#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 -2.68 -1.50 -5.12 0.00 -1.26 -4.68 120.51 105.27 1djm n ALA 2 Ca 0.00 -0.24 -0.48 0.00 0.00 0.00 0.00 53.44 52.72 1djm n ALA 2 Cb 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 1djm n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1djm n ASP 3 N -2.40 2.53 -1.40 0.00 8.00 -1.26 -4.83 116.55 117.19 1djm n ASP 3 Ca -0.19 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1djm n ASP 3 Cb 0.62 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 8.41 0.85 -1.93 -1.24 5.02 -1.26 -3.35 118.16 124.66 1djm n LYS 4 Ca 0.37 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.69 1djm n LYS 4 Cb 0.31 -1.08 0.03 0.00 -0.02 0.00 0.00 35.03 34.27 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 1.28 0.57 -1.67 1.97 2.13 -1.26 -5.11 120.64 118.54 1djm n GLU 5 Ca 0.00 -2.46 -0.64 0.00 0.66 0.00 0.00 57.16 54.72 1djm n GLU 5 Cb 0.42 -0.51 -0.09 0.00 0.27 0.00 0.00 31.44 31.54 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 0.12 1.03 -4.72 4.31 7.94 -1.21 -4.87 117.00 119.61 1djm n LEU 6 Ca 0.06 1.17 -0.42 0.00 -1.11 0.00 0.00 56.01 55.70 1djm n LEU 6 Cb 1.03 -0.93 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 1djm n LEU 6 CO -0.01 -1.09 1.02 -0.75 -1.11 0.00 0.00 177.39 175.45 1djm s LYS 7 N 2.14 4.35 0.48 1.96 2.47 -1.17 -4.78 119.74 125.19 1djm s LYS 7 Ca 1.00 2.02 -0.05 0.00 -1.56 0.00 0.00 55.97 57.38 1djm s LYS 7 Cb -1.37 -3.26 -0.03 0.00 -1.46 0.00 0.00 37.83 31.71 1djm s LYS 7 CO 0.72 -0.38 0.78 -0.06 0.16 0.00 0.00 175.35 176.56 1djm s PHE 8 N 0.97 3.53 -0.02 4.03 0.40 -0.17 -1.19 117.98 125.53 1djm s PHE 8 Ca 0.63 0.75 0.04 0.00 -0.60 0.00 0.00 56.93 57.75 1djm s PHE 8 Cb -0.36 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.86 1djm s PHE 8 CO 0.31 -0.30 -0.14 -1.17 0.70 0.00 0.00 175.22 174.62 1djm s LEU 9 N -4.73 1.93 -0.27 -0.37 2.96 -0.85 -0.67 118.68 116.68 1djm s LEU 9 Ca 0.47 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1djm s LEU 9 Cb -0.10 -0.77 0.09 0.00 0.50 0.00 0.00 46.19 45.90 1djm s LEU 9 CO 0.44 0.14 0.07 -0.69 -1.32 0.00 0.00 176.35 174.99 1djm s VAL 10 N -0.09 0.84 -0.66 1.68 1.01 -0.25 -1.02 120.40 121.90 1djm s VAL 10 Ca 0.01 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1djm s VAL 10 Cb -0.08 -1.51 0.37 0.00 0.00 0.00 0.00 36.38 35.16 1djm s VAL 10 CO 0.01 -0.50 1.40 0.52 0.00 0.00 0.00 175.10 176.53 1djm n VAL 11 N 4.89 3.40 -2.62 2.92 0.31 0.44 -4.05 118.33 123.62 1djm n VAL 11 Ca -0.05 -5.10 -0.42 0.00 -0.01 0.00 0.00 64.34 58.76 1djm n VAL 11 Cb 0.44 -1.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.60 7.21 0.17 4.52 1.01 -1.26 -1.78 116.67 123.94 1djm s ASP 12 Ca 0.48 1.65 -0.15 0.00 0.71 0.00 0.00 52.55 55.24 1djm s ASP 12 Cb 0.35 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.78 1djm s ASP 12 CO -0.22 -0.45 1.83 -0.78 0.21 0.00 0.00 175.17 175.75 1djm h ASP 13 N 7.12 0.56 -2.90 0.27 3.58 -1.90 -3.37 116.42 119.78 1djm h ASP 13 Ca -0.34 -0.01 -0.55 0.00 0.42 0.00 0.00 57.03 56.55 1djm h ASP 13 Cb 1.17 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 42.02 1djm h ASP 13 CO 0.84 0.41 1.11 0.12 -2.88 0.00 0.00 179.24 178.83 1djm s PHE 14 N -6.15 2.28 0.44 0.28 5.36 -1.26 -4.91 117.98 114.01 1djm s PHE 14 Ca -0.13 0.54 0.12 0.00 -0.96 0.00 0.00 56.93 56.50 1djm s PHE 14 Cb 0.12 -4.36 1.01 0.00 -0.34 0.00 0.00 43.02 39.45 1djm s PHE 14 CO 0.74 -2.00 2.03 1.03 -1.46 0.00 0.00 175.22 175.55 1djm h SER 15 N 11.16 0.35 -0.76 6.13 0.87 -2.02 0.11 113.55 129.39 1djm h SER 15 Ca -0.27 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.35 1djm h SER 15 Cb 1.10 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 1djm h SER 15 CO 1.15 0.23 0.50 0.74 -0.53 0.00 0.00 176.83 178.93 1djm h THR 16 N 0.40 1.04 -0.76 2.23 2.02 -1.92 0.76 112.91 116.67 1djm h THR 16 Ca 0.20 -0.28 0.09 0.00 0.77 0.00 0.00 66.41 67.18 1djm h THR 16 Cb 0.28 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 1djm h THR 16 CO -0.05 0.15 0.42 -0.03 0.37 0.00 0.00 175.52 176.38 1djm h MET 17 N 0.83 0.70 -0.48 6.66 -1.53 -1.13 -0.75 114.93 119.22 1djm h MET 17 Ca 0.33 -0.04 -0.09 0.00 -3.44 0.00 0.00 59.70 56.46 1djm h MET 17 Cb 0.22 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.10 1djm h MET 17 CO -0.11 0.46 -0.03 0.00 0.14 0.00 0.00 176.91 177.37 1djm h ARG 18 N 0.72 0.87 -0.40 0.39 3.08 -0.80 0.93 114.38 119.17 1djm h ARG 18 Ca 0.37 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1djm h ARG 18 Cb 0.33 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1djm h ARG 18 CO -0.24 0.93 0.17 0.00 -1.07 0.00 0.00 179.97 179.75 1djm h ARG 19 N 0.72 0.34 0.54 0.04 -0.00 -0.92 0.20 114.38 115.30 1djm h ARG 19 Ca 0.13 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 1djm h ARG 19 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 1djm h ARG 19 CO 0.03 0.22 -0.42 0.82 0.00 0.00 0.00 179.97 180.63 1djm h ILE 20 N 0.35 0.16 -0.22 2.04 5.03 -0.32 -0.05 117.51 124.49 1djm h ILE 20 Ca 0.18 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.97 1djm h ILE 20 Cb 0.12 0.16 -0.05 0.00 -3.03 0.00 0.00 36.82 34.02 1djm h ILE 20 CO -0.15 0.00 -0.09 0.58 -0.68 0.00 0.00 178.15 177.80 1djm h VAL 21 N -0.94 0.69 -0.83 1.67 2.07 -0.68 -0.26 116.25 117.96 1djm h VAL 21 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1djm h VAL 21 Cb 0.79 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1djm h VAL 21 CO 0.01 0.00 0.55 -0.09 0.02 0.00 0.00 177.57 178.06 1djm h ARG 22 N -0.06 1.10 -0.32 1.57 1.12 -0.51 0.32 114.38 117.60 1djm h ARG 22 Ca 0.12 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 1djm h ARG 22 Cb 0.24 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 1djm h ARG 22 CO -0.26 0.73 0.08 -0.97 -3.11 0.00 0.00 179.97 176.44 1djm h ASN 23 N 1.13 0.47 -0.64 -3.80 -1.24 -0.55 -1.72 115.58 109.24 1djm h ASN 23 Ca 0.31 -0.22 0.02 0.00 0.71 0.00 0.00 56.30 57.11 1djm h ASN 23 Cb -0.13 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 1djm h ASN 23 CO -0.07 0.57 0.41 -0.07 -1.29 0.00 0.00 177.43 176.98 1djm h LEU 24 N 0.35 0.69 0.55 0.34 3.38 -0.54 -0.83 115.31 119.24 1djm h LEU 24 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1djm h LEU 24 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1djm h LEU 24 CO -0.00 0.49 -0.45 -0.07 0.09 0.00 0.00 178.44 178.50 1djm h LEU 25 N 0.82 -1.20 -1.88 1.67 3.38 -0.85 -2.77 115.31 114.48 1djm h LEU 25 Ca 0.25 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1djm h LEU 25 Cb -0.04 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1djm h LEU 25 CO -0.08 -0.64 -0.08 0.07 0.09 0.00 0.00 178.44 177.80 1djm h LYS 26 N -0.98 0.00 -0.71 1.13 2.10 -0.73 0.75 116.57 118.12 1djm h LYS 26 Ca -0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1djm h LYS 26 Cb 0.83 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.13 1djm h LYS 26 CO -0.01 0.08 0.31 1.05 -2.00 0.00 0.00 179.45 178.88 1djm h GLU 27 N 0.00 1.04 0.19 0.07 -0.00 -0.87 -3.05 114.58 111.96 1djm h GLU 27 Ca -0.00 -0.16 -0.26 0.00 -0.00 0.00 0.00 59.36 58.94 1djm h GLU 27 Cb 0.38 -0.18 0.03 0.00 -0.00 0.00 0.00 28.75 28.98 1djm h GLU 27 CO 0.01 0.83 -1.16 -0.07 -0.00 0.00 0.00 179.01 178.62 1djm h LEU 28 N 1.02 0.64 0.00 3.06 3.38 -1.18 -3.49 115.31 118.75 1djm h LEU 28 Ca 0.24 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1djm h LEU 28 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1djm h LEU 28 CO -0.02 1.55 0.00 0.61 0.09 0.00 0.00 178.44 180.67 1djm n GLY 29 N 1.70 0.20 3.56 0.83 0.00 0.17 -5.12 105.19 106.54 1djm n GLY 29 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1djm n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 30 N 0.00 2.10 -0.06 1.61 0.08 -0.79 -4.75 117.98 116.17 1djm s PHE 30 Ca 0.00 0.35 0.13 0.00 0.12 0.00 0.00 56.93 57.53 1djm s PHE 30 Cb 0.00 -4.40 -0.13 0.00 -0.57 0.00 0.00 43.02 37.92 1djm s PHE 30 CO 0.00 -2.12 1.02 -0.91 -0.10 0.00 0.00 175.22 173.11 1djm h ASN 31 N 11.75 0.00 -3.12 1.36 2.35 -1.88 -2.34 115.58 123.70 1djm h ASN 31 Ca -0.27 0.00 -0.80 0.00 -0.55 0.00 0.00 56.30 54.68 1djm h ASN 31 Cb 1.10 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.20 1djm h ASN 31 CO 1.23 0.74 0.72 0.59 -1.65 0.00 0.00 177.43 179.06 1djm n ASN 32 N -3.09 5.77 -3.92 5.81 3.02 -1.26 -4.90 115.26 116.68 1djm n ASN 32 Ca -0.07 -3.16 -0.30 0.00 -0.03 0.00 0.00 54.58 51.03 1djm n ASN 32 Cb 0.88 -1.37 -0.16 0.00 -0.61 0.00 0.00 39.78 38.53 1djm n ASN 32 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1djm s VAL 33 N -1.43 1.48 0.00 2.41 1.01 -1.26 -1.00 120.40 121.61 1djm s VAL 33 Ca 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1djm s VAL 33 Cb -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1djm s VAL 33 CO -0.01 -0.18 0.00 -0.62 0.00 0.00 0.00 175.10 174.29 1djm n GLU 34 N 4.68 0.52 -3.69 2.72 -0.58 0.16 -4.95 120.64 119.50 1djm n GLU 34 Ca -0.10 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.67 1djm n GLU 34 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 1djm n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1djm s GLU 35 N -2.13 0.20 0.30 3.49 -1.05 -1.26 -1.09 118.70 117.16 1djm s GLU 35 Ca 0.00 -0.12 -0.01 0.00 -0.15 0.00 0.00 54.97 54.69 1djm s GLU 35 Cb 0.00 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 33.74 1djm s GLU 35 CO 0.00 -0.09 0.36 0.00 0.95 0.00 0.00 175.26 176.48 1djm s ALA 36 N -2.15 0.98 0.19 -0.84 0.00 -1.26 -4.86 121.76 113.82 1djm s ALA 36 Ca 0.18 -1.60 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1djm s ALA 36 Cb 0.05 1.27 0.12 0.00 0.00 0.00 0.00 23.12 24.56 1djm s ALA 36 CO -0.05 -0.73 1.64 0.93 0.00 0.00 0.00 175.76 177.55 1djm h GLU 37 N 2.24 0.97 -1.61 0.00 4.39 -1.97 -3.48 114.58 115.12 1djm h GLU 37 Ca -0.29 -0.34 0.28 0.00 0.34 0.00 0.00 59.36 59.35 1djm h GLU 37 Cb 1.24 -0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.68 1djm h GLU 37 CO 0.41 1.01 0.76 0.34 -1.16 0.00 0.00 179.01 180.36 1djm s ASP 38 N -6.65 -0.11 0.44 1.42 2.15 -1.26 -4.99 116.67 107.67 1djm s ASP 38 Ca -0.11 -0.12 0.18 0.00 0.43 0.00 0.00 52.55 52.93 1djm s ASP 38 Cb 0.13 0.21 1.12 0.00 -0.30 0.00 0.00 42.92 44.09 1djm s ASP 38 CO 0.85 -0.37 1.92 1.23 -0.17 0.00 0.00 175.17 178.62 1djm h GLY 39 N 2.00 0.60 0.79 2.66 0.00 -1.86 0.43 103.07 107.69 1djm h GLY 39 Ca -0.23 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 46.99 1djm h GLY 39 CO 0.27 0.04 0.31 -2.08 0.00 0.00 0.00 176.54 175.07 1djm h VAL 40 N 0.34 1.00 -0.00 4.60 2.07 -1.90 -1.45 116.25 120.91 1djm h VAL 40 Ca 0.37 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.53 1djm h VAL 40 Cb 0.96 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1djm h VAL 40 CO -0.11 0.11 -0.75 -0.78 0.02 0.00 0.00 177.57 176.06 1djm h ASP 41 N 0.60 0.04 -0.09 0.57 3.58 -1.58 -3.26 116.42 116.27 1djm h ASP 41 Ca 0.23 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.68 1djm h ASP 41 Cb 0.09 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1djm h ASP 41 CO -0.13 0.78 -0.03 0.00 -2.88 0.00 0.00 179.24 176.97 1djm h ALA 42 N 1.22 0.05 -0.58 -0.78 0.00 0.02 0.28 119.26 119.48 1djm h ALA 42 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1djm h ALA 42 Cb 1.33 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 1djm h ALA 42 CO 0.10 -0.50 0.25 1.25 0.00 0.00 0.00 179.25 180.35 1djm h LEU 43 N -0.02 0.30 -1.05 0.00 5.85 -1.37 -0.51 115.31 118.51 1djm h LEU 43 Ca 0.05 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1djm h LEU 43 Cb 0.09 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1djm h LEU 43 CO -0.10 0.19 0.32 -1.13 -0.34 0.00 0.00 178.44 177.38 1djm h ASN 44 N 0.46 0.90 -0.27 1.25 -0.73 -1.48 -1.84 115.58 113.86 1djm h ASN 44 Ca 0.28 -0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.37 1djm h ASN 44 Cb 0.28 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 1djm h ASN 44 CO -0.24 0.77 0.11 0.11 -0.37 0.00 0.00 177.43 177.81 1djm h LYS 45 N 0.99 0.24 -0.19 6.67 1.79 0.42 -3.13 116.57 123.36 1djm h LYS 45 Ca 0.24 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1djm h LYS 45 Cb 0.12 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1djm h LYS 45 CO -0.03 0.16 0.12 -0.07 -1.08 0.00 0.00 179.45 178.55 1djm h LEU 46 N 0.25 0.23 -2.71 2.94 3.38 -0.38 -1.67 115.31 117.35 1djm h LEU 46 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1djm h LEU 46 Cb 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1djm h LEU 46 CO -0.10 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1djm n GLN 47 N -4.93 0.80 -0.14 1.13 10.64 -0.78 -2.20 117.38 121.91 1djm n GLN 47 Ca -0.04 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.84 1djm n GLN 47 Cb 0.05 -1.10 -0.10 0.00 -0.86 0.00 0.00 30.24 28.23 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 1.19 1.22 0.00 2.61 0.00 -0.63 -5.00 120.51 119.90 1djm n ALA 48 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1djm n ALA 48 Cb 0.40 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 1.33 2.58 0.98 0.00 0.00 -0.94 -5.04 105.19 104.11 1djm n GLY 49 Ca -0.54 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 1.00 0.93 3.79 -0.02 0.00 -1.26 -5.06 105.19 104.57 1djm n GLY 50 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.39 2.78 0.00 1.61 1.51 -1.26 -3.03 117.35 116.57 1djm s TYR 51 Ca 0.00 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 1djm s TYR 51 Cb 0.00 -3.02 0.00 0.00 -0.11 0.00 0.00 41.96 38.83 1djm s TYR 51 CO 0.00 -1.69 0.33 0.41 -1.11 0.00 0.00 175.55 173.49 1djm n GLY 52 N -1.66 -0.31 3.01 0.71 0.00 -0.33 -4.85 105.19 101.76 1djm n GLY 52 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1djm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 53 N -0.11 -0.09 -0.49 1.61 0.08 -1.25 -4.36 117.98 113.37 1djm s PHE 53 Ca 0.00 0.22 0.07 0.00 0.12 0.00 0.00 56.93 57.33 1djm s PHE 53 Cb 0.00 0.02 0.23 0.00 -0.57 0.00 0.00 43.02 42.70 1djm s PHE 53 CO 0.00 -0.10 0.56 0.28 -0.10 0.00 0.00 175.22 175.86 1djm n VAL 54 N 2.72 0.29 -2.55 -0.44 0.31 -1.07 -2.00 118.33 115.59 1djm n VAL 54 Ca -0.14 -4.35 -0.40 0.00 -0.01 0.00 0.00 64.34 59.44 1djm n VAL 54 Cb 0.58 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 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 -1.41 3.65 -0.07 2.52 1.01 -0.19 -1.73 121.20 124.96 1djm s ILE 55 Ca 0.35 1.63 -0.21 0.00 0.00 0.00 0.00 60.65 62.42 1djm s ILE 55 Cb 0.13 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1djm s ILE 55 CO -0.10 0.36 0.49 -0.55 0.00 0.00 0.00 174.94 175.15 1djm s SER 56 N -1.01 -0.45 0.85 3.58 0.15 -0.52 -0.42 113.70 115.88 1djm s SER 56 Ca 0.45 0.56 -0.12 0.00 0.70 0.00 0.00 55.95 57.54 1djm s SER 56 Cb -0.30 0.59 0.10 0.00 -1.71 0.00 0.00 66.02 64.71 1djm s SER 56 CO 0.38 -0.43 1.10 -0.62 1.20 0.00 0.00 173.24 174.86 1djm s ASP 57 N -0.86 3.96 -0.10 5.45 -1.08 -0.73 -0.60 116.67 122.72 1djm s ASP 57 Ca -0.09 1.38 -0.22 0.00 -0.52 0.00 0.00 52.55 53.09 1djm s ASP 57 Cb -0.03 -2.08 -0.19 0.00 -1.46 0.00 0.00 42.92 39.16 1djm s ASP 57 CO 0.05 -2.31 0.72 -0.25 0.52 0.00 0.00 175.17 173.90 1djm h TRP 58 N -1.33 -0.04 -2.56 -5.34 2.91 -1.91 -3.37 115.95 104.32 1djm h TRP 58 Ca -0.48 -0.00 -0.73 0.00 1.13 0.00 0.00 58.89 58.80 1djm h TRP 58 Cb 1.28 0.01 -0.20 0.00 -0.51 0.00 0.00 29.16 29.75 1djm h TRP 58 CO 0.44 0.62 0.96 1.21 -1.03 0.00 0.00 178.44 180.64 1djm s ASN 59 N -5.90 6.92 0.20 2.65 3.84 -1.26 -0.81 114.94 120.58 1djm s ASN 59 Ca -0.14 -2.70 0.04 0.00 0.21 0.00 0.00 52.86 50.27 1djm s ASN 59 Cb -0.01 -2.36 -0.05 0.00 -0.55 0.00 0.00 41.25 38.28 1djm s ASN 59 CO 0.53 -0.79 -0.05 0.00 -2.79 0.00 0.00 177.10 174.00 1djm s MET 60 N 1.52 1.24 1.02 0.43 0.23 -1.26 -4.75 119.30 117.73 1djm s MET 60 Ca 0.36 -1.59 -0.16 0.00 -1.03 0.00 0.00 55.69 53.27 1djm s MET 60 Cb -0.05 -0.68 0.21 0.00 -1.53 0.00 0.00 34.83 32.78 1djm s MET 60 CO -0.05 -0.00 1.24 -1.25 -2.03 0.00 0.00 175.02 172.92 1djm s PRO 61 N -3.79 0.21 3.41 3.16 0.04 -1.26 -4.34 135.00 132.43 1djm s PRO 61 Ca 0.23 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1djm s PRO 61 Cb 0.04 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1djm s PRO 61 CO 0.05 -2.73 0.00 0.09 0.04 0.00 0.00 177.00 174.45 1djm n ASN 62 N -4.03 0.00 -4.47 6.66 3.02 -1.26 -4.08 115.26 111.10 1djm n ASN 62 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 1djm n ASN 62 Cb 0.59 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.00 3.19 0.85 3.52 1.75 -1.26 -5.06 119.30 122.28 1djm s MET 63 Ca 0.00 -0.71 -0.12 0.00 -1.25 0.00 0.00 55.69 53.62 1djm s MET 63 Cb 0.00 -4.10 0.11 0.00 2.84 0.00 0.00 34.83 33.68 1djm s MET 63 CO 0.00 -1.37 1.17 0.16 -0.65 0.00 0.00 175.02 174.33 1djm s ASP 64 N 2.87 3.34 0.47 1.11 1.47 -1.26 -4.42 116.67 120.24 1djm s ASP 64 Ca 0.20 2.25 0.23 0.00 1.18 0.00 0.00 52.55 56.41 1djm s ASP 64 Cb -0.17 -2.57 1.15 0.00 -0.34 0.00 0.00 42.92 40.98 1djm s ASP 64 CO 0.14 -2.83 1.96 1.23 0.68 0.00 0.00 175.17 176.35 1djm h GLY 65 N -1.37 0.00 1.32 2.12 0.00 -1.14 -0.70 103.07 103.30 1djm h GLY 65 Ca -0.45 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.69 1djm h GLY 65 CO 0.44 0.00 -0.68 -2.00 0.00 0.00 0.00 176.54 174.30 1djm h LEU 66 N 0.00 0.80 -0.60 3.11 7.12 -1.85 -1.63 115.31 122.26 1djm h LEU 66 Ca -0.00 -0.48 -0.10 0.00 0.13 0.00 0.00 57.88 57.42 1djm h LEU 66 Cb 0.50 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 1djm h LEU 66 CO 0.03 1.26 -0.03 -0.33 -0.13 0.00 0.00 178.44 179.24 1djm h GLU 67 N 0.49 1.07 -0.19 1.25 4.39 -1.61 0.10 114.58 120.08 1djm h GLU 67 Ca -0.02 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.36 1djm h GLU 67 Cb 1.28 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1djm h GLU 67 CO 0.13 1.06 -0.01 1.25 -1.16 0.00 0.00 179.01 180.28 1djm h LEU 68 N 0.97 -0.10 0.27 1.33 5.85 -1.13 -0.24 115.31 122.25 1djm h LEU 68 Ca 0.17 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1djm h LEU 68 Cb 0.59 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1djm h LEU 68 CO 0.04 -0.03 -0.44 0.25 -0.34 0.00 0.00 178.44 177.92 1djm h LEU 69 N 0.04 -1.26 -1.58 2.25 5.85 -1.02 -1.74 115.31 117.85 1djm h LEU 69 Ca 0.09 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1djm h LEU 69 Cb 0.12 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1djm h LEU 69 CO -0.17 -0.55 0.03 0.11 -0.34 0.00 0.00 178.44 177.53 1djm h LYS 70 N -0.78 0.30 -0.12 1.25 1.57 -0.42 0.21 116.57 118.57 1djm h LYS 70 Ca -0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1djm h LYS 70 Cb 0.74 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1djm h LYS 70 CO -0.16 0.30 0.05 1.15 -0.57 0.00 0.00 179.45 180.22 1djm h THR 71 N 0.30 0.99 -0.22 -0.16 2.02 -0.83 0.24 112.91 115.24 1djm h THR 71 Ca 0.07 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1djm h THR 71 Cb 0.15 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1djm h THR 71 CO -0.00 0.02 0.04 0.40 0.37 0.00 0.00 175.52 176.35 1djm h ILE 72 N 0.12 1.22 0.00 3.11 2.04 -0.22 -3.03 117.51 120.75 1djm h ILE 72 Ca 0.05 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1djm h ILE 72 Cb 0.02 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1djm h ILE 72 CO -0.04 0.22 -0.03 0.03 0.00 0.00 0.00 178.15 178.33 1djm h ARG 73 N 0.17 0.00 0.00 2.37 2.47 -0.43 -1.76 114.38 117.20 1djm h ARG 73 Ca 0.07 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1djm h ARG 73 Cb 0.30 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1djm h ARG 73 CO 0.00 0.03 -0.04 0.00 0.56 0.00 0.00 179.97 180.53 1djm h ALA 74 N 1.97 1.00 -2.30 0.04 0.00 -0.40 -3.45 119.26 116.11 1djm h ALA 74 Ca -0.00 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.39 1djm h ALA 74 Cb 0.56 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.39 1djm h ALA 74 CO 0.00 0.05 0.38 0.34 0.00 0.00 0.00 179.25 180.02 1djm s ASP 75 N -5.90 6.11 0.13 0.00 2.15 -0.66 -4.97 116.67 113.52 1djm s ASP 75 Ca 0.03 1.75 0.27 0.00 0.43 0.00 0.00 52.55 55.02 1djm s ASP 75 Cb 0.08 -2.53 0.83 0.00 -0.30 0.00 0.00 42.92 41.00 1djm s ASP 75 CO 0.59 -0.94 1.72 0.61 -0.17 0.00 0.00 175.17 176.98 1djm n GLY 76 N -1.08 -1.58 0.27 2.66 0.00 -1.26 -3.70 105.19 100.50 1djm n GLY 76 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.70 2.19 0.25 4.61 0.00 -1.26 -4.71 120.51 119.89 1djm n ALA 77 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1djm n ALA 77 Cb 0.40 0.27 0.39 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.17 0.10 0.26 0.00 2.81 -1.26 -2.16 117.12 114.70 1djm n MET 78 Ca 0.00 0.48 0.18 0.00 -1.81 0.00 0.00 57.70 56.55 1djm n MET 78 Cb 0.27 -1.76 0.89 0.00 -0.71 0.00 0.00 33.22 31.91 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 1.00 7.83 4.64 -1.63 -0.91 113.55 124.48 1djm h SER 79 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1djm h SER 79 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1djm h SER 79 CO 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 1djm h ALA 80 N 1.61 1.01 -2.91 5.18 0.00 -1.78 -3.47 119.26 118.89 1djm h ALA 80 Ca 0.05 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 1djm h ALA 80 Cb 0.55 -0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.43 1djm h ALA 80 CO -0.00 0.03 0.77 -0.51 0.00 0.00 0.00 179.25 179.54 1djm s LEU 81 N -6.27 4.34 -1.16 0.00 1.43 -0.35 -4.90 118.68 111.77 1djm s LEU 81 Ca 0.01 2.97 -0.21 0.00 -1.03 0.00 0.00 54.13 55.87 1djm s LEU 81 Cb 0.09 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1djm s LEU 81 CO 0.55 -0.82 1.90 -0.81 0.23 0.00 0.00 176.35 177.41 1djm n PRO 82 N 0.74 2.09 -1.67 1.29 -0.04 -1.26 -4.81 135.00 131.34 1djm n PRO 82 Ca 0.02 -2.58 -0.43 0.00 -0.04 0.00 0.00 63.50 60.47 1djm n PRO 82 Cb 0.39 -3.49 -0.03 0.00 -0.04 0.00 0.00 33.50 30.33 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 7.62 3.07 -0.16 0.52 -7.23 -1.26 -2.60 120.40 120.36 1djm s VAL 83 Ca 0.61 0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.84 1djm s VAL 83 Cb 0.04 -3.07 0.05 0.00 0.56 0.00 0.00 36.38 33.96 1djm s VAL 83 CO 0.10 -0.03 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.63 1djm s LEU 84 N 6.66 1.20 -0.27 1.32 2.96 -0.71 -0.94 118.68 128.91 1djm s LEU 84 Ca 0.94 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 54.06 1djm s LEU 84 Cb -0.36 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 1djm s LEU 84 CO 0.37 -0.24 0.57 -0.04 -1.32 0.00 0.00 176.35 175.69 1djm s MET 85 N 1.80 4.04 -0.31 1.98 -1.94 -0.73 -1.44 119.30 122.70 1djm s MET 85 Ca 0.01 0.37 0.02 0.00 -1.71 0.00 0.00 55.69 54.38 1djm s MET 85 Cb -0.15 -3.67 0.09 0.00 2.01 0.00 0.00 34.83 33.11 1djm s MET 85 CO -0.07 -0.41 0.05 0.08 -0.01 0.00 0.00 175.02 174.66 1djm s VAL 86 N 2.42 1.63 0.25 -6.03 1.01 0.23 -0.51 120.40 119.40 1djm s VAL 86 Ca 0.23 -1.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.35 1djm s VAL 86 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1djm s VAL 86 CO 0.09 -0.55 0.32 0.28 0.00 0.00 0.00 175.10 175.23 1djm s THR 87 N 1.25 0.00 -0.71 3.92 -1.32 -0.55 -3.81 115.64 114.42 1djm s THR 87 Ca 0.08 -1.74 0.24 0.00 -1.21 0.00 0.00 61.69 59.07 1djm s THR 87 Cb -0.18 -2.42 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 1djm s THR 87 CO -0.14 0.00 1.29 0.00 -2.21 0.00 0.00 174.62 173.56 1djm n ALA 88 N -0.38 3.12 -2.65 11.08 0.00 -1.26 -1.33 120.51 129.07 1djm n ALA 88 Ca 0.01 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1djm n ALA 88 Cb 0.64 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.14 4.18 -0.09 0.00 2.02 -1.26 -4.63 118.70 115.78 1djm s GLU 89 Ca 0.07 0.46 0.05 0.00 0.02 0.00 0.00 54.97 55.56 1djm s GLU 89 Cb 0.14 -3.58 0.29 0.00 0.10 0.00 0.00 34.13 31.08 1djm s GLU 89 CO 0.73 -0.20 0.97 0.00 0.02 0.00 0.00 175.26 176.78 1djm n ALA 90 N 4.97 3.04 -1.58 5.21 0.00 -1.26 -4.81 120.51 126.08 1djm n ALA 90 Ca -0.04 -0.70 -0.52 0.00 0.00 0.00 0.00 53.44 52.18 1djm n ALA 90 Cb 0.50 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 0.20 1.38 -0.30 0.00 3.00 -1.26 -4.85 118.16 116.33 1djm n LYS 91 Ca 0.11 0.46 -0.01 0.00 -0.00 0.00 0.00 58.31 58.86 1djm n LYS 91 Cb 0.61 -2.42 0.11 0.00 0.00 0.00 0.00 35.03 33.34 1djm n LYS 91 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1djm h LYS 92 N 10.22 0.97 -0.28 1.64 3.64 -2.00 0.10 116.57 130.87 1djm h LYS 92 Ca -0.38 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1djm h LYS 92 Cb 1.31 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1djm h LYS 92 CO 0.99 0.64 0.19 0.93 -2.27 0.00 0.00 179.45 179.93 1djm h GLU 93 N 1.00 0.30 -0.43 1.90 5.08 -1.99 -0.64 114.58 119.80 1djm h GLU 93 Ca 0.34 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1djm h GLU 93 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1djm h GLU 93 CO -0.13 0.20 -0.28 -0.91 -1.00 0.00 0.00 179.01 176.89 1djm h ASN 94 N 0.31 0.96 -0.57 1.42 4.21 -1.20 0.13 115.58 120.83 1djm h ASN 94 Ca 0.11 -0.39 0.04 0.00 1.21 0.00 0.00 56.30 57.27 1djm h ASN 94 Cb 0.06 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 36.95 1djm h ASN 94 CO -0.02 1.17 0.33 0.40 -1.29 0.00 0.00 177.43 178.01 1djm h ILE 95 N 0.78 1.01 0.69 2.81 5.03 -0.23 0.99 117.51 128.60 1djm h ILE 95 Ca 0.09 -0.22 -0.03 0.00 -0.12 0.00 0.00 64.86 64.58 1djm h ILE 95 Cb 0.85 0.32 -0.01 0.00 -3.03 0.00 0.00 36.82 34.96 1djm h ILE 95 CO 0.07 0.12 -0.44 0.40 -0.68 0.00 0.00 178.15 177.62 1djm h ILE 96 N 0.63 0.12 -0.96 -0.67 5.03 -0.80 -1.30 117.51 119.56 1djm h ILE 96 Ca 0.24 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 65.02 1djm h ILE 96 Cb 0.09 0.12 -0.06 0.00 -3.03 0.00 0.00 36.82 33.94 1djm h ILE 96 CO -0.13 0.00 0.62 0.00 -0.68 0.00 0.00 178.15 177.96 1djm h ALA 97 N -0.88 1.27 -0.12 1.87 0.00 -0.50 0.24 119.26 121.14 1djm h ALA 97 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1djm h ALA 97 Cb 0.87 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1djm h ALA 97 CO 0.08 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 1djm h ALA 98 N 1.40 0.08 -0.56 0.00 0.00 -0.77 0.28 119.26 119.68 1djm h ALA 98 Ca 0.38 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 1djm h ALA 98 Cb 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1djm h ALA 98 CO -0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 179.25 178.57 1djm h ALA 99 N 1.12 0.79 0.10 0.00 0.00 0.05 0.12 119.26 121.45 1djm h ALA 99 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1djm h ALA 99 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1djm h ALA 99 CO -0.12 0.67 -0.32 1.96 0.00 0.00 0.00 179.25 181.44 1djm h GLN 100 N 0.93 -0.51 0.00 0.00 1.08 -0.50 -1.92 115.11 114.19 1djm h GLN 100 Ca 0.15 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1djm h GLN 100 Cb 0.64 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1djm h GLN 100 CO 0.04 -0.34 0.00 0.00 -0.95 0.00 0.00 178.83 177.58 1djm n ALA 101 N -2.71 1.48 -2.53 3.87 0.00 0.08 -4.89 120.51 115.79 1djm n ALA 101 Ca -0.06 0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1djm n ALA 101 Cb 0.33 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.48 1djm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djm n GLY 102 N -0.40 0.50 3.74 0.00 0.00 0.01 -4.77 105.19 104.27 1djm n GLY 102 Ca 0.01 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.47 1.61 0.21 4.61 0.00 0.22 -4.91 120.51 119.78 1djm n ALA 103 Ca -0.01 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.67 1djm n ALA 103 Cb 0.52 -2.35 0.44 0.00 0.00 0.00 0.00 19.45 18.06 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 1.60 0.00 -4.86 0.00 4.64 -1.35 -3.46 113.55 110.12 1djm h SER 104 Ca -0.51 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.02 1djm h SER 104 Cb 1.30 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 1djm h SER 104 CO 0.58 0.26 0.64 -0.83 -0.87 0.00 0.00 176.83 176.61 1djm s GLY 105 N -4.30 -0.36 -0.19 -0.77 0.00 -1.24 -4.87 107.32 95.60 1djm s GLY 105 Ca 0.00 0.95 -0.03 0.00 0.00 0.00 0.00 44.72 45.64 1djm s GLY 105 CO 0.65 0.29 0.03 -0.47 0.00 0.00 0.00 173.10 173.59 1djm s TYR 106 N -2.83 1.06 -0.34 1.90 5.04 -1.26 -1.78 117.35 119.14 1djm s TYR 106 Ca 0.09 -0.84 0.04 0.00 -2.44 0.00 0.00 57.07 53.92 1djm s TYR 106 Cb -0.00 -1.03 0.10 0.00 0.35 0.00 0.00 41.96 41.37 1djm s TYR 106 CO -0.05 -0.59 0.05 0.08 -1.34 0.00 0.00 175.55 173.70 1djm s VAL 107 N 1.85 2.21 0.15 3.14 1.01 0.34 -5.01 120.40 124.09 1djm s VAL 107 Ca -0.01 -2.31 -0.15 0.00 0.00 0.00 0.00 61.98 59.51 1djm s VAL 107 Cb -0.17 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 1djm s VAL 107 CO -0.08 -0.60 0.57 -0.69 0.00 0.00 0.00 175.10 174.30 1djm s VAL 108 N 0.93 4.81 0.99 2.92 1.01 -1.26 -1.48 120.40 128.32 1djm s VAL 108 Ca 0.11 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 62.89 1djm s VAL 108 Cb -0.19 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.56 1djm s VAL 108 CO -0.09 0.26 0.78 2.29 0.00 0.00 0.00 175.10 178.35 1djm n LYS 109 N 0.87 -0.82 -2.20 2.72 2.85 -0.44 -3.65 118.16 117.49 1djm n LYS 109 Ca -0.05 -0.19 -0.43 0.00 -1.05 0.00 0.00 58.31 56.59 1djm n LYS 109 Cb 0.52 -2.11 -0.02 0.00 -0.65 0.00 0.00 35.03 32.76 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1djm s PRO 110 N -4.17 3.39 -1.24 -1.58 0.04 -1.26 -5.02 135.00 125.17 1djm s PRO 110 Ca 0.63 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 1djm s PRO 110 Cb -0.22 -4.13 0.17 0.00 0.04 0.00 0.00 34.50 30.37 1djm s PRO 110 CO 0.63 -1.79 1.60 1.97 0.04 0.00 0.00 177.00 179.45 1djm n PHE 111 N 9.72 4.21 -0.75 0.56 1.16 -1.24 -5.00 117.46 126.12 1djm n PHE 111 Ca 0.19 -3.15 -0.29 0.00 -1.87 0.00 0.00 57.45 52.33 1djm n PHE 111 Cb 0.48 -2.09 0.24 0.00 -1.61 0.00 0.00 39.48 36.50 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 1.08 1.81 0.49 1.97 -4.23 -1.26 -4.58 115.64 110.92 1djm s THR 112 Ca 0.42 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.09 1djm s THR 112 Cb 0.02 -2.23 0.24 0.00 1.34 0.00 0.00 72.50 71.86 1djm s THR 112 CO 0.00 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.17 1djm h ALA 113 N -2.60 1.85 0.00 3.99 0.00 -1.94 0.87 119.26 121.42 1djm h ALA 113 Ca -0.55 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1djm h ALA 113 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1djm h ALA 113 CO 0.47 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1djm h ALA 114 N 1.92 1.00 0.00 0.00 0.00 -1.98 0.35 119.26 120.55 1djm h ALA 114 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1djm h ALA 114 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1djm h ALA 114 CO 0.01 0.00 -2.08 -2.37 0.00 0.00 0.00 179.25 174.81 1djm n THR 115 N -2.85 1.09 -0.12 0.00 5.66 0.10 -4.12 114.28 114.04 1djm n THR 115 Ca -0.02 -0.63 -0.06 0.00 -3.05 0.00 0.00 64.05 60.29 1djm n THR 115 Cb 0.11 -0.67 0.02 0.00 -1.55 0.00 0.00 70.33 68.24 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 0.16 -0.28 1.09 7.12 -0.49 -0.49 115.31 122.42 1djm h LEU 116 Ca -0.43 0.04 -0.12 0.00 0.13 0.00 0.00 57.88 57.50 1djm h LEU 116 Cb 1.93 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 42.08 1djm h LEU 116 CO 0.01 0.13 -0.30 1.05 -0.13 0.00 0.00 178.44 179.20 1djm h GLU 117 N 0.30 0.70 -0.05 1.25 -0.00 -1.18 -0.98 114.58 114.63 1djm h GLU 117 Ca 0.18 -0.38 0.01 0.00 -0.00 0.00 0.00 59.36 59.17 1djm h GLU 117 Cb 0.15 0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 28.88 1djm h GLU 117 CO -0.17 0.99 -0.28 1.49 -0.00 0.00 0.00 179.01 181.03 1djm h GLU 118 N 0.44 -0.31 -0.04 1.06 4.57 -1.68 0.04 114.58 118.66 1djm h GLU 118 Ca 0.04 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1djm h GLU 118 Cb 0.87 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1djm h GLU 118 CO 0.07 -0.21 -0.19 1.57 -1.18 0.00 0.00 179.01 179.07 1djm h LYS 119 N -0.32 0.06 0.33 1.92 5.09 -1.04 0.67 116.57 123.28 1djm h LYS 119 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 1djm h LYS 119 Cb 0.36 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.69 1djm h LYS 119 CO -0.21 0.25 -0.16 -0.07 -2.09 0.00 0.00 179.45 177.17 1djm h LEU 120 N 0.06 -0.37 -1.36 7.07 3.38 -0.89 -1.73 115.31 121.48 1djm h LEU 120 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1djm h LEU 120 Cb 0.37 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1djm h LEU 120 CO 0.03 -0.13 0.26 -1.13 0.09 0.00 0.00 178.44 177.56 1djm h ASN 121 N -0.60 0.62 0.01 -0.43 -0.73 -0.40 0.11 115.58 114.16 1djm h ASN 121 Ca -0.04 -0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.11 1djm h ASN 121 Cb 0.44 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 1djm h ASN 121 CO 0.07 0.52 -0.41 0.50 -0.37 0.00 0.00 177.43 177.75 1djm h LYS 122 N 0.71 -0.55 0.00 6.67 1.63 -0.77 -0.58 116.57 123.67 1djm h LYS 122 Ca 0.18 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1djm h LYS 122 Cb 0.04 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1djm h LYS 122 CO -0.03 -0.37 -0.20 -0.84 -3.45 0.00 0.00 179.45 174.56 1djm h ILE 123 N -0.57 0.00 0.20 2.00 3.07 -0.52 0.14 117.51 121.84 1djm h ILE 123 Ca 0.05 -0.75 -0.01 0.00 1.55 0.00 0.00 64.86 65.70 1djm h ILE 123 Cb 0.64 1.64 -0.00 0.00 -0.27 0.00 0.00 36.82 38.83 1djm h ILE 123 CO -0.30 0.00 -0.14 -0.26 -1.05 0.00 0.00 178.15 176.40 1djm h PHE 124 N 0.00 -0.37 -0.32 0.16 0.04 -0.68 -1.68 116.94 114.09 1djm h PHE 124 Ca 0.00 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1djm h PHE 124 Cb 0.88 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 1djm h PHE 124 CO 0.00 -0.20 -0.29 0.93 -0.60 0.00 0.00 178.31 178.15 1djm h GLU 125 N -0.32 0.67 0.04 1.51 5.08 -0.89 0.46 114.58 121.13 1djm h GLU 125 Ca -0.03 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1djm h GLU 125 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1djm h GLU 125 CO 0.02 0.89 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.68 1djm h LYS 126 N 0.58 -0.05 0.00 2.33 3.11 -0.85 -3.37 116.57 118.31 1djm h LYS 126 Ca 0.07 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.82 1djm h LYS 126 Cb 0.79 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1djm h LYS 126 CO 0.07 -0.03 -0.45 -0.07 -2.81 0.00 0.00 179.45 176.15 1djm h LEU 127 N -0.28 0.00 0.00 5.20 3.38 -1.55 -3.47 115.31 118.59 1djm h LEU 127 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1djm h LEU 127 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1djm h LEU 127 CO 0.01 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1djm n GLY 128 N -0.18 1.27 0.00 0.83 0.00 0.07 -5.05 105.19 102.12 1djm n GLY 128 Ca -0.02 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35