#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 0.00 -4.24 -5.12 0.00 -1.26 -5.19 120.51 104.70 1djm n ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1djm n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 2.79 -0.24 0.00 8.00 -1.26 -5.01 116.55 120.83 1djm n ASP 3 Ca 0.00 -2.64 -0.02 0.00 0.71 0.00 0.00 54.79 52.84 1djm n ASP 3 Cb 0.00 0.14 0.16 0.00 -0.02 0.00 0.00 41.12 41.40 1djm n ASP 3 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1djm h LYS 4 N 0.00 1.05 -6.29 -1.24 6.56 -2.03 -3.47 116.57 111.15 1djm h LYS 4 Ca -0.31 -0.14 -0.40 0.00 -1.06 0.00 0.00 60.65 58.75 1djm h LYS 4 Cb 1.00 -0.20 0.04 0.00 -0.57 0.00 0.00 32.23 32.51 1djm h LYS 4 CO 0.50 0.80 -0.84 0.39 -2.06 0.00 0.00 179.45 178.23 1djm n GLU 5 N -4.34 -1.19 -1.51 3.15 1.02 -1.26 -4.77 120.64 111.73 1djm n GLU 5 Ca 0.07 0.64 -0.44 0.00 -0.02 0.00 0.00 57.16 57.41 1djm n GLU 5 Cb 0.12 -3.77 -0.06 0.00 -0.02 0.00 0.00 31.44 27.71 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 -3.57 2.29 -4.74 -4.62 7.94 -1.26 -4.86 117.00 108.19 1djm n LEU 6 Ca -0.13 0.10 -0.40 0.00 -1.11 0.00 0.00 56.01 54.47 1djm n LEU 6 Cb 0.60 -1.39 -0.05 0.00 0.53 0.00 0.00 43.42 43.11 1djm n LEU 6 CO 0.65 -0.94 0.56 -0.75 -1.11 0.00 0.00 177.39 175.80 1djm s LYS 7 N 7.04 4.61 -0.79 1.96 2.20 -1.24 -4.70 119.74 128.82 1djm s LYS 7 Ca 1.07 1.26 -0.03 0.00 -0.36 0.00 0.00 55.97 57.90 1djm s LYS 7 Cb -0.59 -3.35 0.20 0.00 -1.51 0.00 0.00 37.83 32.58 1djm s LYS 7 CO 0.40 0.30 0.65 -0.06 -0.36 0.00 0.00 175.35 176.28 1djm s PHE 8 N -0.21 3.69 0.30 4.03 0.08 0.03 -1.40 117.98 124.51 1djm s PHE 8 Ca 0.42 -2.81 -0.29 0.00 0.12 0.00 0.00 56.93 54.36 1djm s PHE 8 Cb -0.22 -3.29 -0.10 0.00 -0.57 0.00 0.00 43.02 38.84 1djm s PHE 8 CO 0.27 -0.80 1.23 -1.17 -0.10 0.00 0.00 175.22 174.65 1djm s LEU 9 N -0.72 4.47 -0.09 -0.37 2.96 -0.32 -0.23 118.68 124.38 1djm s LEU 9 Ca 0.23 2.52 -0.01 0.00 -0.22 0.00 0.00 54.13 56.65 1djm s LEU 9 Cb -0.13 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 42.95 1djm s LEU 9 CO -0.08 -0.40 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.81 1djm s VAL 10 N -1.05 0.75 -0.51 1.68 1.01 -0.45 -0.76 120.40 121.06 1djm s VAL 10 Ca 0.48 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.41 1djm s VAL 10 Cb -0.37 -0.82 0.29 0.00 0.00 0.00 0.00 36.38 35.48 1djm s VAL 10 CO 0.48 0.32 0.73 0.52 0.00 0.00 0.00 175.10 177.15 1djm n VAL 11 N 4.95 1.23 -3.10 2.92 0.31 -0.43 -3.49 118.33 120.72 1djm n VAL 11 Ca -0.11 -4.86 -0.43 0.00 -0.01 0.00 0.00 64.34 58.93 1djm n VAL 11 Cb 0.50 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 1djm n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1djm s ASP 12 N -2.35 6.36 0.25 4.52 1.01 -1.26 -1.73 116.67 123.47 1djm s ASP 12 Ca 0.41 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.44 1djm s ASP 12 Cb 0.22 -2.33 0.49 0.00 1.01 0.00 0.00 42.92 42.32 1djm s ASP 12 CO -0.08 -0.74 1.66 -0.78 0.21 0.00 0.00 175.17 175.44 1djm h ASP 13 N 8.77 -0.10 0.03 0.27 3.58 -1.89 -0.38 116.42 126.71 1djm h ASP 13 Ca -0.26 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1djm h ASP 13 Cb 1.10 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1djm h ASP 13 CO 0.88 -0.10 0.00 0.33 -2.88 0.00 0.00 179.24 177.47 1djm n PHE 14 N -5.23 0.51 0.00 0.28 7.35 -1.26 -4.85 117.46 114.26 1djm n PHE 14 Ca 0.15 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1djm n PHE 14 Cb 0.50 -0.92 0.00 0.00 0.35 0.00 0.00 39.48 39.41 1djm n PHE 14 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1djm n SER 15 N -2.02 0.00 0.11 -2.13 2.88 -0.15 -4.27 113.62 108.04 1djm n SER 15 Ca -0.01 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.71 1djm n SER 15 Cb 0.03 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.23 1djm n SER 15 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1djm h THR 16 N 0.00 0.64 -0.45 2.46 2.02 -1.89 0.96 112.91 116.66 1djm h THR 16 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1djm h THR 16 Cb 0.00 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1djm h THR 16 CO 0.00 0.00 0.20 0.24 0.37 0.00 0.00 175.52 176.33 1djm h MET 17 N 0.00 0.39 0.00 6.66 2.86 -1.87 -1.42 114.93 121.55 1djm h MET 17 Ca 0.16 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1djm h MET 17 Cb 0.72 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 1djm h MET 17 CO -0.00 0.25 -0.14 0.07 1.06 0.00 0.00 176.91 178.15 1djm h ARG 18 N 0.40 0.00 0.18 1.72 -0.00 -1.05 0.14 114.38 115.77 1djm h ARG 18 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.17 1djm h ARG 18 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 1djm h ARG 18 CO -0.17 0.14 -0.09 0.00 -0.00 0.00 0.00 179.97 179.86 1djm h ARG 19 N 0.00 -0.23 0.24 0.08 2.47 -1.31 -1.86 114.38 113.77 1djm h ARG 19 Ca -0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1djm h ARG 19 Cb 0.61 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 1djm h ARG 19 CO 0.02 0.06 -0.50 0.82 0.56 0.00 0.00 179.97 180.93 1djm h ILE 20 N -0.52 0.00 -0.18 2.04 5.03 -0.40 -1.73 117.51 121.75 1djm h ILE 20 Ca -0.02 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.74 1djm h ILE 20 Cb 0.40 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.17 1djm h ILE 20 CO 0.04 0.00 0.03 0.58 -0.68 0.00 0.00 178.15 178.12 1djm h VAL 21 N -0.81 0.91 -0.69 1.67 2.07 -0.79 0.30 116.25 118.92 1djm h VAL 21 Ca -0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1djm h VAL 21 Cb 0.77 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1djm h VAL 21 CO -0.20 0.02 0.44 0.03 0.02 0.00 0.00 177.57 177.87 1djm h ARG 22 N 0.10 0.92 0.18 1.57 3.08 -1.33 0.07 114.38 118.98 1djm h ARG 22 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1djm h ARG 22 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1djm h ARG 22 CO -0.11 0.63 -0.17 -0.97 -1.07 0.00 0.00 179.97 178.28 1djm h ASN 23 N 0.94 -0.46 -0.92 7.04 -1.24 -0.63 -1.54 115.58 118.77 1djm h ASN 23 Ca 0.25 0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.35 1djm h ASN 23 Cb -0.07 0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.08 1djm h ASN 23 CO -0.05 -0.26 0.60 -0.07 -1.29 0.00 0.00 177.43 176.35 1djm h LEU 24 N -0.38 0.96 -0.31 0.34 3.38 -0.51 0.15 115.31 118.94 1djm h LEU 24 Ca -0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1djm h LEU 24 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1djm h LEU 24 CO -0.04 0.64 0.18 -0.07 0.09 0.00 0.00 178.44 179.23 1djm h LEU 25 N 1.10 0.29 -0.97 1.67 3.38 -0.78 -1.80 115.31 118.19 1djm h LEU 25 Ca 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 1djm h LEU 25 Cb 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1djm h LEU 25 CO -0.13 0.21 0.01 0.11 0.09 0.00 0.00 178.44 178.73 1djm h LYS 26 N 0.36 0.75 -0.89 1.13 1.79 -0.14 -0.05 116.57 119.53 1djm h LYS 26 Ca 0.12 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1djm h LYS 26 Cb 0.00 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.51 1djm h LYS 26 CO -0.06 0.76 0.58 0.93 -1.08 0.00 0.00 179.45 180.58 1djm h GLU 27 N 0.71 1.14 0.16 3.15 4.39 -0.40 -3.11 114.58 120.62 1djm h GLU 27 Ca 0.14 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1djm h GLU 27 Cb 0.42 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1djm h GLU 27 CO 0.02 0.75 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.47 1djm h LEU 28 N 1.17 -0.18 0.00 1.33 3.38 -1.07 -3.49 115.31 116.46 1djm h LEU 28 Ca 0.33 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1djm h LEU 28 Cb -0.09 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1djm h LEU 28 CO -0.09 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1djm n GLY 29 N 0.54 -0.07 3.10 0.83 0.00 -0.14 -5.11 105.19 104.34 1djm n GLY 29 Ca -0.08 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 0.67 0.19 1.61 0.08 -0.55 -4.99 117.98 114.99 1djm s PHE 30 Ca 0.00 -0.84 0.02 0.00 0.12 0.00 0.00 56.93 56.24 1djm s PHE 30 Cb 0.00 -0.42 -0.01 0.00 -0.57 0.00 0.00 43.02 42.02 1djm s PHE 30 CO 0.00 -0.21 0.20 0.27 -0.10 0.00 0.00 175.22 175.38 1djm n ASN 31 N 0.47 -0.52 -3.90 1.36 6.94 -1.26 -3.96 115.26 114.40 1djm n ASN 31 Ca -0.16 -2.15 -0.26 0.00 -0.02 0.00 0.00 54.58 51.99 1djm n ASN 31 Cb 0.59 1.09 0.00 0.00 -2.36 0.00 0.00 39.78 39.10 1djm n ASN 31 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1djm n ASN 32 N -2.13 -1.82 -4.77 0.53 5.15 -1.26 -4.44 115.26 106.51 1djm n ASN 32 Ca 0.03 -0.90 -0.31 0.00 -0.60 0.00 0.00 54.58 52.80 1djm n ASN 32 Cb 0.33 -3.49 0.10 0.00 -0.53 0.00 0.00 39.78 36.18 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1djm s VAL 33 N -3.66 3.24 0.25 3.44 -7.23 -1.26 -0.79 120.40 114.39 1djm s VAL 33 Ca 0.22 0.40 -0.05 0.00 -1.81 0.00 0.00 61.98 60.75 1djm s VAL 33 Cb -0.12 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 1djm s VAL 33 CO 0.86 -0.53 0.32 -1.61 -0.31 0.00 0.00 175.10 173.83 1djm s GLU 34 N -4.97 1.46 0.01 4.82 0.41 0.68 -4.73 118.70 116.39 1djm s GLU 34 Ca 0.61 -1.53 -0.01 0.00 -0.41 0.00 0.00 54.97 53.63 1djm s GLU 34 Cb -0.16 0.37 -0.01 0.00 -1.78 0.00 0.00 34.13 32.55 1djm s GLU 34 CO 0.56 -0.56 0.00 -2.00 -0.49 0.00 0.00 175.26 172.77 1djm s GLU 35 N -3.91 0.19 0.28 1.61 2.12 -1.26 -1.34 118.70 116.39 1djm s GLU 35 Ca 0.32 -0.32 0.11 0.00 0.36 0.00 0.00 54.97 55.44 1djm s GLU 35 Cb 0.03 0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 1djm s GLU 35 CO 0.13 -0.03 -0.19 0.00 -0.54 0.00 0.00 175.26 174.63 1djm s ALA 36 N -0.81 2.68 0.24 6.30 0.00 -1.23 -4.92 121.76 124.02 1djm s ALA 36 Ca -0.09 -1.87 -0.06 0.00 0.00 0.00 0.00 51.96 49.94 1djm s ALA 36 Cb -0.06 -0.23 0.23 0.00 0.00 0.00 0.00 23.12 23.06 1djm s ALA 36 CO -0.00 0.25 1.82 0.93 0.00 0.00 0.00 175.76 178.75 1djm h GLU 37 N 2.29 1.16 -1.70 0.00 5.08 -1.93 -3.45 114.58 116.02 1djm h GLU 37 Ca -0.40 -0.18 0.25 0.00 -1.00 0.00 0.00 59.36 58.03 1djm h GLU 37 Cb 1.26 -0.20 -0.14 0.00 0.50 0.00 0.00 28.75 30.16 1djm h GLU 37 CO 0.61 0.91 0.73 0.34 -1.00 0.00 0.00 179.01 180.59 1djm s ASP 38 N -6.35 -0.14 0.34 1.42 2.15 -1.26 -5.00 116.67 107.83 1djm s ASP 38 Ca -0.12 -0.12 0.06 0.00 0.43 0.00 0.00 52.55 52.79 1djm s ASP 38 Cb 0.16 0.24 0.72 0.00 -0.30 0.00 0.00 42.92 43.73 1djm s ASP 38 CO 0.83 -0.42 1.90 1.23 -0.17 0.00 0.00 175.17 178.54 1djm h GLY 39 N 2.00 1.20 0.99 2.66 0.00 -1.87 0.45 103.07 108.50 1djm h GLY 39 Ca -0.22 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1djm h GLY 39 CO 0.26 0.17 0.31 -2.08 0.00 0.00 0.00 176.54 175.21 1djm h VAL 40 N 0.80 1.14 0.00 4.60 2.07 -1.90 -1.47 116.25 121.49 1djm h VAL 40 Ca 0.41 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1djm h VAL 40 Cb 0.48 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1djm h VAL 40 CO -0.17 0.14 -0.37 -0.78 0.02 0.00 0.00 177.57 176.41 1djm h ASP 41 N 0.67 0.00 0.01 0.57 3.58 -1.46 -3.08 116.42 116.71 1djm h ASP 41 Ca 0.18 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1djm h ASP 41 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1djm h ASP 41 CO -0.04 0.37 -0.00 0.00 -2.88 0.00 0.00 179.24 176.69 1djm h ALA 42 N 1.63 -0.01 -0.75 -0.78 0.00 0.80 0.28 119.26 120.43 1djm h ALA 42 Ca -0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1djm h ALA 42 Cb 0.78 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1djm h ALA 42 CO 0.05 -0.51 0.39 1.25 0.00 0.00 0.00 179.25 180.43 1djm h LEU 43 N -0.01 0.52 -1.74 0.00 5.85 -1.32 0.54 115.31 119.14 1djm h LEU 43 Ca -0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1djm h LEU 43 Cb 0.01 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1djm h LEU 43 CO 0.00 0.29 -0.16 -1.13 -0.34 0.00 0.00 178.44 177.10 1djm h ASN 44 N 0.65 0.00 -0.02 1.25 -1.24 -1.21 -1.75 115.58 113.26 1djm h ASN 44 Ca 0.37 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.32 1djm h ASN 44 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1djm h ASN 44 CO -0.27 0.16 -0.24 0.11 -1.29 0.00 0.00 177.43 175.89 1djm h LYS 45 N 0.00 0.19 -0.73 6.67 1.79 0.12 -3.34 116.57 121.27 1djm h LYS 45 Ca -0.00 -0.19 0.08 0.00 -2.18 0.00 0.00 60.65 58.36 1djm h LYS 45 Cb 0.41 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 1djm h LYS 45 CO 0.02 0.89 0.48 -0.07 -1.08 0.00 0.00 179.45 179.69 1djm h LEU 46 N -0.43 0.62 0.00 2.94 3.38 -0.36 0.13 115.31 121.59 1djm h LEU 46 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1djm h LEU 46 Cb 0.96 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1djm h LEU 46 CO 0.05 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1djm n GLN 47 N -4.49 0.74 -2.12 1.13 10.64 -0.72 -3.88 117.38 118.68 1djm n GLN 47 Ca 0.11 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 55.03 1djm n GLN 47 Cb 0.28 -1.02 0.02 0.00 -0.86 0.00 0.00 30.24 28.65 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 -0.52 5.06 0.00 2.61 0.00 0.46 -5.07 120.51 123.05 1djm n ALA 48 Ca 0.01 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1djm n ALA 48 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.66 0.83 2.93 0.00 0.00 -1.25 -4.85 105.19 102.19 1djm n GLY 49 Ca 0.43 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.20 3.45 3.76 -0.02 0.00 -1.26 -4.94 105.19 105.98 1djm n GLY 50 Ca 0.00 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 4.19 2.65 0.00 1.61 1.51 -1.26 -3.69 117.35 122.36 1djm s TYR 51 Ca 0.52 1.44 0.00 0.00 -1.01 0.00 0.00 57.07 58.03 1djm s TYR 51 Cb 0.14 -3.61 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 1djm s TYR 51 CO 0.02 -2.16 0.20 0.41 -1.11 0.00 0.00 175.55 172.91 1djm n GLY 52 N 0.60 -0.22 3.28 0.71 0.00 -0.65 -4.78 105.19 104.12 1djm n GLY 52 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.03 -0.38 -0.43 1.61 2.19 -0.49 -4.39 117.98 116.05 1djm s PHE 53 Ca 0.00 0.89 0.05 0.00 0.33 0.00 0.00 56.93 58.20 1djm s PHE 53 Cb 0.00 0.14 0.18 0.00 -1.31 0.00 0.00 43.02 42.03 1djm s PHE 53 CO 0.00 -0.25 0.38 0.28 1.83 0.00 0.00 175.22 177.46 1djm n VAL 54 N 2.52 -0.93 -2.86 3.12 0.31 -0.95 -1.18 118.33 118.37 1djm n VAL 54 Ca -0.15 -3.61 -0.39 0.00 -0.01 0.00 0.00 64.34 60.18 1djm n VAL 54 Cb 0.57 -1.73 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 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 -0.23 4.24 0.09 2.52 1.01 0.06 -1.68 121.20 127.21 1djm s ILE 55 Ca 0.33 1.84 -0.15 0.00 0.00 0.00 0.00 60.65 62.66 1djm s ILE 55 Cb 0.05 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1djm s ILE 55 CO -0.18 0.39 0.37 -0.94 0.00 0.00 0.00 174.94 174.57 1djm s SER 56 N -1.33 -0.19 0.86 3.58 1.04 -0.60 -1.31 113.70 115.74 1djm s SER 56 Ca 0.42 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.46 1djm s SER 56 Cb -0.22 0.43 0.11 0.00 0.10 0.00 0.00 66.02 66.44 1djm s SER 56 CO 0.27 -0.77 1.15 -0.62 0.98 0.00 0.00 173.24 174.26 1djm s ASP 57 N -2.54 3.99 -0.13 7.02 2.15 -0.71 -0.63 116.67 125.83 1djm s ASP 57 Ca 0.00 0.89 -0.26 0.00 0.43 0.00 0.00 52.55 53.62 1djm s ASP 57 Cb 0.01 -1.44 -0.23 0.00 -0.30 0.00 0.00 42.92 40.97 1djm s ASP 57 CO -0.09 -2.24 0.72 -0.25 -0.17 0.00 0.00 175.17 173.15 1djm h TRP 58 N -1.28 -0.00 -0.63 -5.34 2.91 -1.91 -3.38 115.95 106.31 1djm h TRP 58 Ca -0.48 -0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.02 1djm h TRP 58 Cb 1.33 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.92 1djm h TRP 58 CO 0.31 0.86 1.68 -1.71 -1.03 0.00 0.00 178.44 178.55 1djm n ASN 59 N -4.65 3.97 -4.12 2.65 5.15 -1.26 -1.57 115.26 115.44 1djm n ASN 59 Ca -0.09 -2.81 -0.13 0.00 -0.60 0.00 0.00 54.58 50.95 1djm n ASN 59 Cb 0.42 -1.73 -0.11 0.00 -0.53 0.00 0.00 39.78 37.83 1djm n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1djm s MET 60 N 5.30 0.68 0.24 1.20 0.23 -1.26 -4.72 119.30 120.97 1djm s MET 60 Ca 0.61 -0.98 -0.04 0.00 -1.03 0.00 0.00 55.69 54.25 1djm s MET 60 Cb 0.02 -0.36 0.06 0.00 -1.53 0.00 0.00 34.83 33.02 1djm s MET 60 CO 0.10 0.05 0.26 -0.35 -2.03 0.00 0.00 175.02 173.05 1djm n PRO 61 N 0.93 -0.96 0.00 3.16 -0.04 -1.26 -3.85 135.00 132.98 1djm n PRO 61 Ca -0.19 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1djm n PRO 61 Cb 0.57 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1djm n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1djm n ASN 62 N -3.31 0.00 -4.42 3.54 3.02 -1.26 -3.41 115.26 109.42 1djm n ASN 62 Ca 0.03 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.14 1djm n ASN 62 Cb 0.13 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1djm s MET 63 N 0.00 3.34 0.71 3.52 1.75 -1.26 -5.06 119.30 122.29 1djm s MET 63 Ca 0.00 -1.47 -0.16 0.00 -1.25 0.00 0.00 55.69 52.80 1djm s MET 63 Cb 0.00 -4.54 -0.03 0.00 2.84 0.00 0.00 34.83 33.10 1djm s MET 63 CO 0.00 -1.69 0.66 -3.47 -0.65 0.00 0.00 175.02 169.87 1djm n ASP 64 N 6.58 -0.67 0.17 1.11 -0.08 -1.22 -4.42 116.55 118.02 1djm n ASP 64 Ca 0.08 0.63 0.12 0.00 -1.51 0.00 0.00 54.79 54.10 1djm n ASP 64 Cb 0.46 -1.27 0.65 0.00 2.34 0.00 0.00 41.12 43.30 1djm n ASP 64 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1djm h GLY 65 N -0.27 0.02 1.18 0.27 0.00 -1.47 0.40 103.07 103.21 1djm h GLY 65 Ca -0.46 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 46.66 1djm h GLY 65 CO 0.44 0.01 -0.65 -2.00 0.00 0.00 0.00 176.54 174.34 1djm h LEU 66 N 0.02 0.95 -0.69 3.11 7.12 -1.87 -1.73 115.31 122.22 1djm h LEU 66 Ca 0.08 -0.56 -0.09 0.00 0.13 0.00 0.00 57.88 57.44 1djm h LEU 66 Cb 0.30 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 1djm h LEU 66 CO -0.00 1.36 0.02 -0.33 -0.13 0.00 0.00 178.44 179.36 1djm h GLU 67 N 0.61 1.03 -0.01 1.25 4.39 -1.34 0.08 114.58 120.58 1djm h GLU 67 Ca -0.02 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.39 1djm h GLU 67 Cb 1.27 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1djm h GLU 67 CO 0.14 1.00 -0.08 1.25 -1.16 0.00 0.00 179.01 180.16 1djm h LEU 68 N 0.95 -0.23 -0.09 1.33 5.85 -0.93 0.16 115.31 122.35 1djm h LEU 68 Ca 0.17 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1djm h LEU 68 Cb 0.52 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1djm h LEU 68 CO 0.03 -0.11 -0.45 0.25 -0.34 0.00 0.00 178.44 177.81 1djm h LEU 69 N -0.13 -1.41 -1.65 2.25 5.85 -1.07 -1.78 115.31 117.38 1djm h LEU 69 Ca 0.04 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1djm h LEU 69 Cb 0.18 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1djm h LEU 69 CO -0.09 -0.45 -0.20 0.11 -0.34 0.00 0.00 178.44 177.46 1djm h LYS 70 N -0.54 0.00 0.97 1.25 1.57 -0.58 0.67 116.57 119.91 1djm h LYS 70 Ca 0.06 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1djm h LYS 70 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.97 1djm h LYS 70 CO -0.38 0.20 -0.47 1.15 -0.57 0.00 0.00 179.45 179.38 1djm h THR 71 N 0.00 0.04 -0.92 -0.16 2.02 -0.35 -3.24 112.91 110.31 1djm h THR 71 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1djm h THR 71 Cb 0.43 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1djm h THR 71 CO 0.03 0.00 0.59 0.40 0.37 0.00 0.00 175.52 176.91 1djm h ILE 72 N -1.31 1.15 0.00 3.11 2.04 -0.44 -2.92 117.51 119.14 1djm h ILE 72 Ca -0.13 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1djm h ILE 72 Cb 1.01 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1djm h ILE 72 CO 0.22 0.21 0.00 -1.14 0.00 0.00 0.00 178.15 177.44 1djm n ARG 73 N -4.51 0.11 0.00 2.37 0.00 0.14 -1.89 116.66 112.88 1djm n ARG 73 Ca 0.12 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 1djm n ARG 73 Cb 0.09 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 30.74 1djm n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1djm n ALA 74 N -1.70 0.00 -3.00 5.13 0.00 -1.10 -4.62 120.51 115.22 1djm n ALA 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1djm n ALA 74 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1djm n ALA 74 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1djm n ASP 75 N -0.41 0.00 -0.02 0.00 5.75 -1.25 -4.68 116.55 115.93 1djm n ASP 75 Ca 0.00 -0.36 -0.00 0.00 -0.01 0.00 0.00 54.79 54.41 1djm n ASP 75 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1djm n GLY 76 N 0.00 0.36 4.87 6.12 0.00 -1.26 -3.73 105.19 111.56 1djm n GLY 76 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.93 0.00 0.31 4.61 0.00 -1.26 -4.76 120.51 118.47 1djm n ALA 77 Ca -0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1djm n ALA 77 Cb 0.48 -0.09 1.02 0.00 0.00 0.00 0.00 19.45 20.87 1djm n ALA 77 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1djm h MET 78 N 0.00 0.00 -0.39 0.00 2.86 -1.79 -1.10 114.93 114.51 1djm h MET 78 Ca 0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1djm h MET 78 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1djm h MET 78 CO 0.00 0.00 0.31 0.66 1.06 0.00 0.00 176.91 178.94 1djm h SER 79 N 0.00 0.00 0.20 1.22 4.64 -1.57 -0.14 113.55 117.90 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1djm h SER 79 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1djm h SER 79 CO 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1djm n ALA 80 N -2.54 2.62 -2.02 5.18 0.00 -0.41 -4.82 120.51 118.51 1djm n ALA 80 Ca 0.06 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1djm n ALA 80 Cb 0.49 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.20 4.48 -0.96 0.00 1.43 -0.07 -4.95 118.68 116.41 1djm s LEU 81 Ca 0.41 2.16 -0.24 0.00 -1.03 0.00 0.00 54.13 55.43 1djm s LEU 81 Cb 0.21 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1djm s LEU 81 CO 0.40 -0.26 1.84 -2.16 0.23 0.00 0.00 176.35 176.39 1djm s PRO 82 N -0.46 2.80 -0.34 1.29 0.04 -1.26 -4.89 135.00 132.18 1djm s PRO 82 Ca 0.50 -0.57 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 1djm s PRO 82 Cb -0.31 -5.15 -0.01 0.00 0.04 0.00 0.00 34.50 29.07 1djm s PRO 82 CO 0.36 -3.16 1.60 0.14 0.04 0.00 0.00 177.00 175.99 1djm s VAL 83 N 8.96 3.70 -0.26 -0.36 -7.23 -1.26 -2.23 120.40 121.71 1djm s VAL 83 Ca 0.65 0.73 -0.01 0.00 -1.81 0.00 0.00 61.98 61.53 1djm s VAL 83 Cb -0.05 -3.88 0.03 0.00 0.56 0.00 0.00 36.38 33.05 1djm s VAL 83 CO -0.01 -0.52 -0.05 -0.22 -0.31 0.00 0.00 175.10 173.99 1djm s LEU 84 N 5.96 3.41 -0.29 1.32 2.96 -0.68 -1.16 118.68 130.20 1djm s LEU 84 Ca 0.71 -1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.31 1djm s LEU 84 Cb -0.19 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1djm s LEU 84 CO 0.32 -0.17 1.09 -0.04 -1.32 0.00 0.00 176.35 176.24 1djm s MET 85 N 1.29 4.11 -0.42 1.98 -1.94 -0.75 -1.56 119.30 122.00 1djm s MET 85 Ca -0.02 1.18 0.03 0.00 -1.71 0.00 0.00 55.69 55.17 1djm s MET 85 Cb -0.18 -3.73 0.11 0.00 2.01 0.00 0.00 34.83 33.05 1djm s MET 85 CO -0.04 -0.85 0.15 0.08 -0.01 0.00 0.00 175.02 174.36 1djm s VAL 86 N 3.60 2.55 0.00 -6.03 1.01 0.20 -0.52 120.40 121.21 1djm s VAL 86 Ca 0.46 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.80 1djm s VAL 86 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1djm s VAL 86 CO 0.14 -0.68 0.00 1.07 0.00 0.00 0.00 175.10 175.62 1djm n THR 87 N 3.90 0.00 -0.15 3.92 5.66 -0.03 -3.69 114.28 123.90 1djm n THR 87 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1djm n THR 87 Cb 0.39 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 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 1.85 -2.84 1.79 0.00 -1.26 -0.58 120.51 116.47 1djm n ALA 88 Ca 0.00 -0.27 -0.44 0.00 0.00 0.00 0.00 53.44 52.73 1djm n ALA 88 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.24 4.00 0.00 0.00 0.41 -1.26 -4.62 118.70 116.98 1djm s GLU 89 Ca 0.00 -2.30 0.09 0.00 -0.41 0.00 0.00 54.97 52.35 1djm s GLU 89 Cb 0.00 -5.18 0.47 0.00 -1.78 0.00 0.00 34.13 27.64 1djm s GLU 89 CO 0.00 -1.91 1.12 0.00 -0.49 0.00 0.00 175.26 173.99 1djm n ALA 90 N 6.54 1.64 -1.66 5.21 0.00 -1.26 -4.69 120.51 126.29 1djm n ALA 90 Ca 0.38 -0.05 -0.57 0.00 0.00 0.00 0.00 53.44 53.21 1djm n ALA 90 Cb 0.45 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.22 0.97 -0.00 0.00 4.81 -1.26 -4.81 118.16 116.64 1djm n LYS 91 Ca 0.05 0.35 -0.09 0.00 -0.87 0.00 0.00 58.31 57.75 1djm n LYS 91 Cb 0.06 -1.99 -0.03 0.00 0.02 0.00 0.00 35.03 33.09 1djm n LYS 91 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1djm h LYS 92 N 5.89 -0.27 -0.01 1.64 5.09 -2.00 0.59 116.57 127.50 1djm h LYS 92 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.29 1djm h LYS 92 Cb 1.34 0.06 -0.00 0.00 0.10 0.00 0.00 32.23 33.73 1djm h LYS 92 CO 0.88 -0.18 0.01 0.93 -2.09 0.00 0.00 179.45 179.00 1djm h GLU 93 N -0.28 0.00 -0.23 0.07 5.08 -1.98 0.20 114.58 117.45 1djm h GLU 93 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1djm h GLU 93 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1djm h GLU 93 CO -0.30 0.00 0.01 -0.97 -1.00 0.00 0.00 179.01 176.75 1djm h ASN 94 N 0.00 0.38 -0.39 1.42 -1.24 -1.25 0.53 115.58 115.03 1djm h ASN 94 Ca 0.01 -0.29 0.03 0.00 0.71 0.00 0.00 56.30 56.75 1djm h ASN 94 Cb 0.03 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 1djm h ASN 94 CO -0.00 0.58 0.19 0.40 -1.29 0.00 0.00 177.43 177.31 1djm h ILE 95 N 0.17 0.97 0.14 2.57 5.03 -0.14 -1.45 117.51 124.80 1djm h ILE 95 Ca 0.07 -0.13 0.01 0.00 -0.12 0.00 0.00 64.86 64.68 1djm h ILE 95 Cb 0.38 0.54 -0.03 0.00 -3.03 0.00 0.00 36.82 34.69 1djm h ILE 95 CO 0.01 0.07 -0.22 0.40 -0.68 0.00 0.00 178.15 177.73 1djm h ILE 96 N 0.39 0.51 -0.69 -0.67 5.03 -0.92 -1.30 117.51 119.86 1djm h ILE 96 Ca 0.17 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 65.00 1djm h ILE 96 Cb 0.08 0.51 -0.07 0.00 -3.03 0.00 0.00 36.82 34.32 1djm h ILE 96 CO -0.12 0.00 0.34 0.00 -0.68 0.00 0.00 178.15 177.69 1djm h ALA 97 N 0.34 0.94 -0.39 1.87 0.00 -0.64 0.28 119.26 121.66 1djm h ALA 97 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1djm h ALA 97 Cb 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1djm h ALA 97 CO -0.11 -0.06 0.23 0.00 0.00 0.00 0.00 179.25 179.32 1djm h ALA 98 N 1.42 0.48 -0.43 0.00 0.00 -0.94 0.23 119.26 120.03 1djm h ALA 98 Ca 0.34 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1djm h ALA 98 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1djm h ALA 98 CO -0.26 -0.11 -0.20 0.00 0.00 0.00 0.00 179.25 178.67 1djm h ALA 99 N 1.17 0.60 -0.44 0.00 0.00 -0.08 0.41 119.26 120.92 1djm h ALA 99 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1djm h ALA 99 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1djm h ALA 99 CO -0.07 0.57 0.21 1.96 0.00 0.00 0.00 179.25 181.92 1djm h GLN 100 N 0.72 0.40 -0.21 0.00 1.08 -0.37 -2.07 115.11 114.66 1djm h GLN 100 Ca 0.10 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1djm h GLN 100 Cb 0.77 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1djm h GLN 100 CO 0.06 0.27 -0.30 0.00 -0.95 0.00 0.00 178.83 177.91 1djm h ALA 101 N 1.25 1.09 -0.19 3.87 0.00 -0.79 -3.48 119.26 121.01 1djm h ALA 101 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1djm h ALA 101 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1djm h ALA 101 CO -0.15 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1djm n GLY 102 N -0.32 1.04 3.76 0.00 0.00 -0.11 -4.94 105.19 104.63 1djm n GLY 102 Ca -0.01 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.55 1.93 0.30 4.61 0.00 -0.06 -4.89 120.51 121.86 1djm n ALA 103 Ca 0.00 0.22 0.19 0.00 0.00 0.00 0.00 53.44 53.85 1djm n ALA 103 Cb 0.10 -2.38 0.86 0.00 0.00 0.00 0.00 19.45 18.03 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 2.11 0.00 -6.00 0.00 4.64 -1.48 -3.46 113.55 109.36 1djm h SER 104 Ca -0.51 0.00 0.40 0.00 -0.47 0.00 0.00 61.79 61.21 1djm h SER 104 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 1djm h SER 104 CO 0.60 0.00 1.00 -0.83 -0.87 0.00 0.00 176.83 176.73 1djm s GLY 105 N -4.14 -0.51 -0.02 -0.77 0.00 -1.25 -4.72 107.32 95.91 1djm s GLY 105 Ca -0.01 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1djm s GLY 105 CO 0.49 0.20 0.01 -0.47 0.00 0.00 0.00 173.10 173.34 1djm s TYR 106 N -2.01 0.16 -0.03 1.90 5.04 -1.26 -1.82 117.35 119.34 1djm s TYR 106 Ca 0.15 0.06 0.05 0.00 -2.44 0.00 0.00 57.07 54.89 1djm s TYR 106 Cb 0.08 -0.30 -0.01 0.00 0.35 0.00 0.00 41.96 42.09 1djm s TYR 106 CO -0.07 -0.10 -0.16 0.08 -1.34 0.00 0.00 175.55 173.96 1djm s VAL 107 N 0.95 1.32 -0.10 3.14 1.01 0.32 -4.99 120.40 122.06 1djm s VAL 107 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1djm s VAL 107 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1djm s VAL 107 CO -0.02 0.38 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 1djm s VAL 108 N -0.16 1.23 0.47 2.92 1.01 -1.25 -0.85 120.40 123.77 1djm s VAL 108 Ca 0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 1djm s VAL 108 Cb -0.09 -1.16 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 1djm s VAL 108 CO 0.01 0.39 0.83 0.29 0.00 0.00 0.00 175.10 176.62 1djm n LYS 109 N 4.43 0.98 -1.26 2.72 5.02 0.25 -4.51 118.16 125.80 1djm n LYS 109 Ca -0.18 0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 1djm n LYS 109 Cb 0.51 -1.89 0.16 0.00 -0.02 0.00 0.00 35.03 33.78 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1djm s PRO 110 N -2.05 0.83 -0.27 1.97 0.04 -1.26 -4.89 135.00 129.37 1djm s PRO 110 Ca 0.66 0.56 -0.31 0.00 0.04 0.00 0.00 61.00 61.95 1djm s PRO 110 Cb -0.53 -1.78 0.18 0.00 0.04 0.00 0.00 34.50 32.41 1djm s PRO 110 CO 0.55 -2.47 1.32 -0.59 0.04 0.00 0.00 177.00 175.86 1djm s PHE 111 N -3.02 -0.06 0.27 0.56 -0.12 -1.26 -5.11 117.98 109.24 1djm s PHE 111 Ca 0.64 0.10 -0.01 0.00 -0.05 0.00 0.00 56.93 57.61 1djm s PHE 111 Cb -0.18 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1djm s PHE 111 CO 0.57 -0.07 0.38 0.25 -0.05 0.00 0.00 175.22 176.30 1djm n THR 112 N 0.40 0.00 0.13 -4.49 -2.24 -1.26 -5.02 114.28 101.80 1djm n THR 112 Ca 0.00 -1.41 0.19 0.00 -2.27 0.00 0.00 64.05 60.56 1djm n THR 112 Cb 0.58 0.86 0.77 0.00 -2.10 0.00 0.00 70.33 70.44 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 1.90 2.05 -0.18 6.98 0.00 -1.97 -1.16 119.26 126.88 1djm h ALA 113 Ca -0.21 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1djm h ALA 113 Cb 0.93 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1djm h ALA 113 CO 0.29 -0.48 -0.22 0.00 0.00 0.00 0.00 179.25 178.83 1djm h ALA 114 N 1.67 -0.15 -0.02 0.00 0.00 -1.97 0.64 119.26 119.44 1djm h ALA 114 Ca 0.15 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1djm h ALA 114 Cb 0.78 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1djm h ALA 114 CO -0.00 -0.67 -0.84 0.00 0.00 0.00 0.00 179.25 177.74 1djm h THR 115 N -0.26 1.45 0.03 0.00 1.03 -1.65 -2.98 112.91 110.53 1djm h THR 115 Ca 0.12 -2.45 0.02 0.00 -0.01 0.00 0.00 66.41 64.09 1djm h THR 115 Cb 0.44 2.36 -0.03 0.00 -1.07 0.00 0.00 68.15 69.85 1djm h THR 115 CO -0.33 0.72 -0.14 0.25 -0.01 0.00 0.00 175.52 176.01 1djm h LEU 116 N 0.17 -0.39 -1.66 0.00 7.12 -0.79 0.23 115.31 119.98 1djm h LEU 116 Ca -0.05 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 1djm h LEU 116 Cb 1.45 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.74 1djm h LEU 116 CO 0.13 -0.20 -0.19 1.05 -0.13 0.00 0.00 178.44 179.11 1djm h GLU 117 N -0.24 0.00 0.11 1.25 4.11 -0.98 -1.23 114.58 117.59 1djm h GLU 117 Ca 0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.28 1djm h GLU 117 Cb 0.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.56 1djm h GLU 117 CO -0.12 0.19 -0.81 1.49 0.07 0.00 0.00 179.01 179.83 1djm h GLU 118 N 0.00 0.36 -0.03 1.06 4.57 -1.11 -0.56 114.58 118.88 1djm h GLU 118 Ca -0.00 -0.53 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1djm h GLU 118 Cb 0.38 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1djm h GLU 118 CO 0.03 1.22 -0.28 0.87 -1.18 0.00 0.00 179.01 179.67 1djm h LYS 119 N -0.23 0.05 0.21 1.92 1.79 -0.51 -0.81 116.57 119.00 1djm h LYS 119 Ca -0.13 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1djm h LYS 119 Cb 1.59 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.23 1djm h LYS 119 CO 0.15 0.33 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.63 1djm h LEU 120 N 0.05 -0.39 -0.50 2.94 3.38 -1.20 -1.67 115.31 117.91 1djm h LEU 120 Ca 0.01 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1djm h LEU 120 Cb 0.52 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 1djm h LEU 120 CO 0.04 -0.24 0.00 -1.13 0.09 0.00 0.00 178.44 177.20 1djm h ASN 121 N -0.37 -0.21 -0.19 -0.43 -0.73 -0.32 0.15 115.58 113.48 1djm h ASN 121 Ca -0.01 0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.32 1djm h ASN 121 Cb 0.32 0.21 -0.05 0.00 0.27 0.00 0.00 38.32 39.08 1djm h ASN 121 CO -0.00 -0.07 -0.11 0.11 -0.37 0.00 0.00 177.43 176.99 1djm h LYS 122 N 0.12 -0.10 -0.00 6.67 1.57 -1.02 -0.16 116.57 123.65 1djm h LYS 122 Ca 0.25 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.88 1djm h LYS 122 Cb 0.38 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1djm h LYS 122 CO -0.42 -0.07 -0.75 -0.84 -0.57 0.00 0.00 179.45 176.81 1djm h ILE 123 N -0.10 1.53 -0.28 1.86 3.07 -0.48 0.18 117.51 123.29 1djm h ILE 123 Ca 0.11 -2.54 0.03 0.00 1.55 0.00 0.00 64.86 64.00 1djm h ILE 123 Cb 0.26 2.37 -0.03 0.00 -0.27 0.00 0.00 36.82 39.16 1djm h ILE 123 CO -0.25 0.73 0.11 -0.26 -1.05 0.00 0.00 178.15 177.42 1djm h PHE 124 N 0.01 0.20 0.00 0.16 0.04 -0.44 -1.22 116.94 115.69 1djm h PHE 124 Ca -0.01 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 1djm h PHE 124 Cb 1.32 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 1djm h PHE 124 CO 0.00 0.10 -1.35 0.39 -0.60 0.00 0.00 178.31 176.86 1djm n GLU 125 N -5.01 0.62 -0.01 1.51 -0.58 -0.10 -2.40 120.64 114.67 1djm n GLU 125 Ca -0.01 0.17 -0.01 0.00 -0.42 0.00 0.00 57.16 56.90 1djm n GLU 125 Cb 0.09 -1.80 -0.00 0.00 -0.57 0.00 0.00 31.44 29.16 1djm n GLU 125 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1djm n LYS 126 N -2.80 0.06 0.22 3.49 0.00 0.62 -4.49 118.16 115.27 1djm n LYS 126 Ca -0.07 0.27 0.08 0.00 0.00 0.00 0.00 58.31 58.59 1djm n LYS 126 Cb 0.75 -0.86 0.53 0.00 0.00 0.00 0.00 35.03 35.45 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 -0.13 0.00 -0.94 3.14 3.38 -1.42 -3.47 115.31 115.87 1djm h LEU 127 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1djm h LEU 127 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1djm h LEU 127 CO 0.00 0.24 -0.02 0.61 0.09 0.00 0.00 178.44 179.36 1djm n GLY 128 N -0.43 0.89 0.00 0.83 0.00 -0.90 -5.03 105.19 100.55 1djm n GLY 128 Ca -0.01 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.37 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35