#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 -0.61 1.28 -5.12 0.00 -1.26 -5.17 121.76 110.87 1djm s ALA 2 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 1djm s ALA 2 Cb 0.00 0.87 0.32 0.00 0.00 0.00 0.00 23.12 24.31 1djm s ALA 2 CO 0.00 -0.77 0.99 -0.51 0.00 0.00 0.00 175.76 175.47 1djm s ASP 3 N -2.91 0.09 0.48 0.00 1.01 -1.26 -4.92 116.67 109.16 1djm s ASP 3 Ca 0.13 1.21 0.16 0.00 0.71 0.00 0.00 52.55 54.76 1djm s ASP 3 Cb 0.00 -1.84 1.14 0.00 1.01 0.00 0.00 42.92 43.23 1djm s ASP 3 CO -0.01 -4.71 2.06 0.50 0.21 0.00 0.00 175.17 173.23 1djm h LYS 4 N -2.97 0.00 -6.63 8.23 3.64 -2.06 -3.47 116.57 113.32 1djm h LYS 4 Ca -0.55 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.30 1djm h LYS 4 Cb 1.34 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.05 1djm h LYS 4 CO 0.42 0.10 -0.88 0.39 -2.27 0.00 0.00 179.45 177.21 1djm n GLU 5 N -4.39 -3.02 -1.48 1.90 1.02 -1.26 -4.81 120.64 108.59 1djm n GLU 5 Ca -0.03 0.36 -0.48 0.00 -0.02 0.00 0.00 57.16 56.99 1djm n GLU 5 Cb 0.18 -4.60 -0.06 0.00 -0.02 0.00 0.00 31.44 26.94 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 -4.42 2.36 -4.74 -4.62 7.94 -1.26 -4.86 117.00 107.41 1djm n LEU 6 Ca -0.20 0.32 -0.41 0.00 -1.11 0.00 0.00 56.01 54.61 1djm n LEU 6 Cb 0.63 -1.34 -0.04 0.00 0.53 0.00 0.00 43.42 43.21 1djm n LEU 6 CO 0.79 -0.76 0.81 -0.75 -1.11 0.00 0.00 177.39 176.38 1djm s LYS 7 N 6.39 4.56 0.18 1.96 2.47 -1.26 -4.80 119.74 129.24 1djm s LYS 7 Ca 1.08 1.74 -0.08 0.00 -1.56 0.00 0.00 55.97 57.15 1djm s LYS 7 Cb -0.72 -3.28 -0.06 0.00 -1.46 0.00 0.00 37.83 32.31 1djm s LYS 7 CO 0.45 0.02 0.47 -0.06 0.16 0.00 0.00 175.35 176.39 1djm s PHE 8 N -0.08 3.46 -0.03 4.03 0.40 -0.26 -0.91 117.98 124.59 1djm s PHE 8 Ca 0.51 0.76 0.07 0.00 -0.60 0.00 0.00 56.93 57.66 1djm s PHE 8 Cb -0.30 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 1djm s PHE 8 CO 0.35 0.35 -0.23 -1.17 0.70 0.00 0.00 175.22 175.22 1djm s LEU 9 N -2.66 2.04 -0.24 -0.37 2.96 -0.03 -1.05 118.68 119.33 1djm s LEU 9 Ca 0.44 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1djm s LEU 9 Cb -0.12 -1.23 0.07 0.00 0.50 0.00 0.00 46.19 45.41 1djm s LEU 9 CO 0.22 0.26 0.00 -0.69 -1.32 0.00 0.00 176.35 174.83 1djm s VAL 10 N -0.39 1.14 -0.50 1.68 1.01 -0.32 -1.16 120.40 121.86 1djm s VAL 10 Ca 0.04 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1djm s VAL 10 Cb -0.11 -1.57 0.37 0.00 0.00 0.00 0.00 36.38 35.08 1djm s VAL 10 CO 0.01 -0.24 0.95 0.52 0.00 0.00 0.00 175.10 176.33 1djm n VAL 11 N 4.80 2.27 -0.63 2.92 0.31 0.30 -3.64 118.33 124.66 1djm n VAL 11 Ca -0.09 -5.12 -0.30 0.00 -0.01 0.00 0.00 64.34 58.82 1djm n VAL 11 Cb 0.45 -1.06 0.19 0.00 -0.91 0.00 0.00 33.84 32.51 1djm n VAL 11 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1djm s ASP 12 N -3.30 2.29 -0.11 4.52 -4.77 -1.26 -0.64 116.67 113.40 1djm s ASP 12 Ca 0.46 2.01 -0.26 0.00 -3.30 0.00 0.00 52.55 51.46 1djm s ASP 12 Cb 0.33 -2.50 -0.28 0.00 -1.09 0.00 0.00 42.92 39.38 1djm s ASP 12 CO -0.13 -3.47 0.78 -0.78 0.70 0.00 0.00 175.17 172.28 1djm h ASP 13 N -2.12 0.18 0.42 2.11 3.58 -1.88 -3.41 116.42 115.30 1djm h ASP 13 Ca -0.49 -0.96 0.00 0.00 0.42 0.00 0.00 57.03 56.01 1djm h ASP 13 Cb 1.29 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1djm h ASP 13 CO 0.44 1.18 0.00 0.15 -2.88 0.00 0.00 179.24 178.13 1djm h PHE 14 N -0.75 0.00 0.00 0.28 3.57 -1.94 -3.46 116.94 114.64 1djm h PHE 14 Ca -0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1djm h PHE 14 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1djm h PHE 14 CO 0.24 0.00 0.00 0.45 -2.23 0.00 0.00 178.31 176.77 1djm n SER 15 N -3.07 0.00 -0.28 0.41 2.88 -1.26 -4.29 113.62 108.01 1djm n SER 15 Ca -0.02 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.67 1djm n SER 15 Cb 0.17 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.04 1djm n SER 15 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1djm h THR 16 N 0.00 0.75 0.00 2.46 2.02 -1.98 -1.12 112.91 115.04 1djm h THR 16 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1djm h THR 16 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1djm h THR 16 CO 0.00 0.11 0.00 -0.03 0.37 0.00 0.00 175.52 175.97 1djm h MET 17 N 0.60 0.00 -0.17 6.66 -1.53 -1.94 -0.49 114.93 118.06 1djm h MET 17 Ca 0.48 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.74 1djm h MET 17 Cb 0.93 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.97 1djm h MET 17 CO -0.23 0.00 0.08 0.00 0.14 0.00 0.00 176.91 176.90 1djm h ARG 18 N 0.00 0.24 0.09 0.39 3.08 -1.55 -0.14 114.38 116.49 1djm h ARG 18 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1djm h ARG 18 Cb 0.35 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1djm h ARG 18 CO 0.00 0.28 -0.17 0.00 -1.07 0.00 0.00 179.97 179.00 1djm h ARG 19 N 0.15 -0.32 0.05 0.04 2.47 -1.14 -0.09 114.38 115.54 1djm h ARG 19 Ca 0.06 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1djm h ARG 19 Cb 0.11 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1djm h ARG 19 CO -0.01 -0.21 -0.08 0.82 0.56 0.00 0.00 179.97 181.05 1djm h ILE 20 N -0.33 0.00 -0.52 2.04 5.03 -1.18 -1.14 117.51 121.41 1djm h ILE 20 Ca 0.03 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.84 1djm h ILE 20 Cb 0.36 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.08 1djm h ILE 20 CO -0.10 0.00 0.17 0.58 -0.68 0.00 0.00 178.15 178.11 1djm h VAL 21 N -0.14 0.79 -0.42 1.67 2.07 -0.94 0.26 116.25 119.54 1djm h VAL 21 Ca -0.01 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1djm h VAL 21 Cb 0.13 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1djm h VAL 21 CO -0.02 0.06 0.05 -0.09 0.02 0.00 0.00 177.57 177.59 1djm h ARG 22 N 0.33 0.65 -0.07 1.57 2.43 -1.00 0.02 114.38 118.32 1djm h ARG 22 Ca 0.26 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 1djm h ARG 22 Cb 0.30 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1djm h ARG 22 CO -0.28 0.63 -0.63 -0.97 -1.51 0.00 0.00 179.97 177.22 1djm h ASN 23 N 0.63 0.29 -0.22 -3.80 -1.24 0.23 0.31 115.58 111.78 1djm h ASN 23 Ca 0.14 -0.17 -0.11 0.00 0.71 0.00 0.00 56.30 56.86 1djm h ASN 23 Cb 0.32 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1djm h ASN 23 CO 0.01 0.84 -0.25 -0.07 -1.29 0.00 0.00 177.43 176.67 1djm h LEU 24 N 0.18 0.71 -0.78 0.34 3.38 -0.53 -1.57 115.31 117.04 1djm h LEU 24 Ca -0.01 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 1djm h LEU 24 Cb 1.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1djm h LEU 24 CO 0.10 0.94 -0.23 -0.07 0.09 0.00 0.00 178.44 179.27 1djm h LEU 25 N 0.60 0.68 -1.17 1.67 3.38 -0.78 -2.85 115.31 116.84 1djm h LEU 25 Ca 0.08 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1djm h LEU 25 Cb 0.75 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1djm h LEU 25 CO 0.06 0.89 -0.05 0.11 0.09 0.00 0.00 178.44 179.54 1djm h LYS 26 N 0.59 0.52 0.35 1.13 1.79 -0.62 0.26 116.57 120.58 1djm h LYS 26 Ca 0.08 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1djm h LYS 26 Cb 0.70 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1djm h LYS 26 CO 0.05 0.58 -0.26 0.93 -1.08 0.00 0.00 179.45 179.68 1djm h GLU 27 N 0.49 -0.56 0.00 3.15 4.39 -1.07 -3.42 114.58 117.56 1djm h GLU 27 Ca 0.10 0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.70 1djm h GLU 27 Cb 0.40 0.13 -0.26 0.00 -0.10 0.00 0.00 28.75 28.92 1djm h GLU 27 CO 0.02 -0.37 -0.72 1.47 -1.16 0.00 0.00 179.01 178.24 1djm n LEU 28 N -3.91 0.28 0.00 1.33 -0.00 -1.12 -5.04 117.00 108.55 1djm n LEU 28 Ca -0.07 -1.85 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 1djm n LEU 28 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1djm n LEU 28 CO 0.16 0.78 0.00 0.61 -0.00 0.00 0.00 177.39 178.94 1djm n GLY 29 N 0.28 2.22 3.30 1.47 0.00 0.84 -4.86 105.19 108.45 1djm n GLY 29 Ca -0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 2.63 1.46 0.40 1.61 0.40 -0.73 -4.90 117.98 118.86 1djm s PHE 30 Ca 0.00 -1.51 0.00 0.00 -0.60 0.00 0.00 56.93 54.82 1djm s PHE 30 Cb 0.00 -0.56 -0.00 0.00 0.51 0.00 0.00 43.02 42.97 1djm s PHE 30 CO 0.00 -0.85 0.00 0.27 0.70 0.00 0.00 175.22 175.34 1djm n ASN 31 N -1.15 3.05 -2.97 1.36 0.23 -1.26 -4.14 115.26 110.37 1djm n ASN 31 Ca 0.05 -2.77 -0.03 0.00 -0.53 0.00 0.00 54.58 51.29 1djm n ASN 31 Cb 0.63 0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 1djm n ASN 31 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1djm n ASN 32 N -1.26 -7.86 -4.24 0.53 4.13 -1.26 -4.63 115.26 100.67 1djm n ASN 32 Ca -0.16 0.19 -0.33 0.00 1.68 0.00 0.00 54.58 55.96 1djm n ASN 32 Cb 0.51 -5.35 -0.16 0.00 -1.54 0.00 0.00 39.78 33.25 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1djm s VAL 33 N -2.83 2.51 0.60 2.41 -7.23 -1.26 -1.11 120.40 113.49 1djm s VAL 33 Ca 0.11 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.47 1djm s VAL 33 Cb -0.03 -2.05 0.06 0.00 0.56 0.00 0.00 36.38 34.93 1djm s VAL 33 CO 0.76 0.52 0.83 -1.61 -0.31 0.00 0.00 175.10 175.29 1djm s GLU 34 N 0.84 2.28 0.31 4.82 8.01 -0.22 -4.96 118.70 129.79 1djm s GLU 34 Ca -0.05 -0.96 0.03 0.00 0.01 0.00 0.00 54.97 54.00 1djm s GLU 34 Cb -0.15 -2.46 -0.04 0.00 -4.31 0.00 0.00 34.13 27.16 1djm s GLU 34 CO -0.01 -0.92 0.14 -1.21 0.01 0.00 0.00 175.26 173.27 1djm s GLU 35 N -4.85 1.61 0.33 1.61 8.01 -1.26 -1.18 118.70 122.97 1djm s GLU 35 Ca 0.60 -1.92 0.05 0.00 0.01 0.00 0.00 54.97 53.71 1djm s GLU 35 Cb -0.09 -0.23 -0.03 0.00 -4.31 0.00 0.00 34.13 29.47 1djm s GLU 35 CO 0.40 -0.41 0.21 0.00 0.01 0.00 0.00 175.26 175.47 1djm s ALA 36 N -3.56 2.01 0.08 5.21 0.00 -1.24 -4.90 121.76 119.35 1djm s ALA 36 Ca 0.35 -1.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 1djm s ALA 36 Cb 0.05 1.28 -0.23 0.00 0.00 0.00 0.00 23.12 24.22 1djm s ALA 36 CO 0.17 -0.57 1.18 0.93 0.00 0.00 0.00 175.76 177.46 1djm h GLU 37 N 2.14 0.57 -1.19 0.00 5.08 -1.95 -3.46 114.58 115.76 1djm h GLU 37 Ca -0.30 -0.70 0.32 0.00 -1.00 0.00 0.00 59.36 57.69 1djm h GLU 37 Cb 1.24 0.22 -0.18 0.00 0.50 0.00 0.00 28.75 30.53 1djm h GLU 37 CO 0.45 1.29 0.92 0.34 -1.00 0.00 0.00 179.01 181.01 1djm s ASP 38 N -7.29 -0.05 0.30 1.42 2.15 -1.26 -4.89 116.67 107.04 1djm s ASP 38 Ca -0.08 -0.02 0.05 0.00 0.43 0.00 0.00 52.55 52.93 1djm s ASP 38 Cb 0.07 0.06 0.76 0.00 -0.30 0.00 0.00 42.92 43.51 1djm s ASP 38 CO 0.91 -0.11 1.70 1.23 -0.17 0.00 0.00 175.17 178.73 1djm h GLY 39 N 2.00 1.59 1.36 2.66 0.00 -1.92 0.27 103.07 109.04 1djm h GLY 39 Ca -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1djm h GLY 39 CO 0.23 -0.27 0.37 -2.08 0.00 0.00 0.00 176.54 174.78 1djm h VAL 40 N 0.42 1.18 0.12 4.60 2.07 -1.96 -0.44 116.25 122.25 1djm h VAL 40 Ca 0.58 -0.41 -0.28 0.00 0.82 0.00 0.00 66.70 67.41 1djm h VAL 40 Cb 1.10 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1djm h VAL 40 CO -0.53 0.19 -1.22 -0.78 0.02 0.00 0.00 177.57 175.26 1djm h ASP 41 N 0.87 0.55 -0.39 0.57 1.82 -1.58 -3.23 116.42 115.03 1djm h ASP 41 Ca 0.23 -0.55 0.03 0.00 -0.39 0.00 0.00 57.03 56.35 1djm h ASP 41 Cb -0.02 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 39.78 1djm h ASP 41 CO -0.04 1.41 0.18 0.00 -1.61 0.00 0.00 179.24 179.17 1djm h ALA 42 N 0.52 0.48 -0.50 -0.78 0.00 0.32 0.22 119.26 119.52 1djm h ALA 42 Ca -0.15 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1djm h ALA 42 Cb 1.92 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.60 1djm h ALA 42 CO 0.21 -0.19 0.06 1.25 0.00 0.00 0.00 179.25 180.57 1djm h LEU 43 N 0.37 -0.09 -1.59 0.00 5.85 -1.19 -0.16 115.31 118.49 1djm h LEU 43 Ca 0.17 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1djm h LEU 43 Cb 0.10 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1djm h LEU 43 CO -0.13 -0.02 0.00 -1.13 -0.34 0.00 0.00 178.44 176.82 1djm h ASN 44 N 0.18 0.00 -0.04 1.25 -1.24 -1.30 -1.01 115.58 113.42 1djm h ASN 44 Ca 0.25 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 1djm h ASN 44 Cb 0.37 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.41 1djm h ASN 44 CO -0.37 0.00 -0.03 0.11 -1.29 0.00 0.00 177.43 175.85 1djm h LYS 45 N 0.00 0.09 0.09 6.67 6.56 0.76 -3.15 116.57 127.59 1djm h LYS 45 Ca 0.00 -0.05 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1djm h LYS 45 Cb 0.46 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.08 1djm h LYS 45 CO 0.00 0.53 -0.28 -0.07 -2.06 0.00 0.00 179.45 177.57 1djm h LEU 46 N -0.34 -0.80 0.00 2.94 3.38 -0.11 0.14 115.31 120.52 1djm h LEU 46 Ca 0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1djm h LEU 46 Cb 0.51 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1djm h LEU 46 CO 0.01 -0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.18 1djm n GLN 47 N -5.39 0.48 0.24 1.13 10.64 -0.76 -2.89 117.38 120.83 1djm n GLN 47 Ca -0.06 0.02 0.08 0.00 -1.83 0.00 0.00 57.00 55.21 1djm n GLN 47 Cb 0.30 -1.50 0.59 0.00 -0.86 0.00 0.00 30.24 28.77 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1djm h ALA 48 N 3.00 1.60 -3.00 2.61 0.00 -0.91 -3.47 119.26 119.09 1djm h ALA 48 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1djm h ALA 48 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1djm h ALA 48 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1djm n GLY 49 N -0.98 -2.29 3.15 0.00 0.00 -1.14 -5.10 105.19 98.83 1djm n GLY 49 Ca -0.02 0.77 0.02 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.29 0.46 -0.02 0.00 -1.25 -5.08 107.32 100.13 1djm s GLY 50 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 1djm s GLY 50 CO 0.00 3.75 0.85 -0.19 0.00 0.00 0.00 173.10 177.51 1djm s TYR 51 N 2.03 3.49 -0.00 1.90 1.51 -1.26 -4.24 117.35 120.78 1djm s TYR 51 Ca 0.15 1.15 -0.02 0.00 -1.01 0.00 0.00 57.07 57.34 1djm s TYR 51 Cb -0.04 -2.54 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1djm s TYR 51 CO -0.11 -0.24 -0.04 0.41 -1.11 0.00 0.00 175.55 174.46 1djm n GLY 52 N -1.60 -0.14 3.77 0.71 0.00 -0.09 -4.88 105.19 102.96 1djm n GLY 52 Ca 0.04 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.40 3.75 -0.18 1.61 0.40 -1.09 -4.26 117.98 116.82 1djm s PHE 53 Ca -0.03 1.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.62 1djm s PHE 53 Cb 0.00 -2.65 0.05 0.00 0.51 0.00 0.00 43.02 40.93 1djm s PHE 53 CO 0.05 0.40 -0.04 0.08 0.70 0.00 0.00 175.22 176.42 1djm s VAL 54 N -0.47 1.04 -0.09 -0.44 1.01 -1.26 -0.85 120.40 119.34 1djm s VAL 54 Ca 0.33 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1djm s VAL 54 Cb -0.20 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1djm s VAL 54 CO 0.20 0.05 -0.11 -0.63 0.00 0.00 0.00 175.10 174.61 1djm s ILE 55 N 1.65 1.16 0.25 2.22 1.01 -0.31 -0.96 121.20 126.23 1djm s ILE 55 Ca -0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 1djm s ILE 55 Cb -0.16 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1djm s ILE 55 CO -0.07 0.37 0.60 -0.94 0.00 0.00 0.00 174.94 174.90 1djm s SER 56 N 1.08 -0.22 0.86 3.58 1.04 -0.61 -0.54 113.70 118.90 1djm s SER 56 Ca -0.06 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 1djm s SER 56 Cb -0.14 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.74 1djm s SER 56 CO -0.01 -1.22 1.12 -0.62 0.98 0.00 0.00 173.24 173.49 1djm s ASP 57 N -2.94 3.93 -0.00 7.02 -1.08 0.19 -0.52 116.67 123.27 1djm s ASP 57 Ca 0.14 1.13 -0.19 0.00 -0.52 0.00 0.00 52.55 53.11 1djm s ASP 57 Cb -0.03 -1.78 -0.31 0.00 -1.46 0.00 0.00 42.92 39.34 1djm s ASP 57 CO 0.05 -2.30 0.99 -0.25 0.52 0.00 0.00 175.17 174.18 1djm h TRP 58 N -1.32 0.75 0.00 -5.34 2.91 -1.91 -3.33 115.95 107.71 1djm h TRP 58 Ca -0.49 -0.51 -0.46 0.00 1.13 0.00 0.00 58.89 58.56 1djm h TRP 58 Cb 1.30 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.90 1djm h TRP 58 CO 0.37 1.38 2.18 -1.71 -1.03 0.00 0.00 178.44 179.63 1djm n ASN 59 N -3.98 6.92 -4.83 2.65 2.85 -1.26 -0.83 115.26 116.77 1djm n ASN 59 Ca -0.14 -2.48 -0.30 0.00 -0.11 0.00 0.00 54.58 51.55 1djm n ASN 59 Cb 0.90 -1.42 0.08 0.00 1.24 0.00 0.00 39.78 40.58 1djm n ASN 59 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1djm s MET 60 N 1.92 2.17 0.08 1.20 -1.94 -1.26 -4.72 119.30 116.75 1djm s MET 60 Ca 0.64 0.50 -0.13 0.00 -1.71 0.00 0.00 55.69 54.99 1djm s MET 60 Cb 0.22 -1.94 -0.21 0.00 2.01 0.00 0.00 34.83 34.90 1djm s MET 60 CO -0.03 -1.53 1.21 -1.00 -0.01 0.00 0.00 175.02 173.65 1djm h PRO 61 N -1.02 0.68 0.00 2.03 0.13 -1.92 -3.44 132.00 128.46 1djm h PRO 61 Ca -0.47 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 63.94 1djm h PRO 61 Cb 1.28 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1djm h PRO 61 CO 0.61 1.30 -0.00 -1.71 -0.23 0.00 0.00 178.00 177.98 1djm n ASN 62 N -3.85 0.10 -4.44 1.44 2.85 -1.26 -4.90 115.26 105.21 1djm n ASN 62 Ca -0.10 0.01 -0.44 0.00 -0.11 0.00 0.00 54.58 53.94 1djm n ASN 62 Cb 0.87 -0.04 -0.01 0.00 1.24 0.00 0.00 39.78 41.85 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 -1.09 3.94 0.24 1.20 1.75 -1.26 -5.02 119.30 119.05 1djm s MET 63 Ca -0.00 -2.41 -0.27 0.00 -1.25 0.00 0.00 55.69 51.76 1djm s MET 63 Cb 0.00 -4.94 -0.16 0.00 2.84 0.00 0.00 34.83 32.57 1djm s MET 63 CO 0.00 -1.69 0.58 -3.47 -0.65 0.00 0.00 175.02 169.78 1djm n ASP 64 N 5.53 -0.90 0.31 1.11 2.03 -1.26 -3.99 116.55 119.37 1djm n ASP 64 Ca 0.31 1.11 0.19 0.00 0.52 0.00 0.00 54.79 56.92 1djm n ASP 64 Cb 0.44 -1.01 0.95 0.00 -0.72 0.00 0.00 41.12 40.78 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1djm h GLY 65 N 1.12 0.00 1.28 0.27 0.00 -1.10 0.23 103.07 104.87 1djm h GLY 65 Ca -0.31 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 1djm h GLY 65 CO 0.57 0.00 -0.47 -2.00 0.00 0.00 0.00 176.54 174.64 1djm h LEU 66 N 0.00 0.84 -0.45 3.11 7.12 -1.86 -1.66 115.31 122.40 1djm h LEU 66 Ca -0.00 -0.41 -0.11 0.00 0.13 0.00 0.00 57.88 57.48 1djm h LEU 66 Cb 0.24 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1djm h LEU 66 CO 0.00 1.17 -0.16 -0.33 -0.13 0.00 0.00 178.44 179.00 1djm h GLU 67 N 0.61 0.91 0.05 1.25 4.39 -0.89 0.59 114.58 121.49 1djm h GLU 67 Ca 0.03 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.37 1djm h GLU 67 Cb 1.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1djm h GLU 67 CO 0.10 1.02 -0.07 1.25 -1.16 0.00 0.00 179.01 180.16 1djm h LEU 68 N 0.75 -0.18 0.09 1.33 5.85 -1.25 0.16 115.31 122.06 1djm h LEU 68 Ca 0.11 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1djm h LEU 68 Cb 0.71 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1djm h LEU 68 CO 0.05 -0.10 -0.36 0.25 -0.34 0.00 0.00 178.44 177.94 1djm h LEU 69 N -0.14 -1.07 -1.56 2.25 5.85 -1.24 -0.95 115.31 118.45 1djm h LEU 69 Ca 0.01 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1djm h LEU 69 Cb 0.15 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1djm h LEU 69 CO -0.03 -0.44 -0.18 0.11 -0.34 0.00 0.00 178.44 177.55 1djm h LYS 70 N -0.58 0.00 0.18 1.25 1.57 -0.51 0.49 116.57 118.97 1djm h LYS 70 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1djm h LYS 70 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1djm h LYS 70 CO -0.23 0.18 -0.08 1.15 -0.57 0.00 0.00 179.45 179.90 1djm h THR 71 N 0.00 0.91 0.00 -0.16 2.02 -0.45 -1.73 112.91 113.50 1djm h THR 71 Ca -0.00 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1djm h THR 71 Cb 0.52 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1djm h THR 71 CO 0.02 0.10 -0.19 0.40 0.37 0.00 0.00 175.52 176.22 1djm h ILE 72 N -0.44 1.00 -0.38 3.11 2.04 0.25 -1.30 117.51 121.79 1djm h ILE 72 Ca -0.02 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1djm h ILE 72 Cb 0.34 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1djm h ILE 72 CO 0.04 0.18 0.00 -1.14 0.00 0.00 0.00 178.15 177.23 1djm n ARG 73 N -4.12 2.20 0.21 2.37 0.00 0.16 -2.91 116.66 114.56 1djm n ARG 73 Ca -0.02 -1.49 0.15 0.00 -0.00 0.00 0.00 57.85 56.48 1djm n ARG 73 Cb 0.26 -1.45 0.72 0.00 0.00 0.00 0.00 32.46 31.98 1djm n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1djm h ALA 74 N 3.57 1.00 -2.04 5.13 0.00 -0.29 -3.48 119.26 123.16 1djm h ALA 74 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.12 1djm h ALA 74 Cb 0.72 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 1djm h ALA 74 CO 0.06 0.00 -0.69 -3.47 0.00 0.00 0.00 179.25 175.16 1djm n ASP 75 N -2.53 -4.76 0.00 0.00 2.03 -1.26 -4.89 116.55 105.15 1djm n ASP 75 Ca -0.01 0.78 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1djm n ASP 75 Cb 0.12 -2.87 0.00 0.00 -0.72 0.00 0.00 41.12 37.65 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1djm n GLY 76 N -3.44 0.31 2.79 0.27 0.00 -1.26 -4.79 105.19 99.08 1djm n GLY 76 Ca -0.05 0.00 -0.03 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 s ALA 77 N -1.88 -3.01 0.00 4.61 0.00 -1.26 -5.01 121.76 115.21 1djm s ALA 77 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1djm s ALA 77 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1djm s ALA 77 CO 0.00 -2.34 0.00 -1.33 0.00 0.00 0.00 175.76 172.09 1djm n MET 78 N 3.08 0.00 0.28 0.00 2.81 -1.26 -4.83 117.12 117.20 1djm n MET 78 Ca 0.14 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.20 1djm n MET 78 Cb 0.59 0.00 0.90 0.00 -0.71 0.00 0.00 33.22 34.00 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 -0.17 7.83 4.64 -1.87 0.34 113.55 124.32 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 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1djm h SER 79 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1djm n ALA 80 N -1.91 2.52 -2.37 5.18 0.00 -1.26 -4.91 120.51 117.76 1djm n ALA 80 Ca -0.02 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1djm n ALA 80 Cb 0.16 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.57 4.34 -1.53 0.00 1.43 0.11 -4.94 118.68 116.51 1djm s LEU 81 Ca 0.32 2.02 -0.10 0.00 -1.03 0.00 0.00 54.13 55.34 1djm s LEU 81 Cb 0.17 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 1djm s LEU 81 CO 0.26 -0.57 2.67 -0.81 0.23 0.00 0.00 176.35 178.13 1djm n PRO 82 N 4.52 3.63 -1.56 1.29 -0.04 -1.26 -4.92 135.00 136.66 1djm n PRO 82 Ca 0.10 -2.53 -0.47 0.00 -0.04 0.00 0.00 63.50 60.57 1djm n PRO 82 Cb 0.45 -2.90 -0.05 0.00 -0.04 0.00 0.00 33.50 30.97 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 3.66 0.34 -3.88 0.52 0.24 -1.25 -4.27 118.33 113.69 1djm n VAL 83 Ca 0.69 -0.32 -0.36 0.00 -2.04 0.00 0.00 64.34 62.31 1djm n VAL 83 Cb 0.28 -2.11 -0.14 0.00 -1.47 0.00 0.00 33.84 30.40 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 7.12 3.50 0.06 1.34 2.96 -0.13 -0.30 118.68 133.23 1djm s LEU 84 Ca 1.02 -0.85 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 1djm s LEU 84 Cb -0.59 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1djm s LEU 84 CO 0.43 -0.17 1.12 -0.04 -1.32 0.00 0.00 176.35 176.37 1djm s MET 85 N 1.38 4.50 -0.23 1.98 -1.94 -0.65 -1.57 119.30 122.78 1djm s MET 85 Ca 0.00 1.66 -0.04 0.00 -1.71 0.00 0.00 55.69 55.60 1djm s MET 85 Cb -0.17 -3.37 0.08 0.00 2.01 0.00 0.00 34.83 33.38 1djm s MET 85 CO -0.02 -0.13 0.10 0.08 -0.01 0.00 0.00 175.02 175.04 1djm s VAL 86 N 0.81 0.06 0.32 -6.03 1.01 0.32 -0.79 120.40 116.10 1djm s VAL 86 Ca 0.55 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1djm s VAL 86 Cb -0.27 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1djm s VAL 86 CO 0.30 -0.49 0.27 0.28 0.00 0.00 0.00 175.10 175.46 1djm s THR 87 N 2.05 0.00 -0.12 3.92 -1.32 -0.55 -3.66 115.64 115.96 1djm s THR 87 Ca 0.05 -2.00 0.17 0.00 -1.21 0.00 0.00 61.69 58.70 1djm s THR 87 Cb -0.16 -2.50 -0.16 0.00 -1.51 0.00 0.00 72.50 68.17 1djm s THR 87 CO -0.22 0.00 0.75 0.00 -2.21 0.00 0.00 174.62 172.95 1djm n ALA 88 N -0.61 1.90 -2.55 11.08 0.00 -1.26 -1.00 120.51 128.06 1djm n ALA 88 Ca 0.07 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 1djm n ALA 88 Cb 0.62 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.89 4.21 0.00 0.00 2.02 -1.26 -4.16 118.70 116.62 1djm s GLU 89 Ca -0.04 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1djm s GLU 89 Cb 0.09 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1djm s GLU 89 CO 0.82 0.40 0.00 0.00 0.02 0.00 0.00 175.26 176.50 1djm n ALA 90 N 2.74 0.00 -2.30 5.21 0.00 -1.26 -4.83 120.51 120.06 1djm n ALA 90 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1djm n ALA 90 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -5.19 -0.18 0.00 3.00 -1.26 -4.44 118.16 110.09 1djm n LYS 91 Ca 0.00 3.73 -0.00 0.00 -0.00 0.00 0.00 58.31 62.04 1djm n LYS 91 Cb 0.00 -4.55 0.09 0.00 0.00 0.00 0.00 35.03 30.57 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1djm h LYS 92 N 4.35 0.20 0.00 1.64 1.57 -1.99 -0.15 116.57 122.19 1djm h LYS 92 Ca 0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1djm h LYS 92 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1djm h LYS 92 CO 0.00 0.13 -0.07 0.93 -0.57 0.00 0.00 179.45 179.87 1djm h GLU 93 N 0.21 0.00 -0.18 3.15 5.08 -1.99 0.73 114.58 121.58 1djm h GLU 93 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1djm h GLU 93 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1djm h GLU 93 CO -0.41 0.07 0.03 -0.91 -1.00 0.00 0.00 179.01 176.80 1djm h ASN 94 N 0.00 0.29 -0.11 1.42 4.21 -1.29 0.14 115.58 120.24 1djm h ASN 94 Ca -0.00 -0.25 0.04 0.00 1.21 0.00 0.00 56.30 57.30 1djm h ASN 94 Cb 0.14 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.23 1djm h ASN 94 CO 0.01 0.47 -0.13 0.40 -1.29 0.00 0.00 177.43 176.88 1djm h ILE 95 N 0.10 0.64 0.43 2.81 5.03 -0.26 0.29 117.51 126.54 1djm h ILE 95 Ca 0.06 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.79 1djm h ILE 95 Cb 0.30 0.64 -0.02 0.00 -3.03 0.00 0.00 36.82 34.70 1djm h ILE 95 CO 0.00 0.00 -0.42 0.40 -0.68 0.00 0.00 178.15 177.45 1djm h ILE 96 N -0.17 0.16 -0.39 -0.67 5.03 -0.86 -1.68 117.51 118.93 1djm h ILE 96 Ca 0.09 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.88 1djm h ILE 96 Cb 0.29 0.16 -0.05 0.00 -3.03 0.00 0.00 36.82 34.19 1djm h ILE 96 CO -0.22 0.00 0.11 0.00 -0.68 0.00 0.00 178.15 177.36 1djm h ALA 97 N -0.54 0.44 -0.33 1.87 0.00 -0.43 0.29 119.26 120.56 1djm h ALA 97 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1djm h ALA 97 Cb 0.76 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1djm h ALA 97 CO -0.06 -0.29 0.21 0.00 0.00 0.00 0.00 179.25 179.11 1djm h ALA 98 N 1.27 0.42 -0.62 0.00 0.00 -0.88 0.68 119.26 120.12 1djm h ALA 98 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1djm h ALA 98 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1djm h ALA 98 CO -0.22 -0.13 0.07 0.00 0.00 0.00 0.00 179.25 178.98 1djm h ALA 99 N 1.12 0.94 0.48 0.00 0.00 -0.49 0.14 119.26 121.46 1djm h ALA 99 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1djm h ALA 99 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1djm h ALA 99 CO -0.03 0.65 -0.23 1.96 0.00 0.00 0.00 179.25 181.60 1djm h GLN 100 N 0.97 -0.62 0.00 0.00 1.08 -0.03 -2.21 115.11 114.30 1djm h GLN 100 Ca 0.19 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1djm h GLN 100 Cb 0.46 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1djm h GLN 100 CO 0.02 -0.41 0.00 0.00 -0.95 0.00 0.00 178.83 177.49 1djm n ALA 101 N -2.37 1.24 -1.02 3.87 0.00 0.19 -4.86 120.51 117.57 1djm n ALA 101 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1djm n ALA 101 Cb 0.27 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.92 0.86 3.72 0.00 0.00 -0.83 -4.91 105.19 103.11 1djm n GLY 102 Ca 0.01 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 2.19 0.40 4.61 0.00 -0.01 -4.90 121.76 122.06 1djm s ALA 103 Ca 0.00 1.08 0.12 0.00 0.00 0.00 0.00 51.96 53.16 1djm s ALA 103 Cb 0.00 -3.53 0.95 0.00 0.00 0.00 0.00 23.12 20.54 1djm s ALA 103 CO 0.00 -1.83 1.94 0.77 0.00 0.00 0.00 175.76 176.64 1djm h SER 104 N 0.04 0.48 0.00 0.00 0.02 -0.93 -3.45 113.55 109.71 1djm h SER 104 Ca -0.49 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1djm h SER 104 Cb 1.32 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1djm h SER 104 CO 0.51 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 177.08 1djm n GLY 105 N -1.49 -1.00 2.67 -3.77 0.00 -1.26 -4.90 105.19 95.44 1djm n GLY 105 Ca 0.13 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 1.68 0.14 1.61 5.04 -1.26 -1.63 117.35 120.93 1djm s TYR 106 Ca 0.00 -2.11 -0.28 0.00 -2.44 0.00 0.00 57.07 52.24 1djm s TYR 106 Cb 0.00 -1.67 -0.07 0.00 0.35 0.00 0.00 41.96 40.57 1djm s TYR 106 CO 0.00 -0.81 0.87 0.08 -1.34 0.00 0.00 175.55 174.35 1djm s VAL 107 N 0.79 4.41 0.03 3.14 1.01 0.03 -5.01 120.40 124.80 1djm s VAL 107 Ca 0.16 1.90 0.06 0.00 0.00 0.00 0.00 61.98 64.10 1djm s VAL 107 Cb -0.23 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 1djm s VAL 107 CO -0.05 0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 174.60 1djm s VAL 108 N -0.56 1.36 0.83 2.92 1.01 -1.26 -1.49 120.40 123.21 1djm s VAL 108 Ca 0.41 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1djm s VAL 108 Cb -0.23 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.05 1djm s VAL 108 CO 0.28 0.16 1.19 -1.59 0.00 0.00 0.00 175.10 175.14 1djm s LYS 109 N -0.99 1.54 0.24 2.72 0.00 -0.17 -4.09 119.74 118.99 1djm s LYS 109 Ca 0.05 1.69 -0.30 0.00 0.00 0.00 0.00 55.97 57.41 1djm s LYS 109 Cb -0.08 -1.77 -0.09 0.00 0.00 0.00 0.00 37.83 35.89 1djm s LYS 109 CO 0.01 -2.27 1.21 -1.25 0.00 0.00 0.00 175.35 173.04 1djm s PRO 110 N -4.27 4.49 0.04 1.78 0.04 -1.26 -4.97 135.00 130.86 1djm s PRO 110 Ca 0.71 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1djm s PRO 110 Cb -0.27 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1djm s PRO 110 CO 0.52 -0.05 -0.04 -0.59 0.04 0.00 0.00 177.00 176.89 1djm s PHE 111 N -0.52 0.48 0.09 0.56 -0.12 -1.26 -5.08 117.98 112.13 1djm s PHE 111 Ca 0.50 -0.78 -0.01 0.00 -0.05 0.00 0.00 56.93 56.59 1djm s PHE 111 Cb -0.34 -0.33 0.01 0.00 -0.63 0.00 0.00 43.02 41.72 1djm s PHE 111 CO 0.41 -0.25 0.14 0.25 -0.05 0.00 0.00 175.22 175.72 1djm n THR 112 N 0.82 0.00 0.04 -4.49 -2.24 -1.26 -5.02 114.28 102.12 1djm n THR 112 Ca -0.19 -0.37 0.21 0.00 -2.27 0.00 0.00 64.05 61.44 1djm n THR 112 Cb 0.58 0.25 0.73 0.00 -2.10 0.00 0.00 70.33 69.80 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 1.69 2.29 -0.87 6.98 0.00 -1.98 -0.91 119.26 126.47 1djm h ALA 113 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1djm h ALA 113 Cb 0.29 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1djm h ALA 113 CO 0.09 -0.72 0.52 0.00 0.00 0.00 0.00 179.25 179.14 1djm h ALA 114 N 1.55 1.28 0.09 0.00 0.00 -1.98 -0.11 119.26 120.09 1djm h ALA 114 Ca 0.24 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 1djm h ALA 114 Cb 1.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1djm h ALA 114 CO -0.00 0.62 -1.53 0.00 0.00 0.00 0.00 179.25 178.33 1djm h THR 115 N 1.20 1.13 0.04 0.00 1.03 -1.60 -3.28 112.91 111.43 1djm h THR 115 Ca 0.31 -2.82 0.03 0.00 -0.01 0.00 0.00 66.41 63.92 1djm h THR 115 Cb -0.04 2.70 -0.05 0.00 -1.07 0.00 0.00 68.15 69.69 1djm h THR 115 CO -0.06 0.79 -0.35 0.25 -0.01 0.00 0.00 175.52 176.14 1djm h LEU 116 N 0.05 -1.04 -0.72 0.00 7.12 -0.80 0.92 115.31 120.85 1djm h LEU 116 Ca -0.24 0.13 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1djm h LEU 116 Cb 1.99 0.41 -0.03 0.00 -0.53 0.00 0.00 40.66 42.49 1djm h LEU 116 CO 0.14 -0.42 0.32 1.05 -0.13 0.00 0.00 178.44 179.40 1djm h GLU 117 N -0.53 1.06 -0.23 1.25 -0.00 -1.21 0.02 114.58 114.94 1djm h GLU 117 Ca 0.05 -0.18 -0.07 0.00 -0.00 0.00 0.00 59.36 59.16 1djm h GLU 117 Cb 0.60 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 1djm h GLU 117 CO -0.26 0.86 -0.12 1.49 -0.00 0.00 0.00 179.01 180.98 1djm h GLU 118 N 1.03 0.49 -0.56 1.06 4.81 -1.50 -0.50 114.58 119.40 1djm h GLU 118 Ca 0.24 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1djm h GLU 118 Cb 0.17 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1djm h GLU 118 CO -0.03 0.76 0.03 0.87 -0.73 0.00 0.00 179.01 179.92 1djm h LYS 119 N 0.20 0.94 0.52 1.92 1.79 -0.76 -1.58 116.57 119.60 1djm h LYS 119 Ca 0.05 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 1djm h LYS 119 Cb 0.62 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1djm h LYS 119 CO 0.03 0.91 -0.49 -0.07 -1.08 0.00 0.00 179.45 178.75 1djm h LEU 120 N 0.87 -1.34 -1.52 2.94 3.38 -0.73 -1.90 115.31 117.01 1djm h LEU 120 Ca 0.17 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1djm h LEU 120 Cb 0.47 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1djm h LEU 120 CO 0.02 -0.66 0.33 -1.13 0.09 0.00 0.00 178.44 177.09 1djm h ASN 121 N -1.01 0.55 -0.02 -0.43 -1.24 -0.99 0.17 115.58 112.62 1djm h ASN 121 Ca -0.07 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1djm h ASN 121 Cb 0.86 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 1djm h ASN 121 CO -0.04 0.40 -0.07 0.50 -1.29 0.00 0.00 177.43 176.92 1djm h LYS 122 N 0.65 -0.07 0.00 6.67 3.64 -1.04 -1.83 116.57 124.59 1djm h LYS 122 Ca 0.19 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1djm h LYS 122 Cb -0.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1djm h LYS 122 CO -0.04 -0.05 -0.23 -0.84 -2.27 0.00 0.00 179.45 176.02 1djm h ILE 123 N -0.07 0.59 0.46 2.00 3.07 -0.53 -0.21 117.51 122.82 1djm h ILE 123 Ca 0.00 -1.13 -0.02 0.00 1.55 0.00 0.00 64.86 65.27 1djm h ILE 123 Cb 0.09 1.76 -0.00 0.00 -0.27 0.00 0.00 36.82 38.39 1djm h ILE 123 CO -0.06 0.23 -0.30 -0.26 -1.05 0.00 0.00 178.15 176.71 1djm h PHE 124 N 0.00 -0.80 0.25 0.16 0.04 -0.60 -1.81 116.94 114.17 1djm h PHE 124 Ca -0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1djm h PHE 124 Cb 0.74 0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1djm h PHE 124 CO 0.00 -0.44 -0.12 0.93 -0.60 0.00 0.00 178.31 178.08 1djm h GLU 125 N -0.72 -0.32 0.23 1.51 5.08 -1.28 -0.99 114.58 118.09 1djm h GLU 125 Ca -0.06 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1djm h GLU 125 Cb 0.58 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1djm h GLU 125 CO 0.05 0.05 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.76 1djm h LYS 126 N -0.82 -0.33 0.05 2.33 3.64 -1.13 -3.13 116.57 117.19 1djm h LYS 126 Ca -0.03 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1djm h LYS 126 Cb 0.51 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1djm h LYS 126 CO 0.06 -0.22 -0.79 -0.07 -2.27 0.00 0.00 179.45 176.16 1djm h LEU 127 N -0.35 0.18 0.00 5.20 3.38 -1.64 -3.49 115.31 118.60 1djm h LEU 127 Ca -0.02 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1djm h LEU 127 Cb 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1djm h LEU 127 CO 0.03 1.34 0.00 0.61 0.09 0.00 0.00 178.44 180.50 1djm n GLY 128 N 1.61 1.72 0.15 0.83 0.00 -0.53 -5.06 105.19 103.92 1djm n GLY 128 Ca -0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35