#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 6.49 -1.96 3.04 0.00 -1.26 -4.91 120.51 121.91 1djm n ALA 2 Ca 0.00 -2.23 -0.27 0.00 0.00 0.00 0.00 53.44 50.94 1djm n ALA 2 Cb 0.00 -2.38 0.14 0.00 0.00 0.00 0.00 19.45 17.22 1djm n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djm s ASP 3 N 1.67 3.78 0.11 0.00 1.01 -1.26 -4.96 116.67 117.02 1djm s ASP 3 Ca 0.65 -0.06 0.17 0.00 0.71 0.00 0.00 52.55 54.03 1djm s ASP 3 Cb 0.32 -0.17 0.74 0.00 1.01 0.00 0.00 42.92 44.82 1djm s ASP 3 CO -0.05 -2.27 1.54 0.29 0.21 0.00 0.00 175.17 174.89 1djm n LYS 4 N -3.27 0.08 -3.21 8.23 4.01 -1.26 -4.90 118.16 117.83 1djm n LYS 4 Ca 0.15 0.34 -0.18 0.00 -0.51 0.00 0.00 58.31 58.11 1djm n LYS 4 Cb 0.60 -1.66 -0.02 0.00 -0.51 0.00 0.00 35.03 33.45 1djm n LYS 4 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1djm n GLU 5 N -1.80 -2.59 -1.57 1.97 2.13 -1.26 -4.71 120.64 112.80 1djm n GLU 5 Ca 0.03 0.27 -0.43 0.00 0.66 0.00 0.00 57.16 57.68 1djm n GLU 5 Cb 0.18 -4.87 -0.04 0.00 0.27 0.00 0.00 31.44 26.98 1djm n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1djm n LEU 6 N -3.29 2.95 -4.74 4.31 7.94 -1.26 -4.93 117.00 117.99 1djm n LEU 6 Ca 0.00 0.12 -0.39 0.00 -1.11 0.00 0.00 56.01 54.64 1djm n LEU 6 Cb 0.52 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.89 1djm n LEU 6 CO 0.40 -0.82 0.26 -0.75 -1.11 0.00 0.00 177.39 175.36 1djm s LYS 7 N 6.65 4.34 0.13 1.96 2.20 -1.26 -4.68 119.74 129.07 1djm s LYS 7 Ca 1.02 0.64 -0.24 0.00 -0.36 0.00 0.00 55.97 57.03 1djm s LYS 7 Cb -0.39 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 32.46 1djm s LYS 7 CO 0.36 0.23 0.74 -0.06 -0.36 0.00 0.00 175.35 176.25 1djm s PHE 8 N 0.33 3.87 -0.09 4.03 0.40 0.01 -0.76 117.98 125.76 1djm s PHE 8 Ca 0.30 1.55 -0.03 0.00 -0.60 0.00 0.00 56.93 58.15 1djm s PHE 8 Cb -0.17 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 1djm s PHE 8 CO 0.14 0.49 0.04 -1.17 0.70 0.00 0.00 175.22 175.43 1djm s LEU 9 N -0.98 3.79 -0.30 -0.37 2.96 -0.57 -0.61 118.68 122.61 1djm s LEU 9 Ca 0.35 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1djm s LEU 9 Cb -0.22 -1.89 0.10 0.00 0.50 0.00 0.00 46.19 44.67 1djm s LEU 9 CO 0.24 0.38 0.11 -0.69 -1.32 0.00 0.00 176.35 175.08 1djm s VAL 10 N -0.93 0.45 -0.77 1.68 1.01 -0.29 -0.89 120.40 120.66 1djm s VAL 10 Ca 0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1djm s VAL 10 Cb -0.11 -1.35 0.19 0.00 0.00 0.00 0.00 36.38 35.11 1djm s VAL 10 CO 0.03 -0.68 0.62 -0.69 0.00 0.00 0.00 175.10 174.38 1djm s VAL 11 N 1.83 4.01 0.62 2.92 1.01 -0.24 -4.08 120.40 126.47 1djm s VAL 11 Ca 0.09 -3.50 -0.01 0.00 0.00 0.00 0.00 61.98 58.56 1djm s VAL 11 Cb -0.17 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.73 1djm s VAL 11 CO -0.30 -0.99 0.87 -0.62 0.00 0.00 0.00 175.10 174.06 1djm s ASP 12 N 0.14 4.96 0.41 3.32 2.15 -1.26 -0.80 116.67 125.59 1djm s ASP 12 Ca 0.23 -0.01 0.16 0.00 0.43 0.00 0.00 52.55 53.36 1djm s ASP 12 Cb -0.13 -0.71 0.90 0.00 -0.30 0.00 0.00 42.92 42.68 1djm s ASP 12 CO -0.09 -1.40 1.89 -0.78 -0.17 0.00 0.00 175.17 174.62 1djm h ASP 13 N -0.20 0.00 -3.31 -0.34 3.58 -1.96 -3.44 116.42 110.74 1djm h ASP 13 Ca -0.41 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.51 1djm h ASP 13 Cb 1.29 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.96 1djm h ASP 13 CO 0.51 0.30 -0.78 0.12 -2.88 0.00 0.00 179.24 176.51 1djm s PHE 14 N -4.19 1.33 0.30 0.28 5.36 -1.26 -5.04 117.98 114.76 1djm s PHE 14 Ca -0.03 -0.89 0.06 0.00 -0.96 0.00 0.00 56.93 55.11 1djm s PHE 14 Cb 0.14 -1.14 0.76 0.00 -0.34 0.00 0.00 43.02 42.44 1djm s PHE 14 CO 0.69 -0.58 1.76 0.77 -1.46 0.00 0.00 175.22 176.40 1djm h SER 15 N 8.19 0.70 -0.94 6.13 0.02 -2.01 0.94 113.55 126.58 1djm h SER 15 Ca -0.20 0.11 0.17 0.00 -0.84 0.00 0.00 61.79 61.03 1djm h SER 15 Cb 1.11 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.57 1djm h SER 15 CO 0.35 0.21 0.60 0.74 -1.14 0.00 0.00 176.83 177.59 1djm h THR 16 N 0.68 0.76 -0.88 -2.27 2.02 -1.99 0.89 112.91 112.11 1djm h THR 16 Ca 0.58 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.57 1djm h THR 16 Cb 0.97 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 1djm h THR 16 CO -0.42 0.12 0.57 -0.03 0.37 0.00 0.00 175.52 176.14 1djm h MET 17 N 0.67 1.08 -0.74 6.66 4.05 -1.24 0.10 114.93 125.52 1djm h MET 17 Ca 0.50 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.80 1djm h MET 17 Cb 0.87 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 1djm h MET 17 CO -0.25 0.72 0.27 -0.09 0.23 0.00 0.00 176.91 177.78 1djm h ARG 18 N 1.12 1.11 -0.14 0.39 1.12 -0.90 0.35 114.38 117.43 1djm h ARG 18 Ca 0.35 -0.21 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1djm h ARG 18 Cb -0.01 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.77 1djm h ARG 18 CO -0.11 0.92 0.07 0.00 -3.11 0.00 0.00 179.97 177.74 1djm h ARG 19 N 1.08 0.20 0.59 0.20 -0.00 -0.75 -0.85 114.38 114.84 1djm h ARG 19 Ca 0.24 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.68 1djm h ARG 19 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.16 1djm h ARG 19 CO -0.02 0.24 -0.42 0.82 0.00 0.00 0.00 179.97 180.59 1djm h ILE 20 N 0.12 0.16 -0.14 2.04 5.03 -0.36 0.12 117.51 124.48 1djm h ILE 20 Ca 0.05 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.82 1djm h ILE 20 Cb 0.10 0.16 -0.03 0.00 -3.03 0.00 0.00 36.82 34.01 1djm h ILE 20 CO -0.01 0.00 -0.08 0.58 -0.68 0.00 0.00 178.15 177.97 1djm h VAL 21 N -0.97 0.76 -0.40 1.67 2.07 -0.97 0.08 116.25 118.48 1djm h VAL 21 Ca -0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1djm h VAL 21 Cb 0.81 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1djm h VAL 21 CO 0.03 0.00 0.03 -0.09 0.02 0.00 0.00 177.57 177.56 1djm h ARG 22 N -0.07 0.13 -0.29 1.57 2.43 -0.99 0.87 114.38 118.04 1djm h ARG 22 Ca 0.08 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1djm h ARG 22 Cb 0.19 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1djm h ARG 22 CO -0.18 0.09 0.08 -0.97 -1.51 0.00 0.00 179.97 177.47 1djm h ASN 23 N 0.14 0.44 -0.86 -3.80 -1.24 -0.18 -0.04 115.58 110.03 1djm h ASN 23 Ca 0.20 -0.22 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 1djm h ASN 23 Cb 0.27 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 1djm h ASN 23 CO -0.31 0.55 0.44 -0.07 -1.29 0.00 0.00 177.43 176.75 1djm h LEU 24 N 0.30 1.10 -1.18 0.34 3.38 -0.64 0.19 115.31 118.81 1djm h LEU 24 Ca 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1djm h LEU 24 Cb 0.28 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1djm h LEU 24 CO 0.00 0.91 0.44 -0.07 0.09 0.00 0.00 178.44 179.81 1djm h LEU 25 N 1.21 0.89 -0.60 1.67 3.38 -0.60 -1.08 115.31 120.18 1djm h LEU 25 Ca 0.30 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 1djm h LEU 25 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1djm h LEU 25 CO -0.04 0.69 -0.51 0.11 0.09 0.00 0.00 178.44 178.77 1djm h LYS 26 N 1.02 0.50 -0.78 1.13 1.79 0.17 0.83 116.57 121.24 1djm h LYS 26 Ca 0.27 -0.30 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1djm h LYS 26 Cb -0.04 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 1djm h LYS 26 CO -0.05 0.89 0.51 0.93 -1.08 0.00 0.00 179.45 180.65 1djm h GLU 27 N 0.39 1.03 0.50 3.15 4.39 -0.16 -3.01 114.58 120.86 1djm h GLU 27 Ca 0.01 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1djm h GLU 27 Cb 1.03 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1djm h GLU 27 CO 0.09 0.68 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.32 1djm h LEU 28 N 1.06 -0.57 0.00 1.33 3.38 -1.03 -3.48 115.31 116.00 1djm h LEU 28 Ca 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1djm h LEU 28 Cb -0.12 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1djm h LEU 28 CO -0.06 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 178.83 1djm n GLY 29 N -0.73 -0.24 3.93 0.83 0.00 0.11 -5.10 105.19 103.99 1djm n GLY 29 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 2.59 0.35 1.61 0.08 -0.20 -4.94 117.98 117.47 1djm s PHE 30 Ca 0.00 0.42 0.04 0.00 0.12 0.00 0.00 56.93 57.51 1djm s PHE 30 Cb 0.00 -3.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.04 1djm s PHE 30 CO 0.00 -1.72 0.37 0.27 -0.10 0.00 0.00 175.22 174.04 1djm n ASN 31 N -3.13 -0.98 -2.48 1.36 0.23 -1.26 -4.30 115.26 104.69 1djm n ASN 31 Ca 0.10 -3.14 -0.05 0.00 -0.53 0.00 0.00 54.58 50.97 1djm n ASN 31 Cb 0.60 2.06 0.01 0.00 -2.08 0.00 0.00 39.78 40.37 1djm n ASN 31 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1djm n ASN 32 N -1.64 -6.45 -4.61 0.53 5.15 -1.26 -4.69 115.26 102.29 1djm n ASN 32 Ca 0.05 0.56 -0.24 0.00 -0.60 0.00 0.00 54.58 54.35 1djm n ASN 32 Cb 0.61 -4.27 -0.08 0.00 -0.53 0.00 0.00 39.78 35.51 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 -1.97 2.93 0.21 3.44 -7.23 -1.26 -0.81 120.40 115.72 1djm s VAL 33 Ca 0.14 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1djm s VAL 33 Cb -0.04 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1djm s VAL 33 CO 0.58 -0.30 0.17 -1.61 -0.31 0.00 0.00 175.10 173.62 1djm s GLU 34 N -3.67 1.27 0.36 4.82 0.41 0.22 -4.88 118.70 117.24 1djm s GLU 34 Ca 0.33 -1.63 0.07 0.00 -0.41 0.00 0.00 54.97 53.32 1djm s GLU 34 Cb -0.04 0.29 -0.07 0.00 -1.78 0.00 0.00 34.13 32.53 1djm s GLU 34 CO 0.19 -0.43 -0.01 -2.00 -0.49 0.00 0.00 175.26 172.52 1djm s GLU 35 N -4.09 1.82 0.22 1.61 2.12 -1.26 -1.14 118.70 117.98 1djm s GLU 35 Ca 0.38 -2.00 -0.01 0.00 0.36 0.00 0.00 54.97 53.70 1djm s GLU 35 Cb 0.06 -1.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.96 1djm s GLU 35 CO 0.13 -0.02 0.18 0.00 -0.54 0.00 0.00 175.26 175.01 1djm s ALA 36 N -2.83 1.10 0.16 6.30 0.00 -1.26 -4.89 121.76 120.35 1djm s ALA 36 Ca 0.34 -1.66 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 1djm s ALA 36 Cb 0.07 1.37 0.02 0.00 0.00 0.00 0.00 23.12 24.58 1djm s ALA 36 CO 0.16 -0.62 1.41 0.93 0.00 0.00 0.00 175.76 177.64 1djm h GLU 37 N 2.53 0.45 -1.88 0.00 5.08 -1.96 -3.45 114.58 115.35 1djm h GLU 37 Ca -0.34 -0.38 0.40 0.00 -1.00 0.00 0.00 59.36 58.05 1djm h GLU 37 Cb 1.25 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 1djm h GLU 37 CO 0.50 1.01 1.00 0.16 -1.00 0.00 0.00 179.01 180.68 1djm s ASP 38 N -7.00 -0.00 0.32 1.42 -4.77 -1.26 -4.94 116.67 100.45 1djm s ASP 38 Ca -0.06 -0.04 0.09 0.00 -3.30 0.00 0.00 52.55 49.23 1djm s ASP 38 Cb 0.10 0.03 0.95 0.00 -1.09 0.00 0.00 42.92 42.91 1djm s ASP 38 CO 0.85 -0.06 1.61 1.23 0.70 0.00 0.00 175.17 179.49 1djm h GLY 39 N 2.00 1.66 0.96 2.12 0.00 -1.93 0.38 103.07 108.26 1djm h GLY 39 Ca -0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1djm h GLY 39 CO 0.30 -0.55 0.14 -2.08 0.00 0.00 0.00 176.54 174.34 1djm h VAL 40 N 0.10 1.11 -0.34 4.60 2.07 -1.96 -1.83 116.25 120.00 1djm h VAL 40 Ca 0.67 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.77 1djm h VAL 40 Cb 1.53 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1djm h VAL 40 CO -0.77 0.11 -0.30 -0.78 0.02 0.00 0.00 177.57 175.85 1djm h ASP 41 N 0.29 0.75 0.13 0.57 3.58 -1.68 -3.27 116.42 116.78 1djm h ASP 41 Ca 0.09 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1djm h ASP 41 Cb 0.05 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1djm h ASP 41 CO -0.01 1.00 -0.11 0.00 -2.88 0.00 0.00 179.24 177.24 1djm h ALA 42 N 1.05 -0.23 -0.72 -0.78 0.00 0.10 0.22 119.26 118.90 1djm h ALA 42 Ca 0.07 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1djm h ALA 42 Cb 0.82 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1djm h ALA 42 CO 0.07 -0.64 0.41 1.25 0.00 0.00 0.00 179.25 180.34 1djm h LEU 43 N -0.25 0.62 -1.05 0.00 5.85 -1.43 -0.99 115.31 118.06 1djm h LEU 43 Ca -0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1djm h LEU 43 Cb 0.23 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1djm h LEU 43 CO -0.01 0.39 -0.28 -1.13 -0.34 0.00 0.00 178.44 177.07 1djm h ASN 44 N 0.75 0.00 -0.50 1.25 -1.24 -1.46 -1.59 115.58 112.79 1djm h ASN 44 Ca 0.32 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.26 1djm h ASN 44 Cb 0.20 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1djm h ASN 44 CO -0.19 0.28 0.02 0.11 -1.29 0.00 0.00 177.43 176.36 1djm h LYS 45 N 0.00 0.87 -0.46 6.67 1.79 0.27 -2.37 116.57 123.35 1djm h LYS 45 Ca -0.00 -0.27 0.06 0.00 -2.18 0.00 0.00 60.65 58.26 1djm h LYS 45 Cb 0.80 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 1djm h LYS 45 CO 0.04 0.89 0.17 -0.07 -1.08 0.00 0.00 179.45 179.40 1djm h LEU 46 N 0.74 0.19 -0.08 2.94 3.38 -0.35 0.31 115.31 122.43 1djm h LEU 46 Ca 0.14 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1djm h LEU 46 Cb 0.49 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1djm h LEU 46 CO 0.02 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1djm n GLN 47 N -4.99 0.67 0.00 1.13 6.02 -0.72 -1.91 117.38 117.58 1djm n GLN 47 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1djm n GLN 47 Cb 0.17 -1.03 0.64 0.00 1.02 0.00 0.00 30.24 31.04 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 -0.45 2.28 0.00 -1.58 0.00 0.10 -4.94 120.51 115.93 1djm n ALA 48 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1djm n ALA 48 Cb 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 0.69 -1.55 2.91 0.00 0.00 -0.80 -5.05 105.19 101.38 1djm n GLY 49 Ca 0.14 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.71 1djm n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1djm s GLY 50 N 0.00 -1.28 0.94 -0.02 0.00 -1.17 -5.06 107.32 100.74 1djm s GLY 50 Ca 0.00 1.77 -0.13 0.00 0.00 0.00 0.00 44.72 46.37 1djm s GLY 50 CO 0.00 4.29 1.14 -0.19 0.00 0.00 0.00 173.10 178.34 1djm s TYR 51 N 2.41 2.29 -0.18 1.90 1.51 -1.26 -4.77 117.35 119.24 1djm s TYR 51 Ca 0.21 0.81 0.16 0.00 -1.01 0.00 0.00 57.07 57.25 1djm s TYR 51 Cb 0.02 -3.42 -0.22 0.00 -0.11 0.00 0.00 41.96 38.23 1djm s TYR 51 CO -0.19 -2.54 0.06 0.41 -1.11 0.00 0.00 175.55 172.18 1djm n GLY 52 N -2.09 -0.89 3.15 0.71 0.00 0.06 -4.90 105.19 101.22 1djm n GLY 52 Ca 0.07 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.44 -0.07 -0.62 1.61 0.08 -1.24 -4.48 117.98 110.82 1djm s PHE 53 Ca -0.09 0.10 0.05 0.00 0.12 0.00 0.00 56.93 57.11 1djm s PHE 53 Cb 0.05 0.02 0.17 0.00 -0.57 0.00 0.00 43.02 42.69 1djm s PHE 53 CO 0.74 -0.30 0.44 0.08 -0.10 0.00 0.00 175.22 176.09 1djm s VAL 54 N -1.16 2.22 -0.11 -0.44 1.01 -0.75 -1.51 120.40 119.67 1djm s VAL 54 Ca -0.12 -3.82 -0.18 0.00 0.00 0.00 0.00 61.98 57.86 1djm s VAL 54 Cb -0.06 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1djm s VAL 54 CO 0.02 -1.06 0.48 -0.63 0.00 0.00 0.00 175.10 173.92 1djm s ILE 55 N -1.01 5.16 0.09 2.22 1.01 -0.07 -1.25 121.20 127.36 1djm s ILE 55 Ca 0.26 0.97 -0.06 0.00 0.00 0.00 0.00 60.65 61.82 1djm s ILE 55 Cb -0.03 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1djm s ILE 55 CO -0.17 0.34 0.13 -0.94 0.00 0.00 0.00 174.94 174.31 1djm s SER 56 N 0.48 0.23 0.00 3.58 1.04 -0.56 -1.08 113.70 117.40 1djm s SER 56 Ca 0.26 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1djm s SER 56 Cb -0.15 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1djm s SER 56 CO 0.11 -0.72 0.00 -0.90 0.98 0.00 0.00 173.24 172.71 1djm n ASP 57 N -0.04 0.00 0.00 7.02 5.75 0.02 -0.70 116.55 128.60 1djm n ASP 57 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 1djm n ASP 57 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1djm n ASP 57 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1djm n TRP 58 N -0.27 0.00 -1.65 2.11 -0.00 -1.26 -4.43 117.44 111.94 1djm n TRP 58 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 1djm n TRP 58 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 31.31 31.48 1djm n TRP 58 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1djm n ASN 59 N -0.97 2.53 -4.27 5.87 6.94 -1.26 -1.72 115.26 122.38 1djm n ASN 59 Ca 0.00 -3.86 -0.37 0.00 -0.02 0.00 0.00 54.58 50.33 1djm n ASN 59 Cb 0.15 -0.52 0.04 0.00 -2.36 0.00 0.00 39.78 37.09 1djm n ASN 59 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1djm n MET 60 N -1.04 0.10 0.22 -3.83 2.81 -1.26 -4.91 117.12 109.21 1djm n MET 60 Ca 0.27 0.05 0.09 0.00 -1.81 0.00 0.00 57.70 56.30 1djm n MET 60 Cb 0.80 -1.34 0.52 0.00 -0.71 0.00 0.00 33.22 32.49 1djm n MET 60 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1djm h PRO 61 N -0.46 0.00 0.00 0.03 0.13 -1.97 -3.43 132.00 126.30 1djm h PRO 61 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1djm h PRO 61 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1djm h PRO 61 CO 0.37 0.24 0.00 -1.71 -0.23 0.00 0.00 178.00 176.67 1djm n ASN 62 N -3.64 0.00 -4.58 1.44 2.85 -1.26 -5.01 115.26 105.06 1djm n ASN 62 Ca -0.01 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.04 1djm n ASN 62 Cb 0.37 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.36 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1djm s MET 63 N 0.96 3.45 0.95 1.20 1.75 -1.26 -4.98 119.30 121.36 1djm s MET 63 Ca 0.00 0.38 -0.10 0.00 -1.25 0.00 0.00 55.69 54.72 1djm s MET 63 Cb 0.00 -4.05 0.17 0.00 2.84 0.00 0.00 34.83 33.79 1djm s MET 63 CO 0.00 -1.75 1.13 0.16 -0.65 0.00 0.00 175.02 173.91 1djm s ASP 64 N 3.53 2.63 0.47 1.11 1.47 -1.26 -3.88 116.67 120.74 1djm s ASP 64 Ca 0.48 2.13 0.24 0.00 1.18 0.00 0.00 52.55 56.58 1djm s ASP 64 Cb -0.09 -2.54 1.16 0.00 -0.34 0.00 0.00 42.92 41.10 1djm s ASP 64 CO 0.26 -3.28 1.95 1.23 0.68 0.00 0.00 175.17 176.01 1djm h GLY 65 N -1.99 0.00 1.65 2.12 0.00 -1.55 -0.13 103.07 103.18 1djm h GLY 65 Ca -0.45 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.63 1djm h GLY 65 CO 0.42 0.00 -1.09 -2.00 0.00 0.00 0.00 176.54 173.87 1djm h LEU 66 N 0.00 0.41 -0.43 3.11 7.12 -1.88 -1.64 115.31 122.01 1djm h LEU 66 Ca -0.00 -0.39 -0.17 0.00 0.13 0.00 0.00 57.88 57.45 1djm h LEU 66 Cb 0.53 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1djm h LEU 66 CO 0.03 1.25 -0.56 -0.33 -0.13 0.00 0.00 178.44 178.70 1djm h GLU 67 N 0.12 0.67 0.04 1.25 4.39 -1.67 0.86 114.58 120.24 1djm h GLU 67 Ca -0.10 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1djm h GLU 67 Cb 1.78 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1djm h GLU 67 CO 0.18 1.05 -0.04 1.25 -1.16 0.00 0.00 179.01 180.29 1djm h LEU 68 N 0.51 -0.11 0.24 1.33 5.85 -1.06 0.26 115.31 122.34 1djm h LEU 68 Ca 0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1djm h LEU 68 Cb 1.13 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1djm h LEU 68 CO 0.11 -0.07 -0.47 0.25 -0.34 0.00 0.00 178.44 177.93 1djm h LEU 69 N -0.09 -1.37 -2.23 2.25 5.85 -1.25 -1.71 115.31 116.76 1djm h LEU 69 Ca 0.00 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1djm h LEU 69 Cb 0.09 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1djm h LEU 69 CO -0.01 -0.54 -0.04 0.11 -0.34 0.00 0.00 178.44 177.62 1djm h LYS 70 N -0.77 0.00 -0.09 1.25 1.57 -0.66 0.18 116.57 118.05 1djm h LYS 70 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1djm h LYS 70 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1djm h LYS 70 CO -0.18 0.04 -0.01 1.15 -0.57 0.00 0.00 179.45 179.88 1djm h THR 71 N 0.00 1.27 -0.87 -0.16 2.02 -0.63 -1.94 112.91 112.60 1djm h THR 71 Ca -0.00 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1djm h THR 71 Cb 0.10 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1djm h THR 71 CO 0.01 0.25 0.53 0.40 0.37 0.00 0.00 175.52 177.07 1djm h ILE 72 N -0.13 1.24 0.00 3.11 2.04 -0.12 -1.01 117.51 122.64 1djm h ILE 72 Ca 0.03 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1djm h ILE 72 Cb 0.39 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1djm h ILE 72 CO 0.01 0.25 0.00 0.54 0.00 0.00 0.00 178.15 178.95 1djm n ARG 73 N -4.41 0.44 0.04 2.37 5.12 0.46 -2.95 116.66 117.73 1djm n ARG 73 Ca 0.09 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.08 1djm n ARG 73 Cb 0.06 -1.29 0.31 0.00 -1.16 0.00 0.00 32.46 30.38 1djm n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djm n ALA 74 N -0.79 1.48 -1.02 7.54 0.00 -0.38 -4.99 120.51 122.36 1djm n ALA 74 Ca 0.06 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.61 1djm n ALA 74 Cb 0.03 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1djm n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1djm n ASP 75 N -1.72 -6.05 0.00 0.00 9.92 -1.15 -4.88 116.55 112.66 1djm n ASP 75 Ca 0.02 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 55.07 1djm n ASP 75 Cb 0.14 -2.21 0.00 0.00 -0.64 0.00 0.00 41.12 38.41 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1djm n GLY 76 N -2.28 1.89 1.01 0.44 0.00 -1.26 -4.26 105.19 100.73 1djm n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.80 1.18 4.61 0.00 -1.26 -4.93 120.51 122.91 1djm n ALA 77 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1djm n ALA 77 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1djm n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1djm n MET 78 N -2.20 0.57 -0.27 0.00 2.81 -1.26 -4.53 117.12 112.25 1djm n MET 78 Ca 0.00 -0.33 -0.01 0.00 -1.81 0.00 0.00 57.70 55.56 1djm n MET 78 Cb 0.00 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.05 1djm n MET 78 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1djm n SER 79 N -0.93 -0.45 0.19 7.83 3.41 -1.17 -0.96 113.62 121.54 1djm n SER 79 Ca 0.10 1.21 0.14 0.00 -0.26 0.00 0.00 58.87 60.05 1djm n SER 79 Cb 0.34 -0.28 0.64 0.00 -0.26 0.00 0.00 64.21 64.66 1djm n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djm h ALA 80 N 0.96 1.00 -2.30 7.33 0.00 -1.90 -3.44 119.26 120.91 1djm h ALA 80 Ca 0.24 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.60 1djm h ALA 80 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1djm h ALA 80 CO -0.69 0.00 1.01 -0.51 0.00 0.00 0.00 179.25 179.06 1djm s LEU 81 N -4.90 4.31 -0.44 0.00 1.43 -0.14 -4.97 118.68 113.98 1djm s LEU 81 Ca 0.00 2.19 -0.28 0.00 -1.03 0.00 0.00 54.13 55.01 1djm s LEU 81 Cb 0.08 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1djm s LEU 81 CO 0.33 -0.86 1.71 -2.16 0.23 0.00 0.00 176.35 175.60 1djm s PRO 82 N 3.47 3.19 0.10 1.29 0.04 -1.26 -4.95 135.00 136.87 1djm s PRO 82 Ca 0.70 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 1djm s PRO 82 Cb -0.33 -4.21 -0.05 0.00 0.04 0.00 0.00 34.50 29.95 1djm s PRO 82 CO 0.28 -2.05 0.96 0.14 0.04 0.00 0.00 177.00 176.37 1djm s VAL 83 N 7.13 4.55 -0.25 -0.36 -7.23 -1.26 -1.81 120.40 121.17 1djm s VAL 83 Ca 0.71 2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 62.93 1djm s VAL 83 Cb -0.17 -4.32 0.07 0.00 0.56 0.00 0.00 36.38 32.52 1djm s VAL 83 CO 0.29 0.30 0.04 -0.22 -0.31 0.00 0.00 175.10 175.20 1djm s LEU 84 N 0.11 1.89 -0.29 1.32 2.96 -0.38 -1.10 118.68 123.19 1djm s LEU 84 Ca 0.47 -1.21 -0.27 0.00 -0.22 0.00 0.00 54.13 52.91 1djm s LEU 84 Cb -0.23 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.65 1djm s LEU 84 CO 0.30 -0.33 0.97 -0.04 -1.32 0.00 0.00 176.35 175.93 1djm s MET 85 N 1.67 4.09 -0.26 1.98 -1.94 -0.71 -1.49 119.30 122.64 1djm s MET 85 Ca 0.02 1.00 -0.01 0.00 -1.71 0.00 0.00 55.69 54.99 1djm s MET 85 Cb -0.18 -3.70 0.08 0.00 2.01 0.00 0.00 34.83 33.04 1djm s MET 85 CO -0.14 -0.75 0.05 0.08 -0.01 0.00 0.00 175.02 174.25 1djm s VAL 86 N 3.30 0.96 0.26 -6.03 1.01 0.13 -0.19 120.40 119.84 1djm s VAL 86 Ca 0.41 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1djm s VAL 86 Cb -0.14 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1djm s VAL 86 CO 0.12 -0.42 0.33 0.28 0.00 0.00 0.00 175.10 175.41 1djm s THR 87 N 1.61 0.00 -0.91 3.92 -1.32 -0.75 -3.86 115.64 114.32 1djm s THR 87 Ca 0.03 -1.73 0.28 0.00 -1.21 0.00 0.00 61.69 59.06 1djm s THR 87 Cb -0.18 -2.43 0.22 0.00 -1.51 0.00 0.00 72.50 68.60 1djm s THR 87 CO -0.15 0.00 1.81 0.00 -2.21 0.00 0.00 174.62 174.07 1djm n ALA 88 N -0.40 2.47 -2.61 11.08 0.00 -1.26 -1.08 120.51 128.71 1djm n ALA 88 Ca 0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1djm n ALA 88 Cb 0.63 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.03 3.35 0.00 0.00 0.41 -1.26 -4.63 118.70 113.53 1djm s GLU 89 Ca 0.12 -0.24 0.22 0.00 -0.41 0.00 0.00 54.97 54.66 1djm s GLU 89 Cb 0.17 -4.00 0.71 0.00 -1.78 0.00 0.00 34.13 29.23 1djm s GLU 89 CO 0.57 -1.26 1.53 0.00 -0.49 0.00 0.00 175.26 175.61 1djm n ALA 90 N 6.94 2.51 -1.68 5.21 0.00 -1.26 -4.85 120.51 127.37 1djm n ALA 90 Ca 0.01 -0.58 -0.49 0.00 0.00 0.00 0.00 53.44 52.38 1djm n ALA 90 Cb 0.48 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1djm n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1djm n LYS 91 N 0.50 2.10 -0.23 0.00 4.81 -1.26 -4.86 118.16 119.22 1djm n LYS 91 Ca 0.17 0.77 -0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1djm n LYS 91 Cb 0.38 -2.60 0.11 0.00 0.02 0.00 0.00 35.03 32.94 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 8.99 0.59 -0.27 1.64 1.57 -2.00 0.05 116.57 127.15 1djm h LYS 92 Ca -0.48 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 1djm h LYS 92 Cb 1.28 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1djm h LYS 92 CO 0.95 0.39 -0.03 1.49 -0.57 0.00 0.00 179.45 181.68 1djm h GLU 93 N 0.61 0.41 -0.37 3.15 4.22 -1.99 -0.77 114.58 119.84 1djm h GLU 93 Ca 0.32 -0.08 0.03 0.00 0.08 0.00 0.00 59.36 59.70 1djm h GLU 93 Cb 0.28 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1djm h GLU 93 CO -0.23 0.46 0.18 -0.91 -2.18 0.00 0.00 179.01 176.33 1djm h ASN 94 N 0.39 0.25 -0.52 1.04 4.21 -1.38 0.19 115.58 119.75 1djm h ASN 94 Ca 0.09 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.64 1djm h ASN 94 Cb 0.31 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 1djm h ASN 94 CO 0.01 0.19 0.31 0.40 -1.29 0.00 0.00 177.43 177.05 1djm h ILE 95 N 0.36 1.05 0.67 2.81 5.03 -0.36 -0.48 117.51 126.59 1djm h ILE 95 Ca 0.16 -0.21 -0.03 0.00 -0.12 0.00 0.00 64.86 64.65 1djm h ILE 95 Cb 0.07 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 34.25 1djm h ILE 95 CO -0.12 0.11 -0.34 0.40 -0.68 0.00 0.00 178.15 177.53 1djm h ILE 96 N 0.61 0.31 -0.65 -0.67 5.03 -0.65 -1.63 117.51 119.88 1djm h ILE 96 Ca 0.21 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 65.08 1djm h ILE 96 Cb 0.03 0.31 -0.09 0.00 -3.03 0.00 0.00 36.82 34.04 1djm h ILE 96 CO -0.10 0.00 0.14 0.00 -0.68 0.00 0.00 178.15 177.51 1djm h ALA 97 N -0.60 0.78 0.08 1.87 0.00 -0.43 0.21 119.26 121.17 1djm h ALA 97 Ca -0.09 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1djm h ALA 97 Cb 0.71 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1djm h ALA 97 CO 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.04 1djm h ALA 98 N 1.53 -0.11 -0.52 0.00 0.00 -1.02 0.19 119.26 119.33 1djm h ALA 98 Ca 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1djm h ALA 98 Cb 0.55 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1djm h ALA 98 CO -0.45 -0.54 0.31 0.00 0.00 0.00 0.00 179.25 178.58 1djm h ALA 99 N 0.76 0.66 -0.32 0.00 0.00 -0.24 -0.14 119.26 120.00 1djm h ALA 99 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1djm h ALA 99 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1djm h ALA 99 CO 0.02 0.15 0.17 1.96 0.00 0.00 0.00 179.25 181.55 1djm h GLN 100 N 0.70 0.44 0.00 0.00 1.08 -0.54 -1.79 115.11 115.00 1djm h GLN 100 Ca 0.19 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1djm h GLN 100 Cb -0.01 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1djm h GLN 100 CO -0.03 0.39 0.00 0.00 -0.95 0.00 0.00 178.83 178.23 1djm h ALA 101 N 1.03 1.00 -0.27 3.87 0.00 -0.42 -3.46 119.26 121.00 1djm h ALA 101 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1djm h ALA 101 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1djm h ALA 101 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1djm n GLY 102 N -0.86 0.83 3.77 0.00 0.00 -0.67 -4.88 105.19 103.37 1djm n GLY 102 Ca -0.01 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.27 3.25 -0.61 4.61 0.00 -0.14 -4.89 121.76 121.71 1djm s ALA 103 Ca 0.00 1.50 0.24 0.00 0.00 0.00 0.00 51.96 53.69 1djm s ALA 103 Cb 0.00 -3.60 0.92 0.00 0.00 0.00 0.00 23.12 20.44 1djm s ALA 103 CO 0.00 -1.23 1.72 -1.13 0.00 0.00 0.00 175.76 175.12 1djm n SER 104 N -0.21 0.63 0.00 0.00 3.41 -0.26 -4.80 113.62 112.38 1djm n SER 104 Ca 0.05 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1djm n SER 104 Cb 0.41 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.39 0.55 2.99 5.00 0.00 -1.24 -4.81 105.19 108.07 1djm n GLY 105 Ca 0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 0.47 -0.03 1.61 6.14 -1.26 -1.73 117.35 120.56 1djm s TYR 106 Ca 0.00 -0.27 -0.02 0.00 0.64 0.00 0.00 57.07 57.41 1djm s TYR 106 Cb 0.00 -0.30 0.01 0.00 0.42 0.00 0.00 41.96 42.09 1djm s TYR 106 CO 0.00 -0.05 0.07 0.08 0.64 0.00 0.00 175.55 176.29 1djm s VAL 107 N -0.70 0.00 0.04 3.14 1.01 0.74 -4.95 120.40 119.69 1djm s VAL 107 Ca -0.04 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1djm s VAL 107 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1djm s VAL 107 CO -0.00 -0.01 -0.22 -0.69 0.00 0.00 0.00 175.10 174.17 1djm s VAL 108 N -0.00 1.81 0.59 2.92 1.01 -1.26 -1.81 120.40 123.65 1djm s VAL 108 Ca -0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.54 1djm s VAL 108 Cb -0.01 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1djm s VAL 108 CO 0.00 0.26 0.93 2.29 0.00 0.00 0.00 175.10 178.58 1djm n LYS 109 N 1.84 0.88 -2.57 2.72 -0.00 -0.24 -3.85 118.16 116.94 1djm n LYS 109 Ca -0.17 0.34 -0.40 0.00 -0.00 0.00 0.00 58.31 58.08 1djm n LYS 109 Cb 0.53 -2.12 -0.05 0.00 -0.00 0.00 0.00 35.03 33.39 1djm n LYS 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1djm s PRO 110 N -2.67 4.66 0.21 -1.58 0.04 -1.26 -4.99 135.00 129.41 1djm s PRO 110 Ca 0.75 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.48 1djm s PRO 110 Cb -0.42 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1djm s PRO 110 CO 0.48 0.27 0.05 -0.59 0.04 0.00 0.00 177.00 177.25 1djm s PHE 111 N -1.23 1.37 0.27 0.56 -0.12 -1.25 -5.14 117.98 112.43 1djm s PHE 111 Ca 0.45 -1.10 0.02 0.00 -0.05 0.00 0.00 56.93 56.25 1djm s PHE 111 Cb -0.29 -0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 41.27 1djm s PHE 111 CO 0.37 -0.28 0.15 0.95 -0.05 0.00 0.00 175.22 176.36 1djm s THR 112 N -3.71 0.24 0.44 -4.49 -4.23 -1.26 -5.03 115.64 97.60 1djm s THR 112 Ca 0.31 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.97 1djm s THR 112 Cb 0.07 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.72 1djm s THR 112 CO 0.09 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.14 1djm h ALA 113 N 2.36 2.07 0.03 3.99 0.00 -1.98 -0.63 119.26 125.09 1djm h ALA 113 Ca -0.34 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1djm h ALA 113 Cb 1.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1djm h ALA 113 CO 0.52 -0.22 -0.28 0.00 0.00 0.00 0.00 179.25 179.28 1djm h ALA 114 N 1.69 -0.40 0.01 0.00 0.00 -1.96 0.13 119.26 118.72 1djm h ALA 114 Ca 0.29 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1djm h ALA 114 Cb 0.64 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1djm h ALA 114 CO -0.08 -0.79 -0.87 0.00 0.00 0.00 0.00 179.25 177.51 1djm h THR 115 N -0.43 1.53 0.28 0.00 1.03 -1.83 -2.31 112.91 111.18 1djm h THR 115 Ca 0.06 -2.71 0.00 0.00 -0.01 0.00 0.00 66.41 63.75 1djm h THR 115 Cb 0.51 2.50 -0.03 0.00 -1.07 0.00 0.00 68.15 70.06 1djm h THR 115 CO -0.22 0.78 -0.35 0.25 -0.01 0.00 0.00 175.52 175.97 1djm h LEU 116 N 0.07 -0.98 -1.95 0.00 7.12 -0.80 -1.12 115.31 117.65 1djm h LEU 116 Ca -0.03 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1djm h LEU 116 Cb 1.50 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 41.98 1djm h LEU 116 CO 0.13 -0.48 -0.04 1.05 -0.13 0.00 0.00 178.44 178.97 1djm h GLU 117 N -0.68 0.00 -0.09 1.25 4.11 -0.78 -0.51 114.58 117.87 1djm h GLU 117 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1djm h GLU 117 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1djm h GLU 117 CO -0.11 0.04 -0.05 1.49 0.07 0.00 0.00 179.01 180.45 1djm h GLU 118 N 0.00 0.20 -0.37 1.06 4.81 -0.75 0.96 114.58 120.49 1djm h GLU 118 Ca -0.00 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 1djm h GLU 118 Cb 0.35 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1djm h GLU 118 CO 0.00 0.57 -0.32 0.87 -0.73 0.00 0.00 179.01 179.40 1djm h LYS 119 N -0.17 0.82 0.29 1.92 1.79 -0.72 -1.51 116.57 118.99 1djm h LYS 119 Ca 0.02 -0.39 -0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1djm h LYS 119 Cb 0.51 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1djm h LYS 119 CO 0.01 1.02 -0.24 -0.07 -1.08 0.00 0.00 179.45 179.09 1djm h LEU 120 N 0.69 -0.64 -1.43 2.94 3.38 -1.09 -1.57 115.31 117.59 1djm h LEU 120 Ca 0.07 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1djm h LEU 120 Cb 0.87 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1djm h LEU 120 CO 0.08 -0.36 -0.27 -1.13 0.09 0.00 0.00 178.44 176.84 1djm h ASN 121 N -0.54 0.02 0.43 -0.43 -0.73 -0.74 0.19 115.58 113.77 1djm h ASN 121 Ca -0.02 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1djm h ASN 121 Cb 0.49 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 1djm h ASN 121 CO -0.03 0.29 -0.43 0.11 -0.37 0.00 0.00 177.43 177.00 1djm h LYS 122 N 0.02 -0.84 0.00 6.67 1.57 -1.03 -1.78 116.57 121.17 1djm h LYS 122 Ca 0.00 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1djm h LYS 122 Cb 0.49 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1djm h LYS 122 CO 0.04 -0.56 -0.11 -0.84 -0.57 0.00 0.00 179.45 177.41 1djm h ILE 123 N -0.88 0.35 0.38 1.86 3.07 -0.21 0.21 117.51 122.29 1djm h ILE 123 Ca -0.04 -0.65 -0.02 0.00 1.55 0.00 0.00 64.86 65.70 1djm h ILE 123 Cb 0.78 1.48 -0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1djm h ILE 123 CO -0.07 0.10 -0.24 -0.26 -1.05 0.00 0.00 178.15 176.64 1djm h PHE 124 N 0.00 -0.64 0.00 0.16 0.04 -0.52 -1.55 116.94 114.43 1djm h PHE 124 Ca -0.00 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1djm h PHE 124 Cb 0.47 0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 1djm h PHE 124 CO 0.00 -0.35 -0.82 0.93 -0.60 0.00 0.00 178.31 177.46 1djm h GLU 125 N -0.58 0.04 0.08 1.51 5.08 -0.96 0.75 114.58 120.51 1djm h GLU 125 Ca -0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1djm h GLU 125 Cb 0.47 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1djm h GLU 125 CO 0.05 0.84 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.64 1djm h LYS 126 N 0.02 -0.10 0.03 2.33 3.64 -0.69 -3.38 116.57 118.42 1djm h LYS 126 Ca -0.02 0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 1djm h LYS 126 Cb 1.44 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 1djm h LYS 126 CO 0.11 -0.07 -1.01 -0.07 -2.27 0.00 0.00 179.45 176.15 1djm h LEU 127 N -0.21 0.14 0.00 5.20 3.38 -1.50 -3.48 115.31 118.84 1djm h LEU 127 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1djm h LEU 127 Cb 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1djm h LEU 127 CO 0.02 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.21 1djm n GLY 128 N 1.23 1.68 0.00 0.83 0.00 0.23 -5.04 105.19 104.12 1djm n GLY 128 Ca -0.03 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35