25 117.36 1djm h VAL 21 Ca -0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1djm h VAL 21 Cb 0.91 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1djm h VAL 21 CO 0.03 0.00 0.11 -0.09 0.02 0.00 0.00 177.57 177.64 1djm h ARG 22 N -0.19 0.24 -0.55 1.57 2.43 -0.91 0.17 114.38 117.14 1djm h ARG 22 Ca 0.18 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1djm h ARG 22 Cb 0.47 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1djm h ARG 22 CO -0.47 0.16 0.34 -0.91 -1.51 0.00 0.00 179.97 177.58 1djm h ASN 23 N 0.25 0.57 -0.31 -3.80 2.35 0.08 0.22 115.58 114.95 1djm h ASN 23 Ca 0.17 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1djm h ASN 23 Cb 0.16 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1djm h ASN 23 CO -0.19 0.40 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.80 1djm h LEU 24 N 0.69 0.73 0.32 1.61 3.38 -0.81 -1.19 115.31 120.04 1djm h LEU 24 Ca 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1djm h LEU 24 Cb -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1djm h LEU 24 CO -0.08 0.88 -0.18 -0.07 0.09 0.00 0.00 178.44 179.08 1djm h LEU 25 N 0.67 -0.45 -1.97 1.67 3.38 -0.35 -3.33 115.31 114.93 1djm h LEU 25 Ca 0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1djm h LEU 25 Cb 0.60 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1djm h LEU 25 CO 0.04 -0.29 -0.11 0.07 0.09 0.00 0.00 178.44 178.24 1djm h LYS 26 N -0.47 0.00 0.00 1.13 5.09 -0.50 0.50 116.57 122.32 1djm h LYS 26 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 1djm h LYS 26 Cb 0.37 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.70 1djm h LYS 26 CO 0.06 0.11 0.00 1.05 -2.09 0.00 0.00 179.45 178.57 1djm h GLU 27 N 0.00 0.00 0.00 0.07 4.11 -1.32 -3.12 114.58 114.32 1djm h GLU 27 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1djm h GLU 27 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1djm h GLU 27 CO 0.01 0.00 -0.29 1.47 0.07 0.00 0.00 179.01 180.27 1djm n LEU 28 N -2.31 0.00 0.00 3.06 -0.00 -0.74 -5.12 117.00 111.89 1djm n LEU 28 Ca -0.01 -0.92 0.00 0.00 -0.00 0.00 0.00 56.01 55.08 1djm n LEU 28 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1djm n LEU 28 CO 0.13 0.48 0.00 0.61 -0.00 0.00 0.00 177.39 178.61 1djm n GLY 29 N 0.00 1.63 3.68 1.47 0.00 0.09 -5.08 105.19 106.98 1djm n GLY 29 Ca 0.00 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.64 1djm n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1djm n PHE 30 N 0.00 2.44 1.03 1.61 3.01 -1.26 -4.23 117.46 120.06 1djm n PHE 30 Ca 0.00 -0.07 0.09 0.00 1.01 0.00 0.00 57.45 58.48 1djm n PHE 30 Cb 0.00 -2.69 0.51 0.00 -0.01 0.00 0.00 39.48 37.29 1djm n PHE 30 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1djm n ASN 31 N 5.94 0.00 -4.24 4.37 4.13 -1.26 -3.92 115.26 120.28 1djm n ASN 31 Ca 0.20 -0.27 -0.32 0.00 1.68 0.00 0.00 54.58 55.87 1djm n ASN 31 Cb 0.34 -0.15 -0.16 0.00 -1.54 0.00 0.00 39.78 38.26 1djm n ASN 31 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1djm s ASN 32 N -2.31 3.29 0.17 6.41 -0.87 -1.26 -5.00 114.94 115.37 1djm s ASN 32 Ca 0.23 -0.53 -0.08 0.00 -1.57 0.00 0.00 52.86 50.91 1djm s ASN 32 Cb 0.13 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.25 39.88 1djm s ASN 32 CO 0.25 0.14 0.27 0.68 -2.57 0.00 0.00 177.10 175.87 1djm s VAL 33 N 0.49 0.06 0.22 1.60 -7.23 -1.26 -3.37 120.40 110.91 1djm s VAL 33 Ca -0.14 -1.46 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 1djm s VAL 33 Cb -0.17 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 1djm s VAL 33 CO 0.05 -0.29 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.83 1djm s GLU 34 N -3.98 1.35 -0.10 4.82 0.41 0.18 -4.86 118.70 116.52 1djm s GLU 34 Ca 0.19 -1.62 0.02 0.00 -0.41 0.00 0.00 54.97 53.15 1djm s GLU 34 Cb 0.04 -1.06 0.01 0.00 -1.78 0.00 0.00 34.13 31.34 1djm s GLU 34 CO 0.01 0.13 -0.15 -1.21 -0.49 0.00 0.00 175.26 173.55 1djm s GLU 35 N -3.68 2.16 0.81 1.61 2.02 -1.26 -1.00 118.70 119.36 1djm s GLU 35 Ca 0.24 -0.55 -0.10 0.00 0.02 0.00 0.00 54.97 54.57 1djm s GLU 35 Cb 0.01 -1.80 0.12 0.00 0.10 0.00 0.00 34.13 32.56 1djm s GLU 35 CO 0.07 -0.01 1.15 0.00 0.02 0.00 0.00 175.26 176.49 1djm s ALA 36 N 0.83 2.84 0.04 5.21 0.00 -1.26 -4.99 121.76 124.43 1djm s ALA 36 Ca -0.10 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.56 1djm s ALA 36 Cb -0.15 -2.63 -0.14 0.00 0.00 0.00 0.00 23.12 20.19 1djm s ALA 36 CO 0.01 -1.78 1.35 0.93 0.00 0.00 0.00 175.76 176.27 1djm h GLU 37 N -1.03 0.34 -2.39 0.00 5.08 -1.96 -3.47 114.58 111.15 1djm h GLU 37 Ca -0.43 -0.17 0.18 0.00 -1.00 0.00 0.00 59.36 57.93 1djm h GLU 37 Cb 1.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1djm h GLU 37 CO 0.51 0.71 0.57 0.16 -1.00 0.00 0.00 179.01 179.96 1djm s ASP 38 N -6.08 -0.06 0.28 1.42 -4.77 -1.26 -5.00 116.67 101.19 1djm s ASP 38 Ca -0.14 -0.55 0.02 0.00 -3.30 0.00 0.00 52.55 48.58 1djm s ASP 38 Cb 0.05 0.47 0.65 0.00 -1.09 0.00 0.00 42.92 43.01 1djm s ASP 38 CO 0.75 -0.91 1.70 1.23 0.70 0.00 0.00 175.17 178.64 1djm h GLY 39 N 2.00 1.42 0.86 2.12 0.00 -1.83 0.39 103.07 108.04 1djm h GLY 39 Ca -0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1djm h GLY 39 CO 0.32 -0.22 -0.09 -2.08 0.00 0.00 0.00 176.54 174.47 1djm h VAL 40 N 0.41 0.88 0.00 4.60 2.07 -1.84 -1.74 116.25 120.63 1djm h VAL 40 Ca 0.52 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1djm h VAL 40 Cb 0.94 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1djm h VAL 40 CO -0.50 0.07 -0.05 -0.78 0.02 0.00 0.00 177.57 176.33 1djm h ASP 41 N -0.38 0.00 -0.13 0.57 3.58 -1.74 -1.57 116.42 116.75 1djm h ASP 41 Ca -0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1djm h ASP 41 Cb 0.30 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 1djm h ASP 41 CO 0.04 0.05 -0.05 0.00 -2.88 0.00 0.00 179.24 176.40 1djm h ALA 42 N 1.95 0.18 -0.44 -0.78 0.00 0.30 0.30 119.26 120.77 1djm h ALA 42 Ca -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1djm h ALA 42 Cb 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1djm h ALA 42 CO 0.01 -0.05 0.25 1.25 0.00 0.00 0.00 179.25 180.71 1djm h LEU 43 N -0.07 0.40 -0.52 0.00 5.85 -0.77 0.27 115.31 120.47 1djm h LEU 43 Ca 0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1djm h LEU 43 Cb 0.50 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1djm h LEU 43 CO 0.02 0.29 0.33 -1.13 -0.34 0.00 0.00 178.44 177.60 1djm h ASN 44 N 0.51 0.60 -0.87 1.25 -1.24 -1.15 -1.56 115.58 113.11 1djm h ASN 44 Ca 0.18 -0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.18 1djm h ASN 44 Cb 0.03 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 38.88 1djm h ASN 44 CO -0.09 0.45 0.57 0.11 -1.29 0.00 0.00 177.43 177.18 1djm h LYS 45 N 0.69 1.11 -0.63 6.67 1.79 -0.16 -1.54 116.57 124.50 1djm h LYS 45 Ca 0.19 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1djm h LYS 45 Cb -0.05 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.31 1djm h LYS 45 CO -0.04 0.74 0.40 -0.07 -1.08 0.00 0.00 179.45 179.40 1djm h LEU 46 N 1.15 0.67 0.00 2.94 -0.00 -0.02 -0.11 115.31 119.93 1djm h LEU 46 Ca 0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1djm h LEU 46 Cb -0.07 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 1djm h LEU 46 CO -0.09 0.47 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 1djm n GLN 47 N -4.69 0.91 -0.06 1.13 10.64 -0.68 -3.75 117.38 120.89 1djm n GLN 47 Ca 0.06 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.33 1djm n GLN 47 Cb 0.06 -1.50 0.42 0.00 -0.86 0.00 0.00 30.24 28.36 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1djm n ALA 48 N -1.01 2.55 0.00 2.61 0.00 -0.05 -5.00 120.51 119.60 1djm n ALA 48 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1djm n ALA 48 Cb 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1djm n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djm n GLY 49 N 1.02 -1.37 3.53 0.00 0.00 -1.25 -5.01 105.19 102.12 1djm n GLY 49 Ca 0.15 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1djm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djm n GLY 50 N -0.27 2.52 3.81 -0.02 0.00 -1.26 -4.89 105.19 105.08 1djm n GLY 50 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1djm n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djm s TYR 51 N 4.91 2.84 0.00 1.61 1.51 -1.26 -4.59 117.35 122.37 1djm s TYR 51 Ca 0.55 1.10 0.00 0.00 -1.01 0.00 0.00 57.07 57.71 1djm s TYR 51 Cb 0.04 -3.16 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 1djm s TYR 51 CO 0.08 -1.79 0.00 0.41 -1.11 0.00 0.00 175.55 173.14 1djm n GLY 52 N -2.22 0.99 3.00 0.71 0.00 -1.21 -4.99 105.19 101.47 1djm n GLY 52 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1djm n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1djm s PHE 53 N -0.02 -0.19 -0.09 1.61 2.19 -1.24 -4.59 117.98 115.65 1djm s PHE 53 Ca 0.00 0.49 -0.02 0.00 0.33 0.00 0.00 56.93 57.73 1djm s PHE 53 Cb 0.00 0.01 0.03 0.00 -1.31 0.00 0.00 43.02 41.75 1djm s PHE 53 CO 0.00 -0.13 0.01 0.08 1.83 0.00 0.00 175.22 177.01 1djm s VAL 54 N 0.62 0.36 -0.05 3.12 1.01 -1.26 -1.32 120.40 122.87 1djm s VAL 54 Ca -0.04 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1djm s VAL 54 Cb -0.06 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 1djm s VAL 54 CO -0.03 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.41 1djm s ILE 55 N 1.97 1.55 0.11 2.22 1.01 0.18 -0.81 121.20 127.42 1djm s ILE 55 Ca 0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 1djm s ILE 55 Cb -0.13 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1djm s ILE 55 CO -0.06 0.44 0.31 -0.44 0.00 0.00 0.00 174.94 175.20 1djm s SER 56 N 0.12 -0.09 0.64 3.58 0.01 -0.67 -0.93 113.70 116.37 1djm s SER 56 Ca -0.07 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 56.62 1djm s SER 56 Cb -0.13 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.49 1djm s SER 56 CO 0.03 -0.79 1.05 -0.62 0.41 0.00 0.00 173.24 173.32 1djm s ASP 57 N -2.78 5.74 0.04 2.44 -1.08 -0.64 -1.20 116.67 119.20 1djm s ASP 57 Ca 0.03 1.64 -0.21 0.00 -0.52 0.00 0.00 52.55 53.49 1djm s ASP 57 Cb 0.03 -2.50 -0.14 0.00 -1.46 0.00 0.00 42.92 38.85 1djm s ASP 57 CO -0.11 -1.20 1.41 -0.25 0.52 0.00 0.00 175.17 175.54 1djm h TRP 58 N -0.17 0.33 -0.09 -5.34 2.91 -1.92 -3.34 115.95 108.33 1djm h TRP 58 Ca -0.45 -0.08 -0.63 0.00 1.13 0.00 0.00 58.89 58.86 1djm h TRP 58 Cb 1.21 -0.08 0.01 0.00 -0.51 0.00 0.00 29.16 29.79 1djm h TRP 58 CO 0.62 0.60 3.37 0.09 -1.03 0.00 0.00 178.44 182.09 1djm n ASN 59 N -4.67 8.41 -4.94 2.65 3.02 -1.26 -0.75 115.26 117.72 1djm n ASN 59 Ca -0.06 -2.61 -0.24 0.00 -0.03 0.00 0.00 54.58 51.64 1djm n ASN 59 Cb 0.28 -1.53 -0.01 0.00 -0.61 0.00 0.00 39.78 37.91 1djm n ASN 59 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1djm s MET 60 N 1.80 3.49 0.74 3.52 -1.94 -1.26 -4.80 119.30 120.84 1djm s MET 60 Ca 0.69 -0.27 -0.11 0.00 -1.71 0.00 0.00 55.69 54.29 1djm s MET 60 Cb 0.19 -2.62 0.04 0.00 2.01 0.00 0.00 34.83 34.44 1djm s MET 60 CO -0.06 0.10 1.08 -1.25 -0.01 0.00 0.00 175.02 174.88 1djm s PRO 61 N -4.37 2.56 1.07 2.03 0.04 -1.26 -4.31 135.00 130.75 1djm s PRO 61 Ca 0.41 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1djm s PRO 61 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1djm s PRO 61 CO 0.37 -1.32 0.00 -1.71 0.04 0.00 0.00 177.00 174.38 1djm n ASN 62 N -3.25 0.00 -4.54 6.66 2.85 -1.26 -3.50 115.26 112.22 1djm n ASN 62 Ca 0.07 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.12 1djm n ASN 62 Cb 0.55 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.55 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1djm s MET 63 N 0.00 3.74 0.76 1.20 1.75 -1.26 -5.02 119.30 120.47 1djm s MET 63 Ca 0.00 -1.56 -0.16 0.00 -1.25 0.00 0.00 55.69 52.72 1djm s MET 63 Cb 0.00 -5.33 -0.03 0.00 2.84 0.00 0.00 34.83 32.31 1djm s MET 63 CO 0.00 -2.13 0.48 -3.47 -0.65 0.00 0.00 175.02 169.25 1djm n ASP 64 N 8.19 -1.44 0.07 1.11 -0.08 -1.23 -4.27 116.55 118.91 1djm n ASP 64 Ca 0.36 0.54 0.07 0.00 -1.51 0.00 0.00 54.79 54.26 1djm n ASP 64 Cb 0.49 -1.20 0.52 0.00 2.34 0.00 0.00 41.12 43.27 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1djm h GLY 65 N -0.57 0.35 1.69 0.27 0.00 -1.06 0.54 103.07 104.29 1djm h GLY 65 Ca -0.45 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 1djm h GLY 65 CO 0.41 0.11 -0.50 -2.00 0.00 0.00 0.00 176.54 174.56 1djm h LEU 66 N 0.32 0.36 -0.51 3.11 7.12 -1.87 -1.78 115.31 122.06 1djm h LEU 66 Ca 0.12 -0.18 -0.17 0.00 0.13 0.00 0.00 57.88 57.79 1djm h LEU 66 Cb 0.11 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 1djm h LEU 66 CO -0.03 0.81 -0.62 -0.33 -0.13 0.00 0.00 178.44 178.14 1djm h GLU 67 N 0.26 0.44 0.35 1.25 4.39 -1.30 0.91 114.58 120.88 1djm h GLU 67 Ca 0.01 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1djm h GLU 67 Cb 0.98 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1djm h GLU 67 CO 0.08 0.92 -0.17 1.25 -1.16 0.00 0.00 179.01 179.94 1djm h LEU 68 N 0.32 -0.39 -0.15 1.33 5.85 -0.96 0.12 115.31 121.43 1djm h LEU 68 Ca -0.01 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1djm h LEU 68 Cb 1.17 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 1djm h LEU 68 CO 0.11 -0.27 -0.39 0.25 -0.34 0.00 0.00 178.44 177.80 1djm h LEU 69 N -0.48 -1.24 -1.51 2.25 5.85 -1.26 -1.23 115.31 117.68 1djm h LEU 69 Ca -0.05 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1djm h LEU 69 Cb 0.37 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1djm h LEU 69 CO 0.08 -0.41 -0.25 0.11 -0.34 0.00 0.00 178.44 177.63 1djm h LYS 70 N -0.45 0.00 -0.10 1.25 1.57 -0.56 0.32 116.57 118.59 1djm h LYS 70 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1djm h LYS 70 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1djm h LYS 70 CO -0.40 0.25 -0.15 1.15 -0.57 0.00 0.00 179.45 179.73 1djm h THR 71 N 0.00 1.38 -0.69 -0.16 2.02 -0.50 0.54 112.91 115.51 1djm h THR 71 Ca -0.00 -1.39 0.07 0.00 0.77 0.00 0.00 66.41 65.85 1djm h THR 71 Cb 0.51 2.06 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 1djm h THR 71 CO 0.03 0.40 0.38 0.40 0.37 0.00 0.00 175.52 177.10 1djm h ILE 72 N -0.15 0.95 0.00 3.11 2.04 -0.57 -2.47 117.51 120.42 1djm h ILE 72 Ca 0.01 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1djm h ILE 72 Cb 0.71 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1djm h ILE 72 CO 0.04 0.13 -0.26 -0.09 0.00 0.00 0.00 178.15 177.96 1djm h ARG 73 N 0.69 0.00 0.00 2.37 1.12 -0.27 -2.33 114.38 115.95 1djm h ARG 73 Ca 0.31 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.18 1djm h ARG 73 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1djm h ARG 73 CO -0.20 0.26 0.00 0.00 -3.11 0.00 0.00 179.97 176.93 1djm n ALA 74 N -2.22 2.39 -2.79 2.80 0.00 0.17 -4.46 120.51 116.40 1djm n ALA 74 Ca 0.01 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 1djm n ALA 74 Cb 0.48 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 1djm n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1djm s ASP 75 N -2.11 6.35 0.49 0.00 -1.08 -0.92 -5.01 116.67 114.40 1djm s ASP 75 Ca 0.35 0.42 0.27 0.00 -0.52 0.00 0.00 52.55 53.07 1djm s ASP 75 Cb 0.17 -2.10 1.25 0.00 -1.46 0.00 0.00 42.92 40.78 1djm s ASP 75 CO 0.30 0.30 1.96 1.23 0.52 0.00 0.00 175.17 179.49 1djm h GLY 76 N 5.70 0.00 0.00 2.66 0.00 -1.86 -2.40 103.07 107.17 1djm h GLY 76 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1djm h GLY 76 CO 0.66 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 176.76 1djm h ALA 77 N 1.85 0.00 0.00 3.60 0.00 -1.95 -3.43 119.26 119.33 1djm h ALA 77 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1djm h ALA 77 Cb 0.53 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1djm h ALA 77 CO 0.02 0.44 0.00 -1.33 0.00 0.00 0.00 179.25 178.38 1djm n MET 78 N -4.50 0.05 -0.31 0.00 2.81 -1.14 -1.73 117.12 112.30 1djm n MET 78 Ca -0.06 0.26 0.35 0.00 -1.81 0.00 0.00 57.70 56.43 1djm n MET 78 Cb 0.23 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 31.99 1djm n MET 78 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1djm h SER 79 N 0.00 0.00 0.60 7.83 0.87 -0.99 0.56 113.55 122.42 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1djm h SER 79 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1djm h SER 79 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1djm n ALA 80 N -2.75 1.67 -1.95 6.23 0.00 -0.71 -4.84 120.51 118.17 1djm n ALA 80 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 1djm n ALA 80 Cb 1.23 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1djm n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djm s LEU 81 N -3.59 4.39 -1.01 0.00 1.43 0.19 -4.89 118.68 115.20 1djm s LEU 81 Ca 0.06 2.55 -0.08 0.00 -1.03 0.00 0.00 54.13 55.63 1djm s LEU 81 Cb 0.09 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.56 1djm s LEU 81 CO 0.32 -0.65 3.05 -0.81 0.23 0.00 0.00 176.35 178.49 1djm n PRO 82 N 2.68 2.94 -1.41 1.29 -0.04 -1.26 -4.74 135.00 134.46 1djm n PRO 82 Ca 0.07 -1.70 -0.50 0.00 -0.04 0.00 0.00 63.50 61.33 1djm n PRO 82 Cb 0.41 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.30 1djm n PRO 82 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1djm n VAL 83 N 3.28 0.09 -3.73 0.52 0.24 -1.25 -4.21 118.33 113.27 1djm n VAL 83 Ca 0.63 -0.21 -0.37 0.00 -2.04 0.00 0.00 64.34 62.35 1djm n VAL 83 Cb 0.44 -1.31 -0.12 0.00 -1.47 0.00 0.00 33.84 31.37 1djm n VAL 83 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1djm s LEU 84 N 7.63 3.71 -0.20 1.34 2.96 0.01 -0.66 118.68 133.48 1djm s LEU 84 Ca 1.15 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 54.40 1djm s LEU 84 Cb -1.01 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 1djm s LEU 84 CO 0.51 -0.12 0.71 -0.04 -1.32 0.00 0.00 176.35 176.09 1djm s MET 85 N 1.58 4.23 -0.23 1.98 -1.94 -0.71 -1.67 119.30 122.53 1djm s MET 85 Ca 0.05 0.76 -0.02 0.00 -1.71 0.00 0.00 55.69 54.77 1djm s MET 85 Cb -0.16 -3.59 0.07 0.00 2.01 0.00 0.00 34.83 33.17 1djm s MET 85 CO 0.04 -0.30 0.04 0.08 -0.01 0.00 0.00 175.02 174.88 1djm s VAL 86 N 2.08 0.72 0.33 -6.03 1.01 -0.34 -0.58 120.40 117.59 1djm s VAL 86 Ca 0.32 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1djm s VAL 86 Cb -0.16 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1djm s VAL 86 CO 0.11 -0.34 0.39 0.28 0.00 0.00 0.00 175.10 175.54 1djm s THR 87 N 1.75 0.00 0.06 3.92 -1.32 -0.74 -3.70 115.64 115.60 1djm s THR 87 Ca 0.02 -1.76 0.09 0.00 -1.21 0.00 0.00 61.69 58.82 1djm s THR 87 Cb -0.17 -2.58 -0.18 0.00 -1.51 0.00 0.00 72.50 68.05 1djm s THR 87 CO -0.13 0.00 1.19 0.00 -2.21 0.00 0.00 174.62 173.46 1djm h ALA 88 N 2.14 0.46 -1.71 11.08 0.00 -1.95 -0.72 119.26 128.57 1djm h ALA 88 Ca -0.27 -0.95 -0.56 0.00 0.00 0.00 0.00 54.91 53.13 1djm h ALA 88 Cb 1.24 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1djm h ALA 88 CO 0.38 1.23 1.10 -1.21 0.00 0.00 0.00 179.25 180.76 1djm s GLU 89 N -2.72 3.42 0.00 0.00 0.41 -1.26 -4.47 118.70 114.08 1djm s GLU 89 Ca 0.00 0.78 0.00 0.00 -0.41 0.00 0.00 54.97 55.34 1djm s GLU 89 Cb 0.09 -4.08 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 1djm s GLU 89 CO 0.81 -1.76 0.37 0.00 -0.49 0.00 0.00 175.26 174.19 1djm n ALA 90 N 9.34 1.98 -1.56 5.21 0.00 -1.26 -4.91 120.51 129.31 1djm n ALA 90 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.14 1djm n ALA 90 Cb 0.49 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 1djm n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1djm n LYS 91 N 0.06 1.73 -0.40 0.00 3.00 -1.26 -4.87 118.16 116.42 1djm n LYS 91 Ca 0.00 0.47 -0.10 0.00 -0.00 0.00 0.00 58.31 58.69 1djm n LYS 91 Cb 0.13 -3.01 -0.08 0.00 0.00 0.00 0.00 35.03 32.06 1djm n LYS 91 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1djm h LYS 92 N 14.22 -0.02 -0.47 1.64 2.10 -2.00 0.25 116.57 132.30 1djm h LYS 92 Ca -0.37 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.39 1djm h LYS 92 Cb 1.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1djm h LYS 92 CO 0.98 -0.01 0.33 0.93 -2.00 0.00 0.00 179.45 179.67 1djm h GLU 93 N -0.02 0.13 -0.04 0.07 5.08 -1.98 -0.81 114.58 117.00 1djm h GLU 93 Ca 0.18 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.29 1djm h GLU 93 Cb 0.44 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1djm h GLU 93 CO -0.93 0.08 -0.93 -0.91 -1.00 0.00 0.00 179.01 175.32 1djm h ASN 94 N 0.13 0.81 0.39 1.42 -0.26 -0.91 0.29 115.58 117.45 1djm h ASN 94 Ca 0.22 -0.61 -0.01 0.00 -0.56 0.00 0.00 56.30 55.34 1djm h ASN 94 Cb 0.70 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1djm h ASN 94 CO -0.03 1.40 -0.31 0.40 -1.06 0.00 0.00 177.43 177.84 1djm h ILE 95 N 0.39 0.36 -0.29 2.81 5.03 -0.25 -0.53 117.51 125.02 1djm h ILE 95 Ca -0.09 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 1djm h ILE 95 Cb 1.57 0.36 -0.01 0.00 -3.03 0.00 0.00 36.82 35.70 1djm h ILE 95 CO 0.18 0.00 0.19 0.40 -0.68 0.00 0.00 178.15 178.24 1djm h ILE 96 N -0.70 1.07 -0.90 -0.67 2.04 -1.18 -1.02 117.51 116.15 1djm h ILE 96 Ca -0.03 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.76 1djm h ILE 96 Cb 0.61 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1djm h ILE 96 CO -0.01 0.07 0.56 0.00 0.00 0.00 0.00 178.15 178.77 1djm h ALA 97 N 1.11 1.26 0.32 1.87 0.00 -0.34 0.30 119.26 123.78 1djm h ALA 97 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1djm h ALA 97 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1djm h ALA 97 CO -0.02 0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.36 1djm h ALA 98 N 1.43 -0.44 0.00 0.00 0.00 -0.81 0.13 119.26 119.57 1djm h ALA 98 Ca 0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1djm h ALA 98 Cb 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1djm h ALA 98 CO -0.19 -0.75 -0.21 0.00 0.00 0.00 0.00 179.25 178.10 1djm h ALA 99 N 0.24 1.36 0.09 0.00 0.00 -0.36 0.11 119.26 120.71 1djm h ALA 99 Ca -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1djm h ALA 99 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1djm h ALA 99 CO 0.06 0.27 -0.05 1.96 0.00 0.00 0.00 179.25 181.49 1djm h GLN 100 N 0.00 -0.12 -0.98 0.00 1.08 -0.32 -3.30 115.11 111.47 1djm h GLN 100 Ca -0.00 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 1djm h GLN 100 Cb 0.46 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.84 1djm h GLN 100 CO 0.03 0.40 0.62 0.00 -0.95 0.00 0.00 178.83 178.93 1djm h ALA 101 N -0.10 1.43 0.00 3.87 0.00 -0.47 -3.47 119.26 120.52 1djm h ALA 101 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1djm h ALA 101 Cb 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1djm h ALA 101 CO 0.02 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1djm n GLY 102 N -1.35 1.98 3.60 0.00 0.00 0.19 -4.97 105.19 104.64 1djm n GLY 102 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 103 N -0.21 -0.83 0.18 4.61 0.00 -0.01 -4.92 120.51 119.32 1djm n ALA 103 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 53.44 53.09 1djm n ALA 103 Cb 0.00 -2.09 0.31 0.00 0.00 0.00 0.00 19.45 17.67 1djm n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1djm h SER 104 N -1.02 0.00 0.00 0.00 4.64 -1.15 -3.46 113.55 112.56 1djm h SER 104 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1djm h SER 104 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1djm h SER 104 CO 0.43 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1djm n GLY 105 N 0.04 0.52 3.07 -0.77 0.00 -1.25 -4.84 105.19 101.95 1djm n GLY 105 Ca -0.01 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 1djm n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1djm s TYR 106 N -2.00 1.08 -0.01 1.61 6.14 -1.26 -1.75 117.35 121.17 1djm s TYR 106 Ca 0.00 -0.22 0.00 0.00 0.64 0.00 0.00 57.07 57.49 1djm s TYR 106 Cb 0.00 -0.71 0.01 0.00 0.42 0.00 0.00 41.96 41.68 1djm s TYR 106 CO 0.00 -0.04 -0.01 0.08 0.64 0.00 0.00 175.55 176.23 1djm s VAL 107 N -0.20 0.10 0.02 3.14 1.01 0.25 -4.96 120.40 119.76 1djm s VAL 107 Ca 0.03 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1djm s VAL 107 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1djm s VAL 107 CO -0.00 0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.32 1djm s VAL 108 N 0.21 1.07 0.48 2.92 1.01 -1.26 -1.79 120.40 123.04 1djm s VAL 108 Ca -0.02 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 1djm s VAL 108 Cb -0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 1djm s VAL 108 CO -0.01 0.08 0.92 0.29 0.00 0.00 0.00 175.10 176.38 1djm n LYS 109 N 2.16 1.11 -0.15 2.72 4.76 -0.27 -2.19 118.16 126.29 1djm n LYS 109 Ca -0.17 0.41 0.05 0.00 -2.87 0.00 0.00 58.31 55.72 1djm n LYS 109 Cb 0.55 -2.00 0.13 0.00 -1.84 0.00 0.00 35.03 31.87 1djm n LYS 109 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1djm n PRO 110 N -0.10 1.67 0.00 1.97 -0.04 -1.26 -5.01 135.00 132.22 1djm n PRO 110 Ca 0.11 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1djm n PRO 110 Cb 0.42 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1djm n PRO 110 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1djm n PHE 111 N 0.33 0.00 -2.60 0.54 1.16 -0.93 -5.00 117.46 110.96 1djm n PHE 111 Ca 0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.43 1djm n PHE 111 Cb 0.24 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.14 1djm n PHE 111 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1djm s THR 112 N 0.00 3.36 0.40 1.97 -4.23 -1.26 -4.95 115.64 110.93 1djm s THR 112 Ca 0.00 -0.33 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1djm s THR 112 Cb 0.00 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.78 1djm s THR 112 CO 0.00 -0.26 2.02 0.00 -0.54 0.00 0.00 174.62 175.84 1djm h ALA 113 N -0.01 1.64 0.00 3.99 0.00 -1.95 -0.33 119.26 122.61 1djm h ALA 113 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1djm h ALA 113 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1djm h ALA 113 CO 0.58 0.30 0.05 0.00 0.00 0.00 0.00 179.25 180.18 1djm n ALA 114 N -2.48 0.95 -0.04 0.00 0.00 -1.26 -0.37 120.51 117.31 1djm n ALA 114 Ca 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1djm n ALA 114 Cb 0.11 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 1djm n ALA 114 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1djm n THR 115 N -1.99 0.49 0.06 0.00 5.66 -0.33 -4.16 114.28 114.00 1djm n THR 115 Ca -0.01 -0.33 -0.12 0.00 -3.05 0.00 0.00 64.05 60.54 1djm n THR 115 Cb 0.08 -0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 68.16 1djm n THR 115 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1djm h LEU 116 N 0.00 -0.21 -1.28 1.09 7.12 -0.60 -1.15 115.31 120.28 1djm h LEU 116 Ca -0.20 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.84 1djm h LEU 116 Cb 1.37 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 41.55 1djm h LEU 116 CO 0.01 -0.11 0.36 1.05 -0.13 0.00 0.00 178.44 179.61 1djm h GLU 117 N -0.14 0.84 -0.34 1.25 -0.00 -0.95 0.89 114.58 116.13 1djm h GLU 117 Ca 0.02 -0.08 -0.06 0.00 -0.00 0.00 0.00 59.36 59.24 1djm h GLU 117 Cb 0.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 28.73 1djm h GLU 117 CO -0.06 0.61 -0.04 1.49 -0.00 0.00 0.00 179.01 181.01 1djm h GLU 118 N 0.86 0.62 -0.32 1.06 4.81 -1.67 0.71 114.58 120.65 1djm h GLU 118 Ca 0.22 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1djm h GLU 118 Cb -0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1djm h GLU 118 CO -0.04 0.77 -0.20 0.87 -0.73 0.00 0.00 179.01 179.68 1djm h LYS 119 N 0.41 0.59 0.72 1.92 1.79 -0.59 -0.32 116.57 121.09 1djm h LYS 119 Ca 0.09 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1djm h LYS 119 Cb 0.51 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1djm h LYS 119 CO 0.03 0.75 -0.39 -0.07 -1.08 0.00 0.00 179.45 178.68 1djm h LEU 120 N 0.53 -0.96 -0.80 2.94 3.38 -0.56 -1.86 115.31 117.97 1djm h LEU 120 Ca 0.08 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.29 1djm h LEU 120 Cb 0.63 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 1djm h LEU 120 CO 0.04 -0.64 0.20 -1.13 0.09 0.00 0.00 178.44 177.01 1djm h ASN 121 N -1.03 0.01 0.01 -0.43 -0.73 -0.69 0.15 115.58 112.87 1djm h ASN 121 Ca -0.10 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1djm h ASN 121 Cb 0.81 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.62 1djm h ASN 121 CO 0.13 -0.08 -0.06 0.11 -0.37 0.00 0.00 177.43 177.16 1djm h LYS 122 N 0.25 -0.09 0.00 6.67 1.57 -0.85 -1.82 116.57 122.31 1djm h LYS 122 Ca 0.47 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.21 1djm h LYS 122 Cb 0.86 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1djm h LYS 122 CO -0.57 -0.06 -0.23 -0.84 -0.57 0.00 0.00 179.45 177.18 1djm h ILE 123 N -0.09 0.84 0.42 1.86 3.07 -0.51 0.25 117.51 123.36 1djm h ILE 123 Ca -0.00 -0.92 -0.01 0.00 1.55 0.00 0.00 64.86 65.49 1djm h ILE 123 Cb 0.09 1.55 -0.02 0.00 -0.27 0.00 0.00 36.82 38.17 1djm h ILE 123 CO -0.04 0.23 -0.39 -0.26 -1.05 0.00 0.00 178.15 176.65 1djm h PHE 124 N 0.00 -1.05 0.08 0.16 0.04 -0.63 -1.57 116.94 113.98 1djm h PHE 124 Ca -0.00 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 1djm h PHE 124 Cb 0.53 0.40 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1djm h PHE 124 CO 0.00 -0.54 -1.47 0.93 -0.60 0.00 0.00 178.31 176.63 1djm h GLU 125 N -0.82 0.17 0.00 1.51 5.08 -1.00 -1.71 114.58 117.81 1djm h GLU 125 Ca -0.04 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1djm h GLU 125 Cb 0.72 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1djm h GLU 125 CO -0.05 1.01 0.00 1.17 -1.00 0.00 0.00 179.01 180.14 1djm n LYS 126 N -3.38 0.00 0.02 2.33 4.81 0.86 -4.19 118.16 118.61 1djm n LYS 126 Ca -0.14 0.36 -0.16 0.00 -0.87 0.00 0.00 58.31 57.50 1djm n LYS 126 Cb 1.03 -1.25 -0.06 0.00 0.02 0.00 0.00 35.03 34.76 1djm n LYS 126 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1djm h LEU 127 N 0.00 0.80 0.00 3.14 3.38 -1.52 -3.48 115.31 117.63 1djm h LEU 127 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1djm h LEU 127 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1djm h LEU 127 CO 0.00 1.36 0.00 0.61 0.09 0.00 0.00 178.44 180.50 1djm n GLY 128 N 0.82 1.61 0.00 0.83 0.00 -0.70 -5.05 105.19 102.71 1djm n GLY 128 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35