#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm s ALA 2 N 0.00 -1.12 0.39 3.17 0.00 -1.26 -5.17 121.76 117.77 1djm s ALA 2 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.62 1djm s ALA 2 Cb 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1djm s ALA 2 CO 0.00 -1.02 0.30 -0.51 0.00 0.00 0.00 175.76 174.53 1djm s ASP 3 N -2.99 4.97 0.59 0.00 1.01 -1.26 -5.01 116.67 113.98 1djm s ASP 3 Ca 0.13 -0.74 0.37 0.00 0.71 0.00 0.00 52.55 53.02 1djm s ASP 3 Cb -0.05 -0.66 1.73 0.00 1.01 0.00 0.00 42.92 44.95 1djm s ASP 3 CO 0.08 -0.53 2.12 0.07 0.21 0.00 0.00 175.17 177.12 1djm h LYS 4 N 1.20 0.00 -6.85 8.23 2.10 -2.03 -3.47 116.57 115.75 1djm h LYS 4 Ca -0.43 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.67 1djm h LYS 4 Cb 1.26 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.36 1djm h LYS 4 CO 0.60 0.01 -0.86 -1.91 -2.00 0.00 0.00 179.45 175.30 1djm n GLU 5 N -3.12 -0.89 -1.68 0.07 2.13 -1.26 -4.88 120.64 111.00 1djm n GLU 5 Ca -0.01 0.09 -0.45 0.00 0.66 0.00 0.00 57.16 57.46 1djm n GLU 5 Cb 0.22 -3.46 -0.04 0.00 0.27 0.00 0.00 31.44 28.43 1djm n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1djm n LEU 6 N -4.08 3.62 -4.90 4.31 0.00 -1.26 -4.77 117.00 109.92 1djm n LEU 6 Ca -0.19 1.02 -0.29 0.00 0.00 0.00 0.00 56.01 56.55 1djm n LEU 6 Cb 0.57 -1.48 -0.03 0.00 0.00 0.00 0.00 43.42 42.48 1djm n LEU 6 CO 0.79 -0.02 0.26 -0.54 0.00 0.00 0.00 177.39 177.88 1djm s LYS 7 N 2.21 3.65 -0.48 1.96 3.01 0.35 -4.84 119.74 125.60 1djm s LYS 7 Ca 0.82 0.10 -0.12 0.00 -1.01 0.00 0.00 55.97 55.76 1djm s LYS 7 Cb -0.59 -2.58 0.11 0.00 -1.01 0.00 0.00 37.83 33.76 1djm s LYS 7 CO 0.40 0.14 0.37 -0.06 0.51 0.00 0.00 175.35 176.71 1djm s PHE 8 N -2.18 3.34 0.17 3.18 0.40 -0.57 -2.28 117.98 120.05 1djm s PHE 8 Ca 0.45 -1.55 -0.30 0.00 -0.60 0.00 0.00 56.93 54.93 1djm s PHE 8 Cb -0.11 -3.42 -0.08 0.00 0.51 0.00 0.00 43.02 39.92 1djm s PHE 8 CO 0.31 -0.95 1.25 -1.17 0.70 0.00 0.00 175.22 175.37 1djm s LEU 9 N 1.47 4.42 -0.25 -0.37 2.96 -0.44 -0.70 118.68 125.77 1djm s LEU 9 Ca 0.04 2.28 -0.01 0.00 -0.22 0.00 0.00 54.13 56.22 1djm s LEU 9 Cb -0.26 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 42.90 1djm s LEU 9 CO 0.02 -0.46 0.05 -0.69 -1.32 0.00 0.00 176.35 173.94 1djm s VAL 10 N 0.21 0.83 -0.53 1.68 1.01 -0.26 -0.69 120.40 122.64 1djm s VAL 10 Ca 0.56 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1djm s VAL 10 Cb -0.34 -1.42 0.36 0.00 0.00 0.00 0.00 36.38 34.98 1djm s VAL 10 CO 0.36 -0.39 0.96 0.52 0.00 0.00 0.00 175.10 176.55 1djm n VAL 11 N 4.91 2.60 -1.06 2.92 0.31 -0.34 -4.23 118.33 123.44 1djm n VAL 11 Ca -0.07 -5.32 -0.33 0.00 -0.01 0.00 0.00 64.34 58.62 1djm n VAL 11 Cb 0.44 -1.22 0.13 0.00 -0.91 0.00 0.00 33.84 32.29 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 -3.38 3.56 0.53 4.52 1.11 -1.26 -0.59 116.67 121.16 1djm s ASP 12 Ca 0.47 2.27 0.21 0.00 0.18 0.00 0.00 52.55 55.68 1djm s ASP 12 Cb 0.31 -2.58 1.39 0.00 1.07 0.00 0.00 42.92 43.12 1djm s ASP 12 CO -0.14 -2.68 2.14 -0.78 1.18 0.00 0.00 175.17 174.89 1djm h ASP 13 N -1.11 0.00 -3.29 0.27 3.58 -1.88 -3.43 116.42 110.56 1djm h ASP 13 Ca -0.45 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.53 1djm h ASP 13 Cb 1.28 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.97 1djm h ASP 13 CO 0.46 0.05 -0.79 0.12 -2.88 0.00 0.00 179.24 176.20 1djm s PHE 14 N -4.79 1.06 0.15 0.28 5.36 -1.26 -5.06 117.98 113.72 1djm s PHE 14 Ca -0.05 -0.42 -0.22 0.00 -0.96 0.00 0.00 56.93 55.29 1djm s PHE 14 Cb 0.16 -0.95 0.02 0.00 -0.34 0.00 0.00 43.02 41.91 1djm s PHE 14 CO 0.63 -0.36 1.64 0.77 -1.46 0.00 0.00 175.22 176.44 1djm h SER 15 N 7.87 -0.69 -0.07 6.13 0.02 -2.01 -0.16 113.55 124.65 1djm h SER 15 Ca -0.28 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1djm h SER 15 Cb 1.14 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 1djm h SER 15 CO 0.38 -0.26 0.05 0.74 -1.14 0.00 0.00 176.83 176.60 1djm h THR 16 N -0.23 0.95 -0.49 -2.27 2.02 -1.97 0.15 112.91 111.06 1djm h THR 16 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1djm h THR 16 Cb 0.43 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1djm h THR 16 CO -0.36 0.00 0.25 -0.03 0.37 0.00 0.00 175.52 175.76 1djm h MET 17 N 0.00 0.69 -0.73 6.66 4.05 -1.45 0.88 114.93 125.02 1djm h MET 17 Ca 0.03 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 1djm h MET 17 Cb 0.13 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1djm h MET 17 CO -0.00 0.56 0.21 -0.09 0.23 0.00 0.00 176.91 177.82 1djm h ARG 18 N 0.65 1.15 -0.53 0.39 1.12 -0.37 0.32 114.38 117.10 1djm h ARG 18 Ca 0.17 -0.26 0.01 0.00 -1.11 0.00 0.00 59.98 58.80 1djm h ARG 18 Cb 0.08 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 1djm h ARG 18 CO -0.02 0.99 0.34 -0.09 -3.11 0.00 0.00 179.97 178.08 1djm h ARG 19 N 1.10 0.67 0.75 0.20 9.65 -0.33 0.16 114.38 126.58 1djm h ARG 19 Ca 0.23 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 1djm h ARG 19 Cb 0.33 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1djm h ARG 19 CO -0.00 0.44 -0.38 0.82 2.80 0.00 0.00 179.97 183.65 1djm h ILE 20 N 0.69 0.00 -0.63 1.20 5.03 -0.50 -0.64 117.51 122.66 1djm h ILE 20 Ca 0.20 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 65.07 1djm h ILE 20 Cb -0.04 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.63 1djm h ILE 20 CO -0.06 0.00 -0.09 0.58 -0.68 0.00 0.00 178.15 177.89 1djm h VAL 21 N -1.04 0.41 -0.29 1.67 2.07 -0.59 0.22 116.25 118.71 1djm h VAL 21 Ca -0.10 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1djm h VAL 21 Cb 0.80 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1djm h VAL 21 CO 0.15 0.01 0.05 -0.09 0.02 0.00 0.00 177.57 177.71 1djm h ARG 22 N 0.04 0.15 -0.09 1.57 2.43 -0.70 0.36 114.38 118.15 1djm h ARG 22 Ca 0.32 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1djm h ARG 22 Cb 0.50 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1djm h ARG 22 CO -0.61 0.10 -0.10 -0.97 -1.51 0.00 0.00 179.97 176.88 1djm h ASN 23 N 0.16 -0.32 -0.56 -3.80 -1.24 0.87 -0.66 115.58 110.03 1djm h ASN 23 Ca 0.14 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1djm h ASN 23 Cb 0.15 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 1djm h ASN 23 CO -0.18 -0.14 0.31 -0.07 -1.29 0.00 0.00 177.43 176.05 1djm h LEU 24 N -0.14 0.72 0.20 0.34 3.38 -0.28 0.19 115.31 119.72 1djm h LEU 24 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1djm h LEU 24 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1djm h LEU 24 CO -0.17 0.59 -0.10 -0.07 0.09 0.00 0.00 178.44 178.78 1djm h LEU 25 N 0.81 -0.23 -2.24 1.67 3.38 -0.75 -3.10 115.31 114.86 1djm h LEU 25 Ca 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1djm h LEU 25 Cb 0.04 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1djm h LEU 25 CO -0.03 -0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.59 1djm h LYS 26 N -0.45 0.00 0.18 1.13 1.57 -0.17 0.21 116.57 119.04 1djm h LYS 26 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1djm h LYS 26 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1djm h LYS 26 CO 0.05 0.01 -0.08 0.93 -0.57 0.00 0.00 179.45 179.78 1djm h GLU 27 N 0.00 -0.23 0.00 3.15 4.39 -0.59 -3.44 114.58 117.87 1djm h GLU 27 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1djm h GLU 27 Cb 0.25 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1djm h GLU 27 CO 0.00 0.04 0.00 1.47 -1.16 0.00 0.00 179.01 179.37 1djm n LEU 28 N -5.08 0.00 0.00 1.33 -0.00 -1.08 -5.05 117.00 107.12 1djm n LEU 28 Ca -0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1djm n LEU 28 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1djm n LEU 28 CO 0.33 0.13 0.00 0.61 -0.00 0.00 0.00 177.39 178.46 1djm n GLY 29 N 0.00 0.31 3.58 1.47 0.00 0.66 -5.02 105.19 106.18 1djm n GLY 29 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.66 0.32 1.61 0.08 -0.62 -4.99 117.98 115.04 1djm s PHE 30 Ca 0.00 -1.01 0.07 0.00 0.12 0.00 0.00 56.93 56.11 1djm s PHE 30 Cb 0.00 0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.59 1djm s PHE 30 CO 0.00 -1.15 0.25 0.27 -0.10 0.00 0.00 175.22 174.49 1djm n ASN 31 N -1.04 -0.49 -2.60 1.36 0.23 -1.26 -2.67 115.26 108.80 1djm n ASN 31 Ca -0.01 -3.06 -0.04 0.00 -0.53 0.00 0.00 54.58 50.93 1djm n ASN 31 Cb 0.61 1.52 0.01 0.00 -2.08 0.00 0.00 39.78 39.84 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 -1.74 -6.62 -4.76 0.53 3.02 -1.26 -4.76 115.26 99.66 1djm n ASN 32 Ca 0.06 0.29 -0.26 0.00 -0.03 0.00 0.00 54.58 54.63 1djm n ASN 32 Cb 0.57 -4.42 0.09 0.00 -0.61 0.00 0.00 39.78 35.41 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1djm s VAL 33 N -2.47 2.19 0.28 2.41 -7.23 -1.26 -1.51 120.40 112.81 1djm s VAL 33 Ca 0.14 -0.25 0.03 0.00 -1.81 0.00 0.00 61.98 60.09 1djm s VAL 33 Cb -0.04 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1djm s VAL 33 CO 0.60 0.00 0.18 -1.61 -0.31 0.00 0.00 175.10 173.96 1djm s GLU 34 N -5.37 1.51 0.23 4.82 0.41 0.12 -4.78 118.70 115.65 1djm s GLU 34 Ca 0.63 -1.85 0.04 0.00 -0.41 0.00 0.00 54.97 53.39 1djm s GLU 34 Cb -0.09 0.14 -0.05 0.00 -1.78 0.00 0.00 34.13 32.35 1djm s GLU 34 CO 0.46 -0.49 -0.03 -2.00 -0.49 0.00 0.00 175.26 172.72 1djm s GLU 35 N -3.83 1.36 0.31 1.61 2.12 -1.26 -1.10 118.70 117.91 1djm s GLU 35 Ca 0.38 -1.68 0.03 0.00 0.36 0.00 0.00 54.97 54.06 1djm s GLU 35 Cb 0.05 -0.76 -0.06 0.00 0.26 0.00 0.00 34.13 33.62 1djm s GLU 35 CO 0.19 -0.04 0.08 0.00 -0.54 0.00 0.00 175.26 174.95 1djm s ALA 36 N -3.30 2.20 0.22 6.30 0.00 -1.26 -4.93 121.76 120.99 1djm s ALA 36 Ca 0.27 -1.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1djm s ALA 36 Cb 0.05 0.80 0.20 0.00 0.00 0.00 0.00 23.12 24.17 1djm s ALA 36 CO 0.09 -0.36 1.65 1.05 0.00 0.00 0.00 175.76 178.19 1djm h GLU 37 N 2.18 0.82 -1.74 0.00 4.11 -1.97 -3.46 114.58 114.51 1djm h GLU 37 Ca -0.39 -0.30 0.26 0.00 0.07 0.00 0.00 59.36 58.99 1djm h GLU 37 Cb 1.25 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.32 1djm h GLU 37 CO 0.66 0.92 0.71 -0.51 0.07 0.00 0.00 179.01 180.86 1djm s ASP 38 N -6.71 -0.13 0.30 3.06 1.01 -1.26 -5.03 116.67 107.91 1djm s ASP 38 Ca -0.10 -0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.07 1djm s ASP 38 Cb 0.13 0.25 0.78 0.00 1.01 0.00 0.00 42.92 45.10 1djm s ASP 38 CO 0.83 -0.45 1.74 1.23 0.21 0.00 0.00 175.17 178.73 1djm h GLY 39 N 2.00 1.75 0.11 0.21 0.00 -1.87 0.32 103.07 105.58 1djm h GLY 39 Ca -0.24 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 46.87 1djm h GLY 39 CO 0.27 -0.19 -0.24 -2.08 0.00 0.00 0.00 176.54 174.30 1djm h VAL 40 N 0.59 0.39 0.00 4.60 2.07 -1.96 -1.58 116.25 120.36 1djm h VAL 40 Ca 0.59 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 68.05 1djm h VAL 40 Cb 1.06 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1djm h VAL 40 CO -0.46 0.00 -0.31 -0.78 0.02 0.00 0.00 177.57 176.05 1djm h ASP 41 N -0.23 0.00 0.40 0.57 3.58 -1.49 -3.22 116.42 116.04 1djm h ASP 41 Ca 0.15 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1djm h ASP 41 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1djm h ASP 41 CO -0.41 0.31 -0.19 0.00 -2.88 0.00 0.00 179.24 176.06 1djm h ALA 42 N 1.69 -0.54 -0.58 -0.78 0.00 0.49 0.47 119.26 120.01 1djm h ALA 42 Ca -0.00 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1djm h ALA 42 Cb 1.02 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1djm h ALA 42 CO 0.04 -0.80 0.19 1.25 0.00 0.00 0.00 179.25 179.93 1djm h LEU 43 N -0.55 0.16 -0.51 0.00 5.85 -1.37 0.35 115.31 119.24 1djm h LEU 43 Ca -0.05 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1djm h LEU 43 Cb 0.42 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1djm h LEU 43 CO 0.09 0.10 0.17 -1.13 -0.34 0.00 0.00 178.44 177.34 1djm h ASN 44 N 0.36 0.16 -0.16 1.25 -1.24 -1.52 -1.47 115.58 112.97 1djm h ASN 44 Ca 0.29 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.37 1djm h ASN 44 Cb 0.37 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1djm h ASN 44 CO -0.31 0.12 0.10 0.11 -1.29 0.00 0.00 177.43 176.15 1djm h LYS 45 N 0.35 0.21 -0.57 6.67 6.56 0.40 -3.22 116.57 126.98 1djm h LYS 45 Ca 0.25 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.91 1djm h LYS 45 Cb 0.28 -0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 31.83 1djm h LYS 45 CO -0.26 0.17 0.18 -0.07 -2.06 0.00 0.00 179.45 177.41 1djm h LEU 46 N 0.19 0.15 0.00 2.94 3.38 0.02 -0.16 115.31 121.83 1djm h LEU 46 Ca 0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1djm h LEU 46 Cb 0.01 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1djm h LEU 46 CO -0.01 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1djm n GLN 47 N -5.03 0.70 0.00 1.13 10.64 -0.75 -3.34 117.38 120.72 1djm n GLN 47 Ca 0.07 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.31 1djm n GLN 47 Cb 0.26 -1.12 -0.01 0.00 -0.86 0.00 0.00 30.24 28.51 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 -0.62 3.10 0.00 2.61 0.00 -0.07 -5.09 120.51 120.44 1djm n ALA 48 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1djm n ALA 48 Cb 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.08 -0.52 1.72 0.00 0.00 -1.21 -5.02 105.19 101.23 1djm n GLY 49 Ca 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 2.53 3.58 -0.02 0.00 -1.26 -4.77 105.19 105.24 1djm n GLY 50 Ca 0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 0.52 2.34 -2.31 1.61 1.51 -1.26 -0.50 117.35 119.26 1djm s TYR 51 Ca 0.23 -0.53 0.28 0.00 -1.01 0.00 0.00 57.07 56.04 1djm s TYR 51 Cb 0.11 -4.39 1.03 0.00 -0.11 0.00 0.00 41.96 38.60 1djm s TYR 51 CO 0.00 -1.58 1.73 0.41 -1.11 0.00 0.00 175.55 175.01 1djm n GLY 52 N 5.84 -0.19 2.89 0.71 0.00 -0.97 -4.75 105.19 108.73 1djm n GLY 52 Ca 0.45 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1djm n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1djm s PHE 53 N -2.11 -0.07 -0.37 1.61 2.19 -1.15 -4.39 117.98 113.69 1djm s PHE 53 Ca 0.35 0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.87 1djm s PHE 53 Cb 0.21 -0.07 0.11 0.00 -1.31 0.00 0.00 43.02 41.96 1djm s PHE 53 CO 0.38 -0.08 0.15 0.08 1.83 0.00 0.00 175.22 177.57 1djm s VAL 54 N 0.60 1.36 -0.08 3.12 1.01 -0.72 -1.32 120.40 124.36 1djm s VAL 54 Ca -0.05 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 59.74 1djm s VAL 54 Cb -0.07 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1djm s VAL 54 CO -0.02 -0.75 0.39 -0.63 0.00 0.00 0.00 175.10 174.09 1djm s ILE 55 N 0.98 5.17 0.20 2.22 1.01 0.13 -1.02 121.20 129.88 1djm s ILE 55 Ca 0.13 0.78 -0.04 0.00 0.00 0.00 0.00 60.65 61.52 1djm s ILE 55 Cb -0.20 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1djm s ILE 55 CO -0.12 0.45 0.21 -0.55 0.00 0.00 0.00 174.94 174.92 1djm s SER 56 N -0.12 0.11 0.65 3.58 0.15 -0.55 -1.20 113.70 116.32 1djm s SER 56 Ca 0.22 -1.22 -0.05 0.00 0.70 0.00 0.00 55.95 55.60 1djm s SER 56 Cb -0.15 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 1djm s SER 56 CO 0.10 -0.89 0.19 -0.90 1.20 0.00 0.00 173.24 172.93 1djm n ASP 57 N -0.27 -1.97 -0.03 5.45 5.75 0.24 -0.67 116.55 125.06 1djm n ASP 57 Ca -0.01 -0.19 -0.04 0.00 -0.01 0.00 0.00 54.79 54.54 1djm n ASP 57 Cb 0.65 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 1djm n ASP 57 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1djm n TRP 58 N -3.36 0.00 -2.30 2.11 -0.00 -1.24 -4.13 117.44 108.51 1djm n TRP 58 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.50 57.25 1djm n TRP 58 Cb 0.13 -0.20 0.01 0.00 -0.00 0.00 0.00 31.31 31.25 1djm n TRP 58 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1djm n ASN 59 N -2.80 5.10 -4.77 5.87 4.05 -1.26 -0.70 115.26 120.75 1djm n ASN 59 Ca -0.10 -3.74 -0.41 0.00 0.45 0.00 0.00 54.58 50.78 1djm n ASN 59 Cb 0.59 -0.51 -0.01 0.00 1.23 0.00 0.00 39.78 41.09 1djm n ASN 59 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1djm s MET 60 N -3.61 4.13 0.00 1.20 -2.45 -1.26 -4.88 119.30 112.43 1djm s MET 60 Ca 0.49 2.54 0.00 0.00 -1.25 0.00 0.00 55.69 57.48 1djm s MET 60 Cb 0.41 -2.99 0.00 0.00 1.25 0.00 0.00 34.83 33.50 1djm s MET 60 CO -0.16 -0.53 0.05 -0.35 1.05 0.00 0.00 175.02 175.08 1djm n PRO 61 N 0.95 0.06 0.00 4.11 -0.04 -1.26 -3.75 135.00 135.06 1djm n PRO 61 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1djm n PRO 61 Cb 0.39 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1djm n PRO 61 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1djm n ASN 62 N 0.81 0.00 -4.44 3.54 2.85 -1.26 -5.03 115.26 111.73 1djm n ASN 62 Ca 0.00 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.03 1djm n ASN 62 Cb 0.02 0.38 -0.01 0.00 1.24 0.00 0.00 39.78 41.41 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1djm s MET 63 N -0.81 3.86 0.70 1.20 1.75 -1.26 -5.04 119.30 119.70 1djm s MET 63 Ca 0.00 -2.29 -0.17 0.00 -1.25 0.00 0.00 55.69 51.98 1djm s MET 63 Cb 0.00 -4.91 -0.08 0.00 2.84 0.00 0.00 34.83 32.68 1djm s MET 63 CO 0.00 -1.69 0.21 -0.25 -0.65 0.00 0.00 175.02 172.64 1djm n ASP 64 N 5.63 -2.39 0.24 1.11 8.00 -1.25 -4.32 116.55 123.58 1djm n ASP 64 Ca 0.28 0.56 0.13 0.00 0.71 0.00 0.00 54.79 56.47 1djm n ASP 64 Cb 0.45 -1.07 0.78 0.00 -0.02 0.00 0.00 41.12 41.26 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1djm h GLY 65 N -0.35 0.00 1.42 0.44 0.00 -1.10 0.12 103.07 103.59 1djm h GLY 65 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1djm h GLY 65 CO 0.40 0.00 -0.34 -2.00 0.00 0.00 0.00 176.54 174.60 1djm h LEU 66 N 0.00 0.68 -0.23 3.11 7.12 -1.83 -0.59 115.31 123.57 1djm h LEU 66 Ca 0.03 -0.28 -0.20 0.00 0.13 0.00 0.00 57.88 57.57 1djm h LEU 66 Cb 0.16 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 1djm h LEU 66 CO -0.00 0.96 -0.90 -0.33 -0.13 0.00 0.00 178.44 178.03 1djm h GLU 67 N 0.55 0.09 0.19 1.25 4.39 -1.16 0.90 114.58 120.79 1djm h GLU 67 Ca 0.06 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1djm h GLU 67 Cb 0.84 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1djm h GLU 67 CO 0.07 0.93 -0.18 1.25 -1.16 0.00 0.00 179.01 179.92 1djm h LEU 68 N 0.05 -0.48 0.04 1.33 5.85 -1.00 0.49 115.31 121.59 1djm h LEU 68 Ca -0.03 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1djm h LEU 68 Cb 1.57 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.71 1djm h LEU 68 CO 0.13 -0.27 -0.37 0.25 -0.34 0.00 0.00 178.44 177.83 1djm h LEU 69 N -0.39 -1.12 -1.58 2.25 5.85 -0.98 -0.33 115.31 119.02 1djm h LEU 69 Ca 0.00 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1djm h LEU 69 Cb 0.37 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1djm h LEU 69 CO -0.04 -0.44 -0.13 0.11 -0.34 0.00 0.00 178.44 177.60 1djm h LYS 70 N -0.56 0.11 -0.33 1.25 1.57 -0.66 0.25 116.57 118.20 1djm h LYS 70 Ca 0.04 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1djm h LYS 70 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1djm h LYS 70 CO -0.27 0.25 -0.25 1.15 -0.57 0.00 0.00 179.45 179.75 1djm h THR 71 N 0.11 1.29 0.06 -0.16 2.02 -0.55 -0.78 112.91 114.89 1djm h THR 71 Ca 0.02 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 1djm h THR 71 Cb 0.30 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1djm h THR 71 CO 0.02 0.46 -0.03 0.40 0.37 0.00 0.00 175.52 176.74 1djm h ILE 72 N 0.53 1.00 0.00 3.11 2.04 0.03 -2.62 117.51 121.59 1djm h ILE 72 Ca 0.06 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1djm h ILE 72 Cb 0.82 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1djm h ILE 72 CO 0.07 0.04 -0.00 0.03 0.00 0.00 0.00 178.15 178.29 1djm h ARG 73 N -0.16 0.00 0.00 2.37 2.47 -0.52 -1.98 114.38 116.56 1djm h ARG 73 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1djm h ARG 73 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1djm h ARG 73 CO 0.01 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.55 1djm n ALA 74 N -2.29 1.63 -1.06 0.04 0.00 -0.31 -4.83 120.51 113.70 1djm n ALA 74 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1djm n ALA 74 Cb 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1djm n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1djm n ASP 75 N -1.17 -0.55 -1.80 0.00 -0.08 -0.74 -4.97 116.55 107.24 1djm n ASP 75 Ca 0.04 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.30 1djm n ASP 75 Cb 0.05 -0.26 -0.04 0.00 2.34 0.00 0.00 41.12 43.20 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1djm n GLY 76 N -0.96 2.14 2.41 0.27 0.00 -1.25 -4.44 105.19 103.36 1djm n GLY 76 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.96 0.00 0.02 4.61 0.00 -1.26 -4.89 120.51 120.95 1djm n ALA 77 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1djm n ALA 77 Cb 0.47 -0.33 0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.05 0.24 -0.22 0.00 2.81 -1.26 -4.72 117.12 111.91 1djm n MET 78 Ca 0.00 -0.84 0.10 0.00 -1.81 0.00 0.00 57.70 55.15 1djm n MET 78 Cb 0.10 -1.02 0.37 0.00 -0.71 0.00 0.00 33.22 31.96 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 0.16 0.64 0.88 7.83 4.64 -1.86 -1.81 113.55 124.03 1djm h SER 79 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1djm h SER 79 Cb 0.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1djm h SER 79 CO 0.00 0.37 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 1djm n ALA 80 N -2.45 1.96 -1.72 5.18 0.00 -1.26 -4.88 120.51 117.35 1djm n ALA 80 Ca 0.14 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1djm n ALA 80 Cb 0.36 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 1djm n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1djm n LEU 81 N -1.82 3.93 -4.60 0.00 4.77 -0.68 -4.94 117.00 113.66 1djm n LEU 81 Ca 0.05 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.74 1djm n LEU 81 Cb 0.28 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.81 1djm n LEU 81 CO 0.22 -0.07 1.38 -2.16 -1.33 0.00 0.00 177.39 175.42 1djm s PRO 82 N -0.48 3.45 -0.35 3.23 0.04 -1.26 -4.90 135.00 134.74 1djm s PRO 82 Ca 0.65 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1djm s PRO 82 Cb -0.55 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1djm s PRO 82 CO 0.49 -1.71 0.21 0.14 0.04 0.00 0.00 177.00 176.16 1djm s VAL 83 N 6.14 4.86 -0.25 -0.36 -7.23 -1.26 -1.76 120.40 120.54 1djm s VAL 83 Ca 0.70 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1djm s VAL 83 Cb -0.18 -3.57 0.05 0.00 0.56 0.00 0.00 36.38 33.25 1djm s VAL 83 CO 0.33 -0.07 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.73 1djm s LEU 84 N 1.64 3.31 -0.01 1.32 2.96 -0.19 -0.45 118.68 127.26 1djm s LEU 84 Ca 0.04 -1.22 -0.25 0.00 -0.22 0.00 0.00 54.13 52.48 1djm s LEU 84 Cb -0.18 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1djm s LEU 84 CO 0.08 -0.17 0.76 -0.04 -1.32 0.00 0.00 176.35 175.66 1djm s MET 85 N 1.17 4.47 -0.07 1.98 -1.94 -0.50 -1.48 119.30 122.94 1djm s MET 85 Ca -0.06 1.02 0.01 0.00 -1.71 0.00 0.00 55.69 54.96 1djm s MET 85 Cb -0.19 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.26 1djm s MET 85 CO -0.05 0.15 -0.08 0.08 -0.01 0.00 0.00 175.02 175.11 1djm s VAL 86 N 0.44 0.84 0.25 -6.03 1.01 0.16 -0.74 120.40 116.33 1djm s VAL 86 Ca 0.40 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1djm s VAL 86 Cb -0.19 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1djm s VAL 86 CO 0.21 0.30 0.77 0.28 0.00 0.00 0.00 175.10 176.67 1djm s THR 87 N 1.02 0.00 -0.79 3.92 -1.32 -0.75 -3.65 115.64 114.06 1djm s THR 87 Ca -0.09 -0.89 0.25 0.00 -1.21 0.00 0.00 61.69 59.76 1djm s THR 87 Cb -0.14 -1.96 0.09 0.00 -1.51 0.00 0.00 72.50 68.98 1djm s THR 87 CO -0.00 0.00 1.49 0.00 -2.21 0.00 0.00 174.62 173.89 1djm n ALA 88 N -0.46 2.92 -2.64 11.08 0.00 -1.26 -0.78 120.51 129.38 1djm n ALA 88 Ca -0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1djm n ALA 88 Cb 0.60 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 -3.09 4.15 -0.01 0.00 2.02 -1.26 -4.48 118.70 116.03 1djm s GLU 89 Ca 0.09 0.88 0.08 0.00 0.02 0.00 0.00 54.97 56.04 1djm s GLU 89 Cb 0.15 -3.66 0.24 0.00 0.10 0.00 0.00 34.13 30.96 1djm s GLU 89 CO 0.67 -0.54 1.17 0.00 0.02 0.00 0.00 175.26 176.58 1djm n ALA 90 N 6.03 2.51 -1.65 5.21 0.00 -1.26 -4.78 120.51 126.57 1djm n ALA 90 Ca 0.05 -0.49 -0.52 0.00 0.00 0.00 0.00 53.44 52.49 1djm n ALA 90 Cb 0.48 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 0.27 1.65 -0.16 0.00 4.81 -1.26 -4.87 118.16 118.60 1djm n LYS 91 Ca 0.09 0.58 -0.02 0.00 -0.87 0.00 0.00 58.31 58.09 1djm n LYS 91 Cb 0.26 -2.46 0.07 0.00 0.02 0.00 0.00 35.03 32.92 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1djm h LYS 92 N 9.32 0.19 -0.80 1.64 1.57 -2.00 0.10 116.57 126.60 1djm h LYS 92 Ca -0.44 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.52 1djm h LYS 92 Cb 1.29 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.43 1djm h LYS 92 CO 0.97 0.13 0.12 0.93 -0.57 0.00 0.00 179.45 181.03 1djm h GLU 93 N 0.20 0.17 -0.41 3.15 4.39 -1.99 -0.18 114.58 119.90 1djm h GLU 93 Ca 0.26 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 1djm h GLU 93 Cb 0.36 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1djm h GLU 93 CO -0.36 0.11 0.06 -0.91 -1.16 0.00 0.00 179.01 176.75 1djm h ASN 94 N 0.18 0.67 -0.27 1.42 4.21 -1.20 0.14 115.58 120.73 1djm h ASN 94 Ca 0.46 -0.27 0.04 0.00 1.21 0.00 0.00 56.30 57.74 1djm h ASN 94 Cb 0.86 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 1djm h ASN 94 CO -0.63 0.77 0.06 0.40 -1.29 0.00 0.00 177.43 176.74 1djm h ILE 95 N 0.54 0.88 0.41 2.81 5.03 -0.32 0.21 117.51 127.07 1djm h ILE 95 Ca 0.12 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.79 1djm h ILE 95 Cb 0.39 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1djm h ILE 95 CO 0.01 0.03 -0.20 0.40 -0.68 0.00 0.00 178.15 177.72 1djm h ILE 96 N 0.17 0.60 -0.61 -0.67 2.04 -0.78 -1.88 117.51 116.38 1djm h ILE 96 Ca 0.12 -0.18 0.13 0.00 1.00 0.00 0.00 64.86 65.93 1djm h ILE 96 Cb 0.12 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 1djm h ILE 96 CO -0.16 0.04 -0.02 0.00 0.00 0.00 0.00 178.15 178.01 1djm h ALA 97 N -0.09 0.58 0.55 1.87 0.00 -0.51 0.27 119.26 121.93 1djm h ALA 97 Ca -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1djm h ALA 97 Cb 0.48 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1djm h ALA 97 CO 0.09 -0.40 -0.30 0.00 0.00 0.00 0.00 179.25 178.64 1djm h ALA 98 N 1.56 -0.80 0.00 0.00 0.00 -0.89 0.55 119.26 119.68 1djm h ALA 98 Ca 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1djm h ALA 98 Cb 0.51 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1djm h ALA 98 CO -0.54 -0.96 -0.14 0.00 0.00 0.00 0.00 179.25 177.61 1djm h ALA 99 N -0.37 1.24 0.23 0.00 0.00 -0.44 0.14 119.26 120.06 1djm h ALA 99 Ca -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1djm h ALA 99 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1djm h ALA 99 CO 0.09 0.18 -0.11 1.96 0.00 0.00 0.00 179.25 181.37 1djm h GLN 100 N 0.00 -0.30 -0.85 0.00 1.08 -0.30 -3.26 115.11 111.48 1djm h GLN 100 Ca -0.00 0.02 0.17 0.00 -1.45 0.00 0.00 58.65 57.38 1djm h GLN 100 Cb 0.41 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 1djm h GLN 100 CO 0.02 0.01 0.56 0.00 -0.95 0.00 0.00 178.83 178.47 1djm h ALA 101 N -0.67 2.03 0.00 3.87 0.00 -0.74 -3.46 119.26 120.31 1djm h ALA 101 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1djm h ALA 101 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1djm h ALA 101 CO 0.05 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1djm n GLY 102 N -1.48 1.92 3.73 0.00 0.00 -0.05 -4.93 105.19 104.39 1djm n GLY 102 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 103 N -0.45 1.88 0.93 4.61 0.00 0.29 -4.88 120.51 122.89 1djm n ALA 103 Ca 0.00 0.36 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1djm n ALA 103 Cb 0.00 -2.35 0.49 0.00 0.00 0.00 0.00 19.45 17.59 1djm n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1djm n SER 104 N 1.04 0.00 -3.60 0.00 7.64 0.41 -4.77 113.62 114.34 1djm n SER 104 Ca 0.05 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1djm n SER 104 Cb 0.37 -0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1djm n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1djm s GLY 105 N -2.55 -0.36 -0.17 0.23 0.00 -1.14 -4.87 107.32 98.46 1djm s GLY 105 Ca 0.19 1.31 -0.04 0.00 0.00 0.00 0.00 44.72 46.17 1djm s GLY 105 CO 0.30 0.36 0.07 -0.47 0.00 0.00 0.00 173.10 173.35 1djm s TYR 106 N -2.16 0.52 -0.35 1.90 5.04 -1.26 -1.41 117.35 119.63 1djm s TYR 106 Ca 0.13 -0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 54.26 1djm s TYR 106 Cb 0.03 -0.81 0.08 0.00 0.35 0.00 0.00 41.96 41.61 1djm s TYR 106 CO -0.05 -0.53 0.10 0.08 -1.34 0.00 0.00 175.55 173.81 1djm s VAL 107 N 2.03 3.03 0.38 3.14 1.01 0.08 -5.00 120.40 125.08 1djm s VAL 107 Ca 0.01 -1.80 -0.22 0.00 0.00 0.00 0.00 61.98 59.97 1djm s VAL 107 Cb -0.16 -2.95 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1djm s VAL 107 CO -0.08 -0.43 0.92 -0.69 0.00 0.00 0.00 175.10 174.83 1djm s VAL 108 N 1.16 4.35 0.50 2.92 1.01 -1.26 -1.82 120.40 127.27 1djm s VAL 108 Ca 0.03 1.56 -0.22 0.00 0.00 0.00 0.00 61.98 63.35 1djm s VAL 108 Cb -0.21 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1djm s VAL 108 CO -0.03 -0.13 1.22 -1.59 0.00 0.00 0.00 175.10 174.56 1djm s LYS 109 N -2.73 3.47 0.30 2.72 -2.85 0.04 -3.82 119.74 116.87 1djm s LYS 109 Ca 0.57 1.88 -0.29 0.00 -1.00 0.00 0.00 55.97 57.13 1djm s LYS 109 Cb -0.13 -2.28 -0.10 0.00 -2.06 0.00 0.00 37.83 33.27 1djm s LYS 109 CO 0.17 -0.82 1.21 -1.25 0.10 0.00 0.00 175.35 174.76 1djm s PRO 110 N -2.88 4.50 0.01 1.78 0.04 -1.26 -4.92 135.00 132.27 1djm s PRO 110 Ca 0.68 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.72 1djm s PRO 110 Cb -0.31 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1djm s PRO 110 CO 0.37 0.00 0.00 -0.59 0.04 0.00 0.00 177.00 176.83 1djm s PHE 111 N -1.08 0.17 0.22 0.56 -0.12 -1.25 -5.09 117.98 111.39 1djm s PHE 111 Ca 0.47 -0.36 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 1djm s PHE 111 Cb -0.36 -0.13 -0.00 0.00 -0.63 0.00 0.00 43.02 41.90 1djm s PHE 111 CO 0.46 -0.17 0.26 0.25 -0.05 0.00 0.00 175.22 175.97 1djm n THR 112 N 1.86 0.00 -0.19 -4.49 -2.24 -1.26 -5.02 114.28 102.93 1djm n THR 112 Ca -0.22 -1.33 0.21 0.00 -2.27 0.00 0.00 64.05 60.44 1djm n THR 112 Cb 0.56 0.74 0.58 0.00 -2.10 0.00 0.00 70.33 70.11 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 1.77 2.36 -0.96 6.98 0.00 -1.98 -0.98 119.26 126.45 1djm h ALA 113 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1djm h ALA 113 Cb 0.77 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1djm h ALA 113 CO 0.23 -0.62 0.61 0.00 0.00 0.00 0.00 179.25 179.48 1djm h ALA 114 N 1.62 1.35 0.00 0.00 0.00 -1.97 -0.58 119.26 119.68 1djm h ALA 114 Ca 0.42 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1djm h ALA 114 Cb 1.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1djm h ALA 114 CO -0.11 0.36 -1.56 -2.37 0.00 0.00 0.00 179.25 175.57 1djm n THR 115 N -4.56 1.41 0.18 0.00 5.66 -0.48 -3.58 114.28 112.92 1djm n THR 115 Ca 0.15 -0.75 -0.14 0.00 -3.05 0.00 0.00 64.05 60.26 1djm n THR 115 Cb 0.21 -0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 68.01 1djm n THR 115 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1djm h LEU 116 N 0.00 -0.45 -0.82 1.09 7.12 -0.76 0.60 115.31 122.10 1djm h LEU 116 Ca -0.22 0.03 -0.09 0.00 0.13 0.00 0.00 57.88 57.73 1djm h LEU 116 Cb 1.81 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 42.05 1djm h LEU 116 CO 0.06 -0.28 -0.07 1.05 -0.13 0.00 0.00 178.44 179.07 1djm h GLU 117 N -0.44 0.82 -0.19 1.25 -0.00 -1.29 -0.68 114.58 114.04 1djm h GLU 117 Ca -0.02 -0.26 -0.07 0.00 -0.00 0.00 0.00 59.36 59.01 1djm h GLU 117 Cb 0.37 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 29.04 1djm h GLU 117 CO 0.02 0.87 -0.16 1.49 -0.00 0.00 0.00 179.01 181.22 1djm h GLU 118 N 0.75 0.44 -0.81 1.06 4.57 -1.58 -0.19 114.58 118.83 1djm h GLU 118 Ca 0.13 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1djm h GLU 118 Cb 0.55 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 1djm h GLU 118 CO 0.03 0.78 0.46 0.87 -1.18 0.00 0.00 179.01 179.97 1djm h LYS 119 N 0.11 1.11 0.59 1.92 1.79 -0.78 -1.21 116.57 120.11 1djm h LYS 119 Ca 0.03 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1djm h LYS 119 Cb 0.69 -0.22 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1djm h LYS 119 CO 0.04 0.80 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.86 1djm h LEU 120 N 1.12 -0.67 -1.50 2.94 3.38 -0.68 -1.64 115.31 118.25 1djm h LEU 120 Ca 0.29 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.26 1djm h LEU 120 Cb -0.00 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1djm h LEU 120 CO -0.05 -0.40 0.35 -1.13 0.09 0.00 0.00 178.44 177.30 1djm h ASN 121 N -0.90 0.57 -0.19 -0.43 -1.24 -1.01 0.11 115.58 112.49 1djm h ASN 121 Ca -0.08 -0.01 0.05 0.00 0.71 0.00 0.00 56.30 56.96 1djm h ASN 121 Cb 0.65 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.51 1djm h ASN 121 CO 0.13 0.41 -0.10 0.11 -1.29 0.00 0.00 177.43 176.69 1djm h LYS 122 N 0.67 -0.08 0.00 6.67 1.57 -0.98 -0.95 116.57 123.48 1djm h LYS 122 Ca 0.20 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1djm h LYS 122 Cb -0.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1djm h LYS 122 CO -0.05 -0.05 -0.46 -0.84 -0.57 0.00 0.00 179.45 177.48 1djm h ILE 123 N -0.08 0.75 0.31 1.86 3.07 -0.50 -0.18 117.51 122.73 1djm h ILE 123 Ca 0.11 -2.07 -0.00 0.00 1.55 0.00 0.00 64.86 64.45 1djm h ILE 123 Cb 0.24 2.37 -0.02 0.00 -0.27 0.00 0.00 36.82 39.14 1djm h ILE 123 CO -0.25 0.43 -0.30 -0.26 -1.05 0.00 0.00 178.15 176.72 1djm h PHE 124 N 0.00 -0.80 -0.02 0.16 0.04 -0.55 -1.56 116.94 114.20 1djm h PHE 124 Ca -0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1djm h PHE 124 Cb 1.34 0.31 0.01 0.00 2.20 0.00 0.00 35.95 39.81 1djm h PHE 124 CO 0.00 -0.43 -0.32 0.93 -0.60 0.00 0.00 178.31 177.88 1djm h GLU 125 N -0.64 0.26 0.00 1.51 5.08 -1.19 -2.10 114.58 117.51 1djm h GLU 125 Ca -0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1djm h GLU 125 Cb 0.58 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1djm h GLU 125 CO -0.06 0.94 0.00 1.17 -1.00 0.00 0.00 179.01 180.06 1djm n LYS 126 N -4.44 0.00 0.23 2.33 4.81 -0.08 -3.75 118.16 117.25 1djm n LYS 126 Ca -0.09 0.48 0.08 0.00 -0.87 0.00 0.00 58.31 57.91 1djm n LYS 126 Cb 0.52 -1.27 0.54 0.00 0.02 0.00 0.00 35.03 34.84 1djm n LYS 126 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1djm h LEU 127 N 0.00 0.00 -0.58 3.14 3.38 -1.57 -3.46 115.31 116.22 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 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1djm n GLY 128 N -0.45 0.88 0.00 0.83 0.00 -0.83 -5.05 105.19 100.57 1djm n GLY 128 Ca -0.01 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35