#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 3.76 -0.21 3.04 0.00 -1.26 -5.05 121.76 122.04 1djm s ALA 2 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 1djm s ALA 2 Cb 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 23.12 23.26 1djm s ALA 2 CO 0.00 -0.09 2.00 -0.25 0.00 0.00 0.00 175.76 177.42 1djm n ASP 3 N -1.19 6.08 0.00 0.00 8.00 -1.26 -4.67 116.55 123.51 1djm n ASP 3 Ca -0.12 -2.85 0.01 0.00 0.71 0.00 0.00 54.79 52.55 1djm n ASP 3 Cb 0.67 -1.08 0.08 0.00 -0.02 0.00 0.00 41.12 40.77 1djm n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1djm n LYS 4 N 0.71 0.50 -3.23 -1.24 4.76 -1.26 -3.04 118.16 115.36 1djm n LYS 4 Ca 0.20 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.40 1djm n LYS 4 Cb 0.56 -1.09 -0.07 0.00 -1.84 0.00 0.00 35.03 32.58 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 -0.59 0.69 -1.51 1.97 1.02 -1.26 -5.05 120.64 115.91 1djm n GLU 5 Ca 0.02 -3.26 -0.50 0.00 -0.02 0.00 0.00 57.16 53.40 1djm n GLU 5 Cb 0.01 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.59 0.41 -4.71 -4.62 7.94 -1.17 -4.85 117.00 111.59 1djm n LEU 6 Ca 0.22 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.85 1djm n LEU 6 Cb 0.52 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.35 1djm n LEU 6 CO 0.17 -1.94 0.64 -0.75 -1.11 0.00 0.00 177.39 174.40 1djm s LYS 7 N -0.60 4.50 -0.33 1.96 2.47 -1.26 -4.38 119.74 122.10 1djm s LYS 7 Ca 0.73 1.29 -0.05 0.00 -1.56 0.00 0.00 55.97 56.38 1djm s LYS 7 Cb -0.95 -3.48 0.04 0.00 -1.46 0.00 0.00 37.83 31.99 1djm s LYS 7 CO 0.55 -0.08 0.07 -0.06 0.16 0.00 0.00 175.35 175.99 1djm s PHE 8 N 1.17 3.26 0.26 4.03 0.40 -1.10 -1.26 117.98 124.75 1djm s PHE 8 Ca 0.48 -1.59 -0.29 0.00 -0.60 0.00 0.00 56.93 54.92 1djm s PHE 8 Cb -0.20 -2.24 -0.09 0.00 0.51 0.00 0.00 43.02 41.00 1djm s PHE 8 CO 0.24 -0.76 1.17 -1.17 0.70 0.00 0.00 175.22 175.40 1djm s LEU 9 N 1.35 4.50 -0.22 -0.37 2.96 -0.41 -0.44 118.68 126.05 1djm s LEU 9 Ca -0.03 2.35 -0.01 0.00 -0.22 0.00 0.00 54.13 56.22 1djm s LEU 9 Cb -0.20 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 42.93 1djm s LEU 9 CO 0.01 -0.29 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.06 1djm s VAL 10 N -0.83 1.05 -0.47 1.68 1.01 0.05 -1.13 120.40 121.76 1djm s VAL 10 Ca 0.48 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1djm s VAL 10 Cb -0.34 -1.46 0.40 0.00 0.00 0.00 0.00 36.38 34.98 1djm s VAL 10 CO 0.42 -0.19 1.07 0.52 0.00 0.00 0.00 175.10 176.92 1djm n VAL 11 N 4.84 2.54 -1.23 2.92 0.31 0.21 -2.90 118.33 125.03 1djm n VAL 11 Ca -0.10 -5.09 -0.32 0.00 -0.01 0.00 0.00 64.34 58.82 1djm n VAL 11 Cb 0.45 -1.30 0.10 0.00 -0.91 0.00 0.00 33.84 32.19 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 -3.52 4.17 -0.13 4.52 -4.77 -1.26 -0.92 116.67 114.75 1djm s ASP 12 Ca 0.48 2.01 -0.12 0.00 -3.30 0.00 0.00 52.55 51.62 1djm s ASP 12 Cb 0.37 -2.55 -0.25 0.00 -1.09 0.00 0.00 42.92 39.41 1djm s ASP 12 CO -0.18 -2.26 0.38 -0.78 0.70 0.00 0.00 175.17 173.03 1djm h ASP 13 N -1.01 0.32 -3.58 2.11 3.58 -1.88 -3.45 116.42 112.52 1djm h ASP 13 Ca -0.44 -0.83 -0.64 0.00 0.42 0.00 0.00 57.03 55.54 1djm h ASP 13 Cb 1.25 -0.11 -0.14 0.00 1.72 0.00 0.00 39.33 42.05 1djm h ASP 13 CO 0.49 1.73 0.06 0.12 -2.88 0.00 0.00 179.24 178.77 1djm s PHE 14 N -2.50 3.16 0.35 0.28 5.36 -1.26 -4.98 117.98 118.39 1djm s PHE 14 Ca -0.23 0.27 0.09 0.00 -0.96 0.00 0.00 56.93 56.10 1djm s PHE 14 Cb 0.06 -3.05 0.83 0.00 -0.34 0.00 0.00 43.02 40.51 1djm s PHE 14 CO 0.73 -0.60 1.84 1.03 -1.46 0.00 0.00 175.22 176.77 1djm h SER 15 N 8.47 0.66 -1.03 6.13 0.87 -2.03 0.50 113.55 127.12 1djm h SER 15 Ca -0.27 0.05 0.26 0.00 -1.23 0.00 0.00 61.79 60.60 1djm h SER 15 Cb 1.12 -0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.89 1djm h SER 15 CO 0.81 0.30 0.63 0.74 -0.53 0.00 0.00 176.83 178.79 1djm h THR 16 N 0.68 0.52 0.00 2.23 2.02 -2.00 -1.01 112.91 115.35 1djm h THR 16 Ca 0.48 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.47 1djm h THR 16 Cb 0.82 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1djm h THR 16 CO -0.24 0.09 -0.14 -0.03 0.37 0.00 0.00 175.52 175.57 1djm h MET 17 N 0.49 0.00 0.44 6.66 -1.53 -0.40 -0.32 114.93 120.27 1djm h MET 17 Ca 0.63 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.88 1djm h MET 17 Cb 1.38 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.41 1djm h MET 17 CO -0.40 0.14 -0.33 0.00 0.14 0.00 0.00 176.91 176.46 1djm h ARG 18 N 0.00 -0.74 -0.05 0.39 -0.00 -1.26 0.28 114.38 113.01 1djm h ARG 18 Ca -0.00 0.05 0.04 0.00 -0.50 0.00 0.00 59.98 59.57 1djm h ARG 18 Cb 0.38 0.17 -0.05 0.00 0.00 0.00 0.00 29.97 30.47 1djm h ARG 18 CO 0.02 -0.49 -0.22 0.00 0.00 0.00 0.00 179.97 179.28 1djm h ARG 19 N -0.76 -0.31 0.14 0.04 -0.00 -1.38 -0.38 114.38 111.72 1djm h ARG 19 Ca -0.04 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1djm h ARG 19 Cb 0.65 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.69 1djm h ARG 19 CO 0.00 -0.21 -0.14 0.82 0.00 0.00 0.00 179.97 180.45 1djm h ILE 20 N -0.32 0.00 -0.50 2.04 5.03 -1.00 -0.02 117.51 122.74 1djm h ILE 20 Ca 0.08 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.91 1djm h ILE 20 Cb 0.43 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.14 1djm h ILE 20 CO -0.24 0.00 0.03 0.58 -0.68 0.00 0.00 178.15 177.84 1djm h VAL 21 N -0.27 0.64 -0.28 1.67 2.07 -0.81 0.20 116.25 119.46 1djm h VAL 21 Ca -0.02 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1djm h VAL 21 Cb 0.24 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1djm h VAL 21 CO -0.02 0.03 0.04 -0.09 0.02 0.00 0.00 177.57 177.55 1djm h ARG 22 N 0.14 0.13 -0.44 1.57 2.43 -1.03 -0.81 114.38 116.37 1djm h ARG 22 Ca 0.25 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1djm h ARG 22 Cb 0.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1djm h ARG 22 CO -0.39 0.09 0.18 -0.97 -1.51 0.00 0.00 179.97 177.37 1djm h ASN 23 N 0.14 0.60 -0.66 -3.80 -1.24 0.88 -0.46 115.58 111.05 1djm h ASN 23 Ca 0.13 -0.16 0.06 0.00 0.71 0.00 0.00 56.30 57.04 1djm h ASN 23 Cb 0.15 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1djm h ASN 23 CO -0.19 0.60 0.36 -0.07 -1.29 0.00 0.00 177.43 176.84 1djm h LEU 24 N 0.57 0.53 -0.70 0.34 3.38 -0.37 0.71 115.31 119.77 1djm h LEU 24 Ca 0.15 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1djm h LEU 24 Cb 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1djm h LEU 24 CO -0.01 0.34 0.45 -0.07 0.09 0.00 0.00 178.44 179.23 1djm h LEU 25 N 0.66 0.83 -1.26 1.67 3.38 -0.87 -2.58 115.31 117.15 1djm h LEU 25 Ca 0.30 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1djm h LEU 25 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1djm h LEU 25 CO -0.19 0.62 0.11 0.11 0.09 0.00 0.00 178.44 179.19 1djm h LYS 26 N 0.96 0.62 0.00 1.13 1.79 0.35 -0.06 116.57 121.37 1djm h LYS 26 Ca 0.26 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1djm h LYS 26 Cb -0.07 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1djm h LYS 26 CO -0.05 0.56 0.00 0.39 -1.08 0.00 0.00 179.45 179.27 1djm n GLU 27 N -4.33 0.24 -0.11 3.15 1.02 0.10 -2.01 120.64 118.70 1djm n GLU 27 Ca 0.03 0.13 0.04 0.00 -0.02 0.00 0.00 57.16 57.34 1djm n GLU 27 Cb 0.19 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1djm n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1djm n LEU 28 N -1.25 1.57 0.00 -4.62 4.77 -0.44 -5.02 117.00 112.01 1djm n LEU 28 Ca 0.07 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 1djm n LEU 28 Cb 0.11 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1djm n LEU 28 CO 0.11 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1djm n GLY 29 N -0.73 0.80 3.97 -0.72 0.00 -0.69 -5.03 105.19 102.78 1djm n GLY 29 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.08 3.24 0.00 1.61 0.08 -0.17 -4.95 117.98 114.71 1djm s PHE 30 Ca 0.00 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1djm s PHE 30 Cb 0.00 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1djm s PHE 30 CO 0.00 0.01 0.00 0.27 -0.10 0.00 0.00 175.22 175.40 1djm n ASN 31 N -1.71 0.00 -3.30 1.36 6.94 -1.26 -2.88 115.26 114.41 1djm n ASN 31 Ca -0.02 -0.03 -0.23 0.00 -0.02 0.00 0.00 54.58 54.28 1djm n ASN 31 Cb 0.58 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 38.05 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 -0.03 -6.15 -4.75 0.53 4.13 -1.26 -4.36 115.26 103.37 1djm n ASN 32 Ca 0.00 -0.41 -0.38 0.00 1.68 0.00 0.00 54.58 55.47 1djm n ASN 32 Cb 0.00 -4.91 0.04 0.00 -1.54 0.00 0.00 39.78 33.37 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 -3.24 2.05 0.37 2.41 -7.23 -1.26 -2.70 120.40 110.81 1djm s VAL 33 Ca 0.44 0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.72 1djm s VAL 33 Cb -0.19 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1djm s VAL 33 CO 0.54 -0.00 0.22 -0.70 -0.31 0.00 0.00 175.10 174.85 1djm s GLU 34 N -2.93 2.43 0.37 4.82 2.56 0.42 -4.82 118.70 121.54 1djm s GLU 34 Ca 0.72 -1.57 0.06 0.00 0.00 0.00 0.00 54.97 54.19 1djm s GLU 34 Cb -0.41 -2.22 -0.07 0.00 2.00 0.00 0.00 34.13 33.43 1djm s GLU 34 CO 0.48 -0.01 0.00 -1.21 -0.56 0.00 0.00 175.26 173.96 1djm s GLU 35 N -3.94 1.82 0.27 4.30 8.01 -1.26 -0.77 118.70 127.13 1djm s GLU 35 Ca 0.41 -2.01 0.06 0.00 0.01 0.00 0.00 54.97 53.45 1djm s GLU 35 Cb -0.02 -1.40 -0.06 0.00 -4.31 0.00 0.00 34.13 28.35 1djm s GLU 35 CO 0.24 -0.05 -0.06 0.00 0.01 0.00 0.00 175.26 175.40 1djm s ALA 36 N -2.88 2.27 0.15 5.21 0.00 -1.14 -4.83 121.76 120.54 1djm s ALA 36 Ca 0.35 -1.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 1djm s ALA 36 Cb 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1djm s ALA 36 CO 0.17 -0.08 1.37 0.93 0.00 0.00 0.00 175.76 178.15 1djm h GLU 37 N 2.32 0.40 -2.36 0.00 5.08 -1.91 -3.43 114.58 114.69 1djm h GLU 37 Ca -0.40 -0.38 0.18 0.00 -1.00 0.00 0.00 59.36 57.76 1djm h GLU 37 Cb 1.23 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1djm h GLU 37 CO 0.67 1.04 0.54 0.16 -1.00 0.00 0.00 179.01 180.41 1djm s ASP 38 N -7.02 -0.10 0.54 1.42 1.47 -1.26 -4.91 116.67 106.81 1djm s ASP 38 Ca -0.06 -0.50 0.24 0.00 1.18 0.00 0.00 52.55 53.41 1djm s ASP 38 Cb 0.10 0.48 1.42 0.00 -0.34 0.00 0.00 42.92 44.58 1djm s ASP 38 CO 0.85 -0.91 2.04 1.23 0.68 0.00 0.00 175.17 179.06 1djm h GLY 39 N 2.00 0.00 0.54 2.12 0.00 -1.76 0.35 103.07 106.31 1djm h GLY 39 Ca -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1djm h GLY 39 CO 0.30 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.75 1djm h VAL 40 N 0.00 1.38 -0.23 4.60 2.07 -1.85 -1.57 116.25 120.65 1djm h VAL 40 Ca 0.18 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1djm h VAL 40 Cb 0.74 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1djm h VAL 40 CO -0.00 0.30 0.12 -0.78 0.02 0.00 0.00 177.57 177.22 1djm h ASP 41 N -0.45 0.27 0.22 0.57 3.58 -1.84 -2.68 116.42 116.09 1djm h ASP 41 Ca 0.00 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1djm h ASP 41 Cb 0.49 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1djm h ASP 41 CO 0.00 0.23 -0.11 0.00 -2.88 0.00 0.00 179.24 176.49 1djm h ALA 42 N 1.82 -0.30 -0.62 -0.78 0.00 -0.03 -0.41 119.26 118.94 1djm h ALA 42 Ca 0.08 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1djm h ALA 42 Cb 0.02 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1djm h ALA 42 CO -0.01 -0.57 0.41 1.25 0.00 0.00 0.00 179.25 180.32 1djm h LEU 43 N -0.48 0.59 -0.42 0.00 5.85 -1.16 -0.18 115.31 119.50 1djm h LEU 43 Ca -0.03 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1djm h LEU 43 Cb 0.36 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1djm h LEU 43 CO 0.05 0.40 0.15 -1.13 -0.34 0.00 0.00 178.44 177.57 1djm h ASN 44 N 0.68 0.59 -0.71 1.25 -0.73 -1.11 -1.83 115.58 113.72 1djm h ASN 44 Ca 0.25 -0.18 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 1djm h ASN 44 Cb 0.16 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1djm h ASN 44 CO -0.07 0.62 0.32 0.11 -0.37 0.00 0.00 177.43 178.04 1djm h LYS 45 N 0.54 1.06 -0.34 6.67 6.56 0.48 -2.48 116.57 129.07 1djm h LYS 45 Ca 0.14 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1djm h LYS 45 Cb 0.22 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1djm h LYS 45 CO -0.01 0.84 0.22 -0.07 -2.06 0.00 0.00 179.45 178.38 1djm h LEU 46 N 1.05 0.38 -1.92 2.94 3.38 -0.94 -1.15 115.31 119.06 1djm h LEU 46 Ca 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1djm h LEU 46 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1djm h LEU 46 CO -0.03 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1djm n GLN 47 N -4.85 0.88 -1.17 1.13 6.02 -0.70 -1.27 117.38 117.42 1djm n GLN 47 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1djm n GLN 47 Cb 0.02 -1.09 0.15 0.00 1.02 0.00 0.00 30.24 30.35 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1djm n ALA 48 N 0.52 5.22 0.00 -1.58 0.00 -0.43 -4.92 120.51 119.31 1djm n ALA 48 Ca 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.25 1djm n ALA 48 Cb 0.42 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.06 1.42 1.59 0.00 0.00 -1.10 -4.81 105.19 101.23 1djm n GLY 49 Ca 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 1djm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djm n GLY 50 N -1.14 -1.40 3.66 -0.02 0.00 -0.39 -5.06 105.19 100.84 1djm n GLY 50 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.81 1.98 0.06 1.61 1.51 -1.26 -5.00 117.35 115.43 1djm s TYR 51 Ca 0.01 0.94 -0.15 0.00 -1.01 0.00 0.00 57.07 56.86 1djm s TYR 51 Cb -0.00 -3.28 -0.26 0.00 -0.11 0.00 0.00 41.96 38.31 1djm s TYR 51 CO 0.05 -3.04 1.14 0.78 -1.11 0.00 0.00 175.55 173.38 1djm h GLY 52 N -2.00 0.71 -3.95 0.71 0.00 -1.56 -3.48 103.07 93.51 1djm h GLY 52 Ca -0.55 -1.34 -0.15 0.00 0.00 0.00 0.00 47.33 45.29 1djm h GLY 52 CO 0.57 1.18 -0.69 -1.36 0.00 0.00 0.00 176.54 176.24 1djm s PHE 53 N -3.17 0.44 -0.46 5.60 0.40 -1.20 -4.46 117.98 115.12 1djm s PHE 53 Ca -0.10 -0.84 0.07 0.00 -0.60 0.00 0.00 56.93 55.46 1djm s PHE 53 Cb 0.06 -0.32 0.24 0.00 0.51 0.00 0.00 43.02 43.51 1djm s PHE 53 CO 0.91 -0.29 0.56 0.28 0.70 0.00 0.00 175.22 177.39 1djm n VAL 54 N 0.72 0.11 -2.99 -0.44 0.31 -0.83 -1.28 118.33 113.94 1djm n VAL 54 Ca -0.18 -4.30 -0.40 0.00 -0.01 0.00 0.00 64.34 59.45 1djm n VAL 54 Cb 0.58 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 1djm n VAL 54 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1djm s ILE 55 N -1.43 5.01 0.08 2.52 1.01 -0.28 -2.41 121.20 125.70 1djm s ILE 55 Ca 0.36 1.54 -0.13 0.00 0.00 0.00 0.00 60.65 62.41 1djm s ILE 55 Cb 0.15 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1djm s ILE 55 CO -0.09 0.22 0.31 -0.44 0.00 0.00 0.00 174.94 174.93 1djm s SER 56 N 0.86 -0.10 0.98 3.58 0.01 -0.55 -0.62 113.70 117.86 1djm s SER 56 Ca 0.39 -0.34 -0.14 0.00 1.31 0.00 0.00 55.95 57.18 1djm s SER 56 Cb -0.18 0.39 0.18 0.00 0.21 0.00 0.00 66.02 66.62 1djm s SER 56 CO 0.19 -0.72 1.14 -0.62 0.41 0.00 0.00 173.24 173.65 1djm s ASP 57 N -2.48 2.90 0.01 2.44 -1.08 -0.10 -0.36 116.67 117.99 1djm s ASP 57 Ca -0.00 0.88 -0.25 0.00 -0.52 0.00 0.00 52.55 52.65 1djm s ASP 57 Cb 0.01 -1.37 -0.14 0.00 -1.46 0.00 0.00 42.92 39.96 1djm s ASP 57 CO -0.08 -2.92 1.08 -0.25 0.52 0.00 0.00 175.17 173.51 1djm h TRP 58 N -1.76 -0.77 -0.11 -5.34 2.91 -1.90 -3.39 115.95 105.59 1djm h TRP 58 Ca -0.50 -0.02 -0.69 0.00 1.13 0.00 0.00 58.89 58.81 1djm h TRP 58 Cb 1.32 0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 30.19 1djm h TRP 58 CO -0.22 -0.45 2.88 -1.71 -1.03 0.00 0.00 178.44 177.91 1djm n ASN 59 N -5.34 3.80 -4.89 2.65 5.15 -1.26 -0.33 115.26 115.04 1djm n ASN 59 Ca -0.11 -2.83 -0.29 0.00 -0.60 0.00 0.00 54.58 50.75 1djm n ASN 59 Cb 0.34 -1.60 -0.03 0.00 -0.53 0.00 0.00 39.78 37.96 1djm n ASN 59 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1djm s MET 60 N 3.62 3.70 0.72 1.20 -1.94 -1.26 -4.84 119.30 120.51 1djm s MET 60 Ca 0.50 0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 54.57 1djm s MET 60 Cb 0.13 -2.55 0.02 0.00 2.01 0.00 0.00 34.83 34.44 1djm s MET 60 CO -0.04 0.13 1.07 -1.25 -0.01 0.00 0.00 175.02 174.92 1djm s PRO 61 N -3.61 2.71 0.00 2.03 0.04 -1.26 -3.96 135.00 130.95 1djm s PRO 61 Ca 0.47 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1djm s PRO 61 Cb -0.11 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1djm s PRO 61 CO 0.30 -1.28 0.00 -1.71 0.04 0.00 0.00 177.00 174.34 1djm n ASN 62 N -3.26 0.00 -4.47 6.66 5.15 -1.26 -3.76 115.26 114.33 1djm n ASN 62 Ca 0.08 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.62 1djm n ASN 62 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1djm n ASN 62 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1djm n MET 63 N 0.00 3.35 -1.48 1.20 1.56 -1.26 -5.01 117.12 115.48 1djm n MET 63 Ca 0.00 -3.77 -0.38 0.00 -0.27 0.00 0.00 57.70 53.28 1djm n MET 63 Cb 0.00 -3.10 0.04 0.00 2.15 0.00 0.00 33.22 32.31 1djm n MET 63 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1djm n ASP 64 N 5.94 -0.85 0.25 6.12 2.03 -1.25 -3.37 116.55 125.42 1djm n ASP 64 Ca 0.38 0.74 0.09 0.00 0.52 0.00 0.00 54.79 56.52 1djm n ASP 64 Cb 0.43 -1.20 0.64 0.00 -0.72 0.00 0.00 41.12 40.27 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 0.23 0.00 1.89 0.27 0.00 -0.88 0.93 103.07 105.51 1djm h GLY 65 Ca -0.46 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 1djm h GLY 65 CO 0.47 0.00 -0.83 -2.00 0.00 0.00 0.00 176.54 174.19 1djm h LEU 66 N 0.00 0.13 -0.50 3.11 7.12 -1.87 -1.75 115.31 121.55 1djm h LEU 66 Ca -0.00 -0.10 -0.12 0.00 0.13 0.00 0.00 57.88 57.79 1djm h LEU 66 Cb 0.24 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1djm h LEU 66 CO 0.02 0.90 -0.15 -0.33 -0.13 0.00 0.00 178.44 178.74 1djm h GLU 67 N 0.06 0.98 -0.08 1.25 4.39 -1.18 -0.29 114.58 119.70 1djm h GLU 67 Ca -0.02 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.32 1djm h GLU 67 Cb 1.44 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 1djm h GLU 67 CO 0.12 1.06 -0.11 1.25 -1.16 0.00 0.00 179.01 180.16 1djm h LEU 68 N 0.83 -0.35 0.13 1.33 5.85 -1.20 0.60 115.31 122.51 1djm h LEU 68 Ca 0.12 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1djm h LEU 68 Cb 0.72 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1djm h LEU 68 CO 0.05 -0.16 -0.39 0.25 -0.34 0.00 0.00 178.44 177.86 1djm h LEU 69 N -0.16 -1.15 -1.64 2.25 5.85 -1.22 -1.43 115.31 117.82 1djm h LEU 69 Ca 0.07 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1djm h LEU 69 Cb 0.25 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1djm h LEU 69 CO -0.17 -0.47 -0.17 0.11 -0.34 0.00 0.00 178.44 177.40 1djm h LYS 70 N -0.63 0.02 0.52 1.25 1.57 -0.70 0.19 116.57 118.79 1djm h LYS 70 Ca 0.02 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1djm h LYS 70 Cb 0.66 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.97 1djm h LYS 70 CO -0.22 0.19 -0.25 1.15 -0.57 0.00 0.00 179.45 179.74 1djm h THR 71 N 0.02 0.46 -0.61 -0.16 2.02 -0.55 -3.17 112.91 110.93 1djm h THR 71 Ca 0.00 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1djm h THR 71 Cb 0.31 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1djm h THR 71 CO 0.02 0.03 0.40 0.40 0.37 0.00 0.00 175.52 176.74 1djm h ILE 72 N -0.81 1.14 -0.14 3.11 2.04 -0.51 -2.79 117.51 119.55 1djm h ILE 72 Ca -0.07 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1djm h ILE 72 Cb 0.59 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1djm h ILE 72 CO 0.12 0.15 0.15 -0.09 0.00 0.00 0.00 178.15 178.47 1djm h ARG 73 N 0.81 0.00 0.00 2.37 9.65 -0.66 -0.83 114.38 125.72 1djm h ARG 73 Ca 0.23 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 1djm h ARG 73 Cb -0.08 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1djm h ARG 73 CO -0.06 0.00 -0.70 0.00 2.80 0.00 0.00 179.97 182.01 1djm h ALA 74 N 1.84 0.70 -2.62 2.80 0.00 -1.47 -3.41 119.26 117.10 1djm h ALA 74 Ca 0.07 -0.21 -0.52 0.00 0.00 0.00 0.00 54.91 54.25 1djm h ALA 74 Cb 0.36 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1djm h ALA 74 CO -0.00 0.24 0.55 0.34 0.00 0.00 0.00 179.25 180.38 1djm s ASP 75 N -5.84 7.10 0.22 0.00 -1.08 -0.37 -4.90 116.67 111.80 1djm s ASP 75 Ca 0.02 2.17 0.19 0.00 -0.52 0.00 0.00 52.55 54.41 1djm s ASP 75 Cb 0.08 -2.60 0.90 0.00 -1.46 0.00 0.00 42.92 39.84 1djm s ASP 75 CO 0.75 -0.38 1.59 0.61 0.52 0.00 0.00 175.17 178.26 1djm n GLY 76 N 2.43 -1.02 0.35 2.66 0.00 -1.26 -1.09 105.19 107.26 1djm n GLY 76 Ca 0.05 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.72 1.47 0.42 4.61 0.00 -1.26 -4.78 120.51 119.26 1djm n ALA 77 Ca 0.01 -0.63 0.10 0.00 0.00 0.00 0.00 53.44 52.92 1djm n ALA 77 Cb 0.13 0.11 0.41 0.00 0.00 0.00 0.00 19.45 20.10 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 -4.17 0.11 0.19 0.00 2.81 -1.13 -1.01 117.12 113.92 1djm n MET 78 Ca -0.14 0.36 0.16 0.00 -1.81 0.00 0.00 57.70 56.27 1djm n MET 78 Cb 0.43 -1.72 0.79 0.00 -0.71 0.00 0.00 33.22 32.01 1djm n MET 78 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1djm h SER 79 N 0.00 0.00 0.74 7.83 0.87 -0.51 0.60 113.55 123.08 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1djm h SER 79 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1djm h SER 79 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1djm n ALA 80 N -2.41 1.97 -1.77 6.23 0.00 -0.18 -4.85 120.51 119.50 1djm n ALA 80 Ca 0.02 -0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 1djm n ALA 80 Cb 0.31 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.03 4.20 -1.00 0.00 1.43 0.20 -4.94 118.68 115.55 1djm s LEU 81 Ca 0.10 2.47 -0.23 0.00 -1.03 0.00 0.00 54.13 55.44 1djm s LEU 81 Cb 0.14 -3.97 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 1djm s LEU 81 CO 0.39 -0.75 1.82 -2.16 0.23 0.00 0.00 176.35 175.88 1djm s PRO 82 N -2.27 2.88 -1.02 1.29 0.04 -1.26 -4.83 135.00 129.83 1djm s PRO 82 Ca 0.57 -0.72 -0.23 0.00 0.04 0.00 0.00 61.00 60.66 1djm s PRO 82 Cb -0.34 -5.19 0.02 0.00 0.04 0.00 0.00 34.50 29.04 1djm s PRO 82 CO 0.43 -3.13 1.63 0.14 0.04 0.00 0.00 177.00 176.11 1djm s VAL 83 N 8.67 3.80 -0.30 -0.36 -7.23 -1.26 -1.96 120.40 121.77 1djm s VAL 83 Ca 0.63 -0.76 -0.15 0.00 -1.81 0.00 0.00 61.98 59.89 1djm s VAL 83 Cb -0.04 -4.77 -0.03 0.00 0.56 0.00 0.00 36.38 32.11 1djm s VAL 83 CO -0.00 -1.64 0.37 -0.22 -0.31 0.00 0.00 175.10 173.29 1djm s LEU 84 N 6.52 4.17 -0.22 1.32 2.96 -1.01 -0.97 118.68 131.45 1djm s LEU 84 Ca 0.54 0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.37 1djm s LEU 84 Cb -0.01 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1djm s LEU 84 CO -0.05 -0.24 0.53 -0.04 -1.32 0.00 0.00 176.35 175.23 1djm s MET 85 N 2.06 4.15 -0.31 1.98 -1.94 -0.48 -1.49 119.30 123.28 1djm s MET 85 Ca 0.14 0.41 -0.01 0.00 -1.71 0.00 0.00 55.69 54.52 1djm s MET 85 Cb -0.16 -3.59 0.10 0.00 2.01 0.00 0.00 34.83 33.19 1djm s MET 85 CO 0.11 -0.22 0.11 0.08 -0.01 0.00 0.00 175.02 175.08 1djm s VAL 86 N 1.89 0.82 0.12 -6.03 1.01 0.51 -0.57 120.40 118.15 1djm s VAL 86 Ca 0.24 -1.41 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1djm s VAL 86 Cb -0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1djm s VAL 86 CO 0.09 -0.69 0.10 1.07 0.00 0.00 0.00 175.10 175.67 1djm n THR 87 N 4.81 0.00 0.39 3.92 5.66 -0.46 -3.69 114.28 124.91 1djm n THR 87 Ca -0.02 -0.89 0.08 0.00 -3.05 0.00 0.00 64.05 60.18 1djm n THR 87 Cb 0.42 0.44 -0.12 0.00 -1.55 0.00 0.00 70.33 69.52 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 -2.17 3.42 -2.45 1.79 0.00 -1.26 -0.88 120.51 118.96 1djm n ALA 88 Ca -0.04 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 1djm n ALA 88 Cb 0.22 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.90 3.28 0.00 0.00 0.41 -1.26 -4.50 118.70 113.73 1djm s GLU 89 Ca -0.00 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 1djm s GLU 89 Cb 0.12 -4.13 0.00 0.00 -1.78 0.00 0.00 34.13 28.34 1djm s GLU 89 CO 0.71 -1.99 0.67 0.00 -0.49 0.00 0.00 175.26 174.16 1djm n ALA 90 N 9.50 -0.26 -3.16 5.21 0.00 -1.26 -4.91 120.51 125.63 1djm n ALA 90 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1djm n ALA 90 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.46 -0.53 -0.17 0.00 3.00 -1.26 -3.92 118.16 113.81 1djm n LYS 91 Ca 0.00 0.89 -0.03 0.00 -0.00 0.00 0.00 58.31 59.17 1djm n LYS 91 Cb 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 35.03 34.08 1djm n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1djm n LYS 92 N 1.63 -0.15 -0.36 1.64 0.00 -1.26 0.04 118.16 119.70 1djm n LYS 92 Ca 0.00 0.64 0.07 0.00 -0.00 0.00 0.00 58.31 59.02 1djm n LYS 92 Cb 0.36 -0.95 0.23 0.00 -0.00 0.00 0.00 35.03 34.68 1djm n LYS 92 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1djm h GLU 93 N 0.00 0.95 -0.29 -1.58 4.81 -1.99 -0.23 114.58 116.25 1djm h GLU 93 Ca 0.10 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 1djm h GLU 93 Cb 0.20 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1djm h GLU 93 CO -0.40 0.63 -0.52 -0.91 -0.73 0.00 0.00 179.01 177.07 1djm h ASN 94 N 0.98 0.94 -0.01 1.04 -0.26 -0.64 0.17 115.58 117.80 1djm h ASN 94 Ca 0.49 -0.49 0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1djm h ASN 94 Cb 0.47 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1djm h ASN 94 CO -0.26 1.29 -0.03 0.40 -1.06 0.00 0.00 177.43 177.76 1djm h ILE 95 N 0.66 0.91 -0.57 2.81 2.04 -0.24 0.50 117.51 123.62 1djm h ILE 95 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1djm h ILE 95 Cb 1.12 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 1djm h ILE 95 CO 0.12 0.00 0.19 0.40 0.00 0.00 0.00 178.15 178.86 1djm h ILE 96 N -0.05 0.76 -0.43 -0.67 2.04 -1.08 -0.01 117.51 118.07 1djm h ILE 96 Ca 0.02 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1djm h ILE 96 Cb 0.08 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1djm h ILE 96 CO -0.04 0.07 0.19 0.00 0.00 0.00 0.00 178.15 178.36 1djm h ALA 97 N 1.40 0.53 -0.62 1.87 0.00 -0.16 0.26 119.26 122.54 1djm h ALA 97 Ca 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1djm h ALA 97 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1djm h ALA 97 CO -0.30 -0.18 0.28 0.00 0.00 0.00 0.00 179.25 179.05 1djm h ALA 98 N 1.25 0.80 -0.30 0.00 0.00 -0.73 0.53 119.26 120.80 1djm h ALA 98 Ca 0.19 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1djm h ALA 98 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1djm h ALA 98 CO -0.16 0.39 -0.32 0.00 0.00 0.00 0.00 179.25 179.16 1djm h ALA 99 N 1.12 0.87 -0.28 0.00 0.00 -0.37 0.35 119.26 120.95 1djm h ALA 99 Ca 0.21 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1djm h ALA 99 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1djm h ALA 99 CO -0.02 0.63 -0.14 1.96 0.00 0.00 0.00 179.25 181.67 1djm h GLN 100 N 0.55 0.59 0.00 0.00 1.08 -0.31 -2.53 115.11 114.50 1djm h GLN 100 Ca 0.06 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1djm h GLN 100 Cb 0.82 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1djm h GLN 100 CO 0.07 0.84 0.00 0.00 -0.95 0.00 0.00 178.83 178.79 1djm n ALA 101 N -2.44 1.70 -2.74 3.87 0.00 0.16 -4.91 120.51 116.15 1djm n ALA 101 Ca -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1djm n ALA 101 Cb 0.37 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 0.07 0.60 3.73 0.00 0.00 -0.37 -4.88 105.19 104.34 1djm n GLY 102 Ca 0.04 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.06 2.35 -0.69 4.61 0.00 -0.03 -4.91 121.76 120.04 1djm s ALA 103 Ca 0.13 1.18 0.25 0.00 0.00 0.00 0.00 51.96 53.53 1djm s ALA 103 Cb -0.06 -3.54 0.88 0.00 0.00 0.00 0.00 23.12 20.40 1djm s ALA 103 CO 0.16 -1.61 1.76 0.43 0.00 0.00 0.00 175.76 176.50 1djm n SER 104 N -1.97 0.71 -3.62 0.00 7.64 -0.14 -4.85 113.62 111.38 1djm n SER 104 Ca 0.16 0.59 0.04 0.00 1.01 0.00 0.00 58.87 60.67 1djm n SER 104 Cb 0.48 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 -3.52 -0.46 -0.04 0.23 0.00 -1.19 -4.59 107.32 97.74 1djm s GLY 105 Ca 0.09 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.68 1djm s GLY 105 CO 0.53 1.12 -0.09 -0.47 0.00 0.00 0.00 173.10 174.19 1djm s TYR 106 N -2.03 1.00 -0.02 1.90 6.14 -1.26 -1.38 117.35 121.71 1djm s TYR 106 Ca 0.17 -0.29 0.01 0.00 0.64 0.00 0.00 57.07 57.61 1djm s TYR 106 Cb 0.07 -0.75 0.01 0.00 0.42 0.00 0.00 41.96 41.70 1djm s TYR 106 CO -0.06 -0.16 -0.05 0.08 0.64 0.00 0.00 175.55 176.00 1djm s VAL 107 N 0.47 0.49 0.01 3.14 1.01 0.27 -4.96 120.40 120.82 1djm s VAL 107 Ca -0.08 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1djm s VAL 107 Cb -0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1djm s VAL 107 CO 0.01 0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.41 1djm s VAL 108 N 0.38 1.47 0.39 2.92 1.01 -1.25 -1.36 120.40 123.95 1djm s VAL 108 Ca -0.05 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 1djm s VAL 108 Cb -0.08 -1.25 -0.11 0.00 0.00 0.00 0.00 36.38 34.94 1djm s VAL 108 CO -0.00 0.32 1.12 1.17 0.00 0.00 0.00 175.10 177.71 1djm n LYS 109 N 2.35 1.63 -2.36 2.72 4.81 -0.06 -3.74 118.16 123.51 1djm n LYS 109 Ca -0.16 0.58 -0.41 0.00 -0.87 0.00 0.00 58.31 57.45 1djm n LYS 109 Cb 0.54 -2.15 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 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 -1.97 4.49 0.06 1.64 0.04 -1.26 -4.95 135.00 133.06 1djm s PRO 110 Ca 0.61 1.90 0.03 0.00 0.04 0.00 0.00 61.00 63.57 1djm s PRO 110 Cb -0.57 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1djm s PRO 110 CO 0.59 -0.07 -0.09 -0.59 0.04 0.00 0.00 177.00 176.88 1djm s PHE 111 N -0.23 0.82 0.25 0.56 -0.12 -1.25 -5.08 117.98 112.92 1djm s PHE 111 Ca 0.52 -0.58 -0.02 0.00 -0.05 0.00 0.00 56.93 56.80 1djm s PHE 111 Cb -0.33 -0.48 0.01 0.00 -0.63 0.00 0.00 43.02 41.59 1djm s PHE 111 CO 0.38 -0.07 0.36 0.25 -0.05 0.00 0.00 175.22 176.10 1djm n THR 112 N 1.09 0.00 0.08 -4.49 -2.24 -1.26 -5.02 114.28 102.43 1djm n THR 112 Ca -0.20 -1.19 0.03 0.00 -2.27 0.00 0.00 64.05 60.43 1djm n THR 112 Cb 0.56 0.76 0.43 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.87 1.64 0.00 6.98 0.00 -1.97 -0.66 119.26 127.12 1djm h ALA 113 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1djm h ALA 113 Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1djm h ALA 113 CO 0.26 0.28 0.18 0.00 0.00 0.00 0.00 179.25 179.97 1djm h ALA 114 N 1.72 1.18 0.00 0.00 0.00 -1.96 0.10 119.26 120.29 1djm h ALA 114 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1djm h ALA 114 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1djm h ALA 114 CO -0.00 -0.18 -1.45 -2.37 0.00 0.00 0.00 179.25 175.25 1djm n THR 115 N -2.96 0.28 -0.10 0.00 5.66 -0.64 -4.16 114.28 112.37 1djm n THR 115 Ca -0.02 -0.26 -0.07 0.00 -3.05 0.00 0.00 64.05 60.65 1djm n THR 115 Cb 0.23 -0.29 0.01 0.00 -1.55 0.00 0.00 70.33 68.73 1djm n THR 115 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1djm h LEU 116 N 0.00 0.16 -1.65 1.09 7.12 -0.50 -0.02 115.31 121.50 1djm h LEU 116 Ca -0.11 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 57.90 1djm h LEU 116 Cb 0.97 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 1djm h LEU 116 CO 0.01 0.13 -0.14 1.05 -0.13 0.00 0.00 178.44 179.35 1djm h GLU 117 N 0.29 0.04 0.12 1.25 4.11 -1.06 -0.57 114.58 118.76 1djm h GLU 117 Ca 0.15 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.36 1djm h GLU 117 Cb 0.11 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1djm h GLU 117 CO -0.14 0.18 -0.90 1.49 0.07 0.00 0.00 179.01 179.71 1djm h GLU 118 N 0.04 0.40 0.00 1.06 4.81 -1.54 -0.83 114.58 118.52 1djm h GLU 118 Ca 0.01 -0.59 -0.08 0.00 -0.13 0.00 0.00 59.36 58.57 1djm h GLU 118 Cb 0.28 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1djm h GLU 118 CO 0.02 1.26 -0.38 0.87 -0.73 0.00 0.00 179.01 180.05 1djm h LYS 119 N -0.17 0.00 0.17 1.92 1.79 -0.91 -1.63 116.57 117.74 1djm h LYS 119 Ca -0.15 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1djm h LYS 119 Cb 1.67 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.30 1djm h LYS 119 CO 0.17 0.38 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.67 1djm h LEU 120 N 0.00 -0.49 -0.73 2.94 3.38 -1.07 -0.67 115.31 118.67 1djm h LEU 120 Ca -0.00 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.17 1djm h LEU 120 Cb 0.96 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 1djm h LEU 120 CO 0.05 -0.27 0.21 -1.13 0.09 0.00 0.00 178.44 177.38 1djm h ASN 121 N -0.39 0.08 0.36 -0.43 -0.73 -0.87 0.13 115.58 113.73 1djm h ASN 121 Ca 0.01 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 1djm h ASN 121 Cb 0.38 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.11 1djm h ASN 121 CO -0.06 0.00 -0.38 0.11 -0.37 0.00 0.00 177.43 176.74 1djm h LYS 122 N 0.31 -0.71 0.00 6.67 6.56 -0.86 -1.94 116.57 126.60 1djm h LYS 122 Ca 0.41 0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.99 1djm h LYS 122 Cb 0.67 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1djm h LYS 122 CO -0.47 -0.47 -0.26 -0.84 -2.06 0.00 0.00 179.45 175.34 1djm h ILE 123 N -0.74 0.89 0.29 1.86 3.07 -0.36 0.24 117.51 122.77 1djm h ILE 123 Ca -0.04 -1.01 -0.00 0.00 1.55 0.00 0.00 64.86 65.35 1djm h ILE 123 Cb 0.65 1.60 -0.02 0.00 -0.27 0.00 0.00 36.82 38.77 1djm h ILE 123 CO -0.06 0.26 -0.39 -0.26 -1.05 0.00 0.00 178.15 176.65 1djm h PHE 124 N 0.00 -1.10 0.00 0.16 0.04 -0.73 -1.04 116.94 114.28 1djm h PHE 124 Ca -0.00 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.62 1djm h PHE 124 Cb 0.58 0.44 -0.02 0.00 2.20 0.00 0.00 35.95 39.14 1djm h PHE 124 CO 0.00 -0.49 -0.77 0.93 -0.60 0.00 0.00 178.31 177.38 1djm h GLU 125 N -0.71 0.00 0.00 1.51 4.39 -0.53 -1.58 114.58 117.66 1djm h GLU 125 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1djm h GLU 125 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1djm h GLU 125 CO -0.10 0.77 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.28 1djm h LYS 126 N 0.00 0.00 0.00 2.33 3.11 -0.62 -3.40 116.57 117.99 1djm h LYS 126 Ca -0.01 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1djm h LYS 126 Cb 1.39 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.61 1djm h LYS 126 CO 0.10 0.00 -0.36 -0.07 -2.81 0.00 0.00 179.45 176.30 1djm h LEU 127 N -0.05 0.00 -0.93 5.20 3.38 -1.47 -3.47 115.31 117.96 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 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1djm h LEU 127 CO 0.00 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1djm n GLY 128 N -0.22 0.81 0.00 0.83 0.00 -0.64 -5.05 105.19 100.93 1djm n GLY 128 Ca -0.01 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 45.73 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35