#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 0.87 0.10 3.04 0.00 -1.26 -5.19 121.76 119.31 1djm s ALA 2 Ca 0.00 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.44 1djm s ALA 2 Cb 0.00 1.21 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 1djm s ALA 2 CO 0.00 -0.76 -0.10 -0.51 0.00 0.00 0.00 175.76 174.38 1djm s ASP 3 N -3.23 1.47 0.46 0.00 1.01 -1.26 -5.02 116.67 110.10 1djm s ASP 3 Ca 0.32 -0.80 0.24 0.00 0.71 0.00 0.00 52.55 53.02 1djm s ASP 3 Cb 0.01 0.00 1.26 0.00 1.01 0.00 0.00 42.92 45.20 1djm s ASP 3 CO 0.20 -0.25 1.81 0.11 0.21 0.00 0.00 175.17 177.25 1djm h LYS 4 N 3.60 0.24 -6.90 8.23 1.79 -2.03 -3.46 116.57 118.05 1djm h LYS 4 Ca -0.37 -0.01 -0.59 0.00 -2.18 0.00 0.00 60.65 57.50 1djm h LYS 4 Cb 1.19 -0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.71 1djm h LYS 4 CO 0.52 0.16 -0.98 0.39 -1.08 0.00 0.00 179.45 178.45 1djm n GLU 5 N -4.45 -0.82 -1.46 3.15 1.02 -1.26 -4.73 120.64 112.09 1djm n GLU 5 Ca 0.23 0.14 -0.48 0.00 -0.02 0.00 0.00 57.16 57.03 1djm n GLU 5 Cb 0.94 -3.18 -0.07 0.00 -0.02 0.00 0.00 31.44 29.10 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 -4.78 2.01 -4.79 -4.62 0.00 -1.26 -4.87 117.00 98.69 1djm n LEU 6 Ca -0.20 0.27 -0.37 0.00 0.00 0.00 0.00 56.01 55.71 1djm n LEU 6 Cb 0.62 -1.28 -0.06 0.00 0.00 0.00 0.00 43.42 42.70 1djm n LEU 6 CO 0.78 -0.83 0.51 -0.75 0.00 0.00 0.00 177.39 177.09 1djm s LYS 7 N 6.72 4.44 -0.53 1.96 2.47 -1.26 -4.75 119.74 128.80 1djm s LYS 7 Ca 1.10 1.09 -0.04 0.00 -1.56 0.00 0.00 55.97 56.56 1djm s LYS 7 Cb -0.80 -2.97 0.14 0.00 -1.46 0.00 0.00 37.83 32.74 1djm s LYS 7 CO 0.46 0.41 0.35 -0.06 0.16 0.00 0.00 175.35 176.67 1djm s PHE 8 N -1.44 3.50 0.23 4.03 0.40 -0.77 -1.07 117.98 122.86 1djm s PHE 8 Ca 0.43 -2.46 -0.30 0.00 -0.60 0.00 0.00 56.93 54.00 1djm s PHE 8 Cb -0.19 -3.27 -0.09 0.00 0.51 0.00 0.00 43.02 39.98 1djm s PHE 8 CO 0.23 -0.92 1.28 -1.17 0.70 0.00 0.00 175.22 175.35 1djm s LEU 9 N 0.61 4.43 -0.16 -0.37 2.96 -0.12 -0.41 118.68 125.62 1djm s LEU 9 Ca 0.12 2.42 -0.01 0.00 -0.22 0.00 0.00 54.13 56.44 1djm s LEU 9 Cb -0.22 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 42.90 1djm s LEU 9 CO -0.04 -0.48 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.82 1djm s VAL 10 N -0.23 0.76 -0.51 1.68 1.01 0.14 -0.57 120.40 122.68 1djm s VAL 10 Ca 0.54 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1djm s VAL 10 Cb -0.36 -1.05 0.30 0.00 0.00 0.00 0.00 36.38 35.26 1djm s VAL 10 CO 0.41 0.02 0.76 0.52 0.00 0.00 0.00 175.10 176.81 1djm n VAL 11 N 4.99 1.42 -2.09 2.92 0.31 0.35 -3.85 118.33 122.37 1djm n VAL 11 Ca -0.10 -4.95 -0.32 0.00 -0.01 0.00 0.00 64.34 58.96 1djm n VAL 11 Cb 0.48 -1.45 -0.00 0.00 -0.91 0.00 0.00 33.84 31.96 1djm n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1djm s ASP 12 N -2.52 6.22 0.07 4.52 -1.08 -1.26 -0.83 116.67 121.79 1djm s ASP 12 Ca 0.42 1.57 -0.26 0.00 -0.52 0.00 0.00 52.55 53.76 1djm s ASP 12 Cb 0.24 -2.50 -0.17 0.00 -1.46 0.00 0.00 42.92 39.03 1djm s ASP 12 CO -0.09 -0.87 1.62 -0.78 0.52 0.00 0.00 175.17 175.58 1djm h ASP 13 N 0.29 -0.20 -3.50 -0.34 1.82 -1.94 -3.40 116.42 109.14 1djm h ASP 13 Ca -0.46 -0.06 -0.62 0.00 -0.39 0.00 0.00 57.03 55.51 1djm h ASP 13 Cb 1.19 0.05 -0.12 0.00 0.68 0.00 0.00 39.33 41.13 1djm h ASP 13 CO 0.60 -0.07 0.45 0.12 -1.61 0.00 0.00 179.24 178.73 1djm s PHE 14 N -5.82 2.93 0.27 0.28 5.36 -1.26 -4.93 117.98 114.80 1djm s PHE 14 Ca -0.14 0.13 -0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1djm s PHE 14 Cb 0.05 -3.83 0.57 0.00 -0.34 0.00 0.00 43.02 39.46 1djm s PHE 14 CO 0.64 -1.11 1.75 0.77 -1.46 0.00 0.00 175.22 175.80 1djm h SER 15 N 9.09 0.47 -0.69 6.13 0.02 -2.02 0.14 113.55 126.71 1djm h SER 15 Ca -0.25 0.10 0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1djm h SER 15 Cb 1.08 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 63.56 1djm h SER 15 CO 1.01 0.17 0.19 0.74 -1.14 0.00 0.00 176.83 177.80 1djm h THR 16 N 0.57 0.61 0.00 -2.27 2.02 -1.96 -0.54 112.91 111.33 1djm h THR 16 Ca 0.48 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.54 1djm h THR 16 Cb 0.73 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1djm h THR 16 CO -0.40 0.06 -0.07 -0.03 0.37 0.00 0.00 175.52 175.45 1djm h MET 17 N 0.32 0.00 -0.41 6.66 -1.53 -1.12 0.55 114.93 119.40 1djm h MET 17 Ca 0.37 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.49 1djm h MET 17 Cb 0.58 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.62 1djm h MET 17 CO -0.43 0.07 -0.30 0.00 0.14 0.00 0.00 176.91 176.39 1djm h ARG 18 N 0.00 0.89 -0.39 0.39 3.08 -0.79 -1.08 114.38 116.48 1djm h ARG 18 Ca -0.00 -0.41 -0.09 0.00 0.07 0.00 0.00 59.98 59.54 1djm h ARG 18 Cb 0.18 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1djm h ARG 18 CO 0.01 1.06 -0.13 0.00 -1.07 0.00 0.00 179.97 179.84 1djm h ARG 19 N 0.75 0.71 0.23 0.04 -0.00 -0.70 -0.06 114.38 115.36 1djm h ARG 19 Ca 0.08 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.98 59.32 1djm h ARG 19 Cb 0.86 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.76 1djm h ARG 19 CO 0.08 0.81 -0.26 0.82 0.00 0.00 0.00 179.97 181.42 1djm h ILE 20 N 0.64 0.00 -0.67 2.04 5.03 -1.05 0.51 117.51 124.01 1djm h ILE 20 Ca 0.11 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.99 1djm h ILE 20 Cb 0.59 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.26 1djm h ILE 20 CO 0.04 0.00 -0.11 0.58 -0.68 0.00 0.00 178.15 177.98 1djm h VAL 21 N -0.50 0.36 -0.41 1.67 2.07 -0.85 0.15 116.25 118.74 1djm h VAL 21 Ca -0.03 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1djm h VAL 21 Cb 0.44 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1djm h VAL 21 CO -0.05 0.01 0.17 -0.09 0.02 0.00 0.00 177.57 177.63 1djm h ARG 22 N 0.03 0.34 -0.89 1.57 2.43 -0.91 -0.25 114.38 116.71 1djm h ARG 22 Ca 0.34 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1djm h ARG 22 Cb 0.54 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1djm h ARG 22 CO -0.66 0.23 0.50 -0.97 -1.51 0.00 0.00 179.97 177.56 1djm h ASN 23 N 0.35 1.10 -0.47 -3.80 -1.24 0.15 -0.46 115.58 111.21 1djm h ASN 23 Ca 0.18 -0.09 -0.10 0.00 0.71 0.00 0.00 56.30 57.00 1djm h ASN 23 Cb 0.14 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 1djm h ASN 23 CO -0.16 0.87 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.70 1djm h LEU 24 N 1.23 0.92 -1.61 0.34 3.38 -0.34 0.33 115.31 119.57 1djm h LEU 24 Ca 0.31 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1djm h LEU 24 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1djm h LEU 24 CO -0.05 1.02 -0.21 -0.07 0.09 0.00 0.00 178.44 179.22 1djm h LEU 25 N 0.84 0.00 -0.27 1.67 3.38 -0.63 0.08 115.31 120.39 1djm h LEU 25 Ca 0.14 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 1djm h LEU 25 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1djm h LEU 25 CO 0.04 0.21 -0.72 0.11 0.09 0.00 0.00 178.44 178.16 1djm h LYS 26 N 0.00 0.68 -0.49 1.13 1.79 -0.21 -0.04 116.57 119.44 1djm h LYS 26 Ca -0.00 -0.53 -0.06 0.00 -2.18 0.00 0.00 60.65 57.88 1djm h LYS 26 Cb 0.47 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1djm h LYS 26 CO 0.03 1.15 0.05 0.93 -1.08 0.00 0.00 179.45 180.53 1djm h GLU 27 N 0.48 0.77 -0.67 3.15 4.39 -0.24 -3.42 114.58 119.05 1djm h GLU 27 Ca -0.04 -0.18 0.11 0.00 0.34 0.00 0.00 59.36 59.59 1djm h GLU 27 Cb 1.33 -0.10 -0.20 0.00 -0.10 0.00 0.00 28.75 29.68 1djm h GLU 27 CO 0.14 0.75 -0.22 -0.48 -1.16 0.00 0.00 179.01 178.04 1djm s LEU 28 N -9.22 -1.10 0.00 1.33 0.05 -0.05 -5.09 118.68 104.60 1djm s LEU 28 Ca -0.09 0.11 0.00 0.00 0.05 0.00 0.00 54.13 54.20 1djm s LEU 28 Cb 0.15 1.69 0.00 0.00 -2.05 0.00 0.00 46.19 45.98 1djm s LEU 28 CO 0.80 -0.20 0.00 0.61 -0.55 0.00 0.00 176.35 177.01 1djm n GLY 29 N 5.25 -0.71 2.38 -3.48 0.00 -0.10 -4.25 105.19 104.28 1djm n GLY 29 Ca 0.07 0.39 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 1djm n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1djm n PHE 30 N 0.00 -0.93 -4.27 1.61 3.01 -0.76 -4.96 117.46 111.16 1djm n PHE 30 Ca 0.00 -1.83 -0.15 0.00 1.01 0.00 0.00 57.45 56.48 1djm n PHE 30 Cb 0.00 0.32 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 1djm n PHE 30 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1djm n ASN 31 N -1.89 0.57 -3.40 4.37 0.23 -1.26 -4.15 115.26 109.73 1djm n ASN 31 Ca 0.03 -2.39 -0.18 0.00 -0.53 0.00 0.00 54.58 51.51 1djm n ASN 31 Cb 0.43 0.80 0.04 0.00 -2.08 0.00 0.00 39.78 38.97 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 -1.88 -6.33 -4.82 0.53 3.02 -1.26 -4.57 115.26 99.96 1djm n ASN 32 Ca -0.01 -0.68 -0.31 0.00 -0.03 0.00 0.00 54.58 53.56 1djm n ASN 32 Cb 0.39 -4.25 0.05 0.00 -0.61 0.00 0.00 39.78 35.36 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1djm s VAL 33 N -3.27 3.99 0.31 2.41 -7.23 -1.26 -1.84 120.40 113.51 1djm s VAL 33 Ca 0.30 0.65 0.03 0.00 -1.81 0.00 0.00 61.98 61.14 1djm s VAL 33 Cb -0.08 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 1djm s VAL 33 CO 0.80 -0.84 0.12 -0.70 -0.31 0.00 0.00 175.10 174.17 1djm s GLU 34 N -5.05 1.62 0.16 4.82 2.56 0.46 -4.80 118.70 118.46 1djm s GLU 34 Ca 0.58 -1.92 -0.01 0.00 0.00 0.00 0.00 54.97 53.63 1djm s GLU 34 Cb -0.14 -0.37 -0.04 0.00 2.00 0.00 0.00 34.13 35.58 1djm s GLU 34 CO 0.55 -0.37 0.07 -1.21 -0.56 0.00 0.00 175.26 173.75 1djm s GLU 35 N -3.87 1.05 0.19 4.30 2.02 -1.26 -0.68 118.70 120.45 1djm s GLU 35 Ca 0.34 -1.52 -0.01 0.00 0.02 0.00 0.00 54.97 53.80 1djm s GLU 35 Cb 0.06 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 1djm s GLU 35 CO 0.16 -0.29 0.12 0.00 0.02 0.00 0.00 175.26 175.27 1djm s ALA 36 N -4.03 1.13 0.14 5.21 0.00 -1.25 -4.89 121.76 118.07 1djm s ALA 36 Ca 0.29 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.46 1djm s ALA 36 Cb 0.07 1.32 -0.04 0.00 0.00 0.00 0.00 23.12 24.47 1djm s ALA 36 CO 0.06 -0.58 1.49 0.93 0.00 0.00 0.00 175.76 177.66 1djm h GLU 37 N 2.65 0.91 -1.99 0.00 4.39 -1.95 -3.46 114.58 115.13 1djm h GLU 37 Ca -0.36 -0.45 0.38 0.00 0.34 0.00 0.00 59.36 59.28 1djm h GLU 37 Cb 1.24 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.81 1djm h GLU 37 CO 0.54 1.10 0.97 0.16 -1.16 0.00 0.00 179.01 180.62 1djm s ASP 38 N -6.73 0.00 0.31 1.42 1.47 -1.26 -5.01 116.67 106.87 1djm s ASP 38 Ca -0.11 -0.09 0.08 0.00 1.18 0.00 0.00 52.55 53.61 1djm s ASP 38 Cb 0.11 0.07 0.89 0.00 -0.34 0.00 0.00 42.92 43.65 1djm s ASP 38 CO 0.87 -0.13 1.67 1.23 0.68 0.00 0.00 175.17 179.48 1djm h GLY 39 N 2.00 1.73 0.91 2.12 0.00 -1.90 0.31 103.07 108.24 1djm h GLY 39 Ca -0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1djm h GLY 39 CO 0.30 -0.40 0.10 -2.08 0.00 0.00 0.00 176.54 174.46 1djm h VAL 40 N 0.31 1.16 -0.12 4.60 2.07 -1.96 -1.52 116.25 120.79 1djm h VAL 40 Ca 0.64 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.61 1djm h VAL 40 Cb 1.36 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1djm h VAL 40 CO -0.61 0.15 -0.35 -0.78 0.02 0.00 0.00 177.57 176.01 1djm h ASP 41 N 0.23 0.24 -0.70 0.57 3.58 -1.59 -2.65 116.42 116.10 1djm h ASP 41 Ca 0.08 -0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.46 1djm h ASP 41 Cb 0.15 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 1djm h ASP 41 CO -0.01 0.58 0.45 0.00 -2.88 0.00 0.00 179.24 177.38 1djm h ALA 42 N 1.43 0.91 -0.24 -0.78 0.00 0.11 0.15 119.26 120.85 1djm h ALA 42 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1djm h ALA 42 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1djm h ALA 42 CO 0.05 0.25 0.14 -0.07 0.00 0.00 0.00 179.25 179.62 1djm h LEU 43 N 0.89 0.29 -0.73 0.00 -0.00 -1.11 0.50 115.31 115.14 1djm h LEU 43 Ca 0.27 -0.06 0.07 0.00 -0.00 0.00 0.00 57.88 58.17 1djm h LEU 43 Cb -0.02 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 40.50 1djm h LEU 43 CO -0.09 0.26 0.41 -1.13 -0.00 0.00 0.00 178.44 177.89 1djm h ASN 44 N 0.29 0.60 0.23 -0.43 -1.24 -0.99 -0.10 115.58 113.94 1djm h ASN 44 Ca 0.08 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1djm h ASN 44 Cb 0.03 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.00 1djm h ASN 44 CO -0.02 0.37 -0.11 0.11 -1.29 0.00 0.00 177.43 176.49 1djm h LYS 45 N 0.73 -0.30 -0.00 6.67 1.79 -0.58 -3.29 116.57 121.58 1djm h LYS 45 Ca 0.34 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.86 1djm h LYS 45 Cb 0.26 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1djm h LYS 45 CO -0.21 -0.08 -0.20 -0.07 -1.08 0.00 0.00 179.45 177.81 1djm h LEU 46 N -0.48 -0.58 0.00 2.94 -0.00 -0.13 -1.27 115.31 115.79 1djm h LEU 46 Ca -0.03 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1djm h LEU 46 Cb 0.36 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1djm h LEU 46 CO 0.05 -0.26 0.00 0.00 -0.00 0.00 0.00 178.44 178.23 1djm n GLN 47 N -5.33 0.26 -0.50 1.13 10.64 -0.12 -1.61 117.38 121.85 1djm n GLN 47 Ca -0.05 0.06 0.07 0.00 -1.83 0.00 0.00 57.00 55.25 1djm n GLN 47 Cb 0.24 -1.50 0.14 0.00 -0.86 0.00 0.00 30.24 28.27 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 -1.08 2.83 -3.75 2.61 0.00 -0.50 -5.08 120.51 115.55 1djm n ALA 48 Ca 0.07 -2.72 -0.06 0.00 0.00 0.00 0.00 53.44 50.73 1djm n ALA 48 Cb 0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 1djm n ALA 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1djm s GLY 49 N -2.74 -0.23 -0.87 0.00 0.00 -0.63 -5.01 107.32 97.84 1djm s GLY 49 Ca 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.07 1djm s GLY 49 CO -0.04 0.00 2.18 0.61 0.00 0.00 0.00 173.10 175.85 1djm n GLY 50 N -0.44 5.40 3.77 0.20 0.00 -1.26 -4.88 105.19 107.98 1djm n GLY 50 Ca -0.06 -2.33 -0.40 0.00 0.00 0.00 0.00 46.02 43.23 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 -3.32 2.57 -0.11 1.61 1.51 -1.26 -4.41 117.35 113.94 1djm s TYR 51 Ca 0.50 1.29 0.15 0.00 -1.01 0.00 0.00 57.07 58.01 1djm s TYR 51 Cb 0.34 -3.86 -0.24 0.00 -0.11 0.00 0.00 41.96 38.09 1djm s TYR 51 CO -0.27 -2.71 0.44 0.41 -1.11 0.00 0.00 175.55 172.31 1djm n GLY 52 N 0.59 -1.01 3.01 0.71 0.00 -0.23 -4.87 105.19 103.39 1djm n GLY 52 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1djm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 53 N -2.58 0.42 -0.20 1.61 0.40 -1.02 -4.53 117.98 112.08 1djm s PHE 53 Ca -0.07 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1djm s PHE 53 Cb 0.07 -0.27 0.07 0.00 0.51 0.00 0.00 43.02 43.40 1djm s PHE 53 CO 0.83 -0.13 0.07 0.08 0.70 0.00 0.00 175.22 176.77 1djm s VAL 54 N -1.30 0.24 -0.05 -0.44 1.01 -1.26 -0.95 120.40 117.66 1djm s VAL 54 Ca -0.12 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1djm s VAL 54 Cb -0.09 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1djm s VAL 54 CO -0.00 -0.33 -0.23 -0.63 0.00 0.00 0.00 175.10 173.91 1djm s ILE 55 N 1.98 1.88 0.03 2.22 1.01 0.26 -1.68 121.20 126.91 1djm s ILE 55 Ca 0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 1djm s ILE 55 Cb -0.17 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1djm s ILE 55 CO -0.13 0.53 0.26 -0.94 0.00 0.00 0.00 174.94 174.66 1djm s SER 56 N -0.21 -0.08 1.13 3.58 1.04 -0.59 -0.50 113.70 118.08 1djm s SER 56 Ca -0.01 -0.19 -0.14 0.00 0.48 0.00 0.00 55.95 56.10 1djm s SER 56 Cb -0.12 0.32 0.26 0.00 0.10 0.00 0.00 66.02 66.58 1djm s SER 56 CO 0.02 -0.55 1.05 1.51 0.98 0.00 0.00 173.24 176.25 1djm s ASP 57 N -1.87 1.34 0.00 7.02 1.47 -0.01 -0.49 116.67 124.13 1djm s ASP 57 Ca -0.07 1.28 0.00 0.00 1.18 0.00 0.00 52.55 54.93 1djm s ASP 57 Cb -0.02 -1.98 0.00 0.00 -0.34 0.00 0.00 42.92 40.58 1djm s ASP 57 CO -0.02 -3.94 0.00 1.87 0.68 0.00 0.00 175.17 173.76 1djm n TRP 58 N -4.72 0.00 -3.88 2.11 -0.00 -1.26 -3.91 117.44 105.79 1djm n TRP 58 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.55 1djm n TRP 58 Cb 0.56 -0.15 -0.00 0.00 -0.00 0.00 0.00 31.31 31.72 1djm n TRP 58 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1djm n ASN 59 N -1.17 -4.88 -2.74 5.87 2.85 -1.26 -0.72 115.26 113.20 1djm n ASN 59 Ca 0.00 0.05 -0.05 0.00 -0.11 0.00 0.00 54.58 54.47 1djm n ASN 59 Cb 0.00 -0.15 0.03 0.00 1.24 0.00 0.00 39.78 40.90 1djm n ASN 59 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1djm n MET 60 N -1.68 0.55 0.00 1.20 0.00 -1.26 -4.55 117.12 111.38 1djm n MET 60 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 57.70 56.00 1djm n MET 60 Cb 0.02 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.03 1djm n MET 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1djm n PRO 61 N 2.34 0.00 0.02 2.12 -0.05 -1.26 -4.92 135.00 133.25 1djm n PRO 61 Ca 0.13 0.44 0.00 0.00 -0.05 0.00 0.00 63.50 64.01 1djm n PRO 61 Cb 0.60 -1.02 0.00 0.00 -0.05 0.00 0.00 33.50 33.03 1djm n PRO 61 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1djm n ASN 62 N -1.81 0.07 -4.47 3.54 2.85 -1.26 -4.95 115.26 109.24 1djm n ASN 62 Ca 0.00 0.07 -0.43 0.00 -0.11 0.00 0.00 54.58 54.11 1djm n ASN 62 Cb 0.00 0.02 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1djm s MET 63 N -1.20 3.19 1.11 1.20 1.75 -1.26 -5.09 119.30 119.00 1djm s MET 63 Ca 0.00 -0.70 -0.14 0.00 -1.25 0.00 0.00 55.69 53.60 1djm s MET 63 Cb 0.00 -4.11 0.25 0.00 2.84 0.00 0.00 34.83 33.81 1djm s MET 63 CO 0.00 -1.38 1.06 0.16 -0.65 0.00 0.00 175.02 174.21 1djm s ASP 64 N 2.89 1.59 0.52 1.11 -4.77 -1.26 -4.22 116.67 112.52 1djm s ASP 64 Ca 0.21 1.17 0.17 0.00 -3.30 0.00 0.00 52.55 50.79 1djm s ASP 64 Cb -0.17 -1.81 1.29 0.00 -1.09 0.00 0.00 42.92 41.14 1djm s ASP 64 CO 0.14 -3.78 2.15 1.23 0.70 0.00 0.00 175.17 175.61 1djm h GLY 65 N -2.33 0.00 1.08 2.12 0.00 -1.04 0.15 103.07 103.05 1djm h GLY 65 Ca -0.56 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 1djm h GLY 65 CO 0.51 0.00 -0.40 -2.00 0.00 0.00 0.00 176.54 174.66 1djm h LEU 66 N 0.00 0.91 -0.51 3.11 7.12 -1.86 -1.05 115.31 123.03 1djm h LEU 66 Ca -0.00 -0.49 -0.16 0.00 0.13 0.00 0.00 57.88 57.36 1djm h LEU 66 Cb 0.02 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.88 1djm h LEU 66 CO 0.00 1.22 -0.72 -0.33 -0.13 0.00 0.00 178.44 178.48 1djm h GLU 67 N 0.63 0.18 0.45 1.25 4.39 -1.74 0.24 114.58 119.97 1djm h GLU 67 Ca 0.04 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1djm h GLU 67 Cb 0.99 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1djm h GLU 67 CO 0.09 0.82 -0.28 1.25 -1.16 0.00 0.00 179.01 179.73 1djm h LEU 68 N 0.12 -0.72 0.16 1.33 5.85 -0.92 0.15 115.31 121.29 1djm h LEU 68 Ca -0.02 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1djm h LEU 68 Cb 1.27 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 1djm h LEU 68 CO 0.11 -0.45 -0.40 0.25 -0.34 0.00 0.00 178.44 177.61 1djm h LEU 69 N -0.70 -1.15 -1.46 2.25 5.85 -1.10 -1.79 115.31 117.20 1djm h LEU 69 Ca -0.05 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1djm h LEU 69 Cb 0.58 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1djm h LEU 69 CO 0.04 -0.48 -0.07 0.11 -0.34 0.00 0.00 178.44 177.70 1djm h LYS 70 N -0.66 0.00 0.50 1.25 1.57 -0.43 0.35 116.57 119.15 1djm h LYS 70 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1djm h LYS 70 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1djm h LYS 70 CO -0.21 0.07 -0.24 1.15 -0.57 0.00 0.00 179.45 179.65 1djm h THR 71 N 0.00 0.00 -0.79 -0.16 2.02 -0.52 -3.08 112.91 110.39 1djm h THR 71 Ca -0.00 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.23 1djm h THR 71 Cb 0.54 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 1djm h THR 71 CO 0.01 0.00 0.51 0.40 0.37 0.00 0.00 175.52 176.81 1djm h ILE 72 N -0.71 0.97 0.00 3.11 2.04 -0.40 -1.64 117.51 120.87 1djm h ILE 72 Ca -0.07 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1djm h ILE 72 Cb 0.52 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1djm h ILE 72 CO 0.11 0.14 -0.14 -0.09 0.00 0.00 0.00 178.15 178.16 1djm h ARG 73 N 0.75 0.00 -0.01 2.37 1.12 -0.43 -2.18 114.38 115.99 1djm h ARG 73 Ca 0.36 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.23 1djm h ARG 73 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1djm h ARG 73 CO -0.13 0.14 -0.10 0.00 -3.11 0.00 0.00 179.97 176.77 1djm n ALA 74 N -2.18 2.66 -1.70 2.80 0.00 -0.68 -4.63 120.51 116.78 1djm n ALA 74 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 1djm n ALA 74 Cb 0.39 -0.41 0.04 0.00 0.00 0.00 0.00 19.45 19.48 1djm n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1djm s ASP 75 N -1.21 5.01 0.00 0.00 2.15 -0.85 -4.95 116.67 116.83 1djm s ASP 75 Ca 0.12 2.41 0.31 0.00 0.43 0.00 0.00 52.55 55.82 1djm s ASP 75 Cb 0.10 -2.60 1.66 0.00 -0.30 0.00 0.00 42.92 41.78 1djm s ASP 75 CO 0.21 -1.72 2.11 0.61 -0.17 0.00 0.00 175.17 176.21 1djm n GLY 76 N 0.52 -1.16 0.14 2.66 0.00 -1.26 -3.95 105.19 102.14 1djm n GLY 76 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.17 2.08 0.62 4.61 0.00 -1.26 -4.86 120.51 120.53 1djm n ALA 77 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1djm n ALA 77 Cb 0.19 0.11 0.37 0.00 0.00 0.00 0.00 19.45 20.11 1djm n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1djm n MET 78 N -1.79 0.06 0.26 0.00 2.81 -1.26 -3.44 117.12 113.76 1djm n MET 78 Ca 0.00 0.20 0.18 0.00 -1.81 0.00 0.00 57.70 56.27 1djm n MET 78 Cb 0.11 -1.50 0.88 0.00 -0.71 0.00 0.00 33.22 32.00 1djm n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1djm h SER 79 N 0.00 0.00 0.47 7.83 4.64 -1.52 -0.34 113.55 124.63 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 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 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 -1.98 1.83 -1.78 5.18 0.00 -1.22 -4.84 120.51 117.69 1djm n ALA 80 Ca -0.01 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1djm n ALA 80 Cb 0.14 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.82 4.02 -1.00 0.00 1.43 -0.14 -4.96 118.68 115.22 1djm s LEU 81 Ca 0.12 2.07 -0.05 0.00 -1.03 0.00 0.00 54.13 55.24 1djm s LEU 81 Cb 0.11 -4.30 0.08 0.00 0.03 0.00 0.00 46.19 42.10 1djm s LEU 81 CO 0.29 -0.68 2.59 -0.81 0.23 0.00 0.00 176.35 177.96 1djm n PRO 82 N -0.43 3.75 -1.55 1.29 -0.04 -1.26 -4.79 135.00 131.97 1djm n PRO 82 Ca 0.07 -2.95 -0.49 0.00 -0.04 0.00 0.00 63.50 60.08 1djm n PRO 82 Cb 0.50 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1djm n PRO 82 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1djm n VAL 83 N 1.55 0.32 -3.99 0.52 0.24 -1.25 -4.39 118.33 111.34 1djm n VAL 83 Ca 0.58 -0.24 -0.35 0.00 -2.04 0.00 0.00 64.34 62.29 1djm n VAL 83 Cb 0.37 -1.83 -0.13 0.00 -1.47 0.00 0.00 33.84 30.79 1djm n VAL 83 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1djm s LEU 84 N 6.41 3.22 -0.05 1.34 2.96 -0.68 -1.03 118.68 130.85 1djm s LEU 84 Ca 1.03 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 54.42 1djm s LEU 84 Cb -0.74 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 1djm s LEU 84 CO 0.49 0.03 0.95 -0.04 -1.32 0.00 0.00 176.35 176.46 1djm s MET 85 N 1.20 4.49 -0.20 1.98 -1.94 -0.74 -1.54 119.30 122.55 1djm s MET 85 Ca 0.03 1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 55.30 1djm s MET 85 Cb -0.15 -3.49 0.07 0.00 2.01 0.00 0.00 34.83 33.27 1djm s MET 85 CO 0.01 -0.13 0.08 0.08 -0.01 0.00 0.00 175.02 175.05 1djm s VAL 86 N 1.35 0.11 0.19 -6.03 1.01 0.36 -0.57 120.40 116.81 1djm s VAL 86 Ca 0.49 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 1djm s VAL 86 Cb -0.20 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1djm s VAL 86 CO 0.23 -0.33 0.43 0.28 0.00 0.00 0.00 175.10 175.71 1djm s THR 87 N 2.04 0.04 0.14 3.92 -1.32 -0.75 -3.91 115.64 115.80 1djm s THR 87 Ca 0.02 -1.10 0.13 0.00 -1.21 0.00 0.00 61.69 59.54 1djm s THR 87 Cb -0.16 -1.76 0.01 0.00 -1.51 0.00 0.00 72.50 69.08 1djm s THR 87 CO -0.13 -0.17 1.57 0.00 -2.21 0.00 0.00 174.62 173.68 1djm h ALA 88 N 2.34 0.82 -1.85 11.08 0.00 -1.94 -0.24 119.26 129.47 1djm h ALA 88 Ca -0.29 -0.53 -0.67 0.00 0.00 0.00 0.00 54.91 53.41 1djm h ALA 88 Cb 1.25 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1djm h ALA 88 CO 0.41 0.73 0.47 -1.21 0.00 0.00 0.00 179.25 179.66 1djm s GLU 89 N -3.34 3.24 0.00 0.00 0.41 -1.26 -4.52 118.70 113.23 1djm s GLU 89 Ca 0.00 -1.30 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 1djm s GLU 89 Cb 0.11 -4.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.02 1djm s GLU 89 CO 0.74 -1.70 0.80 0.00 -0.49 0.00 0.00 175.26 174.62 1djm n ALA 90 N 6.82 -0.27 -3.05 5.21 0.00 -1.26 -4.98 120.51 122.98 1djm n ALA 90 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1djm n ALA 90 Cb 0.46 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.50 -0.58 -0.33 0.00 4.81 -1.26 -4.22 118.16 115.08 1djm n LYS 91 Ca 0.00 0.89 0.23 0.00 -0.87 0.00 0.00 58.31 58.55 1djm n LYS 91 Cb 0.00 -0.89 0.45 0.00 0.02 0.00 0.00 35.03 34.62 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1djm h LYS 92 N 3.99 0.26 -0.60 1.64 6.56 -1.98 0.22 116.57 126.66 1djm h LYS 92 Ca 0.00 -0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.65 1djm h LYS 92 Cb 0.64 -0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 32.18 1djm h LYS 92 CO 0.00 0.17 0.27 1.49 -2.06 0.00 0.00 179.45 179.32 1djm h GLU 93 N 0.27 0.48 -0.38 3.15 4.81 -1.99 0.19 114.58 121.11 1djm h GLU 93 Ca 0.72 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.79 1djm h GLU 93 Cb 1.63 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 1djm h GLU 93 CO -0.64 0.32 -0.26 -0.91 -0.73 0.00 0.00 179.01 176.79 1djm h ASN 94 N 0.49 0.80 -0.59 1.04 -0.26 -0.89 -1.67 115.58 114.51 1djm h ASN 94 Ca 0.29 -0.30 -0.06 0.00 -0.56 0.00 0.00 56.30 55.67 1djm h ASN 94 Cb 0.28 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1djm h ASN 94 CO -0.24 1.02 0.15 0.40 -1.06 0.00 0.00 177.43 177.69 1djm h ILE 95 N 0.67 1.25 -0.18 2.81 2.04 -0.20 -0.12 117.51 123.79 1djm h ILE 95 Ca 0.09 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1djm h ILE 95 Cb 0.78 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1djm h ILE 95 CO 0.06 0.33 0.11 0.40 0.00 0.00 0.00 178.15 179.05 1djm h ILE 96 N 0.85 1.03 -0.72 -0.67 2.04 -0.55 -1.51 117.51 117.99 1djm h ILE 96 Ca 0.19 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.06 1djm h ILE 96 Cb 0.34 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1djm h ILE 96 CO 0.00 0.04 0.37 0.00 0.00 0.00 0.00 178.15 178.56 1djm h ALA 97 N 1.07 0.99 -0.30 1.87 0.00 -0.64 0.24 119.26 122.49 1djm h ALA 97 Ca 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1djm h ALA 97 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1djm h ALA 97 CO -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 179.25 179.30 1djm h ALA 98 N 1.41 0.40 -0.41 0.00 0.00 -0.90 -0.22 119.26 119.55 1djm h ALA 98 Ca 0.34 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1djm h ALA 98 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1djm h ALA 98 CO -0.25 0.05 -0.10 0.00 0.00 0.00 0.00 179.25 178.96 1djm h ALA 99 N 0.91 1.07 -0.35 0.00 0.00 -0.46 0.82 119.26 121.25 1djm h ALA 99 Ca 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1djm h ALA 99 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1djm h ALA 99 CO -0.00 0.57 0.09 1.96 0.00 0.00 0.00 179.25 181.87 1djm h GLN 100 N 0.65 0.56 0.00 0.00 1.08 -0.42 -0.86 115.11 116.13 1djm h GLN 100 Ca 0.12 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1djm h GLN 100 Cb 0.54 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1djm h GLN 100 CO 0.03 0.61 0.00 0.00 -0.95 0.00 0.00 178.83 178.52 1djm n ALA 101 N -2.33 1.94 -2.15 3.87 0.00 -0.11 -4.91 120.51 116.82 1djm n ALA 101 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1djm n ALA 101 Cb 0.19 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.23 0.05 3.40 0.00 0.00 0.07 -4.94 105.19 103.99 1djm n GLY 102 Ca 0.08 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 103 N -1.38 -2.76 0.19 4.61 0.00 0.03 -4.89 120.51 116.30 1djm n ALA 103 Ca -0.09 -0.63 0.05 0.00 0.00 0.00 0.00 53.44 52.77 1djm n ALA 103 Cb 0.57 -1.76 0.48 0.00 0.00 0.00 0.00 19.45 18.74 1djm n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1djm h SER 104 N -1.55 0.08 0.00 0.00 4.64 -1.30 -3.46 113.55 111.95 1djm h SER 104 Ca -0.44 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1djm h SER 104 Cb 1.28 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1djm h SER 104 CO 0.34 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1djm n GLY 105 N -1.04 -1.49 2.51 -0.77 0.00 -1.26 -4.78 105.19 98.35 1djm n GLY 105 Ca -0.02 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.50 0.56 0.10 1.61 6.14 -1.26 -1.80 117.35 120.21 1djm s TYR 106 Ca 0.00 -1.28 -0.30 0.00 0.64 0.00 0.00 57.07 56.13 1djm s TYR 106 Cb 0.00 -0.93 -0.06 0.00 0.42 0.00 0.00 41.96 41.39 1djm s TYR 106 CO 0.00 -0.83 1.04 0.08 0.64 0.00 0.00 175.55 176.48 1djm s VAL 107 N 1.56 4.32 0.11 3.14 1.01 0.26 -5.00 120.40 125.81 1djm s VAL 107 Ca 0.14 1.84 0.08 0.00 0.00 0.00 0.00 61.98 64.03 1djm s VAL 107 Cb -0.20 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1djm s VAL 107 CO -0.18 0.24 -0.12 -0.69 0.00 0.00 0.00 175.10 174.35 1djm s VAL 108 N 0.32 3.21 1.13 2.92 1.01 -1.26 -1.80 120.40 125.92 1djm s VAL 108 Ca 0.51 -1.35 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 1djm s VAL 108 Cb -0.26 -2.49 0.18 0.00 0.00 0.00 0.00 36.38 33.81 1djm s VAL 108 CO 0.31 0.10 0.48 2.29 0.00 0.00 0.00 175.10 178.28 1djm n LYS 109 N 0.72 -1.84 -2.62 2.72 2.85 -0.10 -3.75 118.16 116.14 1djm n LYS 109 Ca -0.14 -0.51 -0.41 0.00 -1.05 0.00 0.00 58.31 56.20 1djm n LYS 109 Cb 0.52 -1.92 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1djm s PRO 110 N -3.88 3.40 0.56 -1.58 0.04 -1.26 -5.03 135.00 127.25 1djm s PRO 110 Ca 0.62 -0.82 -0.11 0.00 0.04 0.00 0.00 61.00 60.73 1djm s PRO 110 Cb -0.18 -4.77 -0.05 0.00 0.04 0.00 0.00 34.50 29.54 1djm s PRO 110 CO 0.66 -2.11 0.96 -0.59 0.04 0.00 0.00 177.00 175.95 1djm s PHE 111 N 4.97 3.58 0.33 0.56 -0.12 -1.25 -5.08 117.98 120.98 1djm s PHE 111 Ca 0.38 1.21 0.00 0.00 -0.05 0.00 0.00 56.93 58.48 1djm s PHE 111 Cb -0.05 -2.64 0.00 0.00 -0.63 0.00 0.00 43.02 39.71 1djm s PHE 111 CO 0.01 -0.52 0.42 0.25 -0.05 0.00 0.00 175.22 175.33 1djm n THR 112 N -2.37 0.00 -0.11 -4.49 -2.24 -1.26 -5.04 114.28 98.77 1djm n THR 112 Ca 0.05 -1.80 0.12 0.00 -2.27 0.00 0.00 64.05 60.15 1djm n THR 112 Cb 0.54 1.05 0.48 0.00 -2.10 0.00 0.00 70.33 70.31 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 2.00 1.99 -0.07 6.98 0.00 -1.98 -1.28 119.26 126.90 1djm h ALA 113 Ca -0.25 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1djm h ALA 113 Cb 1.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1djm h ALA 113 CO 0.34 -0.14 0.11 0.00 0.00 0.00 0.00 179.25 179.56 1djm h ALA 114 N 1.68 1.54 0.00 0.00 0.00 -1.98 -0.64 119.26 119.86 1djm h ALA 114 Ca 0.30 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 1djm h ALA 114 Cb 0.57 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1djm h ALA 114 CO -0.09 -0.14 -2.07 -2.37 0.00 0.00 0.00 179.25 174.58 1djm n THR 115 N -3.64 1.07 -0.16 0.00 5.66 -0.58 -4.28 114.28 112.35 1djm n THR 115 Ca -0.01 -0.54 -0.02 0.00 -3.05 0.00 0.00 64.05 60.43 1djm n THR 115 Cb 0.20 -0.88 0.07 0.00 -1.55 0.00 0.00 70.33 68.17 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 -0.03 -1.41 1.09 7.12 -0.82 -1.50 115.31 119.75 1djm h LEU 116 Ca -0.42 0.10 -0.04 0.00 0.13 0.00 0.00 57.88 57.65 1djm h LEU 116 Cb 1.80 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 42.06 1djm h LEU 116 CO -0.02 0.01 -0.02 1.05 -0.13 0.00 0.00 178.44 179.33 1djm h GLU 117 N 0.22 0.36 -0.40 1.25 -0.00 -1.36 -1.77 114.58 112.87 1djm h GLU 117 Ca 0.26 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.36 59.51 1djm h GLU 117 Cb 0.36 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 29.03 1djm h GLU 117 CO -0.35 0.41 0.07 1.49 -0.00 0.00 0.00 179.01 180.63 1djm h GLU 118 N 0.35 0.67 -0.39 1.06 4.81 -1.46 0.21 114.58 119.83 1djm h GLU 118 Ca 0.08 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1djm h GLU 118 Cb 0.26 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1djm h GLU 118 CO 0.01 0.71 -0.11 0.87 -0.73 0.00 0.00 179.01 179.75 1djm h LYS 119 N 0.52 0.76 -0.02 1.92 1.79 -1.12 0.47 116.57 120.89 1djm h LYS 119 Ca 0.12 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1djm h LYS 119 Cb 0.36 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1djm h LYS 119 CO 0.01 0.91 -0.16 -0.07 -1.08 0.00 0.00 179.45 179.05 1djm h LEU 120 N 0.57 -0.48 -0.48 2.94 3.38 -1.21 -1.68 115.31 118.35 1djm h LEU 120 Ca 0.10 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1djm h LEU 120 Cb 0.64 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1djm h LEU 120 CO 0.04 -0.22 0.10 -1.13 0.09 0.00 0.00 178.44 177.32 1djm h ASN 121 N -0.26 0.02 0.45 -0.43 -0.73 -0.26 0.19 115.58 114.57 1djm h ASN 121 Ca 0.06 0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1djm h ASN 121 Cb 0.34 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1djm h ASN 121 CO -0.17 0.04 -0.36 0.11 -0.37 0.00 0.00 177.43 176.68 1djm h LYS 122 N 0.24 -0.76 0.00 6.67 1.57 -0.62 -1.76 116.57 121.92 1djm h LYS 122 Ca 0.24 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1djm h LYS 122 Cb 0.31 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1djm h LYS 122 CO -0.30 -0.50 -0.28 -0.84 -0.57 0.00 0.00 179.45 176.96 1djm h ILE 123 N -0.78 0.91 -0.03 1.86 3.07 -1.07 0.23 117.51 121.69 1djm h ILE 123 Ca -0.06 -1.06 0.01 0.00 1.55 0.00 0.00 64.86 65.31 1djm h ILE 123 Cb 0.66 1.62 -0.02 0.00 -0.27 0.00 0.00 36.82 38.81 1djm h ILE 123 CO 0.01 0.27 -0.05 -0.26 -1.05 0.00 0.00 178.15 177.07 1djm h PHE 124 N 0.00 -0.12 -0.03 0.16 -1.00 -0.54 -1.45 116.94 113.97 1djm h PHE 124 Ca -0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 1djm h PHE 124 Cb 0.60 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1djm h PHE 124 CO 0.00 -0.08 -0.08 0.93 -1.61 0.00 0.00 178.31 177.47 1djm h GLU 125 N -0.07 0.11 0.06 1.51 4.39 -0.84 -1.61 114.58 118.12 1djm h GLU 125 Ca 0.03 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1djm h GLU 125 Cb 0.12 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1djm h GLU 125 CO -0.07 0.69 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.22 1djm h LYS 126 N -0.46 -0.08 -0.63 2.33 3.11 -0.50 -3.28 116.57 117.06 1djm h LYS 126 Ca -0.00 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1djm h LYS 126 Cb 0.70 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.92 1djm h LYS 126 CO 0.02 -0.05 0.15 -0.07 -2.81 0.00 0.00 179.45 176.69 1djm h LEU 127 N -0.48 0.96 0.00 5.20 3.38 -1.52 -3.47 115.31 119.38 1djm h LEU 127 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1djm h LEU 127 Cb 0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1djm h LEU 127 CO 0.01 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1djm n GLY 128 N -0.64 1.77 0.00 0.83 0.00 -0.64 -5.05 105.19 101.46 1djm n GLY 128 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1djm n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47