#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm n ALA 2 N 0.00 -0.28 -3.17 -5.12 0.00 -1.26 -5.04 120.51 105.64 1djm n ALA 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1djm n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1djm n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1djm n ASP 3 N -1.87 -0.11 -0.05 0.00 8.00 -1.26 -4.99 116.55 116.27 1djm n ASP 3 Ca 0.00 -1.30 0.16 0.00 0.71 0.00 0.00 54.79 54.36 1djm n ASP 3 Cb 0.00 0.25 0.59 0.00 -0.02 0.00 0.00 41.12 41.93 1djm n ASP 3 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1djm h LYS 4 N 0.00 0.21 -6.32 -1.24 1.79 -2.00 -3.46 116.57 105.56 1djm h LYS 4 Ca -0.03 -0.01 -0.47 0.00 -2.18 0.00 0.00 60.65 57.96 1djm h LYS 4 Cb 0.17 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1djm h LYS 4 CO 0.05 0.14 -0.82 0.39 -1.08 0.00 0.00 179.45 178.13 1djm n GLU 5 N -4.44 -4.53 -1.60 3.15 1.02 -1.26 -4.82 120.64 108.16 1djm n GLU 5 Ca 0.10 0.54 -0.57 0.00 -0.02 0.00 0.00 57.16 57.21 1djm n GLU 5 Cb 0.49 -5.10 -0.07 0.00 -0.02 0.00 0.00 31.44 26.73 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 -4.44 1.20 -4.72 -4.62 0.00 -1.26 -4.90 117.00 98.26 1djm n LEU 6 Ca -0.17 1.13 -0.40 0.00 0.00 0.00 0.00 56.01 56.57 1djm n LEU 6 Cb 0.62 -1.06 -0.04 0.00 0.00 0.00 0.00 43.42 42.93 1djm n LEU 6 CO 0.74 -1.19 0.51 -0.75 0.00 0.00 0.00 177.39 176.70 1djm s LYS 7 N 1.12 4.50 0.14 1.96 2.47 -0.25 -4.67 119.74 125.01 1djm s LYS 7 Ca 0.91 1.11 -0.26 0.00 -1.56 0.00 0.00 55.97 56.17 1djm s LYS 7 Cb -1.13 -3.43 -0.07 0.00 -1.46 0.00 0.00 37.83 31.74 1djm s LYS 7 CO 0.57 0.09 0.79 -0.06 0.16 0.00 0.00 175.35 176.91 1djm s PHE 8 N 0.60 3.87 -0.10 4.03 0.40 0.14 -2.22 117.98 124.70 1djm s PHE 8 Ca 0.42 1.62 -0.00 0.00 -0.60 0.00 0.00 56.93 58.37 1djm s PHE 8 Cb -0.20 -2.81 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1djm s PHE 8 CO 0.23 0.44 -0.08 -1.17 0.70 0.00 0.00 175.22 175.34 1djm s LEU 9 N -0.84 3.07 -0.10 -0.37 2.96 -0.23 -1.24 118.68 121.94 1djm s LEU 9 Ca 0.37 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1djm s LEU 9 Cb -0.23 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1djm s LEU 9 CO 0.26 0.28 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.80 1djm s VAL 10 N -0.31 0.97 -0.34 1.68 1.01 -0.59 -0.89 120.40 121.92 1djm s VAL 10 Ca 0.04 -0.29 0.14 0.00 0.00 0.00 0.00 61.98 61.88 1djm s VAL 10 Cb -0.13 -0.98 0.45 0.00 0.00 0.00 0.00 36.38 35.73 1djm s VAL 10 CO 0.02 0.35 1.03 0.52 0.00 0.00 0.00 175.10 177.03 1djm n VAL 11 N 4.67 1.54 -1.11 2.92 0.31 -0.11 -2.47 118.33 124.07 1djm n VAL 11 Ca -0.15 -3.66 -0.32 0.00 -0.01 0.00 0.00 64.34 60.19 1djm n VAL 11 Cb 0.50 0.06 0.12 0.00 -0.91 0.00 0.00 33.84 33.62 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 -3.36 3.74 0.25 4.52 1.01 -1.26 -1.68 116.67 119.89 1djm s ASP 12 Ca 0.35 2.19 0.04 0.00 0.71 0.00 0.00 52.55 55.84 1djm s ASP 12 Cb 0.42 -2.57 0.31 0.00 1.01 0.00 0.00 42.92 42.09 1djm s ASP 12 CO -0.04 -2.56 1.61 -2.24 0.21 0.00 0.00 175.17 172.16 1djm h ASP 13 N -1.07 0.33 -3.39 0.27 2.03 -1.87 -3.44 116.42 109.29 1djm h ASP 13 Ca -0.45 -0.16 -0.62 0.00 -0.73 0.00 0.00 57.03 55.07 1djm h ASP 13 Cb 1.27 -0.09 -0.16 0.00 -0.83 0.00 0.00 39.33 39.52 1djm h ASP 13 CO 0.47 0.78 -0.54 0.12 -1.03 0.00 0.00 179.24 179.03 1djm s PHE 14 N -3.99 3.28 0.12 4.15 5.36 -1.26 -5.01 117.98 120.63 1djm s PHE 14 Ca -0.05 0.11 -0.20 0.00 -0.96 0.00 0.00 56.93 55.82 1djm s PHE 14 Cb 0.12 -2.15 -0.08 0.00 -0.34 0.00 0.00 43.02 40.58 1djm s PHE 14 CO 0.79 0.11 1.75 0.77 -1.46 0.00 0.00 175.22 177.18 1djm h SER 15 N 7.03 0.06 0.24 6.13 0.02 -2.02 0.24 113.55 125.25 1djm h SER 15 Ca -0.38 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1djm h SER 15 Cb 1.17 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1djm h SER 15 CO 0.69 0.06 -0.06 0.74 -1.14 0.00 0.00 176.83 177.11 1djm h THR 16 N 0.12 0.46 -0.28 -2.27 2.02 -1.98 -0.64 112.91 110.34 1djm h THR 16 Ca 0.06 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1djm h THR 16 Cb 0.03 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1djm h THR 16 CO -0.06 0.06 -0.09 -0.03 0.37 0.00 0.00 175.52 175.77 1djm h MET 17 N 0.00 0.46 -0.34 6.66 -1.53 -1.35 -1.35 114.93 117.48 1djm h MET 17 Ca -0.00 -0.12 -0.11 0.00 -3.44 0.00 0.00 59.70 56.03 1djm h MET 17 Cb 0.20 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 1djm h MET 17 CO 0.01 0.56 -0.25 0.00 0.14 0.00 0.00 176.91 177.37 1djm h ARG 18 N 0.44 0.69 -0.21 0.39 -0.00 -0.97 0.20 114.38 114.92 1djm h ARG 18 Ca 0.09 -0.29 0.06 0.00 -0.50 0.00 0.00 59.98 59.34 1djm h ARG 18 Cb 0.43 -0.03 -0.07 0.00 0.00 0.00 0.00 29.97 30.31 1djm h ARG 18 CO 0.02 0.88 -0.23 0.00 0.00 0.00 0.00 179.97 180.64 1djm h ARG 19 N 0.60 -0.24 0.47 0.04 -0.00 -1.37 -1.17 114.38 112.71 1djm h ARG 19 Ca 0.08 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.56 1djm h ARG 19 Cb 0.75 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.77 1djm h ARG 19 CO 0.06 -0.16 -0.32 0.82 0.00 0.00 0.00 179.97 180.37 1djm h ILE 20 N -0.25 0.00 -0.60 2.04 5.03 -0.14 -1.21 117.51 122.38 1djm h ILE 20 Ca 0.13 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.97 1djm h ILE 20 Cb 0.45 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.16 1djm h ILE 20 CO -0.36 0.00 0.17 0.58 -0.68 0.00 0.00 178.15 177.86 1djm h VAL 21 N -0.74 0.70 -0.43 1.67 2.07 -0.57 0.16 116.25 119.09 1djm h VAL 21 Ca -0.06 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1djm h VAL 21 Cb 0.60 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1djm h VAL 21 CO 0.04 0.06 0.28 -0.09 0.02 0.00 0.00 177.57 177.88 1djm h ARG 22 N 0.32 0.55 -0.86 1.57 2.43 -1.21 -0.36 114.38 116.82 1djm h ARG 22 Ca 0.31 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1djm h ARG 22 Cb 0.43 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1djm h ARG 22 CO -0.36 0.37 0.46 -0.97 -1.51 0.00 0.00 179.97 177.95 1djm h ASN 23 N 0.57 1.08 -0.62 -3.80 -1.24 0.47 0.18 115.58 112.22 1djm h ASN 23 Ca 0.16 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 1djm h ASN 23 Cb -0.05 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.70 1djm h ASN 23 CO -0.05 0.88 0.15 -0.07 -1.29 0.00 0.00 177.43 177.05 1djm h LEU 24 N 1.21 0.95 -0.38 0.34 3.38 -0.55 -1.28 115.31 118.97 1djm h LEU 24 Ca 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1djm h LEU 24 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1djm h LEU 24 CO -0.05 0.93 0.20 -0.07 0.09 0.00 0.00 178.44 179.55 1djm h LEU 25 N 0.92 0.48 -0.84 1.67 3.38 -0.49 -3.11 115.31 117.31 1djm h LEU 25 Ca 0.20 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1djm h LEU 25 Cb 0.36 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1djm h LEU 25 CO 0.00 0.44 0.27 0.11 0.09 0.00 0.00 178.44 179.36 1djm h LYS 26 N 0.48 1.12 0.00 1.13 1.57 -0.37 0.32 116.57 120.82 1djm h LYS 26 Ca 0.13 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1djm h LYS 26 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1djm h LYS 26 CO -0.02 0.93 0.00 -0.85 -0.57 0.00 0.00 179.45 178.94 1djm n GLU 27 N -4.27 0.13 -0.18 3.15 0.28 -0.51 -4.21 120.64 115.03 1djm n GLU 27 Ca 0.06 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1djm n GLU 27 Cb 0.20 -1.73 0.00 0.00 1.43 0.00 0.00 31.44 31.34 1djm n GLU 27 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1djm n LEU 28 N -1.97 0.00 0.00 -1.84 -0.00 -1.17 -5.09 117.00 106.93 1djm n LEU 28 Ca 0.03 -0.66 0.00 0.00 -0.00 0.00 0.00 56.01 55.38 1djm n LEU 28 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1djm n LEU 28 CO 0.19 0.68 0.00 0.61 -0.00 0.00 0.00 177.39 178.87 1djm n GLY 29 N 0.00 0.55 3.47 1.47 0.00 0.97 -4.95 105.19 106.70 1djm n GLY 29 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1djm n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 30 N 0.06 0.93 0.43 1.61 0.08 -0.34 -4.96 117.98 115.79 1djm s PHE 30 Ca 0.00 -1.18 0.06 0.00 0.12 0.00 0.00 56.93 55.93 1djm s PHE 30 Cb 0.00 -0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.29 1djm s PHE 30 CO 0.00 -1.03 0.05 -0.80 -0.10 0.00 0.00 175.22 173.33 1djm s ASN 31 N -3.18 4.03 -0.03 1.36 -0.87 -1.26 -3.49 114.94 111.51 1djm s ASN 31 Ca 0.30 -1.37 -0.02 0.00 -1.57 0.00 0.00 52.86 50.21 1djm s ASN 31 Cb 0.01 -0.24 0.01 0.00 -0.02 0.00 0.00 41.25 41.00 1djm s ASN 31 CO 0.17 -0.55 0.03 -3.20 -2.57 0.00 0.00 177.10 170.98 1djm n ASN 32 N -1.08 -1.83 -4.41 -1.22 5.15 -1.26 -4.57 115.26 106.04 1djm n ASN 32 Ca -0.07 0.18 -0.26 0.00 -0.60 0.00 0.00 54.58 53.84 1djm n ASN 32 Cb 0.67 -1.59 -0.11 0.00 -0.53 0.00 0.00 39.78 38.22 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 -0.10 2.25 0.06 3.44 -7.23 -1.26 -0.69 120.40 116.86 1djm s VAL 33 Ca -0.04 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 1djm s VAL 33 Cb 0.00 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1djm s VAL 33 CO 0.11 -0.18 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.87 1djm s GLU 34 N -2.76 1.55 -0.45 4.82 0.41 -0.37 -4.93 118.70 116.96 1djm s GLU 34 Ca 0.20 -1.06 0.04 0.00 -0.41 0.00 0.00 54.97 53.74 1djm s GLU 34 Cb -0.07 -1.73 0.12 0.00 -1.78 0.00 0.00 34.13 30.67 1djm s GLU 34 CO 0.10 0.44 0.19 -1.21 -0.49 0.00 0.00 175.26 174.28 1djm s GLU 35 N -1.33 1.81 0.75 1.61 2.02 -1.26 -1.55 118.70 120.75 1djm s GLU 35 Ca 0.10 -2.34 -0.11 0.00 0.02 0.00 0.00 54.97 52.64 1djm s GLU 35 Cb -0.09 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.88 1djm s GLU 35 CO 0.02 -1.05 1.09 0.00 0.02 0.00 0.00 175.26 175.34 1djm s ALA 36 N 0.17 2.52 0.17 5.21 0.00 -1.03 -4.99 121.76 123.81 1djm s ALA 36 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1djm s ALA 36 Cb -0.23 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1djm s ALA 36 CO -0.03 -1.44 1.39 0.93 0.00 0.00 0.00 175.76 176.60 1djm h GLU 37 N -0.88 0.22 -1.26 0.00 4.39 -1.91 -3.44 114.58 111.69 1djm h GLU 37 Ca -0.46 -0.23 0.30 0.00 0.34 0.00 0.00 59.36 59.31 1djm h GLU 37 Cb 1.25 0.06 -0.19 0.00 -0.10 0.00 0.00 28.75 29.77 1djm h GLU 37 CO 0.60 0.95 0.90 0.34 -1.16 0.00 0.00 179.01 180.63 1djm s ASP 38 N -6.94 -0.07 0.33 1.42 2.15 -1.26 -4.90 116.67 107.40 1djm s ASP 38 Ca -0.03 -0.01 0.11 0.00 0.43 0.00 0.00 52.55 53.05 1djm s ASP 38 Cb 0.10 0.08 0.98 0.00 -0.30 0.00 0.00 42.92 43.78 1djm s ASP 38 CO 0.83 -0.13 1.69 1.23 -0.17 0.00 0.00 175.17 178.61 1djm h GLY 39 N 2.00 1.95 1.14 2.66 0.00 -1.93 0.30 103.07 109.19 1djm h GLY 39 Ca -0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1djm h GLY 39 CO 0.21 -0.38 0.03 -2.08 0.00 0.00 0.00 176.54 174.32 1djm h VAL 40 N 0.42 1.26 0.00 4.60 2.07 -1.96 -1.34 116.25 121.31 1djm h VAL 40 Ca 0.68 -1.11 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 1djm h VAL 40 Cb 1.44 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1djm h VAL 40 CO -0.55 0.40 -0.55 -0.78 0.02 0.00 0.00 177.57 176.11 1djm h ASP 41 N 0.96 0.00 0.14 0.57 3.58 -1.60 -2.82 116.42 117.25 1djm h ASP 41 Ca 0.18 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1djm h ASP 41 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1djm h ASP 41 CO 0.02 0.55 -0.07 0.00 -2.88 0.00 0.00 179.24 176.87 1djm h ALA 42 N 1.45 -0.19 -0.91 -0.78 0.00 0.40 0.20 119.26 119.43 1djm h ALA 42 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1djm h ALA 42 Cb 0.98 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1djm h ALA 42 CO 0.07 -0.57 0.59 1.25 0.00 0.00 0.00 179.25 180.59 1djm h LEU 43 N -0.25 0.97 -0.11 0.00 5.85 -1.27 0.08 115.31 120.59 1djm h LEU 43 Ca -0.02 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1djm h LEU 43 Cb 0.20 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1djm h LEU 43 CO 0.03 0.66 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.58 1djm h ASN 44 N 1.13 -0.26 -0.29 1.25 -0.73 -1.27 -1.86 115.58 113.56 1djm h ASN 44 Ca 0.37 0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.65 1djm h ASN 44 Cb 0.04 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 1djm h ASN 44 CO -0.13 -0.11 -0.04 0.11 -0.37 0.00 0.00 177.43 176.89 1djm h LYS 45 N -0.09 0.03 -0.75 6.67 6.56 0.18 -2.46 116.57 126.72 1djm h LYS 45 Ca 0.07 -0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.77 1djm h LYS 45 Cb 0.19 -0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 31.76 1djm h LYS 45 CO -0.16 0.02 0.36 -0.07 -2.06 0.00 0.00 179.45 177.53 1djm h LEU 46 N 0.03 0.43 -0.06 2.94 3.38 -0.67 -0.40 115.31 120.96 1djm h LEU 46 Ca 0.14 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1djm h LEU 46 Cb 0.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1djm h LEU 46 CO -0.27 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.48 1djm n GLN 47 N -4.90 0.48 0.00 1.13 6.02 -0.73 -1.08 117.38 118.30 1djm n GLN 47 Ca 0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 1djm n GLN 47 Cb 0.33 -1.01 0.21 0.00 1.02 0.00 0.00 30.24 30.79 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 -0.46 3.30 -0.45 -1.58 0.00 -0.16 -5.07 120.51 116.09 1djm n ALA 48 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 53.44 52.99 1djm n ALA 48 Cb 0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 1.37 -2.65 2.30 0.00 0.00 -0.24 -4.93 105.19 101.04 1djm n GLY 49 Ca 0.11 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.84 0.88 3.91 -0.02 0.00 -1.26 -4.94 105.19 100.92 1djm n GLY 50 Ca -0.02 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 3.49 0.00 1.61 1.51 -1.26 -1.09 117.35 119.16 1djm s TYR 51 Ca 0.00 0.67 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1djm s TYR 51 Cb 0.00 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1djm s TYR 51 CO 0.00 0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1djm n GLY 52 N -1.37 0.96 3.13 0.71 0.00 -0.94 -4.82 105.19 102.87 1djm n GLY 52 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.39 -0.45 1.61 0.08 -1.23 -4.38 117.98 113.23 1djm s PHE 53 Ca 0.00 0.90 0.03 0.00 0.12 0.00 0.00 56.93 57.98 1djm s PHE 53 Cb 0.00 0.11 0.15 0.00 -0.57 0.00 0.00 43.02 42.71 1djm s PHE 53 CO 0.00 -0.24 0.29 0.08 -0.10 0.00 0.00 175.22 175.25 1djm s VAL 54 N 1.04 1.05 -0.16 -0.44 1.01 -0.94 -1.06 120.40 120.90 1djm s VAL 54 Ca -0.07 -2.62 -0.12 0.00 0.00 0.00 0.00 61.98 59.17 1djm s VAL 54 Cb -0.08 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1djm s VAL 54 CO -0.08 -1.02 0.23 -0.63 0.00 0.00 0.00 175.10 173.60 1djm s ILE 55 N 0.20 5.35 -0.08 2.22 1.01 -0.07 -1.62 121.20 128.21 1djm s ILE 55 Ca 0.23 0.40 -0.17 0.00 0.00 0.00 0.00 60.65 61.11 1djm s ILE 55 Cb -0.14 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1djm s ILE 55 CO -0.07 0.44 0.41 -0.94 0.00 0.00 0.00 174.94 174.78 1djm s SER 56 N 0.19 -0.36 0.84 3.58 1.04 -0.68 -0.93 113.70 117.38 1djm s SER 56 Ca 0.14 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.96 1djm s SER 56 Cb -0.12 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1djm s SER 56 CO 0.02 -0.34 1.09 -0.62 0.98 0.00 0.00 173.24 174.38 1djm s ASP 57 N -0.63 3.91 -0.03 7.02 -1.08 -0.68 -1.41 116.67 123.78 1djm s ASP 57 Ca -0.07 1.71 -0.24 0.00 -0.52 0.00 0.00 52.55 53.43 1djm s ASP 57 Cb -0.04 -2.38 -0.18 0.00 -1.46 0.00 0.00 42.92 38.86 1djm s ASP 57 CO 0.03 -2.40 1.11 -0.25 0.52 0.00 0.00 175.17 174.19 1djm h TRP 58 N -1.38 -0.17 -0.98 -5.34 2.91 -1.92 -3.18 115.95 105.90 1djm h TRP 58 Ca -0.46 -0.00 -0.67 0.00 1.13 0.00 0.00 58.89 58.89 1djm h TRP 58 Cb 1.26 0.06 -0.09 0.00 -0.51 0.00 0.00 29.16 29.87 1djm h TRP 58 CO 0.51 0.27 2.01 -0.80 -1.03 0.00 0.00 178.44 179.40 1djm s ASN 59 N -5.46 6.77 0.65 2.65 0.02 -1.26 -1.09 114.94 117.21 1djm s ASN 59 Ca -0.14 -2.25 -0.05 0.00 -1.02 0.00 0.00 52.86 49.39 1djm s ASN 59 Cb 0.01 -2.57 0.04 0.00 0.02 0.00 0.00 41.25 38.76 1djm s ASN 59 CO 0.57 -1.23 0.94 -0.04 0.02 0.00 0.00 177.10 177.37 1djm s MET 60 N 4.28 2.44 0.00 -0.60 -1.94 -1.26 -4.74 119.30 117.47 1djm s MET 60 Ca 0.52 -0.28 0.28 0.00 -1.71 0.00 0.00 55.69 54.50 1djm s MET 60 Cb 0.03 -2.25 1.48 0.00 2.01 0.00 0.00 34.83 36.10 1djm s MET 60 CO 0.04 -1.01 1.97 -0.35 -0.01 0.00 0.00 175.02 175.66 1djm n PRO 61 N -2.74 1.23 0.00 2.03 -0.04 -1.26 -4.83 135.00 129.40 1djm n PRO 61 Ca 0.07 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1djm n PRO 61 Cb 0.60 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1djm n PRO 61 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1djm n ASN 62 N -0.56 0.00 -4.43 3.54 2.85 -1.26 -5.06 115.26 110.34 1djm n ASN 62 Ca 0.21 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.24 1djm n ASN 62 Cb 0.18 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.17 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 0.00 3.38 0.51 1.20 1.75 -1.26 -5.02 119.30 119.86 1djm s MET 63 Ca 0.00 -1.50 -0.19 0.00 -1.25 0.00 0.00 55.69 52.75 1djm s MET 63 Cb 0.00 -4.60 -0.11 0.00 2.84 0.00 0.00 34.83 32.96 1djm s MET 63 CO 0.00 -1.71 0.40 -3.47 -0.65 0.00 0.00 175.02 169.58 1djm n ASP 64 N 6.64 -1.54 -0.27 1.11 -0.08 -1.26 -3.88 116.55 117.26 1djm n ASP 64 Ca 0.10 0.77 0.17 0.00 -1.51 0.00 0.00 54.79 54.33 1djm n ASP 64 Cb 0.47 -1.09 0.47 0.00 2.34 0.00 0.00 41.12 43.31 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 0.34 1.07 1.68 0.27 0.00 -1.08 0.11 103.07 105.45 1djm h GLY 65 Ca -0.43 -0.23 -0.23 0.00 0.00 0.00 0.00 47.33 46.44 1djm h GLY 65 CO 0.47 -0.01 -1.01 -2.00 0.00 0.00 0.00 176.54 174.00 1djm h LEU 66 N 0.50 0.37 -0.41 3.11 7.12 -1.86 -1.67 115.31 122.48 1djm h LEU 66 Ca 0.49 -0.33 -0.08 0.00 0.13 0.00 0.00 57.88 58.09 1djm h LEU 66 Cb 1.09 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.09 1djm h LEU 66 CO -0.22 1.17 -0.05 -0.33 -0.13 0.00 0.00 178.44 178.89 1djm h GLU 67 N 0.13 0.75 -0.14 1.25 4.39 -1.39 0.10 114.58 119.67 1djm h GLU 67 Ca -0.08 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.37 1djm h GLU 67 Cb 1.68 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1djm h GLU 67 CO 0.16 0.86 0.06 1.25 -1.16 0.00 0.00 179.01 180.18 1djm h LEU 68 N 0.57 0.07 0.05 1.33 5.85 -1.03 0.17 115.31 122.32 1djm h LEU 68 Ca 0.11 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1djm h LEU 68 Cb 0.55 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1djm h LEU 68 CO 0.03 0.06 -0.39 0.25 -0.34 0.00 0.00 178.44 178.06 1djm h LEU 69 N 0.13 -1.15 -1.67 2.25 5.85 -1.20 -1.07 115.31 118.45 1djm h LEU 69 Ca 0.06 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1djm h LEU 69 Cb 0.02 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1djm h LEU 69 CO -0.05 -0.45 -0.19 0.11 -0.34 0.00 0.00 178.44 177.53 1djm h LYS 70 N -0.57 0.00 -0.06 1.25 1.57 -0.39 0.35 116.57 118.72 1djm h LYS 70 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1djm h LYS 70 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1djm h LYS 70 CO -0.27 0.19 0.01 1.15 -0.57 0.00 0.00 179.45 179.95 1djm h THR 71 N 0.00 1.22 -0.52 -0.16 2.02 -0.20 -1.93 112.91 113.34 1djm h THR 71 Ca -0.00 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1djm h THR 71 Cb 0.44 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1djm h THR 71 CO 0.02 0.18 0.29 0.40 0.37 0.00 0.00 175.52 176.79 1djm h ILE 72 N -0.14 1.17 0.00 3.11 2.04 -0.35 -2.63 117.51 120.70 1djm h ILE 72 Ca 0.02 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1djm h ILE 72 Cb 0.28 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1djm h ILE 72 CO 0.00 0.18 0.00 -1.14 0.00 0.00 0.00 178.15 177.19 1djm n ARG 73 N -4.65 0.85 0.16 2.37 0.00 0.12 -3.02 116.66 112.49 1djm n ARG 73 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.00 1djm n ARG 73 Cb 0.07 -1.01 0.56 0.00 0.00 0.00 0.00 32.46 32.08 1djm n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1djm h ALA 74 N 2.69 1.00 -2.87 5.13 0.00 -0.96 -3.47 119.26 120.78 1djm h ALA 74 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.19 1djm h ALA 74 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1djm h ALA 74 CO 0.00 0.00 -0.37 -3.47 0.00 0.00 0.00 179.25 175.41 1djm n ASP 75 N -2.34 -7.84 0.00 0.00 -0.08 -1.25 -4.87 116.55 100.17 1djm n ASP 75 Ca 0.01 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 1djm n ASP 75 Cb 0.17 -3.08 0.00 0.00 2.34 0.00 0.00 41.12 40.56 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1djm n GLY 76 N -2.98 1.56 3.52 0.27 0.00 -1.26 -4.83 105.19 101.48 1djm n GLY 76 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1djm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm s ALA 77 N 0.00 -0.56 0.00 4.61 0.00 -1.26 -5.04 121.76 119.51 1djm s ALA 77 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1djm s ALA 77 Cb 0.00 0.91 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1djm s ALA 77 CO 0.00 -0.80 0.00 -1.33 0.00 0.00 0.00 175.76 173.63 1djm n MET 78 N -0.33 0.00 0.30 0.00 2.81 -1.26 -4.60 117.12 114.04 1djm n MET 78 Ca -0.07 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 55.99 1djm n MET 78 Cb 0.62 -2.53 0.99 0.00 -0.71 0.00 0.00 33.22 31.59 1djm n MET 78 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1djm h SER 79 N 0.00 0.00 1.12 7.83 0.02 -1.89 -1.03 113.55 119.60 1djm h SER 79 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1djm h SER 79 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1djm h SER 79 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1djm h ALA 80 N 1.98 1.00 -2.41 3.77 0.00 -1.89 -3.46 119.26 118.25 1djm h ALA 80 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1djm h ALA 80 Cb 0.03 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.91 1djm h ALA 80 CO -0.00 0.00 0.64 1.28 0.00 0.00 0.00 179.25 181.17 1djm n LEU 81 N -2.35 3.32 -4.57 0.00 4.77 -0.39 -4.89 117.00 112.90 1djm n LEU 81 Ca 0.04 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.86 1djm n LEU 81 Cb 0.33 -1.46 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 1djm n LEU 81 CO 0.25 -0.40 1.44 -2.16 -1.33 0.00 0.00 177.39 175.19 1djm s PRO 82 N -0.58 2.78 0.28 3.23 0.04 -1.26 -4.80 135.00 134.68 1djm s PRO 82 Ca 0.66 -0.71 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 1djm s PRO 82 Cb -0.62 -5.18 -0.09 0.00 0.04 0.00 0.00 34.50 28.65 1djm s PRO 82 CO 0.51 -3.28 1.02 0.14 0.04 0.00 0.00 177.00 175.43 1djm s VAL 83 N 9.21 3.78 -0.08 -0.36 -7.23 -1.26 -2.21 120.40 122.26 1djm s VAL 83 Ca 0.65 1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 62.53 1djm s VAL 83 Cb -0.04 -4.08 0.03 0.00 0.56 0.00 0.00 36.38 32.86 1djm s VAL 83 CO 0.02 0.36 0.03 -0.22 -0.31 0.00 0.00 175.10 174.98 1djm s LEU 84 N -1.50 0.47 -0.05 1.32 2.96 -0.64 -1.15 118.68 120.10 1djm s LEU 84 Ca 0.45 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 1djm s LEU 84 Cb -0.28 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1djm s LEU 84 CO 0.35 -0.23 1.07 -0.04 -1.32 0.00 0.00 176.35 176.18 1djm s MET 85 N 2.04 4.44 -0.18 1.98 -1.94 -0.75 -1.68 119.30 123.21 1djm s MET 85 Ca 0.04 1.51 -0.04 0.00 -1.71 0.00 0.00 55.69 55.49 1djm s MET 85 Cb -0.13 -3.50 0.06 0.00 2.01 0.00 0.00 34.83 33.27 1djm s MET 85 CO -0.05 -0.27 0.05 0.08 -0.01 0.00 0.00 175.02 174.82 1djm s VAL 86 N 1.71 0.29 0.29 -6.03 1.01 -0.50 -0.46 120.40 116.70 1djm s VAL 86 Ca 0.52 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 1djm s VAL 86 Cb -0.22 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1djm s VAL 86 CO 0.23 -0.22 0.61 0.28 0.00 0.00 0.00 175.10 176.00 1djm s THR 87 N 1.97 0.00 0.21 3.92 -1.32 -0.97 -3.44 115.64 116.00 1djm s THR 87 Ca 0.00 -1.21 0.14 0.00 -1.21 0.00 0.00 61.69 59.41 1djm s THR 87 Cb -0.16 -2.28 0.04 0.00 -1.51 0.00 0.00 72.50 68.59 1djm s THR 87 CO -0.08 0.00 1.65 0.00 -2.21 0.00 0.00 174.62 173.98 1djm h ALA 88 N 2.11 0.96 -0.99 11.08 0.00 -1.93 -0.01 119.26 130.48 1djm h ALA 88 Ca -0.25 -0.47 -0.38 0.00 0.00 0.00 0.00 54.91 53.81 1djm h ALA 88 Cb 1.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1djm h ALA 88 CO 0.32 0.65 0.98 -1.21 0.00 0.00 0.00 179.25 179.99 1djm s GLU 89 N -3.57 2.66 0.00 0.00 0.41 -1.26 -4.54 118.70 112.41 1djm s GLU 89 Ca -0.00 -0.08 0.12 0.00 -0.41 0.00 0.00 54.97 54.60 1djm s GLU 89 Cb 0.12 -4.85 0.73 0.00 -1.78 0.00 0.00 34.13 28.34 1djm s GLU 89 CO 0.73 -3.07 1.25 0.00 -0.49 0.00 0.00 175.26 173.67 1djm n ALA 90 N 13.14 2.27 -1.42 5.21 0.00 -1.26 -4.88 120.51 133.56 1djm n ALA 90 Ca 0.33 -0.08 -0.48 0.00 0.00 0.00 0.00 53.44 53.21 1djm n ALA 90 Cb 0.49 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.77 0.39 -0.29 0.00 3.00 -1.26 -4.80 118.16 114.43 1djm n LYS 91 Ca 0.09 0.07 0.08 0.00 -0.00 0.00 0.00 58.31 58.56 1djm n LYS 91 Cb 0.04 -1.98 0.24 0.00 0.00 0.00 0.00 35.03 33.33 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 12.21 0.49 -0.86 1.64 1.57 -1.99 0.18 116.57 129.80 1djm h LYS 92 Ca -0.14 -0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.80 1djm h LYS 92 Cb 1.34 -0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.42 1djm h LYS 92 CO 1.19 0.32 0.38 1.49 -0.57 0.00 0.00 179.45 182.26 1djm h GLU 93 N 0.50 0.43 -0.36 3.15 4.81 -1.99 0.11 114.58 121.23 1djm h GLU 93 Ca 0.48 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.54 1djm h GLU 93 Cb 0.77 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1djm h GLU 93 CO -0.43 0.29 -0.33 -0.91 -0.73 0.00 0.00 179.01 176.90 1djm h ASN 94 N 0.45 0.92 -0.52 1.04 4.21 -1.05 -0.73 115.58 119.89 1djm h ASN 94 Ca 0.52 -0.46 0.07 0.00 1.21 0.00 0.00 56.30 57.64 1djm h ASN 94 Cb 0.91 -0.26 -0.06 0.00 -1.12 0.00 0.00 38.32 37.79 1djm h ASN 94 CO -0.48 1.19 0.19 0.40 -1.29 0.00 0.00 177.43 177.43 1djm h ILE 95 N 0.67 0.81 0.36 2.81 5.03 -0.12 0.11 117.51 127.18 1djm h ILE 95 Ca 0.06 -0.12 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1djm h ILE 95 Cb 0.92 0.42 -0.02 0.00 -3.03 0.00 0.00 36.82 35.11 1djm h ILE 95 CO 0.08 0.07 -0.32 0.40 -0.68 0.00 0.00 178.15 177.70 1djm h ILE 96 N 0.36 0.34 -0.79 -0.67 5.03 -0.64 -1.64 117.51 119.50 1djm h ILE 96 Ca 0.25 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 65.07 1djm h ILE 96 Cb 0.28 0.34 -0.07 0.00 -3.03 0.00 0.00 36.82 34.34 1djm h ILE 96 CO -0.26 0.00 0.45 0.00 -0.68 0.00 0.00 178.15 177.66 1djm h ALA 97 N -0.19 1.10 0.25 1.87 0.00 -0.58 0.20 119.26 121.91 1djm h ALA 97 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1djm h ALA 97 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1djm h ALA 97 CO -0.03 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 1djm h ALA 98 N 1.42 -0.35 -0.71 0.00 0.00 -0.69 0.53 119.26 119.46 1djm h ALA 98 Ca 0.37 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1djm h ALA 98 Cb 0.28 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1djm h ALA 98 CO -0.22 -0.70 0.44 0.00 0.00 0.00 0.00 179.25 178.78 1djm h ALA 99 N 0.40 0.90 0.26 0.00 0.00 -0.48 0.86 119.26 121.20 1djm h ALA 99 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1djm h ALA 99 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1djm h ALA 99 CO 0.05 0.36 -0.21 1.96 0.00 0.00 0.00 179.25 181.41 1djm h GLN 100 N 0.97 -0.46 -0.86 0.00 1.08 -0.45 -2.26 115.11 113.13 1djm h GLN 100 Ca 0.26 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.52 1djm h GLN 100 Cb -0.05 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1djm h GLN 100 CO -0.05 -0.31 0.56 0.00 -0.95 0.00 0.00 178.83 178.09 1djm h ALA 101 N 0.21 1.47 0.00 3.87 0.00 -0.73 -3.47 119.26 120.61 1djm h ALA 101 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1djm h ALA 101 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1djm h ALA 101 CO -0.01 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1djm n GLY 102 N -1.41 1.98 3.69 0.00 0.00 -0.02 -5.00 105.19 104.44 1djm n GLY 102 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 103 N -0.41 0.78 0.32 4.61 0.00 0.09 -4.90 120.51 121.00 1djm n ALA 103 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1djm n ALA 103 Cb 0.00 -2.25 0.53 0.00 0.00 0.00 0.00 19.45 17.73 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 0.45 0.00 0.00 0.00 4.64 -1.44 -3.45 113.55 113.74 1djm h SER 104 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1djm h SER 104 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1djm h SER 104 CO 0.52 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 1djm n GLY 105 N 0.33 0.04 3.02 -0.77 0.00 -1.24 -4.83 105.19 101.74 1djm n GLY 105 Ca 0.02 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 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 0.85 -0.02 1.61 6.14 -1.26 -1.81 117.35 120.86 1djm s TYR 106 Ca 0.00 -0.17 0.02 0.00 0.64 0.00 0.00 57.07 57.57 1djm s TYR 106 Cb 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 41.96 41.83 1djm s TYR 106 CO 0.00 -0.02 -0.08 0.08 0.64 0.00 0.00 175.55 176.17 1djm s VAL 107 N -0.17 0.68 0.16 3.14 1.01 0.39 -4.95 120.40 120.66 1djm s VAL 107 Ca 0.03 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1djm s VAL 107 Cb -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1djm s VAL 107 CO -0.00 0.21 -0.23 -0.69 0.00 0.00 0.00 175.10 174.38 1djm s VAL 108 N 0.06 2.16 0.62 2.92 1.01 -1.26 -2.29 120.40 123.62 1djm s VAL 108 Ca -0.01 -1.89 -0.19 0.00 0.00 0.00 0.00 61.98 59.89 1djm s VAL 108 Cb -0.06 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1djm s VAL 108 CO 0.00 -0.10 1.27 -0.54 0.00 0.00 0.00 175.10 175.73 1djm s LYS 109 N -2.46 2.77 0.02 2.72 1.02 -0.02 -2.99 119.74 120.80 1djm s LYS 109 Ca 0.17 1.99 -0.30 0.00 0.02 0.00 0.00 55.97 57.84 1djm s LYS 109 Cb -0.08 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1djm s LYS 109 CO 0.08 -1.41 1.25 -1.25 -0.92 0.00 0.00 175.35 173.10 1djm s PRO 110 N -3.31 4.37 0.22 -1.68 0.04 -1.26 -4.97 135.00 128.41 1djm s PRO 110 Ca 0.80 1.79 0.11 0.00 0.04 0.00 0.00 61.00 63.74 1djm s PRO 110 Cb -0.35 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1djm s PRO 110 CO 0.38 -0.39 -0.17 -0.59 0.04 0.00 0.00 177.00 176.28 1djm s PHE 111 N 1.67 2.43 0.34 0.56 -0.12 -1.16 -5.09 117.98 116.61 1djm s PHE 111 Ca 0.59 -0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 57.17 1djm s PHE 111 Cb -0.29 -1.15 -0.00 0.00 -0.63 0.00 0.00 43.02 40.95 1djm s PHE 111 CO 0.26 0.57 0.43 0.95 -0.05 0.00 0.00 175.22 177.39 1djm s THR 112 N -1.95 0.00 0.42 -4.49 -4.23 -1.26 -5.03 115.64 99.10 1djm s THR 112 Ca 0.25 -1.69 0.26 0.00 -1.18 0.00 0.00 61.69 59.33 1djm s THR 112 Cb -0.07 -2.62 0.28 0.00 1.34 0.00 0.00 72.50 71.43 1djm s THR 112 CO 0.14 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.28 1djm h ALA 113 N 2.11 1.34 -0.96 3.99 0.00 -1.98 -0.75 119.26 123.00 1djm h ALA 113 Ca -0.28 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.66 1djm h ALA 113 Cb 1.24 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1djm h ALA 113 CO 0.38 0.16 0.61 0.00 0.00 0.00 0.00 179.25 180.40 1djm h ALA 114 N 1.87 1.68 0.03 0.00 0.00 -1.96 0.96 119.26 121.85 1djm h ALA 114 Ca -0.00 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 1djm h ALA 114 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1djm h ALA 114 CO 0.02 0.05 -1.53 0.00 0.00 0.00 0.00 179.25 177.78 1djm h THR 115 N 0.83 1.09 -0.30 0.00 1.03 -1.59 -3.25 112.91 110.73 1djm h THR 115 Ca 0.50 -2.86 0.05 0.00 -0.01 0.00 0.00 66.41 64.08 1djm h THR 115 Cb 0.67 2.59 -0.04 0.00 -1.07 0.00 0.00 68.15 70.30 1djm h THR 115 CO -0.26 0.69 0.04 0.25 -0.01 0.00 0.00 175.52 176.23 1djm h LEU 116 N 0.02 -0.04 -1.20 0.00 7.12 -0.18 0.11 115.31 121.14 1djm h LEU 116 Ca -0.22 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 1djm h LEU 116 Cb 1.96 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 42.15 1djm h LEU 116 CO 0.11 0.02 0.20 1.05 -0.13 0.00 0.00 178.44 179.68 1djm h GLU 117 N 0.14 0.76 -0.18 1.25 4.11 -1.02 -0.59 114.58 119.04 1djm h GLU 117 Ca 0.14 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 1djm h GLU 117 Cb 0.16 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1djm h GLU 117 CO -0.20 0.63 -0.01 1.49 0.07 0.00 0.00 179.01 180.99 1djm h GLU 118 N 0.75 0.33 -0.37 1.06 4.81 -1.26 0.20 114.58 120.10 1djm h GLU 118 Ca 0.18 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1djm h GLU 118 Cb 0.17 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1djm h GLU 118 CO -0.02 0.54 0.09 0.87 -0.73 0.00 0.00 179.01 179.77 1djm h LYS 119 N 0.07 0.58 0.02 1.92 6.56 -0.62 0.10 116.57 125.21 1djm h LYS 119 Ca 0.05 -0.14 0.03 0.00 -1.06 0.00 0.00 60.65 59.53 1djm h LYS 119 Cb 0.40 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 1djm h LYS 119 CO 0.01 0.62 -0.22 -0.07 -2.06 0.00 0.00 179.45 177.73 1djm h LEU 120 N 0.44 -0.64 -0.50 2.94 3.38 -1.03 -1.74 115.31 118.16 1djm h LEU 120 Ca 0.12 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1djm h LEU 120 Cb 0.30 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1djm h LEU 120 CO 0.00 -0.29 0.24 -1.13 0.09 0.00 0.00 178.44 177.35 1djm h ASN 121 N -0.36 0.33 0.07 -0.43 -1.24 -0.27 0.12 115.58 113.80 1djm h ASN 121 Ca 0.05 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.12 1djm h ASN 121 Cb 0.43 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 1djm h ASN 121 CO -0.19 0.23 -0.35 0.11 -1.29 0.00 0.00 177.43 175.95 1djm h LYS 122 N 0.47 -0.52 0.00 6.67 6.56 -0.60 -1.23 116.57 127.91 1djm h LYS 122 Ca 0.22 0.04 -0.13 0.00 -1.06 0.00 0.00 60.65 59.72 1djm h LYS 122 Cb 0.15 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.91 1djm h LYS 122 CO -0.17 -0.35 -0.61 -0.84 -2.06 0.00 0.00 179.45 175.42 1djm h ILE 123 N -0.54 1.22 0.47 1.86 3.07 -0.62 0.29 117.51 123.25 1djm h ILE 123 Ca 0.04 -2.28 -0.01 0.00 1.55 0.00 0.00 64.86 64.16 1djm h ILE 123 Cb 0.60 2.31 -0.02 0.00 -0.27 0.00 0.00 36.82 39.43 1djm h ILE 123 CO -0.24 0.60 -0.50 -0.26 -1.05 0.00 0.00 178.15 176.71 1djm h PHE 124 N 0.00 -1.38 0.17 0.16 0.04 -0.70 -0.97 116.94 114.25 1djm h PHE 124 Ca -0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1djm h PHE 124 Cb 1.26 0.54 0.00 0.00 2.20 0.00 0.00 35.95 39.95 1djm h PHE 124 CO 0.00 -0.65 -0.08 0.93 -0.60 0.00 0.00 178.31 177.90 1djm h GLU 125 N -0.97 -0.22 0.19 1.51 4.39 -0.95 -2.12 114.58 116.40 1djm h GLU 125 Ca -0.06 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1djm h GLU 125 Cb 0.85 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1djm h GLU 125 CO -0.08 0.11 -0.09 -0.22 -1.16 0.00 0.00 179.01 177.57 1djm h LYS 126 N -0.57 -0.24 -0.09 2.33 3.64 -0.51 -3.29 116.57 117.85 1djm h LYS 126 Ca -0.02 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1djm h LYS 126 Cb 0.43 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1djm h LYS 126 CO 0.04 -0.16 -0.42 -0.07 -2.27 0.00 0.00 179.45 176.57 1djm h LEU 127 N -1.02 0.22 -1.01 5.20 3.38 -1.58 -3.47 115.31 117.02 1djm h LEU 127 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1djm h LEU 127 Cb 0.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1djm h LEU 127 CO 0.04 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.80 1djm n GLY 128 N -0.17 0.74 0.00 0.83 0.00 -0.85 -5.05 105.19 100.69 1djm n GLY 128 Ca -0.02 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.74 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35