#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm s ALA 2 N 0.00 0.88 0.09 3.17 0.00 -1.26 -5.09 121.76 119.55 1djm s ALA 2 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1djm s ALA 2 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1djm s ALA 2 CO 0.00 -0.17 0.00 -0.25 0.00 0.00 0.00 175.76 175.34 1djm n ASP 3 N 0.39 -6.27 -0.15 0.00 8.00 -1.26 -3.97 116.55 113.29 1djm n ASP 3 Ca -0.15 0.42 0.14 0.00 0.71 0.00 0.00 54.79 55.91 1djm n ASP 3 Cb 0.59 -1.18 0.62 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.47 0.84 -4.21 -1.24 4.76 -1.26 -4.93 118.16 109.65 1djm n LYS 4 Ca 0.00 -0.31 -0.35 0.00 -2.87 0.00 0.00 58.31 54.79 1djm n LYS 4 Cb 0.18 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.84 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 -0.81 -2.81 -1.66 1.97 1.02 -1.25 -4.83 120.64 112.26 1djm n GLU 5 Ca 0.16 0.34 -0.43 0.00 -0.02 0.00 0.00 57.16 57.20 1djm n GLU 5 Cb 0.27 -4.85 -0.03 0.00 -0.02 0.00 0.00 31.44 26.81 1djm n GLU 5 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1djm n LEU 6 N -4.37 4.03 -4.89 -4.62 0.00 -1.26 -4.87 117.00 101.02 1djm n LEU 6 Ca -0.02 0.87 -0.30 0.00 0.00 0.00 0.00 56.01 56.56 1djm n LEU 6 Cb 0.54 -1.51 -0.04 0.00 0.00 0.00 0.00 43.42 42.41 1djm n LEU 6 CO 0.85 0.13 0.23 -0.54 0.00 0.00 0.00 177.39 178.06 1djm s LYS 7 N 4.53 3.71 0.20 1.96 1.02 0.20 -4.72 119.74 126.63 1djm s LYS 7 Ca 0.90 0.16 0.06 0.00 0.02 0.00 0.00 55.97 57.11 1djm s LYS 7 Cb -0.46 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1djm s LYS 7 CO 0.43 0.23 0.10 -0.06 -0.92 0.00 0.00 175.35 175.13 1djm s PHE 8 N -2.01 3.02 0.02 3.18 0.40 -1.26 -0.93 117.98 120.40 1djm s PHE 8 Ca 0.46 -0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.79 1djm s PHE 8 Cb -0.11 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1djm s PHE 8 CO 0.27 0.53 -0.25 -1.17 0.70 0.00 0.00 175.22 175.30 1djm s LEU 9 N -3.28 2.21 -0.35 -0.37 2.96 -0.73 -0.46 118.68 118.65 1djm s LEU 9 Ca 0.30 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1djm s LEU 9 Cb -0.09 -1.34 0.13 0.00 0.50 0.00 0.00 46.19 45.39 1djm s LEU 9 CO 0.22 0.28 0.19 -0.69 -1.32 0.00 0.00 176.35 175.02 1djm s VAL 10 N -0.77 0.39 -0.71 1.68 1.01 0.25 -0.75 120.40 121.50 1djm s VAL 10 Ca 0.12 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.51 1djm s VAL 10 Cb -0.10 -1.29 0.35 0.00 0.00 0.00 0.00 36.38 35.33 1djm s VAL 10 CO 0.02 -0.88 1.35 0.52 0.00 0.00 0.00 175.10 176.10 1djm n VAL 11 N 4.31 3.89 -2.61 2.92 0.31 -0.14 -3.92 118.33 123.09 1djm n VAL 11 Ca 0.06 -5.45 -0.42 0.00 -0.01 0.00 0.00 64.34 58.52 1djm n VAL 11 Cb 0.38 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.61 7.30 0.06 4.52 1.11 -1.26 -1.53 116.67 124.25 1djm s ASP 12 Ca 0.46 1.83 -0.31 0.00 0.18 0.00 0.00 52.55 54.71 1djm s ASP 12 Cb 0.29 -2.58 -0.18 0.00 1.07 0.00 0.00 42.92 41.52 1djm s ASP 12 CO -0.18 -0.28 1.52 -0.78 1.18 0.00 0.00 175.17 176.63 1djm h ASP 13 N 6.41 -0.71 -2.77 0.27 3.58 -1.92 -3.39 116.42 117.90 1djm h ASP 13 Ca -0.42 -0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.46 1djm h ASP 13 Cb 1.22 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.42 1djm h ASP 13 CO 0.76 -0.45 1.14 0.12 -2.88 0.00 0.00 179.24 177.93 1djm s PHE 14 N -5.71 2.08 0.14 0.28 5.36 -1.26 -4.89 117.98 113.97 1djm s PHE 14 Ca -0.17 0.55 -0.18 0.00 -0.96 0.00 0.00 56.93 56.17 1djm s PHE 14 Cb 0.03 -4.00 0.01 0.00 -0.34 0.00 0.00 43.02 38.72 1djm s PHE 14 CO 0.59 -2.93 1.73 0.77 -1.46 0.00 0.00 175.22 173.92 1djm h SER 15 N 10.92 -0.04 -0.12 6.13 0.02 -2.02 0.14 113.55 128.57 1djm h SER 15 Ca -0.34 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1djm h SER 15 Cb 1.15 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1djm h SER 15 CO 1.01 0.02 0.10 0.74 -1.14 0.00 0.00 176.83 177.55 1djm h THR 16 N 0.12 0.78 -0.48 -2.27 2.02 -1.93 -0.05 112.91 111.11 1djm h THR 16 Ca 0.13 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 1djm h THR 16 Cb 0.15 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1djm h THR 16 CO -0.19 0.00 0.08 -0.03 0.37 0.00 0.00 175.52 175.76 1djm h MET 17 N 0.00 0.74 -0.56 6.66 -1.53 -1.10 0.02 114.93 119.16 1djm h MET 17 Ca 0.06 -0.15 -0.06 0.00 -3.44 0.00 0.00 59.70 56.11 1djm h MET 17 Cb 0.26 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.18 1djm h MET 17 CO -0.00 0.69 0.13 -0.09 0.14 0.00 0.00 176.91 177.78 1djm h ARG 18 N 0.71 0.90 -0.82 0.39 2.43 -0.84 0.14 114.38 117.28 1djm h ARG 18 Ca 0.15 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1djm h ARG 18 Cb 0.31 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1djm h ARG 18 CO 0.00 0.84 0.54 0.00 -1.51 0.00 0.00 179.97 179.85 1djm h ARG 19 N 0.80 0.99 0.47 0.20 -0.00 -1.01 0.17 114.38 116.00 1djm h ARG 19 Ca 0.18 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 1djm h ARG 19 Cb 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.10 1djm h ARG 19 CO 0.00 0.66 -0.22 0.82 0.00 0.00 0.00 179.97 181.23 1djm h ILE 20 N 1.02 0.00 -0.50 2.04 5.03 -0.47 -1.50 117.51 123.13 1djm h ILE 20 Ca 0.32 -0.01 0.10 0.00 -0.12 0.00 0.00 64.86 65.15 1djm h ILE 20 Cb 0.02 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.71 1djm h ILE 20 CO -0.09 0.00 -0.24 0.58 -0.68 0.00 0.00 178.15 177.72 1djm h VAL 21 N -0.64 0.32 -0.38 1.67 2.07 -0.19 0.18 116.25 119.28 1djm h VAL 21 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1djm h VAL 21 Cb 0.48 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1djm h VAL 21 CO 0.11 0.00 0.13 -0.09 0.02 0.00 0.00 177.57 177.74 1djm h ARG 22 N -0.12 0.28 -0.14 1.57 1.12 -0.77 -0.11 114.38 116.20 1djm h ARG 22 Ca 0.23 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.10 1djm h ARG 22 Cb 0.48 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.36 1djm h ARG 22 CO -0.57 0.18 0.02 -0.97 -3.11 0.00 0.00 179.97 175.52 1djm h ASN 23 N 0.28 -0.00 -0.92 -3.80 -1.24 0.21 -0.76 115.58 109.35 1djm h ASN 23 Ca 0.17 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.22 1djm h ASN 23 Cb 0.16 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.19 1djm h ASN 23 CO -0.18 0.02 0.61 -0.07 -1.29 0.00 0.00 177.43 176.52 1djm h LEU 24 N 0.08 1.05 -0.09 0.34 3.38 -0.25 0.27 115.31 120.08 1djm h LEU 24 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1djm h LEU 24 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1djm h LEU 24 CO -0.09 0.75 0.01 -0.07 0.09 0.00 0.00 178.44 179.13 1djm h LEU 25 N 1.23 0.15 -1.51 1.67 3.38 -0.87 -2.57 115.31 116.79 1djm h LEU 25 Ca 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1djm h LEU 25 Cb -0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1djm h LEU 25 CO -0.08 0.39 -0.25 0.11 0.09 0.00 0.00 178.44 178.70 1djm h LYS 26 N -0.09 0.00 -0.45 1.13 1.57 -0.44 -0.56 116.57 117.73 1djm h LYS 26 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1djm h LYS 26 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1djm h LYS 26 CO 0.00 0.25 0.26 0.93 -0.57 0.00 0.00 179.45 180.32 1djm h GLU 27 N 0.00 0.61 0.00 3.15 4.39 -0.38 -2.42 114.58 119.94 1djm h GLU 27 Ca -0.00 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1djm h GLU 27 Cb 0.49 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1djm h GLU 27 CO 0.03 0.47 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.87 1djm h LEU 28 N 0.59 0.00 0.00 1.33 3.38 -1.00 -3.47 115.31 116.14 1djm h LEU 28 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1djm h LEU 28 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1djm h LEU 28 CO -0.03 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.52 1djm n GLY 29 N 0.00 0.30 3.68 0.83 0.00 -0.37 -5.11 105.19 104.51 1djm n GLY 29 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.24 2.07 0.31 1.61 0.40 -0.36 -4.90 117.98 115.86 1djm s PHE 30 Ca 0.00 0.94 0.04 0.00 -0.60 0.00 0.00 56.93 57.31 1djm s PHE 30 Cb 0.00 -3.29 -0.01 0.00 0.51 0.00 0.00 43.02 40.23 1djm s PHE 30 CO 0.00 -2.94 0.32 0.27 0.70 0.00 0.00 175.22 173.57 1djm n ASN 31 N -4.20 -0.85 0.00 1.36 0.23 -1.26 -4.06 115.26 106.48 1djm n ASN 31 Ca 0.05 -2.89 0.00 0.00 -0.53 0.00 0.00 54.58 51.21 1djm n ASN 31 Cb 0.58 1.80 0.00 0.00 -2.08 0.00 0.00 39.78 40.07 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 -1.76 0.00 -3.68 0.53 3.02 -1.26 -4.41 115.26 107.69 1djm n ASN 32 Ca 0.05 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.35 1djm n ASN 32 Cb 0.54 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.72 1djm n ASN 32 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1djm n VAL 33 N 0.00 -2.03 -0.86 2.41 0.24 -1.25 -4.82 118.33 112.02 1djm n VAL 33 Ca 0.00 -0.19 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 1djm n VAL 33 Cb 0.00 -1.77 0.12 0.00 -1.47 0.00 0.00 33.84 30.72 1djm n VAL 33 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1djm n GLU 34 N -2.85 -1.86 -3.99 7.34 -0.58 0.39 -4.81 120.64 114.28 1djm n GLU 34 Ca -0.16 -0.88 -0.09 0.00 -0.42 0.00 0.00 57.16 55.61 1djm n GLU 34 Cb 0.44 -0.78 -0.05 0.00 -0.57 0.00 0.00 31.44 30.47 1djm n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1djm s GLU 35 N -4.25 1.52 0.17 3.49 -1.05 -1.26 -0.59 118.70 116.74 1djm s GLU 35 Ca 0.35 -1.24 -0.07 0.00 -0.15 0.00 0.00 54.97 53.86 1djm s GLU 35 Cb -0.03 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 1djm s GLU 35 CO 0.27 -0.63 0.25 0.00 0.95 0.00 0.00 175.26 176.10 1djm s ALA 36 N -4.01 0.25 0.25 -0.84 0.00 -1.25 -4.82 121.76 111.34 1djm s ALA 36 Ca 0.22 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1djm s ALA 36 Cb -0.00 0.95 0.32 0.00 0.00 0.00 0.00 23.12 24.39 1djm s ALA 36 CO 0.08 -0.64 1.69 0.93 0.00 0.00 0.00 175.76 177.82 1djm h GLU 37 N 2.57 0.62 -2.09 0.00 4.39 -1.95 -3.44 114.58 114.68 1djm h GLU 37 Ca -0.32 -0.23 0.27 0.00 0.34 0.00 0.00 59.36 59.42 1djm h GLU 37 Cb 1.23 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.77 1djm h GLU 37 CO 0.49 0.79 0.76 0.16 -1.16 0.00 0.00 179.01 180.05 1djm s ASP 38 N -6.77 -0.03 0.38 1.42 -4.77 -1.26 -5.02 116.67 100.62 1djm s ASP 38 Ca -0.08 -0.34 0.10 0.00 -3.30 0.00 0.00 52.55 48.94 1djm s ASP 38 Cb 0.14 0.28 0.87 0.00 -1.09 0.00 0.00 42.92 43.12 1djm s ASP 38 CO 0.81 -0.54 1.90 1.23 0.70 0.00 0.00 175.17 179.26 1djm h GLY 39 N 2.00 1.03 0.91 2.12 0.00 -1.90 0.22 103.07 107.45 1djm h GLY 39 Ca -0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1djm h GLY 39 CO 0.31 0.10 -0.08 -2.08 0.00 0.00 0.00 176.54 174.80 1djm h VAL 40 N 0.62 0.89 -0.47 4.60 2.07 -1.91 -1.71 116.25 120.34 1djm h VAL 40 Ca 0.41 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1djm h VAL 40 Cb 0.69 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1djm h VAL 40 CO -0.17 0.05 0.21 -0.78 0.02 0.00 0.00 177.57 176.90 1djm h ASP 41 N -0.31 0.60 -0.36 0.57 3.58 -1.85 -2.67 116.42 115.97 1djm h ASP 41 Ca -0.02 -0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.41 1djm h ASP 41 Cb 0.24 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 1djm h ASP 41 CO 0.04 0.53 0.12 0.00 -2.88 0.00 0.00 179.24 177.04 1djm h ALA 42 N 1.56 0.42 -0.76 -0.78 0.00 -0.17 -1.66 119.26 117.87 1djm h ALA 42 Ca 0.16 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1djm h ALA 42 Cb 0.11 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1djm h ALA 42 CO -0.02 -0.28 0.45 1.25 0.00 0.00 0.00 179.25 180.65 1djm h LEU 43 N 0.27 0.68 -0.37 0.00 5.85 -0.96 -0.72 115.31 120.06 1djm h LEU 43 Ca 0.17 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1djm h LEU 43 Cb 0.15 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1djm h LEU 43 CO -0.18 0.43 0.19 -1.13 -0.34 0.00 0.00 178.44 177.42 1djm h ASN 44 N 0.82 0.30 -0.55 1.25 -0.73 -1.34 -1.64 115.58 113.69 1djm h ASN 44 Ca 0.34 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.59 1djm h ASN 44 Cb 0.20 -0.05 -0.06 0.00 0.27 0.00 0.00 38.32 38.68 1djm h ASN 44 CO -0.18 0.22 0.25 0.11 -0.37 0.00 0.00 177.43 177.45 1djm h LYS 45 N 0.40 0.45 -0.90 6.67 6.56 -0.33 -1.62 116.57 127.80 1djm h LYS 45 Ca 0.15 -0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.78 1djm h LYS 45 Cb 0.04 -0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 31.54 1djm h LYS 45 CO -0.09 0.30 0.59 -0.07 -2.06 0.00 0.00 179.45 178.11 1djm h LEU 46 N 0.46 0.90 -1.72 2.94 3.38 -0.63 -0.02 115.31 120.62 1djm h LEU 46 Ca 0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1djm h LEU 46 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1djm h LEU 46 CO -0.22 0.57 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1djm n GLN 47 N -4.49 0.62 0.00 1.13 6.02 -0.61 -1.22 117.38 118.82 1djm n GLN 47 Ca 0.14 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.20 1djm n GLN 47 Cb 0.20 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 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 0.55 3.66 -0.95 -1.58 0.00 -0.02 -5.02 120.51 117.15 1djm n ALA 48 Ca 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.13 1djm n ALA 48 Cb 0.27 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 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 1.27 -2.44 3.57 0.00 0.00 -0.36 -4.88 105.19 102.36 1djm n GLY 49 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.68 0.72 3.61 -0.02 0.00 -1.26 -4.87 105.19 99.68 1djm n GLY 50 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.46 1.74 -1.06 1.61 1.51 -1.26 -0.63 117.35 116.80 1djm s TYR 51 Ca 0.00 0.51 0.26 0.00 -1.01 0.00 0.00 57.07 56.83 1djm s TYR 51 Cb 0.00 -4.06 0.71 0.00 -0.11 0.00 0.00 41.96 38.50 1djm s TYR 51 CO 0.00 -3.34 1.55 0.41 -1.11 0.00 0.00 175.55 173.07 1djm n GLY 52 N 5.21 -1.26 3.41 0.71 0.00 -0.11 -4.88 105.19 108.26 1djm n GLY 52 Ca 0.23 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 -0.50 -0.17 1.61 2.19 -1.19 -4.37 117.98 112.60 1djm s PHE 53 Ca 0.13 1.06 -0.03 0.00 0.33 0.00 0.00 56.93 58.41 1djm s PHE 53 Cb 0.18 0.23 0.06 0.00 -1.31 0.00 0.00 43.02 42.17 1djm s PHE 53 CO 0.65 -0.39 0.05 0.08 1.83 0.00 0.00 175.22 177.44 1djm s VAL 54 N -0.50 0.26 -0.08 3.12 1.01 -0.78 -1.78 120.40 121.65 1djm s VAL 54 Ca -0.06 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1djm s VAL 54 Cb -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1djm s VAL 54 CO 0.04 -0.17 -0.14 -0.63 0.00 0.00 0.00 175.10 174.19 1djm s ILE 55 N 1.98 3.02 0.12 2.22 1.01 0.08 -0.72 121.20 128.91 1djm s ILE 55 Ca 0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 1djm s ILE 55 Cb -0.16 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1djm s ILE 55 CO -0.08 0.57 0.21 -0.94 0.00 0.00 0.00 174.94 174.70 1djm s SER 56 N -0.32 0.11 0.77 3.58 1.04 -0.70 -0.96 113.70 117.22 1djm s SER 56 Ca 0.03 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1djm s SER 56 Cb -0.13 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1djm s SER 56 CO 0.02 -0.79 0.00 -0.67 0.98 0.00 0.00 173.24 172.78 1djm n ASP 57 N -0.12 -0.31 -0.03 7.02 2.03 -0.58 -0.38 116.55 124.18 1djm n ASP 57 Ca -0.11 -0.62 -0.07 0.00 0.52 0.00 0.00 54.79 54.51 1djm n ASP 57 Cb 0.63 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.00 1djm n ASP 57 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1djm n TRP 58 N -1.75 0.00 -1.92 -0.67 -0.00 -1.26 -4.41 117.44 107.43 1djm n TRP 58 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 1djm n TRP 58 Cb 0.00 -0.26 -0.06 0.00 -0.00 0.00 0.00 31.31 30.99 1djm n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1djm s ASN 59 N -5.81 4.71 0.03 5.87 0.01 -1.26 -1.18 114.94 117.30 1djm s ASN 59 Ca -0.11 -0.82 -0.05 0.00 -0.71 0.00 0.00 52.86 51.17 1djm s ASN 59 Cb 0.04 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1djm s ASN 59 CO 0.14 -3.25 0.07 -0.04 -1.51 0.00 0.00 177.10 172.52 1djm s MET 60 N 7.36 0.51 0.97 -0.60 -1.94 -1.26 -4.94 119.30 119.40 1djm s MET 60 Ca 0.75 -0.68 -0.16 0.00 -1.71 0.00 0.00 55.69 53.89 1djm s MET 60 Cb -0.06 0.20 0.23 0.00 2.01 0.00 0.00 34.83 37.20 1djm s MET 60 CO 0.06 -0.12 1.21 -0.35 -0.01 0.00 0.00 175.02 175.81 1djm n PRO 61 N 1.04 -1.58 0.00 2.03 -0.04 -1.26 -3.68 135.00 131.51 1djm n PRO 61 Ca -0.21 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1djm n PRO 61 Cb 0.57 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -4.00 0.00 -4.44 3.54 3.02 -1.26 -3.11 115.26 109.01 1djm n ASN 62 Ca 0.15 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.26 1djm n ASN 62 Cb 0.55 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 4.08 0.58 3.52 1.75 -1.26 -5.00 119.30 122.97 1djm s MET 63 Ca 0.00 -2.65 -0.18 0.00 -1.25 0.00 0.00 55.69 51.61 1djm s MET 63 Cb 0.00 -4.97 -0.07 0.00 2.84 0.00 0.00 34.83 32.63 1djm s MET 63 CO 0.00 -1.68 0.73 -3.47 -0.65 0.00 0.00 175.02 169.95 1djm n ASP 64 N 5.21 -0.19 0.23 1.11 -0.08 -1.18 -3.90 116.55 117.75 1djm n ASP 64 Ca 0.34 0.77 0.14 0.00 -1.51 0.00 0.00 54.79 54.53 1djm n ASP 64 Cb 0.42 -1.27 0.77 0.00 2.34 0.00 0.00 41.12 43.38 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 0.37 0.00 1.63 0.27 0.00 -1.36 0.81 103.07 104.79 1djm h GLY 65 Ca -0.47 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1djm h GLY 65 CO 0.49 0.00 -0.63 -2.00 0.00 0.00 0.00 176.54 174.40 1djm h LEU 66 N 0.00 0.43 -0.47 3.11 7.12 -1.89 -1.41 115.31 122.20 1djm h LEU 66 Ca 0.05 -0.25 -0.07 0.00 0.13 0.00 0.00 57.88 57.74 1djm h LEU 66 Cb 0.23 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 1djm h LEU 66 CO -0.00 0.95 0.01 -0.33 -0.13 0.00 0.00 178.44 178.94 1djm h GLU 67 N 0.27 0.82 -0.05 1.25 4.39 -1.22 -0.38 114.58 119.66 1djm h GLU 67 Ca -0.01 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.45 1djm h GLU 67 Cb 1.16 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1djm h GLU 67 CO 0.11 0.87 -0.02 1.25 -1.16 0.00 0.00 179.01 180.06 1djm h LEU 68 N 0.68 -0.06 0.15 1.33 5.85 -1.09 0.15 115.31 122.31 1djm h LEU 68 Ca 0.13 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1djm h LEU 68 Cb 0.49 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1djm h LEU 68 CO 0.02 -0.02 -0.43 0.25 -0.34 0.00 0.00 178.44 177.92 1djm h LEU 69 N -0.01 -1.27 -1.20 2.25 5.85 -1.20 -1.47 115.31 118.28 1djm h LEU 69 Ca 0.03 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1djm h LEU 69 Cb 0.05 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1djm h LEU 69 CO -0.06 -0.47 -0.05 0.11 -0.34 0.00 0.00 178.44 177.63 1djm h LYS 70 N -0.64 0.49 -0.20 1.25 1.57 -0.76 0.21 116.57 118.48 1djm h LYS 70 Ca -0.01 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1djm h LYS 70 Cb 0.63 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1djm h LYS 70 CO -0.20 0.56 0.10 1.15 -0.57 0.00 0.00 179.45 180.48 1djm h THR 71 N 0.46 0.99 -0.10 -0.16 2.02 -0.57 -2.29 112.91 113.27 1djm h THR 71 Ca 0.09 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1djm h THR 71 Cb 0.39 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1djm h THR 71 CO 0.02 0.04 0.03 0.40 0.37 0.00 0.00 175.52 176.38 1djm h ILE 72 N 0.21 1.18 -0.04 3.11 2.04 -0.47 -3.19 117.51 120.35 1djm h ILE 72 Ca 0.08 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1djm h ILE 72 Cb 0.02 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1djm h ILE 72 CO -0.06 0.16 0.03 -0.09 0.00 0.00 0.00 178.15 178.19 1djm h ARG 73 N -0.03 0.00 0.01 2.37 1.12 -0.39 -2.71 114.38 114.75 1djm h ARG 73 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1djm h ARG 73 Cb 0.22 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1djm h ARG 73 CO -0.00 0.00 -0.06 0.00 -3.11 0.00 0.00 179.97 176.80 1djm h ALA 74 N 1.98 -0.58 -3.00 2.80 0.00 -1.40 -3.40 119.26 115.66 1djm h ALA 74 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1djm h ALA 74 Cb 0.08 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1djm h ALA 74 CO -0.00 -0.59 0.00 -0.40 0.00 0.00 0.00 179.25 178.26 1djm n ASP 75 N -2.81 0.99 -0.30 0.00 5.75 -1.23 -4.85 116.55 114.10 1djm n ASP 75 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.73 1djm n ASP 75 Cb 0.05 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 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 0.54 2.74 6.12 0.00 -1.26 -0.87 105.19 112.46 1djm n GLY 76 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.07 0.00 0.36 4.61 0.00 -1.26 -4.82 120.51 120.48 1djm n ALA 77 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1djm n ALA 77 Cb 0.35 -0.95 0.55 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 0.00 2.86 -1.22 -3.28 114.93 113.30 1djm h MET 78 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1djm h MET 78 Cb 0.58 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1djm h MET 78 CO 0.00 0.00 -0.01 0.66 1.06 0.00 0.00 176.91 178.62 1djm h SER 79 N 0.00 0.00 0.22 1.22 4.64 -1.39 0.10 113.55 118.34 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 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1djm h SER 79 CO 0.00 0.01 -0.11 0.00 -0.87 0.00 0.00 176.83 175.85 1djm n ALA 80 N -2.17 2.79 -2.12 5.18 0.00 -1.24 -4.81 120.51 118.15 1djm n ALA 80 Ca -0.03 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1djm n ALA 80 Cb 0.09 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.34 4.37 -0.69 0.00 1.43 0.35 -4.95 118.68 116.86 1djm s LEU 81 Ca 0.31 2.38 -0.26 0.00 -1.03 0.00 0.00 54.13 55.54 1djm s LEU 81 Cb 0.20 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 1djm s LEU 81 CO 0.45 -0.67 1.79 -2.16 0.23 0.00 0.00 176.35 175.98 1djm s PRO 82 N 0.98 2.72 -0.54 1.29 0.04 -1.26 -4.89 135.00 133.34 1djm s PRO 82 Ca 0.65 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.69 1djm s PRO 82 Cb -0.38 -4.51 0.03 0.00 0.04 0.00 0.00 34.50 29.68 1djm s PRO 82 CO 0.31 -2.75 1.24 0.14 0.04 0.00 0.00 177.00 175.98 1djm s VAL 83 N 8.69 4.00 -0.28 -0.36 -7.23 -1.25 -1.86 120.40 122.10 1djm s VAL 83 Ca 0.63 0.93 -0.07 0.00 -1.81 0.00 0.00 61.98 61.65 1djm s VAL 83 Cb -0.11 -4.60 -0.00 0.00 0.56 0.00 0.00 36.38 32.23 1djm s VAL 83 CO 0.15 -1.19 0.09 -0.22 -0.31 0.00 0.00 175.10 173.62 1djm s LEU 84 N 5.10 3.76 -0.25 1.32 2.96 0.10 -0.98 118.68 130.70 1djm s LEU 84 Ca 0.47 -0.54 -0.22 0.00 -0.22 0.00 0.00 54.13 53.63 1djm s LEU 84 Cb -0.08 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1djm s LEU 84 CO 0.27 -0.15 0.69 -0.04 -1.32 0.00 0.00 176.35 175.81 1djm s MET 85 N 1.55 4.14 -0.26 1.98 -1.94 -0.73 -1.72 119.30 122.32 1djm s MET 85 Ca 0.04 0.68 -0.01 0.00 -1.71 0.00 0.00 55.69 54.69 1djm s MET 85 Cb -0.16 -3.64 0.08 0.00 2.01 0.00 0.00 34.83 33.11 1djm s MET 85 CO 0.03 -0.44 0.04 0.08 -0.01 0.00 0.00 175.02 174.73 1djm s VAL 86 N 2.58 1.02 0.28 -6.03 1.01 0.49 -0.27 120.40 119.47 1djm s VAL 86 Ca 0.29 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1djm s VAL 86 Cb -0.15 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1djm s VAL 86 CO 0.08 -0.40 0.38 0.28 0.00 0.00 0.00 175.10 175.43 1djm s THR 87 N 1.59 0.00 -0.18 3.92 -1.32 -0.06 -3.38 115.64 116.20 1djm s THR 87 Ca 0.03 -1.67 0.22 0.00 -1.21 0.00 0.00 61.69 59.07 1djm s THR 87 Cb -0.18 -2.46 -0.12 0.00 -1.51 0.00 0.00 72.50 68.23 1djm s THR 87 CO -0.15 0.00 0.85 0.00 -2.21 0.00 0.00 174.62 173.11 1djm n ALA 88 N -0.44 2.67 -2.33 11.08 0.00 -1.26 -0.81 120.51 129.41 1djm n ALA 88 Ca 0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 1djm n ALA 88 Cb 0.63 -0.98 -0.06 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 -3.41 4.15 -0.09 0.00 2.02 -1.26 -4.49 118.70 115.61 1djm s GLU 89 Ca -0.03 0.67 -0.03 0.00 0.02 0.00 0.00 54.97 55.60 1djm s GLU 89 Cb 0.11 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1djm s GLU 89 CO 0.83 0.64 0.09 0.00 0.02 0.00 0.00 175.26 176.84 1djm h ALA 90 N 4.62 -0.06 -6.17 5.21 0.00 -1.95 -3.44 119.26 117.47 1djm h ALA 90 Ca -0.50 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 1djm h ALA 90 Cb 1.21 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1djm h ALA 90 CO 0.63 -0.06 -1.01 1.17 0.00 0.00 0.00 179.25 179.99 1djm n LYS 91 N -4.82 -1.99 -0.18 0.00 3.00 -1.26 -4.17 118.16 108.74 1djm n LYS 91 Ca -0.01 1.61 0.13 0.00 -0.00 0.00 0.00 58.31 60.04 1djm n LYS 91 Cb 0.04 -3.02 0.46 0.00 0.00 0.00 0.00 35.03 32.50 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1djm h LYS 92 N 2.19 0.50 0.00 1.64 1.57 -1.99 0.37 116.57 120.86 1djm h LYS 92 Ca -0.37 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 1djm h LYS 92 Cb 1.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1djm h LYS 92 CO 0.20 0.33 -0.28 0.93 -0.57 0.00 0.00 179.45 180.06 1djm h GLU 93 N 0.51 0.00 -0.50 3.15 5.08 -1.98 0.14 114.58 120.99 1djm h GLU 93 Ca 0.37 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1djm h GLU 93 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1djm h GLU 93 CO -0.13 0.28 0.06 -0.91 -1.00 0.00 0.00 179.01 177.31 1djm h ASN 94 N 0.00 0.81 0.20 1.42 4.21 -0.57 0.94 115.58 122.58 1djm h ASN 94 Ca -0.00 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.22 1djm h ASN 94 Cb 0.50 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1djm h ASN 94 CO 0.04 0.88 -0.09 0.40 -1.29 0.00 0.00 177.43 177.36 1djm h ILE 95 N 0.71 0.87 -0.50 2.81 2.04 -0.32 0.16 117.51 123.27 1djm h ILE 95 Ca 0.15 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.78 1djm h ILE 95 Cb 0.43 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1djm h ILE 95 CO 0.01 0.07 0.15 0.40 0.00 0.00 0.00 178.15 178.79 1djm h ILE 96 N -0.41 0.79 -0.82 -0.67 2.04 -0.82 -0.01 117.51 117.60 1djm h ILE 96 Ca -0.03 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1djm h ILE 96 Cb 0.32 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 1djm h ILE 96 CO 0.04 0.06 0.51 0.00 0.00 0.00 0.00 178.15 178.76 1djm h ALA 97 N 1.36 1.12 -0.12 1.87 0.00 -0.45 0.28 119.26 123.31 1djm h ALA 97 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1djm h ALA 97 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1djm h ALA 97 CO -0.27 0.27 0.04 0.00 0.00 0.00 0.00 179.25 179.29 1djm h ALA 98 N 1.38 0.16 0.00 0.00 0.00 -0.37 0.19 119.26 120.62 1djm h ALA 98 Ca 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1djm h ALA 98 Cb 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1djm h ALA 98 CO -0.16 -0.25 -0.14 0.00 0.00 0.00 0.00 179.25 178.70 1djm h ALA 99 N 0.87 1.05 0.05 0.00 0.00 -0.21 0.17 119.26 121.19 1djm h ALA 99 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1djm h ALA 99 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1djm h ALA 99 CO -0.00 0.18 -0.03 1.96 0.00 0.00 0.00 179.25 181.36 1djm h GLN 100 N 0.00 -0.07 -0.04 0.00 1.08 -0.36 -3.33 115.11 112.38 1djm h GLN 100 Ca -0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1djm h GLN 100 Cb 0.61 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1djm h GLN 100 CO 0.02 0.49 0.04 0.00 -0.95 0.00 0.00 178.83 178.43 1djm h ALA 101 N -0.31 1.73 -0.01 3.87 0.00 -0.42 -3.46 119.26 120.66 1djm h ALA 101 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1djm h ALA 101 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1djm h ALA 101 CO 0.01 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1djm n GLY 102 N -1.41 1.55 3.72 0.00 0.00 0.41 -4.84 105.19 104.63 1djm n GLY 102 Ca -0.02 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm s ALA 103 N -2.01 2.25 -0.70 4.61 0.00 -0.07 -4.92 121.76 120.93 1djm s ALA 103 Ca 0.00 1.10 0.25 0.00 0.00 0.00 0.00 51.96 53.31 1djm s ALA 103 Cb 0.00 -3.53 0.89 0.00 0.00 0.00 0.00 23.12 20.48 1djm s ALA 103 CO 0.00 -1.74 1.76 -1.13 0.00 0.00 0.00 175.76 174.66 1djm n SER 104 N -2.25 0.69 0.00 0.00 3.41 -0.15 -4.89 113.62 110.44 1djm n SER 104 Ca 0.15 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1djm n SER 104 Cb 0.49 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1djm n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1djm n GLY 105 N 0.94 0.67 2.88 5.00 0.00 -1.24 -4.78 105.19 108.66 1djm n GLY 105 Ca 0.05 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 1djm n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1djm s TYR 106 N -2.00 0.78 -0.39 1.61 6.14 -1.26 -1.77 117.35 120.46 1djm s TYR 106 Ca 0.00 -0.23 0.03 0.00 0.64 0.00 0.00 57.07 57.51 1djm s TYR 106 Cb 0.00 -0.71 0.11 0.00 0.42 0.00 0.00 41.96 41.78 1djm s TYR 106 CO 0.00 -0.22 0.13 0.08 0.64 0.00 0.00 175.55 176.18 1djm s VAL 107 N 1.09 2.02 0.49 3.14 1.01 0.62 -4.98 120.40 123.79 1djm s VAL 107 Ca -0.08 -2.45 -0.21 0.00 0.00 0.00 0.00 61.98 59.24 1djm s VAL 107 Cb -0.14 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1djm s VAL 107 CO -0.01 -0.70 1.07 -0.69 0.00 0.00 0.00 175.10 174.78 1djm s VAL 108 N 0.66 3.56 1.01 2.92 1.01 -1.26 -0.89 120.40 127.42 1djm s VAL 108 Ca 0.13 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 63.00 1djm s VAL 108 Cb -0.21 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.85 1djm s VAL 108 CO -0.08 -0.17 0.62 0.29 0.00 0.00 0.00 175.10 175.77 1djm n LYS 109 N -0.89 -0.93 -2.40 2.72 5.02 0.01 -4.31 118.16 117.38 1djm n LYS 109 Ca 0.09 -0.23 -0.41 0.00 -2.02 0.00 0.00 58.31 55.75 1djm n LYS 109 Cb 0.51 -2.01 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.98 4.54 0.09 1.97 0.04 -1.26 -5.00 135.00 131.39 1djm s PRO 110 Ca 0.61 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.55 1djm s PRO 110 Cb -0.21 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1djm s PRO 110 CO 0.64 0.02 -0.09 -0.59 0.04 0.00 0.00 177.00 177.02 1djm s PHE 111 N -0.50 0.97 0.31 0.56 -0.12 -1.26 -5.09 117.98 112.85 1djm s PHE 111 Ca 0.50 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1djm s PHE 111 Cb -0.33 -0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 41.51 1djm s PHE 111 CO 0.39 -0.03 0.38 0.95 -0.05 0.00 0.00 175.22 176.85 1djm s THR 112 N -2.35 0.00 0.52 -4.49 -4.23 -1.26 -5.03 115.64 98.81 1djm s THR 112 Ca 0.03 -1.74 0.17 0.00 -1.18 0.00 0.00 61.69 58.97 1djm s THR 112 Cb -0.03 -2.54 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1djm s THR 112 CO -0.00 0.00 2.14 0.00 -0.54 0.00 0.00 174.62 176.22 1djm h ALA 113 N 2.20 2.01 -0.88 3.99 0.00 -1.98 -0.85 119.26 123.76 1djm h ALA 113 Ca -0.28 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1djm h ALA 113 Cb 1.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1djm h ALA 113 CO 0.40 -0.04 0.55 0.00 0.00 0.00 0.00 179.25 180.16 1djm h ALA 114 N 1.98 1.20 0.00 0.00 0.00 -1.96 0.89 119.26 121.38 1djm h ALA 114 Ca 0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1djm h ALA 114 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1djm h ALA 114 CO -0.00 0.32 -1.28 0.00 0.00 0.00 0.00 179.25 178.30 1djm h THR 115 N 1.02 1.36 0.21 0.00 1.03 -1.73 -3.09 112.91 111.71 1djm h THR 115 Ca 0.38 -3.12 0.01 0.00 -0.01 0.00 0.00 66.41 63.67 1djm h THR 115 Cb 0.14 2.67 -0.03 0.00 -1.07 0.00 0.00 68.15 69.86 1djm h THR 115 CO -0.16 0.77 -0.33 0.25 -0.01 0.00 0.00 175.52 176.04 1djm h LEU 116 N 0.00 -0.93 -1.86 0.00 7.12 -0.56 -0.96 115.31 118.14 1djm h LEU 116 Ca -0.12 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1djm h LEU 116 Cb 1.86 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 42.32 1djm h LEU 116 CO 0.11 -0.44 -0.13 1.05 -0.13 0.00 0.00 178.44 178.90 1djm h GLU 117 N -0.61 0.00 -0.40 1.25 4.11 -0.96 0.11 114.58 118.09 1djm h GLU 117 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 1djm h GLU 117 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1djm h GLU 117 CO -0.14 0.13 0.02 1.49 0.07 0.00 0.00 179.01 180.59 1djm h GLU 118 N 0.00 0.68 -0.30 1.06 4.81 -1.31 0.51 114.58 120.02 1djm h GLU 118 Ca -0.00 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1djm h GLU 118 Cb 0.28 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1djm h GLU 118 CO 0.02 0.76 -0.19 0.87 -0.73 0.00 0.00 179.01 179.74 1djm h LYS 119 N 0.52 0.55 0.31 1.92 1.79 0.10 -1.50 116.57 120.25 1djm h LYS 119 Ca 0.11 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1djm h LYS 119 Cb 0.44 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1djm h LYS 119 CO 0.02 0.71 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.88 1djm h LEU 120 N 0.49 -0.35 -1.56 2.94 3.38 -0.70 -1.62 115.31 117.89 1djm h LEU 120 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1djm h LEU 120 Cb 0.60 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1djm h LEU 120 CO 0.04 -0.24 0.31 -1.13 0.09 0.00 0.00 178.44 177.51 1djm h ASN 121 N -0.43 0.51 -0.00 -0.43 -1.24 -0.85 0.15 115.58 113.28 1djm h ASN 121 Ca -0.04 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1djm h ASN 121 Cb 0.33 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.26 1djm h ASN 121 CO 0.07 0.36 -0.01 0.50 -1.29 0.00 0.00 177.43 177.06 1djm h LYS 122 N 0.60 -0.01 0.00 6.67 1.63 -0.89 -1.97 116.57 122.60 1djm h LYS 122 Ca 0.18 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.88 1djm h LYS 122 Cb -0.01 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1djm h LYS 122 CO -0.04 -0.01 -0.49 -0.84 -3.45 0.00 0.00 179.45 174.62 1djm h ILE 123 N -0.01 1.04 0.58 2.00 3.07 -0.62 0.31 117.51 123.87 1djm h ILE 123 Ca 0.00 -1.89 -0.02 0.00 1.55 0.00 0.00 64.86 64.50 1djm h ILE 123 Cb 0.02 2.12 -0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1djm h ILE 123 CO -0.01 0.48 -0.34 -0.26 -1.05 0.00 0.00 178.15 176.97 1djm h PHE 124 N 0.00 -0.90 0.19 0.16 -1.00 -0.78 -1.04 116.94 113.58 1djm h PHE 124 Ca -0.00 -0.01 -0.32 0.00 2.81 0.00 0.00 57.97 60.44 1djm h PHE 124 Cb 1.08 0.31 0.02 0.00 3.61 0.00 0.00 35.95 40.97 1djm h PHE 124 CO 0.00 -0.52 -1.48 0.93 -1.61 0.00 0.00 178.31 175.62 1djm h GLU 125 N -0.87 0.40 0.00 1.51 5.08 -1.12 -1.97 114.58 117.62 1djm h GLU 125 Ca -0.07 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 1djm h GLU 125 Cb 0.70 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1djm h GLU 125 CO 0.09 1.31 0.00 1.17 -1.00 0.00 0.00 179.01 180.58 1djm n LYS 126 N -3.61 0.00 0.15 2.33 4.81 0.11 -3.97 118.16 117.98 1djm n LYS 126 Ca -0.16 0.27 0.02 0.00 -0.87 0.00 0.00 58.31 57.58 1djm n LYS 126 Cb 1.07 -1.09 0.38 0.00 0.02 0.00 0.00 35.03 35.41 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 0.14 -0.50 3.14 3.38 -1.40 -3.47 115.31 116.60 1djm h LEU 127 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1djm h LEU 127 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1djm h LEU 127 CO 0.00 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.52 1djm n GLY 128 N -0.72 0.96 0.00 0.83 0.00 -0.77 -5.03 105.19 100.46 1djm n GLY 128 Ca -0.01 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.63 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35