#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm s ALA 2 N 0.00 1.69 -0.34 3.04 0.00 -1.26 -4.42 121.76 120.47 1djm s ALA 2 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1djm s ALA 2 Cb 0.00 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1djm s ALA 2 CO 0.00 -2.26 0.20 -0.25 0.00 0.00 0.00 175.76 173.45 1djm n ASP 3 N -3.84 -7.94 -1.15 0.00 8.00 -1.26 -4.90 116.55 105.47 1djm n ASP 3 Ca 0.08 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1djm n ASP 3 Cb 0.54 -5.18 0.00 0.00 -0.02 0.00 0.00 41.12 36.47 1djm n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1djm n LYS 4 N 0.40 0.85 -4.00 -1.24 5.02 -1.26 -4.77 118.16 113.15 1djm n LYS 4 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1djm n LYS 4 Cb 0.18 -1.08 0.02 0.00 -0.02 0.00 0.00 35.03 34.13 1djm n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1djm n GLU 5 N 0.83 -0.60 -1.52 1.97 2.13 -1.26 -4.74 120.64 117.44 1djm n GLU 5 Ca 0.00 0.17 -0.45 0.00 0.66 0.00 0.00 57.16 57.54 1djm n GLU 5 Cb 0.42 -3.02 -0.05 0.00 0.27 0.00 0.00 31.44 29.06 1djm n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1djm n LEU 6 N -4.82 2.49 -4.85 4.31 0.00 -1.26 -4.92 117.00 107.96 1djm n LEU 6 Ca -0.13 0.19 -0.29 0.00 0.00 0.00 0.00 56.01 55.79 1djm n LEU 6 Cb 0.58 -1.40 0.11 0.00 0.00 0.00 0.00 43.42 42.71 1djm n LEU 6 CO 0.74 -0.83 0.76 -1.59 0.00 0.00 0.00 177.39 176.46 1djm s LYS 7 N 6.68 1.65 -0.28 1.96 0.00 -1.26 -4.69 119.74 123.80 1djm s LYS 7 Ca 1.06 0.19 -0.03 0.00 0.00 0.00 0.00 55.97 57.19 1djm s LYS 7 Cb -0.59 -1.91 0.09 0.00 0.00 0.00 0.00 37.83 35.43 1djm s LYS 7 CO 0.41 -1.83 0.11 -0.06 0.00 0.00 0.00 175.35 173.98 1djm s PHE 8 N -3.45 0.81 0.12 1.78 0.40 -1.14 -1.65 117.98 114.84 1djm s PHE 8 Ca 0.63 -1.09 -0.31 0.00 -0.60 0.00 0.00 56.93 55.56 1djm s PHE 8 Cb -0.13 -1.15 -0.07 0.00 0.51 0.00 0.00 43.02 42.18 1djm s PHE 8 CO 0.51 -0.79 1.30 -1.17 0.70 0.00 0.00 175.22 175.77 1djm s LEU 9 N 1.93 4.38 -0.30 -0.37 2.96 -0.33 -0.50 118.68 126.46 1djm s LEU 9 Ca 0.08 2.24 -0.03 0.00 -0.22 0.00 0.00 54.13 56.19 1djm s LEU 9 Cb -0.16 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.04 1djm s LEU 9 CO -0.28 -0.55 0.13 -0.69 -1.32 0.00 0.00 176.35 173.63 1djm s VAL 10 N 0.84 0.14 -0.76 1.68 1.01 -0.65 -1.23 120.40 121.43 1djm s VAL 10 Ca 0.61 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1djm s VAL 10 Cb -0.34 -1.13 0.27 0.00 0.00 0.00 0.00 36.38 35.18 1djm s VAL 10 CO 0.32 -0.73 0.96 0.52 0.00 0.00 0.00 175.10 176.17 1djm n VAL 11 N 5.13 3.21 -2.30 2.92 0.31 -0.13 -4.48 118.33 123.00 1djm n VAL 11 Ca -0.05 -5.43 -0.34 0.00 -0.01 0.00 0.00 64.34 58.52 1djm n VAL 11 Cb 0.42 -2.09 -0.01 0.00 -0.91 0.00 0.00 33.84 31.24 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 -2.28 5.99 0.08 4.52 1.11 -1.26 -1.64 116.67 123.18 1djm s ASP 12 Ca 0.37 1.95 -0.15 0.00 0.18 0.00 0.00 52.55 54.90 1djm s ASP 12 Cb 0.12 -2.56 -0.15 0.00 1.07 0.00 0.00 42.92 41.41 1djm s ASP 12 CO 0.02 -1.03 1.30 -0.78 1.18 0.00 0.00 175.17 175.87 1djm h ASP 13 N 1.07 0.77 -3.56 0.27 3.58 -1.90 -3.44 116.42 113.21 1djm h ASP 13 Ca -0.49 -0.59 -0.63 0.00 0.42 0.00 0.00 57.03 55.74 1djm h ASP 13 Cb 1.23 -0.22 -0.13 0.00 1.72 0.00 0.00 39.33 41.93 1djm h ASP 13 CO 0.58 1.23 0.12 0.12 -2.88 0.00 0.00 179.24 178.41 1djm s PHE 14 N -3.87 3.18 0.15 0.28 5.36 -1.26 -4.97 117.98 116.84 1djm s PHE 14 Ca -0.12 0.44 -0.17 0.00 -0.96 0.00 0.00 56.93 56.12 1djm s PHE 14 Cb 0.07 -3.04 0.03 0.00 -0.34 0.00 0.00 43.02 39.74 1djm s PHE 14 CO 0.85 -0.55 1.76 1.03 -1.46 0.00 0.00 175.22 176.86 1djm h SER 15 N 8.34 0.17 -0.95 6.13 0.87 -2.00 -0.80 113.55 125.31 1djm h SER 15 Ca -0.27 0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.45 1djm h SER 15 Cb 1.12 -0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.99 1djm h SER 15 CO 0.81 0.14 0.57 0.74 -0.53 0.00 0.00 176.83 178.56 1djm h THR 16 N 0.29 0.84 -1.01 2.23 2.02 -1.98 0.16 112.91 115.46 1djm h THR 16 Ca 0.14 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1djm h THR 16 Cb 0.09 -0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.36 1djm h THR 16 CO -0.13 0.15 0.66 -0.03 0.37 0.00 0.00 175.52 176.55 1djm h MET 17 N 0.85 1.21 -0.28 6.66 -1.53 -1.58 0.02 114.93 120.28 1djm h MET 17 Ca 0.49 -0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.67 1djm h MET 17 Cb 0.58 -0.27 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 1djm h MET 17 CO -0.30 0.80 0.14 -0.09 0.14 0.00 0.00 176.91 177.60 1djm h ARG 18 N 1.25 0.40 -0.05 0.39 2.43 -0.12 0.20 114.38 118.87 1djm h ARG 18 Ca 0.41 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.55 1djm h ARG 18 Cb 0.05 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1djm h ARG 18 CO -0.14 0.37 -0.14 0.00 -1.51 0.00 0.00 179.97 178.56 1djm h ARG 19 N 0.33 -0.20 0.40 0.20 2.47 -0.71 -1.91 114.38 114.95 1djm h ARG 19 Ca 0.10 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1djm h ARG 19 Cb 0.10 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1djm h ARG 19 CO -0.01 -0.13 -0.36 0.82 0.56 0.00 0.00 179.97 180.84 1djm h ILE 20 N -0.21 0.00 -0.82 2.04 5.03 -0.50 -1.68 117.51 121.37 1djm h ILE 20 Ca 0.07 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.99 1djm h ILE 20 Cb 0.30 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.97 1djm h ILE 20 CO -0.18 0.00 0.28 0.58 -0.68 0.00 0.00 178.15 178.16 1djm h VAL 21 N -0.75 0.50 -0.44 1.67 2.07 -0.56 0.24 116.25 118.98 1djm h VAL 21 Ca -0.05 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1djm h VAL 21 Cb 0.64 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1djm h VAL 21 CO -0.02 0.06 0.26 0.03 0.02 0.00 0.00 177.57 177.92 1djm h ARG 22 N 0.34 0.59 -0.57 1.57 3.08 -1.12 0.52 114.38 118.78 1djm h ARG 22 Ca 0.49 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 1djm h ARG 22 Cb 0.87 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1djm h ARG 22 CO -0.52 0.44 0.19 -0.97 -1.07 0.00 0.00 179.97 178.03 1djm h ASN 23 N 0.58 0.83 -0.04 7.04 -1.24 0.10 -1.60 115.58 121.24 1djm h ASN 23 Ca 0.16 -0.20 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 1djm h ASN 23 Cb -0.00 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1djm h ASN 23 CO -0.03 0.81 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.77 1djm h LEU 24 N 0.80 0.27 0.51 0.34 3.38 -0.25 0.34 115.31 120.70 1djm h LEU 24 Ca 0.19 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1djm h LEU 24 Cb 0.27 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1djm h LEU 24 CO -0.01 0.38 -0.25 -0.07 0.09 0.00 0.00 178.44 178.59 1djm h LEU 25 N 0.27 -0.58 -2.16 1.67 3.38 -0.79 -3.32 115.31 113.78 1djm h LEU 25 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1djm h LEU 25 Cb 0.32 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1djm h LEU 25 CO 0.02 -0.25 0.00 0.11 0.09 0.00 0.00 178.44 178.41 1djm h LYS 26 N -0.95 0.00 -0.89 1.13 1.57 -0.47 0.24 116.57 117.20 1djm h LYS 26 Ca -0.07 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.93 1djm h LYS 26 Cb 0.61 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 1djm h LYS 26 CO 0.12 0.00 0.60 0.93 -0.57 0.00 0.00 179.45 180.53 1djm h GLU 27 N 0.00 0.27 0.00 3.15 4.39 -1.06 -3.22 114.58 118.12 1djm h GLU 27 Ca 0.00 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 1djm h GLU 27 Cb 0.23 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1djm h GLU 27 CO 0.00 0.18 -1.98 1.28 -1.16 0.00 0.00 179.01 177.33 1djm n LEU 28 N -4.44 2.75 0.00 1.33 4.77 0.63 -5.13 117.00 116.90 1djm n LEU 28 Ca 0.19 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1djm n LEU 28 Cb 0.77 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1djm n LEU 28 CO 0.33 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1djm n GLY 29 N 2.57 -0.14 2.82 -0.72 0.00 0.09 -5.10 105.19 104.71 1djm n GLY 29 Ca -0.31 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.88 -1.14 1.61 3.72 -1.26 -2.64 117.46 115.88 1djm n PHE 30 Ca 0.00 0.66 -0.30 0.00 -0.05 0.00 0.00 57.45 57.76 1djm n PHE 30 Cb 0.00 -3.73 0.22 0.00 -0.94 0.00 0.00 39.48 35.04 1djm n PHE 30 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1djm s ASN 31 N -3.28 1.34 -1.29 4.37 2.47 -1.26 -4.48 114.94 112.80 1djm s ASN 31 Ca 0.34 0.72 -0.02 0.00 0.42 0.00 0.00 52.86 54.32 1djm s ASN 31 Cb -0.04 -1.05 0.01 0.00 -1.45 0.00 0.00 41.25 38.72 1djm s ASN 31 CO 0.56 -3.87 0.86 -3.20 -3.72 0.00 0.00 177.10 167.73 1djm n ASN 32 N -4.61 -2.18 -4.49 -4.21 5.15 -1.26 -4.51 115.26 99.16 1djm n ASN 32 Ca 0.12 -0.73 -0.32 0.00 -0.60 0.00 0.00 54.58 53.05 1djm n ASN 32 Cb 0.59 -4.48 0.16 0.00 -0.53 0.00 0.00 39.78 35.51 1djm n ASN 32 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1djm n VAL 33 N -4.32 0.00 -4.00 3.44 0.24 -1.26 -2.91 118.33 109.52 1djm n VAL 33 Ca -0.24 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.34 61.81 1djm n VAL 33 Cb 0.65 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 32.15 1djm n VAL 33 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1djm s GLU 34 N -4.01 0.61 -0.14 7.34 -6.30 0.35 -4.77 118.70 111.77 1djm s GLU 34 Ca 0.61 -0.99 -0.01 0.00 -2.50 0.00 0.00 54.97 52.09 1djm s GLU 34 Cb -0.21 0.22 0.04 0.00 0.00 0.00 0.00 34.13 34.18 1djm s GLU 34 CO 0.64 -0.14 -0.05 -1.21 0.02 0.00 0.00 175.26 174.53 1djm s GLU 35 N -3.29 1.34 0.44 4.30 2.02 -1.26 -1.63 118.70 120.61 1djm s GLU 35 Ca 0.01 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1djm s GLU 35 Cb 0.03 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.47 1djm s GLU 35 CO -0.08 -0.38 0.66 0.00 0.02 0.00 0.00 175.26 175.48 1djm s ALA 36 N 1.70 3.74 0.11 5.21 0.00 -1.26 -5.03 121.76 126.23 1djm s ALA 36 Ca 0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1djm s ALA 36 Cb -0.14 -2.15 -0.15 0.00 0.00 0.00 0.00 23.12 20.68 1djm s ALA 36 CO -0.08 -0.33 1.25 1.05 0.00 0.00 0.00 175.76 177.66 1djm h GLU 37 N 0.44 0.49 -3.10 0.00 4.11 -1.96 -3.45 114.58 111.11 1djm h GLU 37 Ca -0.47 -0.55 0.00 0.00 0.07 0.00 0.00 59.36 58.42 1djm h GLU 37 Cb 1.25 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 1djm h GLU 37 CO 0.58 1.19 0.21 0.16 0.07 0.00 0.00 179.01 181.21 1djm s ASP 38 N -7.16 -0.06 0.39 3.06 -4.77 -1.26 -4.91 116.67 101.96 1djm s ASP 38 Ca -0.07 -0.94 0.08 0.00 -3.30 0.00 0.00 52.55 48.33 1djm s ASP 38 Cb 0.08 0.78 0.84 0.00 -1.09 0.00 0.00 42.92 43.52 1djm s ASP 38 CO 0.89 -1.50 1.98 1.23 0.70 0.00 0.00 175.17 178.46 1djm h GLY 39 N 2.02 0.81 0.73 2.12 0.00 -1.90 0.32 103.07 107.17 1djm h GLY 39 Ca -0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1djm h GLY 39 CO 0.33 0.19 -0.00 -2.08 0.00 0.00 0.00 176.54 174.98 1djm h VAL 40 N 0.64 1.26 0.00 4.60 2.07 -1.97 -1.76 116.25 121.09 1djm h VAL 40 Ca 0.29 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1djm h VAL 40 Cb 0.30 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1djm h VAL 40 CO -0.09 0.22 -0.17 -0.78 0.02 0.00 0.00 177.57 176.78 1djm h ASP 41 N -0.17 0.00 0.50 0.57 3.58 -1.87 -2.00 116.42 117.03 1djm h ASP 41 Ca 0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1djm h ASP 41 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1djm h ASP 41 CO 0.00 0.17 -0.24 0.00 -2.88 0.00 0.00 179.24 176.29 1djm h ALA 42 N 1.83 -0.67 -0.59 -0.78 0.00 -0.09 0.92 119.26 119.88 1djm h ALA 42 Ca -0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1djm h ALA 42 Cb 0.31 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1djm h ALA 42 CO 0.02 -0.76 0.24 1.25 0.00 0.00 0.00 179.25 180.00 1djm h LEU 43 N -0.90 0.27 -1.50 0.00 5.85 -1.10 -0.05 115.31 117.88 1djm h LEU 43 Ca -0.07 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1djm h LEU 43 Cb 0.60 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1djm h LEU 43 CO 0.11 0.17 -0.26 -1.13 -0.34 0.00 0.00 178.44 177.00 1djm h ASN 44 N 0.44 0.00 0.22 1.25 -1.24 -1.31 -1.39 115.58 113.55 1djm h ASN 44 Ca 0.29 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 1djm h ASN 44 Cb 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 1djm h ASN 44 CO -0.27 0.26 -0.11 0.11 -1.29 0.00 0.00 177.43 176.13 1djm h LYS 45 N 0.00 -0.29 -0.91 6.67 6.56 0.86 -3.11 116.57 126.36 1djm h LYS 45 Ca -0.00 0.02 0.13 0.00 -1.06 0.00 0.00 60.65 59.73 1djm h LYS 45 Cb 0.49 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 32.13 1djm h LYS 45 CO 0.03 -0.08 0.53 -0.07 -2.06 0.00 0.00 179.45 177.80 1djm h LEU 46 N -0.45 0.73 0.00 2.94 3.38 -0.07 0.90 115.31 122.75 1djm h LEU 46 Ca -0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1djm h LEU 46 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1djm h LEU 46 CO 0.05 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1djm n GLN 47 N -4.74 0.18 0.18 1.13 6.02 -0.64 -1.68 117.38 117.83 1djm n GLN 47 Ca 0.17 0.14 0.13 0.00 -0.01 0.00 0.00 57.00 57.43 1djm n GLN 47 Cb 0.37 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.50 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1djm h ALA 48 N 2.78 1.00 0.00 -1.58 0.00 -0.74 -3.49 119.26 117.23 1djm h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1djm h ALA 48 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1djm h ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1djm n GLY 49 N 0.86 2.64 3.59 0.00 0.00 -0.68 -5.10 105.19 106.51 1djm n GLY 49 Ca 0.04 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1djm n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1djm s GLY 50 N 0.00 0.64 0.76 -0.02 0.00 -1.26 -4.62 107.32 102.82 1djm s GLY 50 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 1djm s GLY 50 CO 0.00 3.37 1.09 -0.19 0.00 0.00 0.00 173.10 177.36 1djm s TYR 51 N 7.51 2.96 -0.01 1.90 1.51 -1.26 -4.95 117.35 125.01 1djm s TYR 51 Ca 0.81 1.22 -0.21 0.00 -1.01 0.00 0.00 57.07 57.87 1djm s TYR 51 Cb -0.22 -3.05 -0.23 0.00 -0.11 0.00 0.00 41.96 38.36 1djm s TYR 51 CO 0.32 -1.56 1.10 0.78 -1.11 0.00 0.00 175.55 175.07 1djm h GLY 52 N -0.94 0.40 -4.66 0.71 0.00 -1.64 -3.49 103.07 93.45 1djm h GLY 52 Ca -0.46 -0.68 -0.27 0.00 0.00 0.00 0.00 47.33 45.92 1djm h GLY 52 CO 0.59 0.60 -0.73 -1.36 0.00 0.00 0.00 176.54 175.64 1djm s PHE 53 N -3.25 0.69 -0.50 5.60 0.40 -1.18 -4.42 117.98 115.33 1djm s PHE 53 Ca -0.14 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.74 1djm s PHE 53 Cb 0.03 -0.41 0.25 0.00 0.51 0.00 0.00 43.02 43.40 1djm s PHE 53 CO 0.80 -0.09 0.61 0.28 0.70 0.00 0.00 175.22 177.53 1djm n VAL 54 N 1.37 0.58 -2.88 -0.44 0.31 -1.13 -1.18 118.33 114.97 1djm n VAL 54 Ca -0.22 -4.51 -0.41 0.00 -0.01 0.00 0.00 64.34 59.19 1djm n VAL 54 Cb 0.55 -2.02 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 1djm n VAL 54 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1djm s ILE 55 N -1.71 4.89 0.09 2.52 1.01 -0.36 -1.68 121.20 125.96 1djm s ILE 55 Ca 0.37 1.77 -0.13 0.00 0.00 0.00 0.00 60.65 62.66 1djm s ILE 55 Cb 0.16 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.46 1djm s ILE 55 CO -0.07 0.23 0.30 -0.44 0.00 0.00 0.00 174.94 174.97 1djm s SER 56 N 0.71 -0.08 0.85 3.58 0.01 -0.65 -0.95 113.70 117.17 1djm s SER 56 Ca 0.44 -0.41 -0.12 0.00 1.31 0.00 0.00 55.95 57.18 1djm s SER 56 Cb -0.20 0.40 0.10 0.00 0.21 0.00 0.00 66.02 66.53 1djm s SER 56 CO 0.24 -0.75 1.14 -0.62 0.41 0.00 0.00 173.24 173.66 1djm s ASP 57 N -2.65 4.06 -0.15 2.44 2.15 -0.65 -1.44 116.67 120.43 1djm s ASP 57 Ca 0.02 0.95 -0.25 0.00 0.43 0.00 0.00 52.55 53.70 1djm s ASP 57 Cb 0.02 -1.53 -0.25 0.00 -0.30 0.00 0.00 42.92 40.86 1djm s ASP 57 CO -0.10 -2.21 0.61 -0.25 -0.17 0.00 0.00 175.17 173.06 1djm h TRP 58 N -1.26 0.09 -0.80 -5.34 2.91 -1.92 -3.36 115.95 106.27 1djm h TRP 58 Ca -0.48 -0.07 -0.68 0.00 1.13 0.00 0.00 58.89 58.79 1djm h TRP 58 Cb 1.32 -0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 29.89 1djm h TRP 58 CO 0.33 1.22 2.26 -1.71 -1.03 0.00 0.00 178.44 179.50 1djm n ASN 59 N -4.45 4.84 -4.24 2.65 5.15 -1.26 -0.99 115.26 116.96 1djm n ASN 59 Ca -0.18 -2.91 -0.33 0.00 -0.60 0.00 0.00 54.58 50.56 1djm n ASN 59 Cb 0.61 -1.74 -0.16 0.00 -0.53 0.00 0.00 39.78 37.96 1djm n ASN 59 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1djm s MET 60 N 4.19 3.16 0.20 1.20 1.75 -1.26 -4.88 119.30 123.67 1djm s MET 60 Ca 0.54 -0.78 -0.09 0.00 -1.25 0.00 0.00 55.69 54.11 1djm s MET 60 Cb 0.05 -2.57 0.13 0.00 2.84 0.00 0.00 34.83 35.27 1djm s MET 60 CO 0.07 0.01 1.75 -1.00 -0.65 0.00 0.00 175.02 175.20 1djm h PRO 61 N 7.31 1.12 0.00 4.11 0.13 -1.99 -3.30 132.00 139.39 1djm h PRO 61 Ca -0.33 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1djm h PRO 61 Cb 1.19 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1djm h PRO 61 CO 0.56 0.94 0.00 0.09 -0.23 0.00 0.00 178.00 179.36 1djm n ASN 62 N -4.30 0.00 -4.58 1.44 3.02 -1.26 -4.80 115.26 104.77 1djm n ASN 62 Ca 0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 1djm n ASN 62 Cb 0.20 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1djm s MET 63 N 0.21 3.55 0.96 3.52 1.75 -1.26 -5.02 119.30 123.01 1djm s MET 63 Ca 0.00 0.33 -0.13 0.00 -1.25 0.00 0.00 55.69 54.65 1djm s MET 63 Cb 0.00 -4.00 0.06 0.00 2.84 0.00 0.00 34.83 33.74 1djm s MET 63 CO 0.00 -1.63 0.52 -0.25 -0.65 0.00 0.00 175.02 173.01 1djm n ASP 64 N 8.37 -1.68 0.08 1.11 9.92 -1.24 -4.60 116.55 128.51 1djm n ASP 64 Ca 0.10 0.31 0.17 0.00 -0.53 0.00 0.00 54.79 54.84 1djm n ASP 64 Cb 0.49 -1.24 0.68 0.00 -0.64 0.00 0.00 41.12 40.41 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1djm h GLY 65 N -1.67 0.00 0.96 0.44 0.00 -1.22 0.18 103.07 101.76 1djm h GLY 65 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1djm h GLY 65 CO 0.36 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.84 1djm h LEU 66 N 0.00 0.74 -0.42 3.11 7.12 -1.86 -1.86 115.31 122.13 1djm h LEU 66 Ca 0.18 -0.34 -0.17 0.00 0.13 0.00 0.00 57.88 57.67 1djm h LEU 66 Cb 0.72 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1djm h LEU 66 CO -0.00 0.91 -0.58 -0.33 -0.13 0.00 0.00 178.44 178.31 1djm h GLU 67 N 0.55 0.66 0.23 1.25 4.39 -1.37 -0.32 114.58 119.98 1djm h GLU 67 Ca 0.10 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.38 1djm h GLU 67 Cb 0.57 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1djm h GLU 67 CO 0.03 1.05 -0.46 1.25 -1.16 0.00 0.00 179.01 179.72 1djm h LEU 68 N 0.50 -1.35 -0.31 1.33 5.85 -1.05 -0.15 115.31 120.13 1djm h LEU 68 Ca 0.00 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1djm h LEU 68 Cb 1.15 0.49 -0.08 0.00 0.37 0.00 0.00 40.66 42.58 1djm h LEU 68 CO 0.11 -0.55 -0.43 0.25 -0.34 0.00 0.00 178.44 177.49 1djm h LEU 69 N -0.77 -1.39 -1.59 2.25 5.85 -1.14 -1.65 115.31 116.86 1djm h LEU 69 Ca -0.01 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1djm h LEU 69 Cb 0.75 0.59 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1djm h LEU 69 CO -0.20 -0.39 -0.17 0.11 -0.34 0.00 0.00 178.44 177.45 1djm h LYS 70 N -0.39 0.00 -0.11 1.25 1.57 -0.79 0.29 116.57 118.40 1djm h LYS 70 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1djm h LYS 70 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1djm h LYS 70 CO -0.51 0.17 0.00 1.15 -0.57 0.00 0.00 179.45 179.70 1djm h THR 71 N 0.00 1.24 0.40 -0.16 2.02 -0.22 -2.84 112.91 113.35 1djm h THR 71 Ca -0.00 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1djm h THR 71 Cb 0.50 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1djm h THR 71 CO 0.02 0.22 -0.41 0.40 0.37 0.00 0.00 175.52 176.12 1djm h ILE 72 N -0.07 0.17 0.00 3.11 2.04 -0.44 -3.32 117.51 119.00 1djm h ILE 72 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1djm h ILE 72 Cb 0.34 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1djm h ILE 72 CO 0.00 0.00 -0.08 -0.09 0.00 0.00 0.00 178.15 177.99 1djm h ARG 73 N -0.84 0.00 0.00 2.37 1.12 -0.46 -3.09 114.38 113.48 1djm h ARG 73 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1djm h ARG 73 Cb 0.75 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.71 1djm h ARG 73 CO -0.07 0.08 0.00 0.00 -3.11 0.00 0.00 179.97 176.87 1djm n ALA 74 N -2.25 -0.03 -1.12 2.80 0.00 -1.08 -4.70 120.51 114.14 1djm n ALA 74 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1djm n ALA 74 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1djm n ALA 74 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1djm n ASP 75 N -0.61 0.00 -0.69 0.00 5.68 -1.25 -4.87 116.55 114.82 1djm n ASP 75 Ca 0.00 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 1djm n ASP 75 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1djm n GLY 76 N 0.00 1.16 2.59 6.12 0.00 -1.26 -4.67 105.19 109.12 1djm n GLY 76 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1djm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 77 N 0.34 -0.11 -0.34 4.61 0.00 -1.26 -4.82 120.51 118.94 1djm n ALA 77 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1djm n ALA 77 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1djm n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1djm n MET 78 N -1.27 0.27 0.29 0.00 2.81 -1.26 -4.84 117.12 113.12 1djm n MET 78 Ca -0.07 -0.62 0.16 0.00 -1.81 0.00 0.00 57.70 55.35 1djm n MET 78 Cb 0.43 -0.83 0.92 0.00 -0.71 0.00 0.00 33.22 33.02 1djm n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1djm h SER 79 N 0.00 0.00 0.83 7.83 4.64 -1.82 -1.33 113.55 123.70 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1djm h SER 79 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1djm h SER 79 CO 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.85 1djm n ALA 80 N -2.31 2.63 -1.69 5.18 0.00 -1.26 -4.64 120.51 118.42 1djm n ALA 80 Ca -0.02 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 1djm n ALA 80 Cb 0.11 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1djm n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1djm n LEU 81 N -1.45 4.08 -4.58 0.00 4.77 -0.50 -4.85 117.00 114.46 1djm n LEU 81 Ca 0.08 1.04 -0.36 0.00 -0.03 0.00 0.00 56.01 56.74 1djm n LEU 81 Cb 0.33 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 1djm n LEU 81 CO 0.28 -0.89 1.75 -0.81 -1.33 0.00 0.00 177.39 176.40 1djm n PRO 82 N -0.26 2.42 -1.75 3.23 -0.04 -1.26 -4.86 135.00 132.48 1djm n PRO 82 Ca 0.08 -2.88 -0.43 0.00 -0.04 0.00 0.00 63.50 60.23 1djm n PRO 82 Cb 0.41 -3.61 -0.03 0.00 -0.04 0.00 0.00 33.50 30.23 1djm n PRO 82 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1djm s VAL 83 N 7.57 3.18 -0.15 0.52 -7.23 -1.26 -2.82 120.40 120.20 1djm s VAL 83 Ca 0.61 0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 60.93 1djm s VAL 83 Cb 0.02 -3.23 0.05 0.00 0.56 0.00 0.00 36.38 33.78 1djm s VAL 83 CO 0.11 -0.14 0.04 -0.22 -0.31 0.00 0.00 175.10 174.57 1djm s LEU 84 N 7.69 0.83 -0.02 1.32 2.96 -0.67 -0.44 118.68 130.36 1djm s LEU 84 Ca 0.93 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.00 1djm s LEU 84 Cb -0.30 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1djm s LEU 84 CO 0.35 -0.28 0.94 -0.04 -1.32 0.00 0.00 176.35 176.00 1djm s MET 85 N 1.95 4.53 -0.24 1.98 -1.94 -0.73 -1.64 119.30 123.21 1djm s MET 85 Ca 0.01 1.34 -0.03 0.00 -1.71 0.00 0.00 55.69 55.31 1djm s MET 85 Cb -0.15 -3.46 0.08 0.00 2.01 0.00 0.00 34.83 33.30 1djm s MET 85 CO -0.07 -0.05 0.08 0.08 -0.01 0.00 0.00 175.02 175.05 1djm s VAL 86 N 1.04 0.45 0.21 -6.03 1.01 -0.52 -1.10 120.40 115.45 1djm s VAL 86 Ca 0.50 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 1djm s VAL 86 Cb -0.20 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1djm s VAL 86 CO 0.26 -0.45 0.45 0.28 0.00 0.00 0.00 175.10 175.64 1djm s THR 87 N 1.86 0.03 -0.73 3.92 -1.32 -0.62 -3.73 115.64 115.05 1djm s THR 87 Ca 0.04 -1.17 0.26 0.00 -1.21 0.00 0.00 61.69 59.62 1djm s THR 87 Cb -0.17 -1.87 0.25 0.00 -1.51 0.00 0.00 72.50 69.19 1djm s THR 87 CO -0.19 -0.12 1.71 0.00 -2.21 0.00 0.00 174.62 173.81 1djm n ALA 88 N -0.32 2.39 -2.19 11.08 0.00 -1.26 -0.33 120.51 129.88 1djm n ALA 88 Ca -0.06 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1djm n ALA 88 Cb 0.62 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1djm n ALA 88 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1djm s GLU 89 N -3.11 2.82 0.00 0.00 0.41 -1.26 -4.61 118.70 112.95 1djm s GLU 89 Ca 0.10 0.05 0.30 0.00 -0.41 0.00 0.00 54.97 55.02 1djm s GLU 89 Cb 0.13 -4.61 1.55 0.00 -1.78 0.00 0.00 34.13 29.42 1djm s GLU 89 CO 0.61 -2.72 2.03 0.00 -0.49 0.00 0.00 175.26 174.69 1djm n ALA 90 N 12.00 2.66 -1.65 5.21 0.00 -1.26 -4.86 120.51 132.60 1djm n ALA 90 Ca 0.23 -0.28 -0.53 0.00 0.00 0.00 0.00 53.44 52.86 1djm n ALA 90 Cb 0.50 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.65 1.45 -0.07 0.00 4.81 -1.26 -4.86 118.16 117.58 1djm n LYS 91 Ca 0.21 0.51 -0.07 0.00 -0.87 0.00 0.00 58.31 58.09 1djm n LYS 91 Cb 0.21 -2.34 -0.01 0.00 0.02 0.00 0.00 35.03 32.91 1djm n LYS 91 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1djm h LYS 92 N 8.86 -0.21 0.00 1.64 3.11 -2.00 -0.17 116.57 127.80 1djm h LYS 92 Ca -0.43 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1djm h LYS 92 Cb 1.30 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.58 1djm h LYS 92 CO 0.97 -0.14 -0.01 1.49 -2.81 0.00 0.00 179.45 178.95 1djm h GLU 93 N -0.22 0.00 -0.15 1.90 4.81 -1.99 -0.77 114.58 118.16 1djm h GLU 93 Ca 0.16 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1djm h GLU 93 Cb 0.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1djm h GLU 93 CO -0.43 0.01 -0.63 -0.91 -0.73 0.00 0.00 179.01 176.32 1djm h ASN 94 N 0.00 0.62 -0.40 1.04 2.35 -1.44 0.18 115.58 117.92 1djm h ASN 94 Ca -0.00 -0.36 -0.04 0.00 -0.55 0.00 0.00 56.30 55.35 1djm h ASN 94 Cb 0.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1djm h ASN 94 CO 0.00 1.09 0.11 0.40 -1.65 0.00 0.00 177.43 177.39 1djm h ILE 95 N 0.40 1.22 -0.17 2.81 2.04 -0.19 -0.12 117.51 123.50 1djm h ILE 95 Ca -0.01 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1djm h ILE 95 Cb 1.19 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1djm h ILE 95 CO 0.12 0.26 0.06 0.40 0.00 0.00 0.00 178.15 178.99 1djm h ILE 96 N 0.51 0.96 -0.61 -0.67 5.03 -1.01 -0.39 117.51 121.33 1djm h ILE 96 Ca 0.13 -0.05 0.05 0.00 -0.12 0.00 0.00 64.86 64.87 1djm h ILE 96 Cb 0.29 0.81 -0.05 0.00 -3.03 0.00 0.00 36.82 34.84 1djm h ILE 96 CO -0.00 0.03 0.34 0.00 -0.68 0.00 0.00 178.15 177.83 1djm h ALA 97 N 1.10 0.81 -0.30 1.87 0.00 -0.32 0.22 119.26 122.64 1djm h ALA 97 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1djm h ALA 97 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1djm h ALA 97 CO -0.08 0.02 0.19 0.00 0.00 0.00 0.00 179.25 179.39 1djm h ALA 98 N 1.31 0.38 -0.55 0.00 0.00 -0.81 0.17 119.26 119.77 1djm h ALA 98 Ca 0.27 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1djm h ALA 98 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1djm h ALA 98 CO -0.16 -0.14 0.35 0.00 0.00 0.00 0.00 179.25 179.30 1djm h ALA 99 N 1.09 0.70 -0.01 0.00 0.00 0.32 0.18 119.26 121.54 1djm h ALA 99 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1djm h ALA 99 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1djm h ALA 99 CO -0.02 0.09 0.00 1.96 0.00 0.00 0.00 179.25 181.28 1djm h GLN 100 N 0.70 0.01 0.00 0.00 1.08 -0.50 -2.15 115.11 114.25 1djm h GLN 100 Ca 0.21 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1djm h GLN 100 Cb -0.03 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1djm h GLN 100 CO -0.07 0.12 -0.00 0.00 -0.95 0.00 0.00 178.83 177.92 1djm h ALA 101 N 0.90 1.20 -1.71 3.87 0.00 -0.41 -3.46 119.26 119.65 1djm h ALA 101 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1djm h ALA 101 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1djm h ALA 101 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1djm n GLY 102 N -1.13 0.54 3.77 0.00 0.00 -0.07 -4.76 105.19 103.53 1djm n GLY 102 Ca -0.03 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm s ALA 103 N -2.89 3.28 0.35 4.61 0.00 0.45 -4.92 121.76 122.64 1djm s ALA 103 Ca 0.00 1.25 0.27 0.00 0.00 0.00 0.00 51.96 53.48 1djm s ALA 103 Cb 0.00 -3.49 1.35 0.00 0.00 0.00 0.00 23.12 20.98 1djm s ALA 103 CO 0.00 -0.83 2.02 0.66 0.00 0.00 0.00 175.76 177.61 1djm h SER 104 N 2.71 0.00 0.00 0.00 4.64 -1.08 -3.46 113.55 116.36 1djm h SER 104 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1djm h SER 104 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1djm h SER 104 CO 0.63 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 1djm n GLY 105 N -0.48 0.57 2.85 -0.77 0.00 -1.25 -4.76 105.19 101.33 1djm n GLY 105 Ca -0.01 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 0.70 -0.28 1.61 6.14 -1.26 -1.77 117.35 120.50 1djm s TYR 106 Ca 0.00 -0.19 0.03 0.00 0.64 0.00 0.00 57.07 57.55 1djm s TYR 106 Cb 0.00 -0.70 0.07 0.00 0.42 0.00 0.00 41.96 41.75 1djm s TYR 106 CO 0.00 -0.24 -0.06 0.08 0.64 0.00 0.00 175.55 175.97 1djm s VAL 107 N 1.30 2.08 0.51 3.14 1.01 -0.26 -5.00 120.40 123.17 1djm s VAL 107 Ca -0.05 -1.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.01 1djm s VAL 107 Cb -0.13 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 1djm s VAL 107 CO -0.02 -0.19 0.99 -0.69 0.00 0.00 0.00 175.10 175.19 1djm s VAL 108 N 1.10 4.38 0.63 2.92 1.01 -1.26 -1.58 120.40 127.61 1djm s VAL 108 Ca -0.03 1.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 1djm s VAL 108 Cb -0.20 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1djm s VAL 108 CO -0.06 -0.59 1.04 1.17 0.00 0.00 0.00 175.10 176.66 1djm n LYS 109 N -1.46 0.87 -2.14 2.72 4.81 0.55 -4.19 118.16 119.32 1djm n LYS 109 Ca 0.07 0.35 -0.37 0.00 -0.87 0.00 0.00 58.31 57.49 1djm n LYS 109 Cb 0.54 -2.26 0.01 0.00 0.02 0.00 0.00 35.03 33.34 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1djm s PRO 110 N -3.00 3.44 -0.10 1.64 0.04 -1.26 -4.96 135.00 130.80 1djm s PRO 110 Ca 0.78 1.82 -0.08 0.00 0.04 0.00 0.00 61.00 63.56 1djm s PRO 110 Cb -0.39 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 31.96 1djm s PRO 110 CO 0.45 -0.83 0.25 -0.59 0.04 0.00 0.00 177.00 176.33 1djm s PHE 111 N -1.56 -0.29 0.16 0.56 -0.71 -1.26 -5.05 117.98 109.84 1djm s PHE 111 Ca 0.69 0.69 0.03 0.00 -1.04 0.00 0.00 56.93 57.31 1djm s PHE 111 Cb -0.30 0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.59 1djm s PHE 111 CO 0.35 -0.15 0.15 0.25 -1.34 0.00 0.00 175.22 174.48 1djm n THR 112 N 3.15 0.00 0.29 -4.49 -2.24 -1.26 -5.01 114.28 104.72 1djm n THR 112 Ca -0.15 -1.15 0.14 0.00 -2.27 0.00 0.00 64.05 60.62 1djm n THR 112 Cb 0.57 0.59 0.89 0.00 -2.10 0.00 0.00 70.33 70.28 1djm n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djm h ALA 113 N 1.54 1.55 -0.94 6.98 0.00 -1.96 -0.67 119.26 125.76 1djm h ALA 113 Ca -0.12 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 54.98 1djm h ALA 113 Cb 0.58 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1djm h ALA 113 CO 0.17 0.01 0.60 0.00 0.00 0.00 0.00 179.25 180.03 1djm h ALA 114 N 1.99 1.95 0.00 0.00 0.00 -1.95 0.66 119.26 121.92 1djm h ALA 114 Ca -0.00 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1djm h ALA 114 Cb 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1djm h ALA 114 CO 0.00 -0.26 -2.16 -2.37 0.00 0.00 0.00 179.25 174.46 1djm n THR 115 N -4.60 1.02 -0.12 0.00 5.66 -0.40 -3.84 114.28 112.01 1djm n THR 115 Ca 0.20 -0.75 -0.07 0.00 -3.05 0.00 0.00 64.05 60.39 1djm n THR 115 Cb 0.61 -0.39 0.01 0.00 -1.55 0.00 0.00 70.33 69.01 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 0.31 -0.83 1.09 7.12 -0.59 0.14 115.31 122.55 1djm h LEU 116 Ca -0.36 0.01 -0.07 0.00 0.13 0.00 0.00 57.88 57.59 1djm h LEU 116 Cb 1.85 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.91 1djm h LEU 116 CO 0.03 0.23 0.10 1.05 -0.13 0.00 0.00 178.44 179.72 1djm h GLU 117 N 0.42 0.98 0.26 1.25 -0.00 -1.08 -1.75 114.58 114.65 1djm h GLU 117 Ca 0.16 -0.24 -0.01 0.00 -0.00 0.00 0.00 59.36 59.26 1djm h GLU 117 Cb 0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 1djm h GLU 117 CO -0.09 0.90 -0.12 1.49 -0.00 0.00 0.00 179.01 181.18 1djm h GLU 118 N 0.92 -0.34 -0.84 1.06 4.81 -1.55 0.05 114.58 118.70 1djm h GLU 118 Ca 0.19 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1djm h GLU 118 Cb 0.40 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1djm h GLU 118 CO 0.01 0.00 0.55 1.57 -0.73 0.00 0.00 179.01 180.41 1djm h LYS 119 N -0.73 1.01 0.25 1.92 5.09 -0.95 0.26 116.57 123.42 1djm h LYS 119 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.65 1djm h LYS 119 Cb 0.49 -0.23 -0.02 0.00 0.10 0.00 0.00 32.23 32.57 1djm h LYS 119 CO 0.06 0.67 -0.26 -0.07 -2.09 0.00 0.00 179.45 177.76 1djm h LEU 120 N 1.04 -0.69 -1.04 7.07 3.38 -1.28 -1.76 115.31 122.02 1djm h LEU 120 Ca 0.34 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.49 1djm h LEU 120 Cb 0.04 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1djm h LEU 120 CO -0.10 -0.37 0.63 -1.13 0.09 0.00 0.00 178.44 177.55 1djm h ASN 121 N -0.54 0.91 -0.31 -0.43 -0.73 0.19 0.41 115.58 115.07 1djm h ASN 121 Ca -0.01 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 1djm h ASN 121 Cb 0.50 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 1djm h ASN 121 CO -0.06 0.49 0.06 0.11 -0.37 0.00 0.00 177.43 177.66 1djm h LYS 122 N 0.98 0.51 0.00 6.67 1.57 -0.30 -1.66 116.57 124.35 1djm h LYS 122 Ca 0.49 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1djm h LYS 122 Cb 0.48 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1djm h LYS 122 CO -0.25 0.60 0.00 -0.84 -0.57 0.00 0.00 179.45 178.39 1djm h ILE 123 N 0.34 0.00 0.48 1.86 3.07 -0.66 0.25 117.51 122.84 1djm h ILE 123 Ca 0.10 -0.94 -0.02 0.00 1.55 0.00 0.00 64.86 65.55 1djm h ILE 123 Cb 0.33 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 1djm h ILE 123 CO 0.00 0.00 -0.36 -0.26 -1.05 0.00 0.00 178.15 176.48 1djm h PHE 124 N 0.00 -0.98 -0.01 0.16 0.04 -0.86 -1.73 116.94 113.56 1djm h PHE 124 Ca 0.00 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1djm h PHE 124 Cb 0.96 0.36 -0.02 0.00 2.20 0.00 0.00 35.95 39.45 1djm h PHE 124 CO 0.00 -0.51 -0.63 0.93 -0.60 0.00 0.00 178.31 177.50 1djm h GLU 125 N -0.80 0.03 0.00 1.51 5.08 -0.95 0.92 114.58 120.36 1djm h GLU 125 Ca -0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1djm h GLU 125 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1djm h GLU 125 CO 0.02 0.65 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.46 1djm h LYS 126 N 0.02 0.00 0.00 2.33 3.11 -0.62 -3.38 116.57 118.03 1djm h LYS 126 Ca -0.01 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 1djm h LYS 126 Cb 1.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 1djm h LYS 126 CO 0.08 0.00 -0.21 -0.07 -2.81 0.00 0.00 179.45 176.44 1djm h LEU 127 N -0.13 0.00 -0.04 5.20 3.38 -1.48 -3.47 115.31 118.78 1djm h LEU 127 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1djm h LEU 127 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1djm h LEU 127 CO 0.00 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1djm n GLY 128 N 0.21 0.85 0.00 0.83 0.00 0.25 -5.04 105.19 102.29 1djm n GLY 128 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35