#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 2.01 -1.80 3.04 0.00 -1.26 -5.01 120.51 117.50 1djm n ALA 2 Ca 0.00 -1.27 -0.40 0.00 0.00 0.00 0.00 53.44 51.77 1djm n ALA 2 Cb 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.25 7.68 0.07 0.00 9.92 -1.26 -4.68 116.55 128.02 1djm n ASP 3 Ca 0.03 -2.94 0.07 0.00 -0.53 0.00 0.00 54.79 51.42 1djm n ASP 3 Cb 0.68 -1.46 0.34 0.00 -0.64 0.00 0.00 41.12 40.04 1djm n ASP 3 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1djm n LYS 4 N 2.83 0.08 -2.75 -1.24 4.76 -1.26 -2.84 118.16 117.73 1djm n LYS 4 Ca 0.64 0.43 -0.28 0.00 -2.87 0.00 0.00 58.31 56.23 1djm n LYS 4 Cb 0.26 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.74 1djm n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1djm n GLU 5 N -1.84 3.44 -1.68 1.97 1.02 -1.26 -4.95 120.64 117.33 1djm n GLU 5 Ca 0.01 -4.71 -0.48 0.00 -0.02 0.00 0.00 57.16 51.97 1djm n GLU 5 Cb 0.12 -2.26 -0.05 0.00 -0.02 0.00 0.00 31.44 29.23 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 -0.31 3.49 -4.65 -4.62 0.00 -1.13 -4.77 117.00 105.01 1djm n LEU 6 Ca 0.35 0.97 -0.29 0.00 0.00 0.00 0.00 56.01 57.04 1djm n LEU 6 Cb 0.46 -1.38 0.18 0.00 0.00 0.00 0.00 43.42 42.67 1djm n LEU 6 CO 0.35 -0.04 0.63 -1.59 0.00 0.00 0.00 177.39 176.74 1djm s LYS 7 N 3.97 0.53 0.25 1.96 0.00 -1.26 -4.36 119.74 120.83 1djm s LYS 7 Ca 0.92 0.88 0.09 0.00 0.00 0.00 0.00 55.97 57.86 1djm s LYS 7 Cb -0.67 -1.72 -0.05 0.00 0.00 0.00 0.00 37.83 35.39 1djm s LYS 7 CO 0.50 -2.76 -0.13 -0.06 0.00 0.00 0.00 175.35 172.90 1djm s PHE 8 N -2.78 1.97 -0.08 1.78 0.40 -1.26 -1.83 117.98 116.18 1djm s PHE 8 Ca 0.65 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1djm s PHE 8 Cb -0.21 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1djm s PHE 8 CO 0.59 0.45 -0.02 -1.17 0.70 0.00 0.00 175.22 175.76 1djm s LEU 9 N -3.42 3.42 -0.28 -0.37 2.96 -0.03 -0.95 118.68 120.01 1djm s LEU 9 Ca 0.27 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1djm s LEU 9 Cb -0.00 -1.77 0.08 0.00 0.50 0.00 0.00 46.19 45.00 1djm s LEU 9 CO 0.11 0.36 0.03 -0.69 -1.32 0.00 0.00 176.35 174.84 1djm s VAL 10 N -0.78 1.32 -0.93 1.68 1.01 0.22 -1.14 120.40 121.79 1djm s VAL 10 Ca 0.12 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 1djm s VAL 10 Cb -0.11 -1.84 0.24 0.00 0.00 0.00 0.00 36.38 34.66 1djm s VAL 10 CO 0.02 -0.43 0.88 0.52 0.00 0.00 0.00 175.10 176.09 1djm n VAL 11 N 4.69 3.35 -1.74 2.92 0.31 -0.02 -4.01 118.33 123.84 1djm n VAL 11 Ca -0.05 -5.22 -0.32 0.00 -0.01 0.00 0.00 64.34 58.75 1djm n VAL 11 Cb 0.43 -2.37 0.04 0.00 -0.91 0.00 0.00 33.84 31.03 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 -0.22 5.47 0.32 4.52 -4.77 -1.26 -0.66 116.67 120.07 1djm s ASP 12 Ca 0.29 1.72 0.18 0.00 -3.30 0.00 0.00 52.55 51.44 1djm s ASP 12 Cb -0.05 -2.51 0.14 0.00 -1.09 0.00 0.00 42.92 39.41 1djm s ASP 12 CO -0.10 -1.38 1.46 -0.78 0.70 0.00 0.00 175.17 175.06 1djm h ASP 13 N -0.28 0.00 -0.06 2.11 3.58 -1.93 -3.46 116.42 116.38 1djm h ASP 13 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1djm h ASP 13 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1djm h ASP 13 CO 0.57 0.32 0.00 0.33 -2.88 0.00 0.00 179.24 177.58 1djm n PHE 14 N -3.15 0.00 0.00 0.28 7.35 -1.26 -5.05 117.46 115.63 1djm n PHE 14 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1djm n PHE 14 Cb 0.67 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.50 1djm n PHE 14 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1djm n SER 15 N 0.00 0.03 -0.25 -2.13 7.64 -1.26 -4.83 113.62 112.81 1djm n SER 15 Ca 0.00 0.00 0.28 0.00 1.01 0.00 0.00 58.87 60.16 1djm n SER 15 Cb 0.00 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 63.86 1djm n SER 15 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1djm h THR 16 N 0.00 0.53 -0.69 0.44 2.02 -1.99 0.13 112.91 113.35 1djm h THR 16 Ca 0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1djm h THR 16 Cb 0.01 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1djm h THR 16 CO 0.00 0.02 0.15 -0.03 0.37 0.00 0.00 175.52 176.03 1djm h MET 17 N 0.13 1.11 -0.12 6.66 -1.53 -1.99 -0.15 114.93 119.05 1djm h MET 17 Ca 0.50 -0.27 -0.13 0.00 -3.44 0.00 0.00 59.70 56.35 1djm h MET 17 Cb 1.72 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 32.62 1djm h MET 17 CO -0.09 0.99 -0.50 0.07 0.14 0.00 0.00 176.91 177.52 1djm h ARG 18 N 1.05 0.31 0.16 0.39 -0.00 -1.11 0.12 114.38 115.29 1djm h ARG 18 Ca 0.21 -0.18 0.01 0.00 -0.00 0.00 0.00 59.98 60.03 1djm h ARG 18 Cb 0.39 0.01 -0.03 0.00 -0.00 0.00 0.00 29.97 30.35 1djm h ARG 18 CO 0.01 0.74 -0.23 0.00 -0.00 0.00 0.00 179.97 180.49 1djm h ARG 19 N 0.24 -0.43 0.61 0.08 2.47 -1.05 0.22 114.38 116.52 1djm h ARG 19 Ca 0.01 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1djm h ARG 19 Cb 0.97 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1djm h ARG 19 CO 0.08 -0.29 -0.50 0.82 0.56 0.00 0.00 179.97 180.65 1djm h ILE 20 N -0.45 0.00 -0.50 2.04 5.03 -0.78 -1.70 117.51 121.15 1djm h ILE 20 Ca 0.02 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.83 1djm h ILE 20 Cb 0.45 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.18 1djm h ILE 20 CO -0.10 0.00 0.15 0.58 -0.68 0.00 0.00 178.15 178.10 1djm h VAL 21 N -1.08 0.79 -0.53 1.67 2.07 -0.69 0.90 116.25 119.39 1djm h VAL 21 Ca -0.08 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1djm h VAL 21 Cb 0.90 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1djm h VAL 21 CO 0.00 0.06 0.15 -0.09 0.02 0.00 0.00 177.57 177.71 1djm h ARG 22 N 0.31 0.83 0.16 1.57 1.12 -0.90 -0.23 114.38 117.23 1djm h ARG 22 Ca 0.24 -0.19 0.01 0.00 -1.11 0.00 0.00 59.98 58.94 1djm h ARG 22 Cb 0.29 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.10 1djm h ARG 22 CO -0.27 0.77 -0.23 -0.97 -3.11 0.00 0.00 179.97 176.16 1djm h ASN 23 N 0.73 -0.63 -0.83 -3.80 -0.00 -0.35 0.28 115.58 110.98 1djm h ASN 23 Ca 0.17 0.07 0.08 0.00 -0.00 0.00 0.00 56.30 56.62 1djm h ASN 23 Cb 0.30 0.23 -0.06 0.00 -0.00 0.00 0.00 38.32 38.79 1djm h ASN 23 CO -0.00 -0.32 0.54 -0.07 -0.00 0.00 0.00 177.43 177.58 1djm h LEU 24 N -0.45 0.76 0.13 0.34 3.38 -0.67 -0.89 115.31 117.91 1djm h LEU 24 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1djm h LEU 24 Cb 0.45 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1djm h LEU 24 CO -0.10 0.47 -0.06 -0.07 0.09 0.00 0.00 178.44 178.77 1djm h LEU 25 N 0.86 -0.14 -2.29 1.67 3.38 -0.77 -3.33 115.31 114.69 1djm h LEU 25 Ca 0.37 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1djm h LEU 25 Cb 0.33 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1djm h LEU 25 CO -0.14 0.25 -0.05 0.11 0.09 0.00 0.00 178.44 178.70 1djm h LYS 26 N -0.56 0.00 -0.45 1.13 1.57 0.81 0.24 116.57 119.30 1djm h LYS 26 Ca -0.02 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1djm h LYS 26 Cb 0.44 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.68 1djm h LYS 26 CO 0.03 0.05 -0.02 0.93 -0.57 0.00 0.00 179.45 179.86 1djm h GLU 27 N 0.00 0.08 0.00 3.15 4.39 -1.32 -3.14 114.58 117.74 1djm h GLU 27 Ca -0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1djm h GLU 27 Cb 0.16 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1djm h GLU 27 CO 0.01 0.05 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.84 1djm h LEU 28 N 0.09 -0.00 0.00 1.33 3.38 -0.80 -3.51 115.31 115.79 1djm h LEU 28 Ca 0.22 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1djm h LEU 28 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1djm h LEU 28 CO -0.40 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1djm n GLY 29 N 1.05 -0.28 1.43 0.83 0.00 0.33 -5.14 105.19 103.40 1djm n GLY 29 Ca -0.09 -1.37 0.19 0.00 0.00 0.00 0.00 46.02 44.74 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 9.00 -3.62 -2.81 1.61 3.72 -1.26 -3.45 117.46 120.64 1djm n PHE 30 Ca 0.00 1.86 0.00 0.00 -0.05 0.00 0.00 57.45 59.26 1djm n PHE 30 Cb 0.00 -3.29 0.00 0.00 -0.94 0.00 0.00 39.48 35.25 1djm n PHE 30 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1djm n ASN 31 N -4.33 0.00 -2.13 4.37 6.94 -1.26 -4.58 115.26 114.27 1djm n ASN 31 Ca -0.02 -0.27 -0.20 0.00 -0.02 0.00 0.00 54.58 54.07 1djm n ASN 31 Cb 0.67 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.07 1djm n ASN 31 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1djm n ASN 32 N -0.12 -5.70 -4.22 0.53 4.13 -1.26 -4.22 115.26 104.39 1djm n ASN 32 Ca 0.00 0.11 -0.29 0.00 1.68 0.00 0.00 54.58 56.07 1djm n ASN 32 Cb 0.00 -4.79 0.21 0.00 -1.54 0.00 0.00 39.78 33.66 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 -2.95 1.79 0.33 2.41 -7.23 -1.26 -4.32 120.40 109.17 1djm s VAL 33 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.22 1djm s VAL 33 Cb 0.00 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1djm s VAL 33 CO 0.00 0.00 0.21 -1.61 -0.31 0.00 0.00 175.10 173.39 1djm s GLU 34 N -5.22 1.70 0.38 4.82 0.41 -0.13 -4.87 118.70 115.80 1djm s GLU 34 Ca 0.68 -1.99 0.04 0.00 -0.41 0.00 0.00 54.97 53.29 1djm s GLU 34 Cb -0.14 0.03 -0.03 0.00 -1.78 0.00 0.00 34.13 32.22 1djm s GLU 34 CO 0.57 -0.55 0.15 -1.21 -0.49 0.00 0.00 175.26 173.73 1djm s GLU 35 N -3.65 1.84 0.29 1.61 8.01 -1.26 -0.61 118.70 124.93 1djm s GLU 35 Ca 0.36 -2.10 0.02 0.00 0.01 0.00 0.00 54.97 53.26 1djm s GLU 35 Cb 0.03 -0.42 -0.05 0.00 -4.31 0.00 0.00 34.13 29.39 1djm s GLU 35 CO 0.21 -0.48 0.12 0.00 0.01 0.00 0.00 175.26 175.12 1djm s ALA 36 N -3.31 1.97 0.17 5.21 0.00 -1.26 -4.90 121.76 119.65 1djm s ALA 36 Ca 0.28 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.35 1djm s ALA 36 Cb 0.03 1.02 0.04 0.00 0.00 0.00 0.00 23.12 24.22 1djm s ALA 36 CO 0.17 -0.45 1.61 0.93 0.00 0.00 0.00 175.76 178.02 1djm h GLU 37 N 2.25 1.03 -1.68 0.00 5.08 -1.95 -3.46 114.58 115.85 1djm h GLU 37 Ca -0.37 -0.35 0.31 0.00 -1.00 0.00 0.00 59.36 57.95 1djm h GLU 37 Cb 1.25 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1djm h GLU 37 CO 0.58 1.04 0.80 0.16 -1.00 0.00 0.00 179.01 180.60 1djm s ASP 38 N -6.57 -0.05 0.29 1.42 -4.77 -1.26 -4.88 116.67 100.85 1djm s ASP 38 Ca -0.12 -0.19 0.04 0.00 -3.30 0.00 0.00 52.55 48.98 1djm s ASP 38 Cb 0.13 0.20 0.72 0.00 -1.09 0.00 0.00 42.92 42.88 1djm s ASP 38 CO 0.86 -0.38 1.71 1.23 0.70 0.00 0.00 175.17 179.29 1djm h GLY 39 N 2.00 1.55 0.84 2.12 0.00 -1.72 0.36 103.07 108.23 1djm h GLY 39 Ca -0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1djm h GLY 39 CO 0.29 -0.24 0.04 -2.08 0.00 0.00 0.00 176.54 174.56 1djm h VAL 40 N 0.44 1.20 0.00 4.60 2.07 -1.85 -1.05 116.25 121.66 1djm h VAL 40 Ca 0.56 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1djm h VAL 40 Cb 1.03 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1djm h VAL 40 CO -0.50 0.19 -0.15 -0.78 0.02 0.00 0.00 177.57 176.35 1djm h ASP 41 N 0.09 0.00 0.28 0.57 3.58 -1.72 -1.84 116.42 117.38 1djm h ASP 41 Ca 0.05 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1djm h ASP 41 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1djm h ASP 41 CO 0.00 0.15 -0.14 0.00 -2.88 0.00 0.00 179.24 176.37 1djm h ALA 42 N 1.85 -0.38 -0.58 -0.78 0.00 0.41 -0.25 119.26 119.53 1djm h ALA 42 Ca -0.00 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1djm h ALA 42 Cb 0.43 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1djm h ALA 42 CO 0.02 -0.60 0.10 1.25 0.00 0.00 0.00 179.25 180.02 1djm h LEU 43 N -0.62 -0.05 -0.84 0.00 5.85 -0.96 -0.43 115.31 118.26 1djm h LEU 43 Ca -0.04 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1djm h LEU 43 Cb 0.44 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1djm h LEU 43 CO 0.06 -0.01 0.50 -1.13 -0.34 0.00 0.00 178.44 177.53 1djm h ASN 44 N 0.22 0.76 -0.34 1.25 -0.73 -1.16 -1.22 115.58 114.36 1djm h ASN 44 Ca 0.30 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.47 1djm h ASN 44 Cb 0.45 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1djm h ASN 44 CO -0.41 0.47 0.11 0.11 -0.37 0.00 0.00 177.43 177.34 1djm h LYS 45 N 0.89 0.53 -0.13 6.67 6.56 0.42 -3.28 116.57 128.23 1djm h LYS 45 Ca 0.38 -0.11 0.04 0.00 -1.06 0.00 0.00 60.65 59.90 1djm h LYS 45 Cb 0.25 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.79 1djm h LYS 45 CO -0.20 0.56 -0.13 -0.07 -2.06 0.00 0.00 179.45 177.55 1djm h LEU 46 N 0.40 -0.41 -1.96 2.94 3.38 0.01 -1.25 115.31 118.43 1djm h LEU 46 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1djm h LEU 46 Cb 0.25 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1djm h LEU 46 CO -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.35 1djm n GLN 47 N -5.28 0.80 -0.08 1.13 10.64 -0.74 -1.75 117.38 122.10 1djm n GLN 47 Ca -0.03 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.22 1djm n GLN 47 Cb 0.19 -1.11 0.12 0.00 -0.86 0.00 0.00 30.24 28.58 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 0.58 2.25 0.00 2.61 0.00 -0.47 -4.94 120.51 120.54 1djm n ALA 48 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1djm n ALA 48 Cb 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.19 -0.01 0.79 0.00 0.00 -1.13 -5.04 105.19 98.62 1djm n GLY 49 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1djm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djm n GLY 50 N 0.00 -1.82 3.94 -0.02 0.00 -0.72 -5.10 105.19 101.48 1djm n GLY 50 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 3.24 -0.01 1.61 1.51 -1.26 -5.01 117.35 117.43 1djm s TYR 51 Ca 0.00 0.38 0.12 0.00 -1.01 0.00 0.00 57.07 56.55 1djm s TYR 51 Cb 0.00 -2.44 -0.18 0.00 -0.11 0.00 0.00 41.96 39.23 1djm s TYR 51 CO 0.00 -0.50 0.96 0.78 -1.11 0.00 0.00 175.55 175.68 1djm h GLY 52 N 0.22 0.00 -3.25 0.71 0.00 -1.70 -3.48 103.07 95.56 1djm h GLY 52 Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1djm h GLY 52 CO 0.58 0.00 -0.41 -1.36 0.00 0.00 0.00 176.54 175.35 1djm s PHE 53 N -2.72 0.19 -0.42 5.60 0.40 -1.25 -4.47 117.98 115.31 1djm s PHE 53 Ca -0.02 -0.62 0.10 0.00 -0.60 0.00 0.00 56.93 55.79 1djm s PHE 53 Cb 0.09 -0.10 0.33 0.00 0.51 0.00 0.00 43.02 43.84 1djm s PHE 53 CO 0.81 -0.51 0.74 0.28 0.70 0.00 0.00 175.22 177.24 1djm n VAL 54 N 0.04 0.47 -2.20 -0.44 0.31 -0.73 -0.85 118.33 114.93 1djm n VAL 54 Ca -0.15 -4.72 -0.42 0.00 -0.01 0.00 0.00 64.34 59.04 1djm n VAL 54 Cb 0.62 -0.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.62 3.30 -0.04 2.52 1.01 -0.29 -2.85 121.20 122.23 1djm s ILE 55 Ca 0.41 0.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.00 1djm s ILE 55 Cb 0.30 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 39.15 1djm s ILE 55 CO -0.09 0.10 0.13 -0.94 0.00 0.00 0.00 174.94 174.14 1djm s SER 56 N 0.80 -0.11 1.02 3.58 1.04 -0.44 -0.84 113.70 118.75 1djm s SER 56 Ca 0.61 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 57.11 1djm s SER 56 Cb -0.36 0.25 0.20 0.00 0.10 0.00 0.00 66.02 66.21 1djm s SER 56 CO 0.33 -0.09 1.08 -0.62 0.98 0.00 0.00 173.24 174.93 1djm s ASP 57 N -0.14 2.19 -0.11 7.02 -1.08 0.17 -0.64 116.67 124.07 1djm s ASP 57 Ca -0.02 1.74 -0.02 0.00 -0.52 0.00 0.00 52.55 53.73 1djm s ASP 57 Cb -0.02 -2.36 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 1djm s ASP 57 CO 0.00 -3.48 0.01 -0.25 0.52 0.00 0.00 175.17 171.97 1djm h TRP 58 N -2.13 0.00 -0.05 -5.34 2.91 -1.91 -3.25 115.95 106.18 1djm h TRP 58 Ca -0.53 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.46 1djm h TRP 58 Cb 1.30 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.94 1djm h TRP 58 CO 0.38 0.04 0.04 0.27 -1.03 0.00 0.00 178.44 178.14 1djm n ASN 59 N -4.76 4.75 -4.75 2.65 6.94 -1.26 -1.53 115.26 117.30 1djm n ASN 59 Ca -0.01 -2.36 -0.36 0.00 -0.02 0.00 0.00 54.58 51.83 1djm n ASN 59 Cb 0.04 -0.94 0.04 0.00 -2.36 0.00 0.00 39.78 36.56 1djm n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1djm s MET 60 N -0.18 2.88 0.96 -3.83 0.23 -1.26 -4.79 119.30 113.30 1djm s MET 60 Ca 0.03 1.93 -0.15 0.00 -1.03 0.00 0.00 55.69 56.47 1djm s MET 60 Cb 0.02 -1.94 0.18 0.00 -1.53 0.00 0.00 34.83 31.57 1djm s MET 60 CO 0.00 -1.31 1.23 -1.25 -2.03 0.00 0.00 175.02 171.67 1djm s PRO 61 N -3.30 0.73 1.69 3.16 0.04 -1.26 -4.16 135.00 131.90 1djm s PRO 61 Ca 0.78 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1djm s PRO 61 Cb -0.33 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1djm s PRO 61 CO 0.36 -2.40 0.00 0.09 0.04 0.00 0.00 177.00 175.09 1djm n ASN 62 N -3.82 0.00 -4.42 6.66 4.13 -1.26 -4.13 115.26 112.42 1djm n ASN 62 Ca 0.12 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.94 1djm n ASN 62 Cb 0.60 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.80 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1djm s MET 63 N 0.00 3.22 1.01 3.52 1.75 -1.26 -5.05 119.30 122.49 1djm s MET 63 Ca 0.00 -1.25 -0.11 0.00 -1.25 0.00 0.00 55.69 53.07 1djm s MET 63 Cb 0.00 -4.41 0.20 0.00 2.84 0.00 0.00 34.83 33.46 1djm s MET 63 CO 0.00 -1.71 1.09 -0.51 -0.65 0.00 0.00 175.02 173.24 1djm s ASP 64 N 3.61 2.21 0.33 1.11 1.11 -1.26 -3.76 116.67 120.02 1djm s ASP 64 Ca 0.21 1.87 0.07 0.00 0.18 0.00 0.00 52.55 54.88 1djm s ASP 64 Cb -0.16 -2.44 0.76 0.00 1.07 0.00 0.00 42.92 42.15 1djm s ASP 64 CO 0.04 -3.49 1.83 1.23 1.18 0.00 0.00 175.17 175.96 1djm h GLY 65 N -2.14 1.43 1.17 0.21 0.00 -1.31 0.11 103.07 102.55 1djm h GLY 65 Ca -0.51 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.42 1djm h GLY 65 CO 0.46 0.06 0.14 -2.00 0.00 0.00 0.00 176.54 175.20 1djm h LEU 66 N 0.76 0.97 -0.04 3.11 7.12 -1.84 -0.49 115.31 124.90 1djm h LEU 66 Ca 0.50 -0.21 -0.25 0.00 0.13 0.00 0.00 57.88 58.05 1djm h LEU 66 Cb 0.76 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1djm h LEU 66 CO -0.26 0.95 -1.08 -0.33 -0.13 0.00 0.00 178.44 177.59 1djm h GLU 67 N 0.98 0.36 -0.14 1.25 5.08 -1.19 -0.49 114.58 120.42 1djm h GLU 67 Ca 0.20 -0.47 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1djm h GLU 67 Cb 0.37 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1djm h GLU 67 CO 0.00 1.16 -0.03 1.25 -1.00 0.00 0.00 179.01 180.40 1djm h LEU 68 N 0.16 -0.12 -0.09 1.33 5.85 -0.95 0.43 115.31 121.92 1djm h LEU 68 Ca -0.11 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1djm h LEU 68 Cb 1.76 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.81 1djm h LEU 68 CO 0.18 -0.04 -0.39 0.25 -0.34 0.00 0.00 178.44 178.10 1djm h LEU 69 N 0.01 -1.21 -1.44 2.25 5.85 -0.98 -0.92 115.31 118.87 1djm h LEU 69 Ca 0.07 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1djm h LEU 69 Cb 0.10 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1djm h LEU 69 CO -0.14 -0.42 -0.17 0.11 -0.34 0.00 0.00 178.44 177.48 1djm h LYS 70 N -0.49 0.15 0.13 1.25 1.57 -0.63 0.22 116.57 118.78 1djm h LYS 70 Ca 0.07 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1djm h LYS 70 Cb 0.61 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1djm h LYS 70 CO -0.36 0.33 -0.06 1.15 -0.57 0.00 0.00 179.45 179.93 1djm h THR 71 N 0.15 0.93 -0.68 -0.16 2.02 -0.56 -3.01 112.91 111.60 1djm h THR 71 Ca 0.03 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.98 1djm h THR 71 Cb 0.39 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1djm h THR 71 CO 0.03 0.06 0.42 0.40 0.37 0.00 0.00 175.52 176.80 1djm h ILE 72 N -0.30 1.09 0.00 3.11 2.04 -0.55 -2.96 117.51 119.94 1djm h ILE 72 Ca -0.02 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1djm h ILE 72 Cb 0.24 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1djm h ILE 72 CO 0.03 0.15 0.00 -1.14 0.00 0.00 0.00 178.15 177.19 1djm n ARG 73 N -4.68 0.04 0.03 2.37 3.00 0.71 -2.10 116.66 116.03 1djm n ARG 73 Ca 0.07 0.27 -0.02 0.00 -0.00 0.00 0.00 57.85 58.16 1djm n ARG 73 Cb 0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.03 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 2.44 -0.73 0.00 5.13 0.00 -1.47 -3.43 119.26 121.21 1djm h ALA 74 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1djm h ALA 74 Cb 0.18 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1djm h ALA 74 CO 0.00 -0.74 0.00 -0.40 0.00 0.00 0.00 179.25 178.11 1djm n ASP 75 N -2.78 0.00 -0.61 0.00 5.68 -1.26 -4.97 116.55 112.61 1djm n ASP 75 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1djm n ASP 75 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 0.63 4.00 6.12 0.00 -1.26 -4.60 105.19 110.08 1djm n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.41 0.00 0.50 4.61 0.00 -1.26 -4.84 120.51 119.93 1djm n ALA 77 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1djm n ALA 77 Cb 0.12 -0.04 0.40 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.84 0.08 -0.33 0.00 2.81 -1.26 -2.94 117.12 113.64 1djm n MET 78 Ca 0.00 0.30 0.26 0.00 -1.81 0.00 0.00 57.70 56.45 1djm n MET 78 Cb 0.00 -1.65 0.56 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.35 0.50 7.83 4.64 -1.69 0.84 113.55 126.02 1djm h SER 79 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1djm h SER 79 Cb 0.33 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1djm h SER 79 CO 0.00 0.04 -0.22 0.00 -0.87 0.00 0.00 176.83 175.78 1djm n ALA 80 N -2.53 2.95 -1.94 5.18 0.00 -1.15 -4.84 120.51 118.17 1djm n ALA 80 Ca 0.27 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1djm n ALA 80 Cb 1.00 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.72 4.37 -1.10 0.00 1.43 0.29 -4.90 118.68 116.06 1djm s LEU 81 Ca 0.21 2.60 -0.23 0.00 -1.03 0.00 0.00 54.13 55.68 1djm s LEU 81 Cb 0.19 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1djm s LEU 81 CO 0.55 -0.77 1.90 -2.16 0.23 0.00 0.00 176.35 176.10 1djm s PRO 82 N 0.68 2.67 -0.19 1.29 0.04 -1.26 -4.81 135.00 133.42 1djm s PRO 82 Ca 0.66 -0.96 -0.29 0.00 0.04 0.00 0.00 61.00 60.45 1djm s PRO 82 Cb -0.43 -5.22 -0.03 0.00 0.04 0.00 0.00 34.50 28.87 1djm s PRO 82 CO 0.35 -3.59 1.66 0.14 0.04 0.00 0.00 177.00 175.60 1djm s VAL 83 N 9.97 3.62 -0.24 -0.36 -7.23 -1.26 -1.78 120.40 123.12 1djm s VAL 83 Ca 0.67 0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 61.54 1djm s VAL 83 Cb -0.02 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.37 1djm s VAL 83 CO 0.08 -0.24 0.02 -0.22 -0.31 0.00 0.00 175.10 174.43 1djm s LEU 84 N 5.18 1.99 -0.06 1.32 2.96 -1.13 -1.04 118.68 127.89 1djm s LEU 84 Ca 0.74 -1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.19 1djm s LEU 84 Cb -0.27 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1djm s LEU 84 CO 0.30 -0.31 1.32 -0.04 -1.32 0.00 0.00 176.35 176.30 1djm s MET 85 N 1.62 4.29 -0.24 1.98 -1.94 -0.71 -1.33 119.30 122.97 1djm s MET 85 Ca -0.00 1.81 -0.03 0.00 -1.71 0.00 0.00 55.69 55.76 1djm s MET 85 Cb -0.18 -3.64 0.08 0.00 2.01 0.00 0.00 34.83 33.10 1djm s MET 85 CO -0.11 -0.58 0.07 0.08 -0.01 0.00 0.00 175.02 174.48 1djm s VAL 86 N 2.69 0.48 0.00 -6.03 1.01 0.18 -0.31 120.40 118.42 1djm s VAL 86 Ca 0.60 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1djm s VAL 86 Cb -0.27 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1djm s VAL 86 CO 0.22 -0.44 0.00 1.07 0.00 0.00 0.00 175.10 175.95 1djm n THR 87 N 5.04 0.00 -0.02 3.92 5.66 -1.02 -3.80 114.28 124.06 1djm n THR 87 Ca -0.06 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.99 1djm n THR 87 Cb 0.45 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.11 1djm n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1djm n ALA 88 N -3.00 2.41 -1.95 1.79 0.00 -1.26 -1.02 120.51 117.48 1djm n ALA 88 Ca 0.00 -0.44 -0.36 0.00 0.00 0.00 0.00 53.44 52.64 1djm n ALA 88 Cb 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.93 4.34 0.00 0.00 2.02 -1.26 -4.12 118.70 116.76 1djm s GLU 89 Ca -0.06 1.04 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1djm s GLU 89 Cb 0.09 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1djm s GLU 89 CO 0.61 0.28 0.00 0.00 0.02 0.00 0.00 175.26 176.17 1djm n ALA 90 N 0.38 0.00 -2.09 5.21 0.00 -1.26 -4.82 120.51 117.93 1djm n ALA 90 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1djm n ALA 90 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.87 -1.69 -0.27 0.00 3.00 -1.26 -4.29 118.16 112.78 1djm n LYS 91 Ca 0.00 1.22 0.09 0.00 -0.00 0.00 0.00 58.31 59.62 1djm n LYS 91 Cb 0.00 -1.85 0.23 0.00 0.00 0.00 0.00 35.03 33.41 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 4.06 0.25 -0.14 1.64 1.57 -1.99 0.20 116.57 122.16 1djm h LYS 92 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1djm h LYS 92 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1djm h LYS 92 CO 0.00 0.16 0.05 0.93 -0.57 0.00 0.00 179.45 180.02 1djm h GLU 93 N 0.26 0.19 -0.26 3.15 5.08 -1.99 0.77 114.58 121.77 1djm h GLU 93 Ca 0.48 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.67 1djm h GLU 93 Cb 0.89 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1djm h GLU 93 CO -0.58 0.17 -0.46 -0.91 -1.00 0.00 0.00 179.01 176.23 1djm h ASN 94 N 0.19 0.74 -0.33 1.42 -0.26 -0.89 0.11 115.58 116.56 1djm h ASN 94 Ca 0.05 -0.36 0.04 0.00 -0.56 0.00 0.00 56.30 55.47 1djm h ASN 94 Cb 0.05 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.06 1djm h ASN 94 CO -0.00 1.09 0.12 0.40 -1.06 0.00 0.00 177.43 177.97 1djm h ILE 95 N 0.55 0.90 0.41 2.81 5.03 0.02 0.25 117.51 127.49 1djm h ILE 95 Ca 0.03 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.68 1djm h ILE 95 Cb 1.01 0.62 -0.03 0.00 -3.03 0.00 0.00 36.82 35.39 1djm h ILE 95 CO 0.09 0.05 -0.45 0.40 -0.68 0.00 0.00 178.15 177.56 1djm h ILE 96 N 0.26 0.11 -0.40 -0.67 5.03 -0.73 -1.30 117.51 119.82 1djm h ILE 96 Ca 0.15 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.97 1djm h ILE 96 Cb 0.12 0.11 -0.08 0.00 -3.03 0.00 0.00 36.82 33.94 1djm h ILE 96 CO -0.16 0.00 -0.16 0.00 -0.68 0.00 0.00 178.15 177.16 1djm h ALA 97 N -0.59 0.17 -0.25 1.87 0.00 -0.43 0.23 119.26 120.26 1djm h ALA 97 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1djm h ALA 97 Cb 0.79 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1djm h ALA 97 CO -0.09 -0.52 0.16 0.00 0.00 0.00 0.00 179.25 178.81 1djm h ALA 98 N 1.25 0.32 -0.79 0.00 0.00 -0.87 0.34 119.26 119.50 1djm h ALA 98 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1djm h ALA 98 Cb 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1djm h ALA 98 CO -0.45 -0.21 0.35 0.00 0.00 0.00 0.00 179.25 178.93 1djm h ALA 99 N 1.09 1.12 -0.21 0.00 0.00 -0.31 0.72 119.26 121.66 1djm h ALA 99 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1djm h ALA 99 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1djm h ALA 99 CO -0.02 0.65 0.07 1.96 0.00 0.00 0.00 179.25 181.91 1djm h GLN 100 N 1.14 0.33 0.00 0.00 1.08 -0.17 -1.72 115.11 115.78 1djm h GLN 100 Ca 0.27 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1djm h GLN 100 Cb 0.16 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1djm h GLN 100 CO -0.03 0.42 -0.03 0.00 -0.95 0.00 0.00 178.83 178.24 1djm h ALA 101 N 0.90 1.04 -2.22 3.87 0.00 -0.86 -3.47 119.26 118.53 1djm h ALA 101 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1djm h ALA 101 Cb 0.22 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1djm h ALA 101 CO -0.00 0.03 -0.09 0.41 0.00 0.00 0.00 179.25 179.60 1djm n GLY 102 N -0.45 0.46 3.71 0.00 0.00 -0.52 -4.91 105.19 103.49 1djm n GLY 102 Ca -0.01 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.80 1.37 0.29 4.61 0.00 0.13 -4.89 120.51 120.23 1djm n ALA 103 Ca -0.03 0.18 0.18 0.00 0.00 0.00 0.00 53.44 53.78 1djm n ALA 103 Cb 0.52 -2.30 0.87 0.00 0.00 0.00 0.00 19.45 18.54 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 1.70 0.00 0.00 0.00 4.64 -1.40 -3.46 113.55 115.02 1djm h SER 104 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1djm h SER 104 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1djm h SER 104 CO 0.58 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 1djm n GLY 105 N -0.50 -0.34 3.01 -0.77 0.00 -1.24 -4.70 105.19 100.65 1djm n GLY 105 Ca -0.01 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 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 0.63 -0.02 1.61 6.14 -1.26 -1.73 117.35 120.72 1djm s TYR 106 Ca 0.00 -0.22 0.01 0.00 0.64 0.00 0.00 57.07 57.49 1djm s TYR 106 Cb 0.00 -0.40 0.02 0.00 0.42 0.00 0.00 41.96 42.00 1djm s TYR 106 CO 0.00 -0.02 -0.01 0.08 0.64 0.00 0.00 175.55 176.24 1djm s VAL 107 N -0.51 0.17 0.05 3.14 1.01 0.58 -4.94 120.40 119.89 1djm s VAL 107 Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1djm s VAL 107 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1djm s VAL 107 CO 0.00 0.11 -0.12 -0.69 0.00 0.00 0.00 175.10 174.40 1djm s VAL 108 N 0.59 0.93 0.20 2.92 1.01 -1.26 -2.44 120.40 122.35 1djm s VAL 108 Ca -0.06 -1.05 -0.32 0.00 0.00 0.00 0.00 61.98 60.55 1djm s VAL 108 Cb -0.09 -0.89 -0.15 0.00 0.00 0.00 0.00 36.38 35.26 1djm s VAL 108 CO -0.01 -0.14 1.22 1.17 0.00 0.00 0.00 175.10 177.33 1djm n LYS 109 N 1.69 1.42 -2.65 2.72 4.81 -0.19 -3.80 118.16 122.16 1djm n LYS 109 Ca -0.20 0.50 -0.35 0.00 -0.87 0.00 0.00 58.31 57.40 1djm n LYS 109 Cb 0.55 -2.04 -0.05 0.00 0.02 0.00 0.00 35.03 33.51 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 -0.48 4.19 -0.02 1.64 0.04 -1.26 -4.95 135.00 134.17 1djm s PRO 110 Ca 0.71 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 63.05 1djm s PRO 110 Cb -0.78 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1djm s PRO 110 CO 0.52 -0.09 0.12 -0.59 0.04 0.00 0.00 177.00 177.00 1djm s PHE 111 N -1.83 -0.03 0.27 0.56 -0.12 -1.25 -5.09 117.98 110.48 1djm s PHE 111 Ca 0.59 0.07 0.02 0.00 -0.05 0.00 0.00 56.93 57.56 1djm s PHE 111 Cb -0.17 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 1djm s PHE 111 CO 0.22 -0.17 0.24 0.95 -0.05 0.00 0.00 175.22 176.41 1djm s THR 112 N -0.69 0.00 0.49 -4.49 -4.23 -1.26 -5.02 115.64 100.44 1djm s THR 112 Ca -0.08 -1.93 0.16 0.00 -1.18 0.00 0.00 61.69 58.66 1djm s THR 112 Cb -0.05 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.60 1djm s THR 112 CO 0.01 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.17 1djm h ALA 113 N 2.36 2.05 0.00 3.99 0.00 -1.99 -0.85 119.26 124.81 1djm h ALA 113 Ca -0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1djm h ALA 113 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1djm h ALA 113 CO 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.57 1djm h ALA 114 N 1.86 1.46 0.08 0.00 0.00 -1.96 0.44 119.26 121.14 1djm h ALA 114 Ca 0.12 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.64 1djm h ALA 114 Cb 0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1djm h ALA 114 CO -0.02 0.02 -2.11 -2.37 0.00 0.00 0.00 179.25 174.78 1djm n THR 115 N -3.77 1.68 -0.02 0.00 5.66 -0.53 -4.23 114.28 113.06 1djm n THR 115 Ca -0.03 -0.59 -0.09 0.00 -3.05 0.00 0.00 64.05 60.29 1djm n THR 115 Cb 0.10 -1.67 -0.03 0.00 -1.55 0.00 0.00 70.33 67.19 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 -0.03 -0.84 -1.80 1.09 7.12 -0.47 -0.38 115.31 120.00 1djm h LEU 116 Ca -0.47 0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.65 1djm h LEU 116 Cb 1.95 0.38 -0.00 0.00 -0.53 0.00 0.00 40.66 42.45 1djm h LEU 116 CO 0.01 -0.31 -0.14 1.05 -0.13 0.00 0.00 178.44 178.93 1djm h GLU 117 N -0.31 0.00 -0.01 1.25 -0.00 -1.18 -0.08 114.58 114.26 1djm h GLU 117 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.39 1djm h GLU 117 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.24 1djm h GLU 117 CO -0.36 0.14 -0.35 1.49 -0.00 0.00 0.00 179.01 179.93 1djm h GLU 118 N 0.00 0.25 -0.11 1.06 4.81 -1.44 -1.69 114.58 117.46 1djm h GLU 118 Ca -0.00 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1djm h GLU 118 Cb 0.26 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1djm h GLU 118 CO 0.02 0.96 -0.46 0.87 -0.73 0.00 0.00 179.01 179.67 1djm h LYS 119 N -0.37 0.28 0.49 1.92 1.79 -0.66 0.13 116.57 120.15 1djm h LYS 119 Ca -0.04 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 1djm h LYS 119 Cb 1.08 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 1djm h LYS 119 CO 0.07 0.69 -0.36 -0.07 -1.08 0.00 0.00 179.45 178.70 1djm h LEU 120 N 0.23 -0.92 -2.00 2.94 3.38 -1.10 -1.84 115.31 115.99 1djm h LEU 120 Ca 0.01 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1djm h LEU 120 Cb 0.91 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1djm h LEU 120 CO 0.07 -0.53 0.20 -1.13 0.09 0.00 0.00 178.44 177.14 1djm h ASN 121 N -0.83 0.00 0.09 -0.43 -1.24 -0.88 0.89 115.58 113.19 1djm h ASN 121 Ca -0.05 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.95 1djm h ASN 121 Cb 0.70 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 1djm h ASN 121 CO 0.02 0.00 -0.08 0.11 -1.29 0.00 0.00 177.43 176.19 1djm h LYS 122 N 0.00 -0.16 0.00 6.67 6.56 -0.42 -1.96 116.57 127.27 1djm h LYS 122 Ca 0.13 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.72 1djm h LYS 122 Cb 0.54 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1djm h LYS 122 CO -0.00 -0.11 -0.09 -0.84 -2.06 0.00 0.00 179.45 176.36 1djm h ILE 123 N -0.16 0.87 0.40 1.86 3.07 -0.39 0.34 117.51 123.50 1djm h ILE 123 Ca -0.01 -0.32 -0.02 0.00 1.55 0.00 0.00 64.86 66.06 1djm h ILE 123 Cb 0.14 1.18 -0.00 0.00 -0.27 0.00 0.00 36.82 37.87 1djm h ILE 123 CO -0.00 0.08 -0.22 -0.26 -1.05 0.00 0.00 178.15 176.71 1djm h PHE 124 N 0.00 -0.57 -0.03 0.16 0.04 -0.88 -0.86 116.94 114.81 1djm h PHE 124 Ca -0.00 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1djm h PHE 124 Cb 0.17 0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1djm h PHE 124 CO 0.00 -0.34 -0.25 0.93 -0.60 0.00 0.00 178.31 178.04 1djm h GLU 125 N -0.58 0.23 0.00 1.51 5.08 -0.53 -2.45 114.58 117.85 1djm h GLU 125 Ca -0.05 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1djm h GLU 125 Cb 0.46 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1djm h GLU 125 CO 0.07 0.88 0.00 1.17 -1.00 0.00 0.00 179.01 180.13 1djm n LYS 126 N -4.50 0.00 0.30 2.33 3.00 0.11 -3.49 118.16 115.90 1djm n LYS 126 Ca -0.09 0.34 0.18 0.00 -0.00 0.00 0.00 58.31 58.74 1djm n LYS 126 Cb 0.48 -1.13 0.90 0.00 0.00 0.00 0.00 35.03 35.28 1djm n LYS 126 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1djm h LEU 127 N 0.00 0.00 -0.34 3.14 3.38 -1.37 -3.46 115.31 116.65 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 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1djm n GLY 128 N -0.57 0.65 0.00 0.83 0.00 -0.79 -5.02 105.19 100.29 1djm n GLY 128 Ca -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.30 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35