#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdi n LEU 2 N 0.00 0.04 -0.32 3.17 4.77 -1.26 -5.00 117.00 118.40 1jdi n LEU 2 Ca 0.00 -3.85 0.08 0.00 -0.03 0.00 0.00 56.01 52.21 1jdi n LEU 2 Cb 0.00 0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.69 1jdi n LEU 2 CO 0.00 1.82 0.75 -0.33 -1.33 0.00 0.00 177.39 178.30 1jdi h GLU 3 N 2.72 0.02 -0.47 3.23 3.07 -1.99 0.65 114.58 121.82 1jdi h GLU 3 Ca -0.12 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 1jdi h GLU 3 Cb 1.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1jdi h GLU 3 CO 0.30 0.01 0.12 0.22 -1.40 0.00 0.00 179.01 178.27 1jdi h ASP 4 N 0.02 0.70 -0.88 1.42 1.82 -1.99 -1.22 116.42 116.30 1jdi h ASP 4 Ca 0.49 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1jdi h ASP 4 Cb 0.88 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.66 1jdi h ASP 4 CO -0.89 0.75 0.55 0.25 -1.61 0.00 0.00 179.24 178.29 1jdi h LEU 5 N 0.63 1.05 -1.12 2.28 6.46 -1.38 -0.84 115.31 122.39 1jdi h LEU 5 Ca 0.15 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1jdi h LEU 5 Cb 0.32 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 1jdi h LEU 5 CO 0.00 0.79 0.21 0.11 -0.62 0.00 0.00 178.44 178.94 1jdi h LYS 6 N 1.21 0.84 -0.03 1.25 1.57 -0.77 -0.39 116.57 120.25 1jdi h LYS 6 Ca 0.32 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1jdi h LYS 6 Cb -0.07 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1jdi h LYS 6 CO -0.06 0.70 0.01 -0.09 -0.57 0.00 0.00 179.45 179.43 1jdi h ARG 7 N 0.82 0.04 -0.18 3.15 1.12 -0.25 0.13 114.38 119.22 1jdi h ARG 7 Ca 0.19 -0.01 0.03 0.00 -1.11 0.00 0.00 59.98 59.09 1jdi h ARG 7 Cb 0.19 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.11 1jdi h ARG 7 CO -0.02 0.22 -0.04 1.96 -3.11 0.00 0.00 179.97 178.99 1jdi h GLN 8 N -0.15 0.01 -0.52 0.20 4.20 -0.79 0.70 115.11 118.76 1jdi h GLN 8 Ca 0.01 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1jdi h GLN 8 Cb 0.20 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1jdi h GLN 8 CO -0.00 0.01 0.15 0.28 -0.67 0.00 0.00 178.83 178.60 1jdi h VAL 9 N 0.01 1.21 -0.20 -0.54 2.07 -1.00 0.40 116.25 118.19 1jdi h VAL 9 Ca 0.08 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1jdi h VAL 9 Cb 0.13 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1jdi h VAL 9 CO -0.18 0.28 0.05 0.25 0.02 0.00 0.00 177.57 177.99 1jdi h LEU 10 N 0.76 0.30 -0.75 2.57 7.12 0.05 -1.20 115.31 124.17 1jdi h LEU 10 Ca 0.17 -0.22 -0.08 0.00 0.13 0.00 0.00 57.88 57.88 1jdi h LEU 10 Cb 0.24 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 1jdi h LEU 10 CO -0.01 0.45 0.09 -0.33 -0.13 0.00 0.00 178.44 178.51 1jdi h GLU 11 N 0.15 1.04 -0.12 1.25 5.08 -0.50 -1.32 114.58 120.17 1jdi h GLU 11 Ca 0.06 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1jdi h GLU 11 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1jdi h GLU 11 CO -0.00 0.96 0.07 0.00 -1.00 0.00 0.00 179.01 179.04 1jdi h ALA 12 N 1.12 0.15 -0.71 3.43 0.00 -0.76 -0.49 119.26 122.00 1jdi h ALA 12 Ca 0.19 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jdi h ALA 12 Cb 0.43 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1jdi h ALA 12 CO 0.01 -0.34 0.47 -0.91 0.00 0.00 0.00 179.25 178.48 1jdi h ASN 13 N 0.13 0.79 0.24 0.00 2.35 -1.04 -1.57 115.58 116.47 1jdi h ASN 13 Ca 0.04 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1jdi h ASN 13 Cb 0.03 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1jdi h ASN 13 CO -0.01 0.56 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.12 1jdi h LEU 14 N 0.94 0.00 -1.13 1.61 4.07 -0.91 -2.21 115.31 117.68 1jdi h LEU 14 Ca 0.27 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.15 1jdi h LEU 14 Cb -0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1jdi h LEU 14 CO -0.08 0.14 -0.41 0.00 -1.08 0.00 0.00 178.44 177.02 1jdi h ALA 15 N 1.86 1.20 -0.11 1.53 0.00 -0.05 -3.28 119.26 120.40 1jdi h ALA 15 Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1jdi h ALA 15 Cb 0.30 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1jdi h ALA 15 CO 0.02 0.51 -0.30 -0.07 0.00 0.00 0.00 179.25 179.41 1jdi h LEU 16 N 0.00 -0.94 -1.09 0.00 4.07 -1.26 -1.18 115.31 114.91 1jdi h LEU 16 Ca -0.00 0.14 -0.09 0.00 0.08 0.00 0.00 57.88 58.00 1jdi h LEU 16 Cb 0.78 0.40 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1jdi h LEU 16 CO 0.05 -0.35 -0.45 1.55 -1.08 0.00 0.00 178.44 178.17 1jdi h PRO 17 N -0.39 0.00 -0.42 1.13 0.13 -1.74 -1.53 132.00 129.19 1jdi h PRO 17 Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.19 1jdi h PRO 17 Cb 0.53 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 1jdi h PRO 17 CO -0.33 0.45 0.11 0.87 -0.23 0.00 0.00 178.00 178.87 1jdi h LYS 18 N 0.00 0.62 -0.70 0.86 1.57 -1.43 -1.88 116.57 115.61 1jdi h LYS 18 Ca -0.00 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1jdi h LYS 18 Cb 0.81 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1jdi h LYS 18 CO 0.06 0.56 0.14 0.72 -0.57 0.00 0.00 179.45 180.36 1jdi n HIS 19 N -4.32 2.13 -3.91 -1.35 8.25 -0.52 -4.93 115.22 110.56 1jdi n HIS 19 Ca 0.03 -0.91 -0.31 0.00 -0.26 0.00 0.00 57.72 56.26 1jdi n HIS 19 Cb 0.19 -0.58 -0.01 0.00 1.12 0.00 0.00 29.99 30.72 1jdi n HIS 19 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jdi n ASN 20 N 0.21 -3.82 -0.34 0.41 3.02 -0.71 -4.82 115.26 109.21 1jdi n ASN 20 Ca 0.32 -0.78 0.12 0.00 -0.03 0.00 0.00 54.58 54.21 1jdi n ASN 20 Cb 1.23 -3.11 0.22 0.00 -0.61 0.00 0.00 39.78 37.50 1jdi n ASN 20 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jdi n LEU 21 N -4.28 1.43 -3.84 3.41 4.77 -0.60 -4.82 117.00 113.08 1jdi n LEU 21 Ca 0.05 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 1jdi n LEU 21 Cb 0.51 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1jdi n LEU 21 CO 0.74 0.27 0.31 0.54 -1.33 0.00 0.00 177.39 177.92 1jdi s VAL 22 N -2.50 0.01 0.17 4.08 0.11 -1.25 -2.83 120.40 118.19 1jdi s VAL 22 Ca 0.22 -1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1jdi s VAL 22 Cb 0.19 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1jdi s VAL 22 CO 0.55 -0.05 0.07 -0.89 -3.33 0.00 0.00 175.10 171.44 1jdi s THR 23 N -3.92 0.25 0.00 5.04 2.01 -1.26 -4.71 115.64 113.05 1jdi s THR 23 Ca 0.13 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.18 1jdi s THR 23 Cb -0.02 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 70.25 1jdi s THR 23 CO 0.03 -0.31 0.00 0.18 -0.69 0.00 0.00 174.62 173.83 1jdi n LEU 24 N -0.21 0.00 -0.78 4.42 4.77 -1.26 -1.80 117.00 122.14 1jdi n LEU 24 Ca -0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1jdi n LEU 24 Cb 0.64 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.94 1jdi n LEU 24 CO 0.33 0.00 0.67 0.35 -1.33 0.00 0.00 177.39 177.41 1jdi n THR 25 N 0.00 1.60 -0.90 -5.08 -2.24 -1.26 -4.79 114.28 101.62 1jdi n THR 25 Ca 0.00 -1.40 -0.30 0.00 -2.27 0.00 0.00 64.05 60.08 1jdi n THR 25 Cb 0.00 0.15 0.17 0.00 -2.10 0.00 0.00 70.33 68.55 1jdi n THR 25 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1jdi s TRP 26 N -1.84 1.89 0.00 4.78 0.51 -0.74 -4.89 118.94 118.64 1jdi s TRP 26 Ca 0.32 1.40 0.00 0.00 -2.12 0.00 0.00 56.10 55.70 1jdi s TRP 26 Cb 0.22 -3.19 0.00 0.00 -0.81 0.00 0.00 33.47 29.70 1jdi s TRP 26 CO 0.13 -2.87 0.00 0.41 -0.51 0.00 0.00 176.95 174.11 1jdi n GLY 27 N -0.27 -1.36 3.64 0.98 0.00 -1.26 -4.70 105.19 102.23 1jdi n GLY 27 Ca 0.07 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 1jdi n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdi s ASN 28 N -2.78 -0.21 0.09 1.61 2.20 0.41 -4.98 114.94 111.27 1jdi s ASN 28 Ca 0.00 0.40 0.08 0.00 -0.94 0.00 0.00 52.86 52.40 1jdi s ASN 28 Cb 0.00 0.40 -0.03 0.00 -2.00 0.00 0.00 41.25 39.62 1jdi s ASN 28 CO 0.00 -0.08 -0.21 -0.69 -2.94 0.00 0.00 177.10 173.18 1jdi s VAL 29 N 0.02 1.74 0.06 3.54 1.01 -1.26 -0.61 120.40 124.89 1jdi s VAL 29 Ca 0.06 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 1jdi s VAL 29 Cb -0.05 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1jdi s VAL 29 CO -0.11 0.01 0.14 -0.94 0.00 0.00 0.00 175.10 174.20 1jdi s SER 30 N -1.76 0.15 0.02 3.32 1.04 -0.23 -2.36 113.70 113.88 1jdi s SER 30 Ca 0.07 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1jdi s SER 30 Cb -0.10 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 1jdi s SER 30 CO 0.04 -0.62 -0.03 0.00 0.98 0.00 0.00 173.24 173.61 1jdi s ALA 31 N -3.21 0.16 0.33 5.32 0.00 -0.56 -0.59 121.76 123.20 1jdi s ALA 31 Ca 0.00 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1jdi s ALA 31 Cb 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1jdi s ALA 31 CO -0.07 -0.10 0.34 0.54 0.00 0.00 0.00 175.76 176.47 1jdi s VAL 32 N -1.12 3.74 -0.37 0.00 0.11 -0.14 -0.97 120.40 121.65 1jdi s VAL 32 Ca -0.12 -1.25 0.01 0.00 -2.93 0.00 0.00 61.98 57.69 1jdi s VAL 32 Cb -0.08 -3.27 0.14 0.00 -1.53 0.00 0.00 36.38 31.65 1jdi s VAL 32 CO -0.01 -0.18 0.23 -0.62 -3.33 0.00 0.00 175.10 171.20 1jdi s ASP 33 N -4.04 2.90 0.18 3.54 2.15 -0.09 -4.96 116.67 116.34 1jdi s ASP 33 Ca 0.42 -2.32 -0.13 0.00 0.43 0.00 0.00 52.55 50.94 1jdi s ASP 33 Cb -0.07 -0.47 0.17 0.00 -0.30 0.00 0.00 42.92 42.24 1jdi s ASP 33 CO 0.28 -0.29 1.74 0.03 -0.17 0.00 0.00 175.17 176.75 1jdi h ARG 34 N 6.85 0.29 -0.62 4.34 -0.00 -1.97 -1.43 114.38 121.84 1jdi h ARG 34 Ca 0.07 -0.02 0.10 0.00 -0.50 0.00 0.00 59.98 59.63 1jdi h ARG 34 Cb 0.96 -0.07 -0.07 0.00 0.00 0.00 0.00 29.97 30.79 1jdi h ARG 34 CO 0.30 0.19 0.23 0.93 0.00 0.00 0.00 179.97 181.62 1jdi h GLU 35 N 0.30 0.40 -0.00 0.04 5.08 -1.96 0.99 114.58 119.43 1jdi h GLU 35 Ca 0.23 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jdi h GLU 35 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jdi h GLU 35 CO -0.26 0.26 -0.04 0.54 -1.00 0.00 0.00 179.01 178.51 1jdi n ARG 36 N -5.00 0.55 -3.60 2.33 5.12 -1.05 -4.93 116.66 110.09 1jdi n ARG 36 Ca 0.09 -0.08 -0.22 0.00 -1.93 0.00 0.00 57.85 55.72 1jdi n ARG 36 Cb 0.28 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.15 1jdi n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jdi n GLY 37 N 1.26 -0.42 3.39 -0.13 0.00 0.34 -4.98 105.19 104.66 1jdi n GLY 37 Ca 0.15 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1jdi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdi s VAL 38 N -3.41 0.06 0.03 1.61 0.11 -0.98 -2.38 120.40 115.43 1jdi s VAL 38 Ca 0.25 -0.91 -0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1jdi s VAL 38 Cb -0.12 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.21 1jdi s VAL 38 CO 0.76 -0.27 -0.03 0.72 -3.33 0.00 0.00 175.10 172.95 1jdi s PHE 39 N -3.88 0.31 -0.14 1.54 -0.71 -0.18 -0.92 117.98 114.00 1jdi s PHE 39 Ca 0.09 -0.62 -0.05 0.00 -1.04 0.00 0.00 56.93 55.31 1jdi s PHE 39 Cb 0.01 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.56 1jdi s PHE 39 CO -0.05 -0.22 0.01 0.08 -1.34 0.00 0.00 175.22 173.70 1jdi s VAL 40 N -1.88 4.38 0.05 -2.49 1.01 -0.15 -0.59 120.40 120.74 1jdi s VAL 40 Ca -0.12 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1jdi s VAL 40 Cb -0.07 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1jdi s VAL 40 CO -0.03 0.52 -0.05 -0.51 0.00 0.00 0.00 175.10 175.03 1jdi s ILE 41 N -0.03 0.38 0.51 2.22 2.07 -0.33 -1.50 121.20 124.53 1jdi s ILE 41 Ca 0.04 -1.52 -0.22 0.00 -1.41 0.00 0.00 60.65 57.54 1jdi s ILE 41 Cb -0.13 -1.13 -0.07 0.00 0.13 0.00 0.00 42.46 41.26 1jdi s ILE 41 CO 0.02 -0.75 1.08 1.17 -1.91 0.00 0.00 174.94 174.55 1jdi n LYS 42 N 0.63 1.30 -2.26 3.50 4.81 -0.99 -1.65 118.16 123.50 1jdi n LYS 42 Ca -0.17 0.48 -0.29 0.00 -0.87 0.00 0.00 58.31 57.46 1jdi n LYS 42 Cb 0.58 -2.22 0.01 0.00 0.02 0.00 0.00 35.03 33.42 1jdi n LYS 42 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1jdi s PRO 43 N -2.47 3.50 -0.05 1.64 0.04 -1.26 -1.58 135.00 134.81 1jdi s PRO 43 Ca 0.69 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 1jdi s PRO 43 Cb -0.47 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1jdi s PRO 43 CO 0.52 -0.43 0.37 0.45 0.04 0.00 0.00 177.00 177.95 1jdi s SER 44 N -4.16 6.70 -0.03 6.66 0.15 0.19 -4.40 113.70 118.81 1jdi s SER 44 Ca 0.51 0.83 -0.00 0.00 0.70 0.00 0.00 55.95 58.00 1jdi s SER 44 Cb -0.11 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1jdi s SER 44 CO 0.49 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.81 1jdi n GLY 45 N 2.20 0.40 2.89 9.45 0.00 -1.26 -4.60 105.19 114.26 1jdi n GLY 45 Ca -0.14 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1jdi n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdi s VAL 46 N -2.09 0.78 0.57 1.61 1.01 -1.26 -5.13 120.40 115.88 1jdi s VAL 46 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1jdi s VAL 46 Cb -0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1jdi s VAL 46 CO 0.00 0.31 1.22 -1.81 0.00 0.00 0.00 175.10 174.82 1jdi s ASP 47 N 1.45 5.35 0.46 3.32 1.01 -1.26 -4.87 116.67 122.12 1jdi s ASP 47 Ca -0.01 2.42 0.12 0.00 0.71 0.00 0.00 52.55 55.79 1jdi s ASP 47 Cb -0.13 -2.60 1.03 0.00 1.01 0.00 0.00 42.92 42.23 1jdi s ASP 47 CO -0.04 -1.49 2.05 1.88 0.21 0.00 0.00 175.17 177.78 1jdi h TYR 48 N 1.13 0.16 0.00 4.23 0.05 -1.97 -2.18 116.97 118.39 1jdi h TYR 48 Ca -0.50 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.27 1jdi h TYR 48 Cb 1.29 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1jdi h TYR 48 CO 0.47 0.18 0.00 -1.13 -1.05 0.00 0.00 178.16 176.63 1jdi n SER 49 N -4.43 0.00 0.00 3.88 3.41 -1.26 -3.31 113.62 111.91 1jdi n SER 49 Ca -0.01 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1jdi n SER 49 Cb 0.15 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1jdi n SER 49 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1jdi n ILE 50 N -1.19 0.00 -1.66 -1.33 2.08 -0.97 -5.06 119.36 111.23 1jdi n ILE 50 Ca 0.14 -0.13 -0.46 0.00 0.56 0.00 0.00 62.75 62.86 1jdi n ILE 50 Cb 0.16 0.60 -0.04 0.00 -0.75 0.00 0.00 39.64 39.61 1jdi n ILE 50 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1jdi n MET 51 N -1.16 2.00 -4.32 0.38 1.56 -0.86 -5.02 117.12 109.70 1jdi n MET 51 Ca 0.00 0.72 -0.17 0.00 -0.27 0.00 0.00 57.70 57.98 1jdi n MET 51 Cb 0.00 -2.42 -0.10 0.00 2.15 0.00 0.00 33.22 32.85 1jdi n MET 51 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1jdi s THR 52 N 0.47 1.43 0.55 1.12 -4.23 -1.26 -5.03 115.64 108.67 1jdi s THR 52 Ca 0.75 -2.12 0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1jdi s THR 52 Cb -0.69 -2.07 0.42 0.00 1.34 0.00 0.00 72.50 71.50 1jdi s THR 52 CO 0.44 -0.57 1.95 0.00 -0.54 0.00 0.00 174.62 175.89 1jdi h ALA 53 N 2.59 2.55 0.00 3.99 0.00 -1.95 0.12 119.26 126.55 1jdi h ALA 53 Ca -0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1jdi h ALA 53 Cb 1.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1jdi h ALA 53 CO 0.63 -0.81 -0.30 -0.44 0.00 0.00 0.00 179.25 178.33 1jdi h ASP 54 N 0.00 0.00 1.05 0.00 3.32 -1.96 -2.84 116.42 115.99 1jdi h ASP 54 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1jdi h ASP 54 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1jdi h ASP 54 CO -0.00 0.30 0.00 0.44 -1.72 0.00 0.00 179.24 178.26 1jdi h ASP 55 N 0.00 0.00 -4.09 6.45 3.45 -1.17 -3.43 116.42 117.64 1jdi h ASP 55 Ca -0.00 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 1jdi h ASP 55 Cb 0.68 0.00 0.12 0.00 -0.56 0.00 0.00 39.33 39.57 1jdi h ASP 55 CO 0.04 0.00 0.51 -0.04 -1.57 0.00 0.00 179.24 178.17 1jdi s MET 56 N -3.62 2.95 -0.07 3.56 -1.94 -1.08 -4.23 119.30 114.87 1jdi s MET 56 Ca 0.02 1.95 0.03 0.00 -1.71 0.00 0.00 55.69 55.97 1jdi s MET 56 Cb 0.09 -1.99 -0.02 0.00 2.01 0.00 0.00 34.83 34.92 1jdi s MET 56 CO 0.54 -1.26 -0.15 0.08 -0.01 0.00 0.00 175.02 174.22 1jdi s VAL 57 N -1.49 2.95 -0.23 -6.03 1.01 -0.66 -4.72 120.40 111.23 1jdi s VAL 57 Ca 0.77 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1jdi s VAL 57 Cb -0.34 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1jdi s VAL 57 CO 0.37 0.57 0.24 -0.69 0.00 0.00 0.00 175.10 175.59 1jdi s VAL 58 N -0.38 5.31 -0.02 2.92 1.01 0.00 -1.18 120.40 128.06 1jdi s VAL 58 Ca 0.04 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1jdi s VAL 58 Cb -0.12 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1jdi s VAL 58 CO 0.02 0.31 -0.17 -0.69 0.00 0.00 0.00 175.10 174.57 1jdi s VAL 59 N 1.15 1.38 0.05 2.92 1.01 0.25 -0.20 120.40 126.97 1jdi s VAL 59 Ca 0.11 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 1jdi s VAL 59 Cb -0.14 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 1jdi s VAL 59 CO 0.06 0.39 1.36 -0.55 0.00 0.00 0.00 175.10 176.36 1jdi s SER 60 N -0.33 6.88 0.14 3.32 0.15 0.48 -1.01 113.70 123.33 1jdi s SER 60 Ca 0.05 2.17 -0.14 0.00 0.70 0.00 0.00 55.95 58.72 1jdi s SER 60 Cb -0.08 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1jdi s SER 60 CO -0.00 -0.65 1.67 0.40 1.20 0.00 0.00 173.24 175.86 1jdi h ILE 61 N 4.62 1.22 -0.21 6.45 2.04 -1.80 0.41 117.51 130.24 1jdi h ILE 61 Ca -0.40 -0.73 -0.10 0.00 1.00 0.00 0.00 64.86 64.64 1jdi h ILE 61 Cb 1.19 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1jdi h ILE 61 CO 0.87 0.27 -0.25 -0.08 0.00 0.00 0.00 178.15 178.96 1jdi h GLU 62 N 0.62 0.54 0.00 2.37 4.81 -1.92 -3.36 114.58 117.64 1jdi h GLU 62 Ca 0.15 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1jdi h GLU 62 Cb 0.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1jdi h GLU 62 CO -0.01 0.89 -1.29 0.25 -0.73 0.00 0.00 179.01 178.12 1jdi n THR 63 N -4.38 0.00 -1.03 0.32 -2.24 -1.23 -4.97 114.28 100.75 1jdi n THR 63 Ca -0.05 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 1jdi n THR 63 Cb 0.44 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 1jdi n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdi n GLY 64 N 1.46 0.36 3.84 3.38 0.00 0.14 -4.98 105.19 109.40 1jdi n GLY 64 Ca -0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1jdi n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jdi s GLU 65 N -1.21 4.05 -0.22 1.61 2.56 -1.25 -4.72 118.70 119.52 1jdi s GLU 65 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 54.97 55.31 1jdi s GLU 65 Cb 0.00 -2.75 -0.01 0.00 2.00 0.00 0.00 34.13 33.37 1jdi s GLU 65 CO 0.00 0.35 1.26 0.54 -0.56 0.00 0.00 175.26 176.85 1jdi s VAL 66 N -1.66 4.27 0.01 3.70 0.11 -1.26 -0.39 120.40 125.18 1jdi s VAL 66 Ca 0.45 1.50 0.02 0.00 -2.93 0.00 0.00 61.98 61.02 1jdi s VAL 66 Cb -0.14 -4.08 -0.25 0.00 -1.53 0.00 0.00 36.38 30.38 1jdi s VAL 66 CO 0.20 -0.26 0.89 0.58 -3.33 0.00 0.00 175.10 173.17 1jdi h VAL 67 N 5.66 1.19 -1.93 2.04 2.07 -0.93 -3.48 116.25 120.88 1jdi h VAL 67 Ca -0.26 -2.89 -0.02 0.00 0.82 0.00 0.00 66.70 64.35 1jdi h VAL 67 Cb 1.10 2.70 -0.22 0.00 -1.52 0.00 0.00 31.29 33.35 1jdi h VAL 67 CO 0.99 0.78 0.20 -0.70 0.02 0.00 0.00 177.57 178.87 1jdi s GLU 68 N -2.63 0.82 0.00 1.57 2.12 -1.16 -5.01 118.70 114.41 1jdi s GLU 68 Ca -0.06 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1jdi s GLU 68 Cb 0.08 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.86 1jdi s GLU 68 CO 0.84 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.84 1jdi n GLY 69 N 2.28 4.70 0.15 -1.50 0.00 -1.26 -0.82 105.19 108.74 1jdi n GLY 69 Ca -0.14 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 44.96 1jdi n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdi h ALA 70 N 0.00 0.67 -1.88 4.61 0.00 -1.87 -3.47 119.26 117.32 1jdi h ALA 70 Ca 0.00 -0.10 -0.45 0.00 0.00 0.00 0.00 54.91 54.36 1jdi h ALA 70 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jdi h ALA 70 CO 0.00 0.11 -0.37 0.15 0.00 0.00 0.00 179.25 179.14 1jdi s LYS 71 N -3.26 3.14 0.11 0.00 1.02 -1.26 -5.09 119.74 114.41 1jdi s LYS 71 Ca 0.02 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 1jdi s LYS 71 Cb 0.08 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.53 1jdi s LYS 71 CO 0.75 0.14 0.99 0.21 -0.92 0.00 0.00 175.35 176.52 1jdi s LYS 72 N -4.12 4.67 0.88 1.68 2.20 -1.26 -4.91 119.74 118.88 1jdi s LYS 72 Ca 0.42 1.49 -0.11 0.00 -0.36 0.00 0.00 55.97 57.42 1jdi s LYS 72 Cb -0.09 -3.37 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 1jdi s LYS 72 CO 0.30 0.17 1.09 -1.25 -0.36 0.00 0.00 175.35 175.30 1jdi s PRO 73 N 0.03 1.41 0.39 4.03 0.04 -1.26 0.56 135.00 140.19 1jdi s PRO 73 Ca 0.48 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1jdi s PRO 73 Cb -0.24 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1jdi s PRO 73 CO 0.30 -2.16 1.18 0.45 0.04 0.00 0.00 177.00 176.81 1jdi n SER 74 N -3.84 2.14 0.00 6.66 2.88 -0.61 -3.85 113.62 117.00 1jdi n SER 74 Ca 0.07 1.12 0.03 0.00 -1.33 0.00 0.00 58.87 58.76 1jdi n SER 74 Cb 0.55 -1.44 0.13 0.00 -0.75 0.00 0.00 64.21 62.70 1jdi n SER 74 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1jdi n SER 75 N 0.53 0.00 -0.83 -3.46 3.41 -1.26 -0.94 113.62 111.07 1jdi n SER 75 Ca 0.07 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1jdi n SER 75 Cb 0.38 -0.41 0.28 0.00 -0.26 0.00 0.00 64.21 64.20 1jdi n SER 75 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jdi n ASP 76 N -1.41 2.52 -0.30 4.04 10.43 -1.26 -4.51 116.55 126.06 1jdi n ASP 76 Ca 0.02 -1.83 0.12 0.00 2.57 0.00 0.00 54.79 55.66 1jdi n ASP 76 Cb 0.06 -0.09 0.28 0.00 1.84 0.00 0.00 41.12 43.21 1jdi n ASP 76 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1jdi h THR 77 N 3.62 0.50 -0.71 -3.53 2.02 -1.39 -0.67 112.91 112.75 1jdi h THR 77 Ca 0.00 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1jdi h THR 77 Cb 0.78 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 1jdi h THR 77 CO 0.00 0.07 0.47 -0.65 0.37 0.00 0.00 175.52 175.78 1jdi h PRO 78 N 0.40 0.84 -0.35 6.66 0.11 -1.84 0.81 132.00 138.63 1jdi h PRO 78 Ca 0.53 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.53 1jdi h PRO 78 Cb 0.98 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1jdi h PRO 78 CO -0.52 0.56 -0.01 1.15 -0.21 0.00 0.00 178.00 178.97 1jdi h THR 79 N 0.87 1.26 0.01 -1.15 2.02 -1.19 -0.79 112.91 113.94 1jdi h THR 79 Ca 0.28 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1jdi h THR 79 Cb 0.05 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1jdi h THR 79 CO -0.08 0.33 -0.03 0.45 0.37 0.00 0.00 175.52 176.56 1jdi h HIS 80 N 0.43 -0.08 -0.14 3.16 3.86 -1.04 -1.71 115.15 119.63 1jdi h HIS 80 Ca 0.10 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1jdi h HIS 80 Cb 0.48 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 1jdi h HIS 80 CO 0.04 -0.05 -0.12 -0.09 0.86 0.00 0.00 177.93 178.57 1jdi h ARG 81 N -0.06 -0.13 -0.36 2.45 2.43 -0.72 -0.73 114.38 117.26 1jdi h ARG 81 Ca 0.01 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1jdi h ARG 81 Cb 0.07 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1jdi h ARG 81 CO -0.03 -0.09 0.05 1.25 -1.51 0.00 0.00 179.97 179.65 1jdi h LEU 82 N -0.14 -0.02 -1.04 3.80 7.12 -1.01 -1.75 115.31 122.26 1jdi h LEU 82 Ca 0.09 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.20 1jdi h LEU 82 Cb 0.27 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.44 1jdi h LEU 82 CO -0.22 0.02 0.64 -0.07 -0.13 0.00 0.00 178.44 178.68 1jdi h LEU 83 N 0.17 1.07 -0.97 2.25 3.38 -0.69 0.95 115.31 121.48 1jdi h LEU 83 Ca 0.17 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1jdi h LEU 83 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1jdi h LEU 83 CO -0.24 0.73 -0.11 1.88 0.09 0.00 0.00 178.44 180.80 1jdi h TYR 84 N 1.24 0.68 -0.18 1.13 0.05 -0.48 0.49 116.97 119.89 1jdi h TYR 84 Ca 0.39 -0.11 -0.08 0.00 0.05 0.00 0.00 58.73 58.98 1jdi h TYR 84 Cb 0.00 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.56 1jdi h TYR 84 CO -0.00 0.71 -0.19 1.96 -1.05 0.00 0.00 178.16 179.59 1jdi h GLN 85 N 0.58 0.46 -0.16 4.88 4.20 -0.49 -3.32 115.11 121.26 1jdi h GLN 85 Ca 0.10 -0.24 -0.19 0.00 0.06 0.00 0.00 58.65 58.38 1jdi h GLN 85 Cb 0.53 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1jdi h GLN 85 CO 0.03 0.82 -0.67 0.00 -0.67 0.00 0.00 178.83 178.33 1jdi h ALA 86 N 0.63 0.52 -3.28 3.87 0.00 -0.67 -3.40 119.26 116.93 1jdi h ALA 86 Ca 0.03 -0.57 -0.68 0.00 0.00 0.00 0.00 54.91 53.69 1jdi h ALA 86 Cb 0.74 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.11 1jdi h ALA 86 CO 0.05 0.71 -0.55 -0.06 0.00 0.00 0.00 179.25 179.40 1jdi s PHE 87 N -3.82 3.53 0.34 0.00 0.08 0.15 -4.97 117.98 113.29 1jdi s PHE 87 Ca -0.08 -2.70 0.05 0.00 0.12 0.00 0.00 56.93 54.32 1jdi s PHE 87 Cb 0.10 -3.11 0.71 0.00 -0.57 0.00 0.00 43.02 40.15 1jdi s PHE 87 CO 0.87 -0.91 1.92 -1.35 -0.10 0.00 0.00 175.22 175.65 1jdi h PRO 88 N 7.53 0.78 -0.06 0.24 0.11 -1.79 -3.01 132.00 135.80 1jdi h PRO 88 Ca -0.08 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.91 1jdi h PRO 88 Cb 1.00 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1jdi h PRO 88 CO 0.67 0.52 -0.30 0.66 -0.21 0.00 0.00 178.00 179.33 1jdi h SER 89 N 0.81 0.11 -3.93 -2.05 4.64 -1.93 -3.45 113.55 107.75 1jdi h SER 89 Ca 0.37 -0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 61.15 1jdi h SER 89 Cb 0.38 -0.03 0.05 0.00 -0.31 0.00 0.00 62.40 62.49 1jdi h SER 89 CO -0.14 0.41 0.53 0.27 -0.87 0.00 0.00 176.83 177.02 1jdi s ILE 90 N -4.36 3.09 0.00 0.95 -4.36 -1.14 -4.79 121.20 110.58 1jdi s ILE 90 Ca -0.04 0.95 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 1jdi s ILE 90 Cb 0.15 -3.55 0.00 0.00 1.25 0.00 0.00 42.46 40.31 1jdi s ILE 90 CO 0.73 0.12 0.12 0.61 0.24 0.00 0.00 174.94 176.76 1jdi n GLY 91 N 0.70 0.40 3.35 6.27 0.00 0.47 -4.91 105.19 111.47 1jdi n GLY 91 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1jdi n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jdi s GLY 92 N -0.63 -0.33 -0.01 -0.02 0.00 -0.81 -0.96 107.32 104.56 1jdi s GLY 92 Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 44.72 45.72 1jdi s GLY 92 CO 0.00 0.74 -0.09 -0.42 0.00 0.00 0.00 173.10 173.33 1jdi s ILE 93 N -0.60 0.77 -0.07 0.90 1.01 0.24 -1.41 121.20 122.04 1jdi s ILE 93 Ca -0.07 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1jdi s ILE 93 Cb -0.03 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1jdi s ILE 93 CO 0.04 0.22 -0.11 -0.69 0.00 0.00 0.00 174.94 174.40 1jdi s VAL 94 N -0.09 1.10 -0.10 2.92 1.01 0.11 -1.07 120.40 124.27 1jdi s VAL 94 Ca 0.02 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1jdi s VAL 94 Cb -0.05 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1jdi s VAL 94 CO -0.00 0.35 -0.17 -2.28 0.00 0.00 0.00 175.10 172.99 1jdi s HIS 95 N 0.76 2.05 0.31 5.22 5.04 0.22 -0.48 115.29 128.40 1jdi s HIS 95 Ca -0.13 -0.88 0.01 0.00 -1.54 0.00 0.00 55.06 52.51 1jdi s HIS 95 Cb -0.15 -1.44 -0.02 0.00 0.04 0.00 0.00 32.58 31.01 1jdi s HIS 95 CO 0.03 -0.42 0.35 0.95 -2.34 0.00 0.00 174.74 173.31 1jdi s THR 96 N 0.70 0.00 -0.31 0.89 -4.23 -1.19 -0.45 115.64 111.06 1jdi s THR 96 Ca -0.12 -1.80 0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1jdi s THR 96 Cb -0.16 -2.54 0.46 0.00 1.34 0.00 0.00 72.50 71.60 1jdi s THR 96 CO 0.03 0.00 1.16 1.41 -0.54 0.00 0.00 174.62 176.68 1jdi n HIS 97 N -0.53 2.61 -1.68 3.99 8.25 -1.26 -3.58 115.22 123.03 1jdi n HIS 97 Ca 0.03 -2.34 -0.50 0.00 -0.26 0.00 0.00 57.72 54.65 1jdi n HIS 97 Cb 0.63 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 1jdi n HIS 97 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jdi n SER 98 N -0.65 2.99 -0.11 0.41 3.41 -1.13 -4.71 113.62 113.83 1jdi n SER 98 Ca 0.38 1.03 -0.03 0.00 -0.26 0.00 0.00 58.87 59.98 1jdi n SER 98 Cb 0.90 -1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.52 1jdi n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jdi n ARG 99 N 5.51 -0.12 0.07 4.33 1.74 -1.26 -0.80 116.66 126.13 1jdi n ARG 99 Ca 0.22 0.47 -0.11 0.00 -0.77 0.00 0.00 57.85 57.67 1jdi n ARG 99 Cb 0.25 -0.70 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 1jdi n ARG 99 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jdi h HIS 100 N 0.00 0.46 -0.55 -1.55 3.86 -1.88 -0.16 115.15 115.34 1jdi h HIS 100 Ca 0.04 -0.24 -0.11 0.00 -1.16 0.00 0.00 60.37 58.90 1jdi h HIS 100 Cb 0.11 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1jdi h HIS 100 CO -0.34 1.05 -0.10 0.00 0.86 0.00 0.00 177.93 179.41 1jdi h ALA 101 N 0.87 0.75 -0.10 2.45 0.00 -1.63 -2.58 119.26 119.03 1jdi h ALA 101 Ca -0.06 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1jdi h ALA 101 Cb 1.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1jdi h ALA 101 CO 0.15 0.66 -0.27 1.15 0.00 0.00 0.00 179.25 180.93 1jdi h THR 102 N 0.91 1.24 -0.44 0.00 2.02 -0.84 -1.89 112.91 113.91 1jdi h THR 102 Ca 0.14 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1jdi h THR 102 Cb 0.67 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1jdi h THR 102 CO 0.05 0.33 0.22 0.40 0.37 0.00 0.00 175.52 176.89 1jdi h ILE 103 N 0.16 1.17 -0.79 3.11 2.04 -0.64 0.70 117.51 123.26 1jdi h ILE 103 Ca 0.02 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1jdi h ILE 103 Cb 0.57 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1jdi h ILE 103 CO 0.04 0.19 0.29 -0.50 0.00 0.00 0.00 178.15 178.17 1jdi h TRP 104 N 0.57 1.22 -0.32 1.37 4.06 -1.10 -1.47 115.95 120.28 1jdi h TRP 104 Ca 0.15 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1jdi h TRP 104 Cb 0.09 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 1jdi h TRP 104 CO -0.01 0.93 0.20 0.00 -3.56 0.00 0.00 178.44 176.00 1jdi h ALA 105 N 1.16 0.40 -0.12 1.49 0.00 -0.85 0.37 119.26 121.70 1jdi h ALA 105 Ca 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1jdi h ALA 105 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jdi h ALA 105 CO -0.02 -0.12 -0.25 1.96 0.00 0.00 0.00 179.25 180.82 1jdi h GLN 106 N 0.42 0.22 0.00 0.00 4.20 -0.64 0.62 115.11 119.93 1jdi h GLN 106 Ca 0.12 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1jdi h GLN 106 Cb -0.03 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1jdi h GLN 106 CO -0.02 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1jdi n ALA 107 N -2.48 2.04 -3.23 3.87 0.00 -0.57 -4.52 120.51 115.61 1jdi n ALA 107 Ca -0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1jdi n ALA 107 Cb 0.36 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.46 1jdi n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdi n GLY 108 N 0.84 -0.37 3.30 0.00 0.00 0.05 -5.01 105.19 104.00 1jdi n GLY 108 Ca 0.05 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1jdi n GLY 108 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jdi s GLN 109 N -5.90 1.16 0.25 1.61 -0.21 -0.83 -5.00 119.66 110.74 1jdi s GLN 109 Ca 0.41 -1.21 -0.17 0.00 0.02 0.00 0.00 55.36 54.41 1jdi s GLN 109 Cb -0.18 -1.39 -0.08 0.00 1.00 0.00 0.00 33.01 32.36 1jdi s GLN 109 CO 0.51 0.32 0.70 -1.12 -2.12 0.00 0.00 175.29 173.57 1jdi s SER 110 N -2.05 6.90 -0.44 5.90 0.01 -1.26 -4.56 113.70 118.20 1jdi s SER 110 Ca 0.08 1.30 -0.23 0.00 1.31 0.00 0.00 55.95 58.42 1jdi s SER 110 Cb -0.09 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.78 1jdi s SER 110 CO 0.05 -0.05 0.75 -0.63 0.41 0.00 0.00 173.24 173.77 1jdi s ILE 111 N -1.70 4.69 0.52 1.44 1.01 -0.67 -4.93 121.20 121.56 1jdi s ILE 111 Ca 0.47 0.41 -0.19 0.00 0.00 0.00 0.00 60.65 61.33 1jdi s ILE 111 Cb -0.14 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 1jdi s ILE 111 CO 0.19 -0.66 1.05 -2.16 0.00 0.00 0.00 174.94 173.36 1jdi s PRO 112 N 3.17 3.64 -0.40 2.79 0.04 -1.26 -1.21 135.00 141.77 1jdi s PRO 112 Ca 0.28 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1jdi s PRO 112 Cb -0.13 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1jdi s PRO 112 CO 0.21 -0.56 1.09 0.00 0.04 0.00 0.00 177.00 177.78 1jdi s ALA 113 N -2.08 3.33 0.00 8.56 0.00 -1.26 -4.84 121.76 125.46 1jdi s ALA 113 Ca 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1jdi s ALA 113 Cb -0.17 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1jdi s ALA 113 CO 0.25 -1.86 0.73 0.25 0.00 0.00 0.00 175.76 175.12 1jdi n THR 114 N 6.34 0.53 -3.69 0.00 -2.24 -1.26 -1.00 114.28 112.95 1jdi n THR 114 Ca 0.11 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1jdi n THR 114 Cb 0.48 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 1jdi n THR 114 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jdi s GLY 115 N -0.53 -0.20 0.49 3.38 0.00 -1.26 -4.74 107.32 104.46 1jdi s GLY 115 Ca 0.00 0.03 0.26 0.00 0.00 0.00 0.00 44.72 45.01 1jdi s GLY 115 CO 0.00 -0.21 1.99 -0.91 0.00 0.00 0.00 173.10 173.96 1jdi h THR 116 N 2.81 0.58 -0.37 0.90 1.35 -1.98 -1.54 112.91 114.66 1jdi h THR 116 Ca -0.33 -0.75 0.04 0.00 -0.55 0.00 0.00 66.41 64.83 1jdi h THR 116 Cb 1.22 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 69.09 1jdi h THR 116 CO 0.46 0.16 0.14 0.74 -0.25 0.00 0.00 175.52 176.78 1jdi h THR 117 N 0.00 0.91 -0.22 6.82 2.02 -2.00 -1.25 112.91 119.19 1jdi h THR 117 Ca -0.00 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1jdi h THR 117 Cb 0.48 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1jdi h THR 117 CO 0.02 0.06 -0.14 -0.74 0.37 0.00 0.00 175.52 175.09 1jdi h HIS 118 N 0.31 0.56 -0.11 3.16 6.17 -1.81 -3.09 115.15 120.33 1jdi h HIS 118 Ca 0.17 -0.15 0.03 0.00 0.71 0.00 0.00 60.37 61.13 1jdi h HIS 118 Cb 0.13 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 29.93 1jdi h HIS 118 CO -0.13 0.78 0.12 0.00 0.71 0.00 0.00 177.93 179.40 1jdi h ALA 119 N 0.69 1.74 0.00 5.26 0.00 -0.83 0.37 119.26 126.50 1jdi h ALA 119 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jdi h ALA 119 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jdi h ALA 119 CO 0.04 -0.18 0.00 -0.44 0.00 0.00 0.00 179.25 178.67 1jdi h ASP 120 N 0.00 0.00 0.00 0.00 3.45 -1.15 -2.85 116.42 115.87 1jdi h ASP 120 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1jdi h ASP 120 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1jdi h ASP 120 CO -0.00 0.00 -0.80 -1.22 -1.57 0.00 0.00 179.24 175.65 1jdi n TYR 121 N -2.85 0.00 -4.00 4.55 4.02 -0.34 -4.84 117.16 113.70 1jdi n TYR 121 Ca 0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.65 1jdi n TYR 121 Cb 0.36 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.51 1jdi n TYR 121 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jdi s PHE 122 N -1.71 1.38 -1.38 -0.72 0.08 -0.03 -4.51 117.98 111.09 1jdi s PHE 122 Ca 0.00 -0.64 -0.15 0.00 0.12 0.00 0.00 56.93 56.26 1jdi s PHE 122 Cb 0.00 -1.15 0.07 0.00 -0.57 0.00 0.00 43.02 41.37 1jdi s PHE 122 CO 0.00 -0.45 1.98 0.98 -0.10 0.00 0.00 175.22 177.63 1jdi n TYR 123 N 4.76 4.01 0.00 0.36 9.36 -0.33 -4.28 117.16 131.04 1jdi n TYR 123 Ca -0.14 -2.93 0.00 0.00 3.32 0.00 0.00 57.90 58.15 1jdi n TYR 123 Cb 0.50 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1jdi n TYR 123 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jdi n GLY 124 N 4.53 -0.19 3.73 2.98 0.00 -1.26 -4.88 105.19 110.09 1jdi n GLY 124 Ca 0.49 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1jdi n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdi s THR 125 N 0.00 2.43 -0.36 2.61 2.01 -1.26 -4.46 115.64 116.62 1jdi s THR 125 Ca 0.00 0.33 -0.27 0.00 0.31 0.00 0.00 61.69 62.06 1jdi s THR 125 Cb 0.00 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1jdi s THR 125 CO 0.00 0.04 0.97 -0.63 -0.69 0.00 0.00 174.62 174.31 1jdi s ILE 126 N 0.72 4.55 0.43 1.82 1.01 -0.35 -4.94 121.20 124.44 1jdi s ILE 126 Ca 0.67 1.35 -0.24 0.00 0.00 0.00 0.00 60.65 62.44 1jdi s ILE 126 Cb -0.45 -4.36 -0.08 0.00 0.01 0.00 0.00 42.46 37.58 1jdi s ILE 126 CO 0.37 -0.53 1.14 -2.16 0.00 0.00 0.00 174.94 173.76 1jdi s PRO 127 N 3.56 3.92 -0.12 2.79 0.04 -1.26 -1.67 135.00 142.25 1jdi s PRO 127 Ca 0.40 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.19 1jdi s PRO 127 Cb -0.12 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 1jdi s PRO 127 CO 0.18 -0.40 -0.16 0.00 0.04 0.00 0.00 177.00 176.66 1jdi s THR 129 N 0.35 2.36 0.90 0.00 -4.23 0.86 -4.88 115.64 110.99 1jdi s THR 129 Ca -0.13 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.37 1jdi s THR 129 Cb -0.16 -2.59 0.13 0.00 1.34 0.00 0.00 72.50 71.22 1jdi s THR 129 CO 0.06 -0.15 1.18 0.00 -0.54 0.00 0.00 174.62 175.17 1jdi s ARG 130 N -4.94 1.23 0.63 3.99 1.70 -1.26 -4.08 118.95 116.22 1jdi s ARG 130 Ca 0.64 0.11 -0.16 0.00 -0.47 0.00 0.00 55.73 55.85 1jdi s ARG 130 Cb -0.18 -1.87 -0.01 0.00 -0.57 0.00 0.00 34.95 32.32 1jdi s ARG 130 CO 0.57 -2.10 1.12 0.15 -1.08 0.00 0.00 175.30 173.96 1jdi s LYS 131 N -5.48 2.91 0.39 3.89 1.02 -1.26 -4.53 119.74 116.69 1jdi s LYS 131 Ca 0.65 1.47 -0.13 0.00 0.02 0.00 0.00 55.97 57.98 1jdi s LYS 131 Cb -0.12 -1.96 -0.07 0.00 -0.52 0.00 0.00 37.83 35.16 1jdi s LYS 131 CO 0.52 -1.17 0.78 -1.64 -0.92 0.00 0.00 175.35 172.91 1jdi s MET 132 N -3.87 3.87 0.58 1.68 -1.94 -1.26 -5.07 119.30 113.28 1jdi s MET 132 Ca 0.69 0.58 -0.09 0.00 -1.71 0.00 0.00 55.69 55.16 1jdi s MET 132 Cb -0.22 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 1jdi s MET 132 CO 0.38 0.00 0.94 0.95 -0.01 0.00 0.00 175.02 177.29 1jdi s THR 133 N -2.27 4.66 0.30 2.05 -4.23 -1.26 -4.85 115.64 110.04 1jdi s THR 133 Ca 0.53 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 1jdi s THR 133 Cb -0.10 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.19 1jdi s THR 133 CO 0.27 -0.98 1.90 0.44 -0.54 0.00 0.00 174.62 175.71 1jdi h ASP 134 N -0.15 0.91 -0.63 3.99 3.32 -1.98 0.13 116.42 122.01 1jdi h ASP 134 Ca -0.45 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.62 1jdi h ASP 134 Cb 1.20 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1jdi h ASP 134 CO 0.62 0.57 0.42 0.00 -1.72 0.00 0.00 179.24 179.13 1jdi h ALA 135 N 1.51 0.80 -0.33 3.45 0.00 -1.97 0.10 119.26 122.83 1jdi h ALA 135 Ca 0.40 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1jdi h ALA 135 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jdi h ALA 135 CO -0.16 0.23 -0.20 0.93 0.00 0.00 0.00 179.25 180.05 1jdi h GLU 136 N 0.85 0.71 -0.58 0.00 5.08 -1.59 -0.98 114.58 118.08 1jdi h GLU 136 Ca 0.23 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1jdi h GLU 136 Cb -0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1jdi h GLU 136 CO -0.05 0.94 0.04 0.82 -1.00 0.00 0.00 179.01 179.76 1jdi h ILE 137 N 0.48 1.26 -0.00 3.13 2.04 -0.55 -3.06 117.51 120.80 1jdi h ILE 137 Ca 0.07 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1jdi h ILE 137 Cb 0.75 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1jdi h ILE 137 CO 0.06 0.39 -0.14 0.59 0.00 0.00 0.00 178.15 179.04 1jdi n ASN 138 N -4.27 0.57 0.00 1.72 3.02 0.33 -4.32 115.26 112.31 1jdi n ASN 138 Ca 0.02 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1jdi n ASN 138 Cb 0.31 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1jdi n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jdi n GLY 139 N 1.30 0.72 3.45 7.41 0.00 -0.38 -4.87 105.19 112.82 1jdi n GLY 139 Ca 0.14 -0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1jdi n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jdi n GLU 140 N 0.00 3.32 -0.23 1.61 1.02 -1.26 -4.89 120.64 120.21 1jdi n GLU 140 Ca 0.00 -3.63 -0.06 0.00 -0.02 0.00 0.00 57.16 53.45 1jdi n GLU 140 Cb 0.00 -3.18 -0.06 0.00 -0.02 0.00 0.00 31.44 28.19 1jdi n GLU 140 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1jdi h TYR 141 N 7.15 -1.07 -0.75 -0.32 3.20 -1.75 0.60 116.97 124.03 1jdi h TYR 141 Ca 0.37 0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.35 1jdi h TYR 141 Cb 0.85 0.54 -0.05 0.00 1.54 0.00 0.00 36.73 39.61 1jdi h TYR 141 CO 1.22 -0.21 0.46 0.93 -1.64 0.00 0.00 178.16 178.92 1jdi h GLU 142 N -0.00 0.86 -0.50 1.82 3.07 -1.90 0.32 114.58 118.24 1jdi h GLU 142 Ca 0.09 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 1jdi h GLU 142 Cb 0.23 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1jdi h GLU 142 CO -0.53 0.57 -0.11 2.35 -1.40 0.00 0.00 179.01 179.89 1jdi h TRP 143 N 0.89 1.08 -0.42 4.33 2.91 -1.67 -2.41 115.95 120.66 1jdi h TRP 143 Ca 0.31 -0.23 -0.07 0.00 1.13 0.00 0.00 58.89 60.03 1jdi h TRP 143 Cb 0.06 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.43 1jdi h TRP 143 CO -0.04 1.02 -0.02 1.49 -1.03 0.00 0.00 178.44 179.87 1jdi h GLU 144 N 0.82 0.68 -0.99 2.65 4.57 0.10 -1.44 114.58 120.97 1jdi h GLU 144 Ca 0.13 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1jdi h GLU 144 Cb 0.67 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 1jdi h GLU 144 CO 0.05 0.71 0.65 1.15 -1.18 0.00 0.00 179.01 180.39 1jdi h THR 145 N 0.64 1.20 -0.62 0.32 2.02 -0.02 -0.66 112.91 115.79 1jdi h THR 145 Ca 0.13 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1jdi h THR 145 Cb 0.42 -0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1jdi h THR 145 CO 0.02 0.24 0.26 1.23 0.37 0.00 0.00 175.52 177.63 1jdi h GLY 146 N 1.29 0.98 1.00 2.16 0.00 -0.81 -2.37 103.07 105.32 1jdi h GLY 146 Ca 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1jdi h GLY 146 CO -0.11 0.49 0.33 3.43 0.00 0.00 0.00 176.54 180.69 1jdi h ASN 147 N 0.86 0.60 -0.62 0.19 2.35 -0.48 -1.47 115.58 117.01 1jdi h ASN 147 Ca 0.21 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1jdi h ASN 147 Cb 0.18 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1jdi h ASN 147 CO -0.02 0.45 0.38 0.58 -1.65 0.00 0.00 177.43 177.17 1jdi h VAL 148 N 0.69 1.18 -0.00 2.81 2.07 -0.94 0.38 116.25 122.44 1jdi h VAL 148 Ca 0.19 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jdi h VAL 148 Cb -0.06 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1jdi h VAL 148 CO -0.04 0.19 0.00 0.40 0.02 0.00 0.00 177.57 178.14 1jdi h ILE 149 N 0.87 1.20 -0.50 4.57 2.04 -0.93 -0.90 117.51 123.86 1jdi h ILE 149 Ca 0.23 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1jdi h ILE 149 Cb -0.04 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1jdi h ILE 149 CO -0.04 0.15 0.31 0.58 0.00 0.00 0.00 178.15 179.15 1jdi h VAL 150 N -0.25 1.07 -0.88 1.67 2.07 -0.60 -1.57 116.25 117.77 1jdi h VAL 150 Ca 0.00 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1jdi h VAL 150 Cb 0.25 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1jdi h VAL 150 CO 0.00 0.11 0.58 -0.08 0.02 0.00 0.00 177.57 178.20 1jdi h GLU 151 N 0.62 1.01 -0.22 1.57 4.81 -0.17 -0.64 114.58 121.55 1jdi h GLU 151 Ca 0.20 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jdi h GLU 151 Cb -0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1jdi h GLU 151 CO -0.08 0.67 0.14 1.15 -0.73 0.00 0.00 179.01 180.16 1jdi h THR 152 N 1.04 1.09 -0.47 0.32 2.02 -0.19 -0.36 112.91 116.36 1jdi h THR 152 Ca 0.37 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 1jdi h THR 152 Cb 0.12 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1jdi h THR 152 CO -0.12 0.08 -0.12 -0.26 0.37 0.00 0.00 175.52 175.47 1jdi h PHE 153 N 0.28 0.97 0.53 3.16 -1.00 -0.85 -2.68 116.94 117.34 1jdi h PHE 153 Ca 0.08 -0.19 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 1jdi h PHE 153 Cb 0.02 -0.24 0.01 0.00 3.61 0.00 0.00 35.95 39.34 1jdi h PHE 153 CO -0.05 0.94 -0.25 0.93 -1.61 0.00 0.00 178.31 178.27 1jdi h GLU 154 N 0.78 -0.68 -0.01 1.51 5.08 -0.91 0.04 114.58 120.39 1jdi h GLU 154 Ca 0.13 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1jdi h GLU 154 Cb 0.64 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1jdi h GLU 154 CO 0.04 -0.38 0.01 0.87 -1.00 0.00 0.00 179.01 178.55 1jdi h LYS 155 N -1.06 0.00 -0.27 2.33 1.57 -1.14 -1.42 116.57 116.58 1jdi h LYS 155 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jdi h LYS 155 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jdi h LYS 155 CO 0.12 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.04 1jdi n GLN 156 N -3.57 2.26 -3.64 3.15 6.02 -1.01 -4.99 117.38 115.60 1jdi n GLN 156 Ca -0.03 -2.07 -0.24 0.00 -0.01 0.00 0.00 57.00 54.65 1jdi n GLN 156 Cb 0.09 -1.45 0.07 0.00 1.02 0.00 0.00 30.24 29.97 1jdi n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jdi n GLY 157 N 1.29 -0.52 3.55 1.08 0.00 -0.54 -5.00 105.19 105.05 1jdi n GLY 157 Ca 0.16 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 1jdi n GLY 157 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jdi s ILE 158 N -3.33 3.94 -0.25 -0.61 2.07 -0.10 -5.04 121.20 117.88 1jdi s ILE 158 Ca 0.53 -0.36 -0.26 0.00 -1.41 0.00 0.00 60.65 59.15 1jdi s ILE 158 Cb -0.24 -2.69 0.00 0.00 0.13 0.00 0.00 42.46 39.66 1jdi s ILE 158 CO 0.75 0.53 0.93 -0.62 -1.91 0.00 0.00 174.94 174.62 1jdi s ASP 159 N -0.09 6.92 0.61 4.50 3.68 -1.26 -4.64 116.67 126.39 1jdi s ASP 159 Ca 0.02 1.12 0.31 0.00 2.13 0.00 0.00 52.55 56.13 1jdi s ASP 159 Cb -0.13 -2.48 1.78 0.00 -1.45 0.00 0.00 42.92 40.64 1jdi s ASP 159 CO 0.02 -0.62 2.12 0.00 0.13 0.00 0.00 175.17 176.82 1jdi h ALA 160 N 7.69 1.61 0.00 3.66 0.00 -1.96 0.16 119.26 130.42 1jdi h ALA 160 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jdi h ALA 160 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jdi h ALA 160 CO 0.93 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1jdi h ALA 161 N 1.74 1.00 -0.00 0.00 0.00 -1.99 -3.24 119.26 116.77 1jdi h ALA 161 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jdi h ALA 161 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jdi h ALA 161 CO -0.00 0.00 -0.39 1.04 0.00 0.00 0.00 179.25 179.90 1jdi n GLN 162 N -2.36 2.70 -3.44 0.00 6.02 0.51 -4.76 117.38 116.05 1jdi n GLN 162 Ca 0.05 -0.31 -0.26 0.00 -0.01 0.00 0.00 57.00 56.46 1jdi n GLN 162 Cb 0.41 -1.08 -0.09 0.00 1.02 0.00 0.00 30.24 30.50 1jdi n GLN 162 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1jdi n MET 163 N -0.77 0.83 -0.09 -1.09 1.56 -0.86 -1.19 117.12 115.51 1jdi n MET 163 Ca 0.03 -3.57 0.00 0.00 -0.27 0.00 0.00 57.70 53.90 1jdi n MET 163 Cb 0.21 -1.73 0.00 0.00 2.15 0.00 0.00 33.22 33.85 1jdi n MET 163 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1jdi n PRO 164 N 2.15 0.45 -3.48 2.12 -0.04 -1.25 -4.74 135.00 130.20 1jdi n PRO 164 Ca 0.26 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1jdi n PRO 164 Cb 0.46 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 1jdi n PRO 164 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jdi s GLY 165 N 1.39 -0.52 -0.02 0.55 0.00 -1.26 -1.64 107.32 105.83 1jdi s GLY 165 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 44.72 45.17 1jdi s GLY 165 CO 0.00 0.24 0.73 0.54 0.00 0.00 0.00 173.10 174.62 1jdi s VAL 166 N -3.40 0.00 -0.15 1.40 0.11 0.04 -4.56 120.40 113.84 1jdi s VAL 166 Ca 0.04 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1jdi s VAL 166 Cb -0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1jdi s VAL 166 CO -0.10 0.00 -0.11 -0.76 -3.33 0.00 0.00 175.10 170.80 1jdi s LEU 167 N -1.61 2.77 -0.34 2.54 1.43 0.73 -1.01 118.68 123.19 1jdi s LEU 167 Ca -0.06 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1jdi s LEU 167 Cb -0.00 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1jdi s LEU 167 CO 0.02 0.13 0.38 -0.69 0.23 0.00 0.00 176.35 176.43 1jdi s VAL 168 N 0.54 5.15 -0.04 -1.59 1.01 -0.22 -0.10 120.40 125.15 1jdi s VAL 168 Ca -0.08 0.13 -0.35 0.00 0.00 0.00 0.00 61.98 61.69 1jdi s VAL 168 Cb -0.15 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 1jdi s VAL 168 CO 0.04 -0.08 0.95 1.57 0.00 0.00 0.00 175.10 177.58 1jdi n HIS 169 N 5.42 0.63 -0.96 5.22 -0.00 -1.26 -0.02 115.22 124.26 1jdi n HIS 169 Ca -0.09 0.91 0.00 0.00 0.46 0.00 0.00 57.72 59.01 1jdi n HIS 169 Cb 0.49 -1.79 0.00 0.00 -0.12 0.00 0.00 29.99 28.57 1jdi n HIS 169 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1jdi n SER 170 N 1.48 -5.49 0.00 0.26 7.64 0.02 -4.76 113.62 112.77 1jdi n SER 170 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1jdi n SER 170 Cb 0.06 -3.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1jdi n SER 170 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1jdi n HIS 171 N -2.02 0.00 -1.24 1.43 -0.00 0.97 -4.82 115.22 109.55 1jdi n HIS 171 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1jdi n HIS 171 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1jdi n HIS 171 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jdi n GLY 172 N 4.20 -1.44 3.84 1.57 0.00 -1.01 -4.83 105.19 107.52 1jdi n GLY 172 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1jdi n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jdi s PRO 173 N -1.42 4.07 -0.04 1.61 0.04 -1.23 -1.05 135.00 136.96 1jdi s PRO 173 Ca 0.00 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.00 1jdi s PRO 173 Cb 0.00 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1jdi s PRO 173 CO 0.00 -0.09 -0.04 -0.06 0.04 0.00 0.00 177.00 176.85 1jdi s PHE 174 N -2.32 0.70 0.23 0.56 0.08 -0.18 -3.18 117.98 113.87 1jdi s PHE 174 Ca 0.59 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.50 1jdi s PHE 174 Cb -0.10 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 1jdi s PHE 174 CO 0.21 -0.18 -0.03 0.00 -0.10 0.00 0.00 175.22 175.13 1jdi s ALA 175 N 0.91 1.89 0.27 5.36 0.00 0.37 -0.78 121.76 129.78 1jdi s ALA 175 Ca -0.11 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 49.94 1jdi s ALA 175 Cb -0.14 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1jdi s ALA 175 CO 0.00 -0.19 0.55 1.67 0.00 0.00 0.00 175.76 177.79 1jdi s TRP 176 N -3.32 0.29 0.00 0.00 -2.14 -0.65 0.06 118.94 113.18 1jdi s TRP 176 Ca 0.27 -0.68 0.00 0.00 2.66 0.00 0.00 56.10 58.35 1jdi s TRP 176 Cb 0.05 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.74 1jdi s TRP 176 CO 0.08 -1.10 0.00 0.41 -2.66 0.00 0.00 176.95 173.68 1jdi n GLY 177 N -0.42 1.60 0.23 3.67 0.00 -0.50 -4.50 105.19 105.27 1jdi n GLY 177 Ca -0.02 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.14 1jdi n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jdi h LYS 178 N 0.00 0.00 0.00 1.61 1.57 -1.87 0.15 116.57 118.03 1jdi h LYS 178 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1jdi h LYS 178 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jdi h LYS 178 CO 0.00 0.19 0.13 0.27 -0.57 0.00 0.00 179.45 179.47 1jdi n ASN 179 N -3.91 -1.35 0.09 0.86 0.23 -1.26 -3.60 115.26 106.32 1jdi n ASN 179 Ca -0.02 -2.04 -0.12 0.00 -0.53 0.00 0.00 54.58 51.87 1jdi n ASN 179 Cb 0.28 2.28 -0.05 0.00 -2.08 0.00 0.00 39.78 40.20 1jdi n ASN 179 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jdi h ALA 180 N 1.97 -0.29 -0.27 -2.53 0.00 -1.83 -0.97 119.26 115.33 1jdi h ALA 180 Ca -0.21 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1jdi h ALA 180 Cb 0.78 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1jdi h ALA 180 CO 0.26 -0.71 0.11 1.49 0.00 0.00 0.00 179.25 180.41 1jdi h GLU 181 N -0.35 0.24 -0.84 0.00 4.81 -1.97 -1.45 114.58 115.04 1jdi h GLU 181 Ca 0.03 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1jdi h GLU 181 Cb 0.38 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1jdi h GLU 181 CO -0.13 0.16 0.55 0.22 -0.73 0.00 0.00 179.01 179.08 1jdi h ASP 182 N 0.25 0.86 -0.29 1.04 3.58 -1.90 -1.49 116.42 118.47 1jdi h ASP 182 Ca 0.11 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.42 1jdi h ASP 182 Cb 0.06 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1jdi h ASP 182 CO -0.10 0.58 -0.32 0.00 -2.88 0.00 0.00 179.24 176.52 1jdi h ALA 183 N 1.52 0.74 -0.49 -0.78 0.00 -0.61 -2.01 119.26 117.63 1jdi h ALA 183 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jdi h ALA 183 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jdi h ALA 183 CO -0.11 0.66 0.26 0.28 0.00 0.00 0.00 179.25 180.34 1jdi h VAL 184 N 0.68 1.18 -0.58 0.00 2.07 -0.46 -0.49 116.25 118.65 1jdi h VAL 184 Ca 0.07 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1jdi h VAL 184 Cb 0.87 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1jdi h VAL 184 CO 0.08 0.19 0.37 0.45 0.02 0.00 0.00 177.57 178.68 1jdi h HIS 185 N 0.65 0.74 -0.19 1.57 -0.00 -1.09 -0.70 115.15 116.13 1jdi h HIS 185 Ca 0.17 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 1jdi h HIS 185 Cb 0.07 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1jdi h HIS 185 CO -0.02 0.48 -0.14 -0.91 -0.00 0.00 0.00 177.93 177.34 1jdi h ASN 186 N 0.78 0.30 -0.35 2.45 2.35 -1.02 -1.49 115.58 118.60 1jdi h ASN 186 Ca 0.21 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1jdi h ASN 186 Cb -0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1jdi h ASN 186 CO -0.04 0.47 -0.25 0.00 -1.65 0.00 0.00 177.43 175.96 1jdi h ALA 187 N 1.56 0.78 -0.12 -0.83 0.00 -0.13 0.12 119.26 120.64 1jdi h ALA 187 Ca 0.06 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 1jdi h ALA 187 Cb 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jdi h ALA 187 CO 0.03 0.65 -0.69 -0.84 0.00 0.00 0.00 179.25 178.40 1jdi h ILE 188 N 0.74 1.34 -0.48 0.00 -0.00 -0.70 -2.34 117.51 116.07 1jdi h ILE 188 Ca 0.09 -2.01 -0.13 0.00 -0.00 0.00 0.00 64.86 62.81 1jdi h ILE 188 Cb 0.79 1.99 -0.01 0.00 -0.00 0.00 0.00 36.82 39.59 1jdi h ILE 188 CO 0.07 0.62 -0.21 0.58 -0.00 0.00 0.00 178.15 179.20 1jdi h VAL 189 N 0.37 1.27 -0.57 0.16 2.07 -1.19 -1.29 116.25 117.06 1jdi h VAL 189 Ca -0.02 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.19 1jdi h VAL 189 Cb 1.26 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 1jdi h VAL 189 CO 0.13 0.48 0.24 0.25 0.02 0.00 0.00 177.57 178.68 1jdi h LEU 190 N 0.86 0.28 -0.64 2.57 5.85 -0.87 0.13 115.31 123.48 1jdi h LEU 190 Ca 0.11 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1jdi h LEU 190 Cb 0.79 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1jdi h LEU 190 CO 0.07 0.18 0.26 -0.08 -0.34 0.00 0.00 178.44 178.53 1jdi h GLU 191 N 0.44 0.94 0.03 1.25 4.57 -1.20 -1.26 114.58 119.36 1jdi h GLU 191 Ca 0.27 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1jdi h GLU 191 Cb 0.28 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1jdi h GLU 191 CO -0.25 0.79 -0.02 1.49 -1.18 0.00 0.00 179.01 179.85 1jdi h GLU 192 N 0.89 -0.04 0.00 1.92 4.57 0.03 -0.41 114.58 121.54 1jdi h GLU 192 Ca 0.21 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1jdi h GLU 192 Cb 0.19 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1jdi h GLU 192 CO -0.02 -0.01 -0.26 -0.39 -1.18 0.00 0.00 179.01 177.15 1jdi h VAL 193 N -0.06 0.67 -0.39 0.32 -1.51 -0.73 -1.70 116.25 112.84 1jdi h VAL 193 Ca -0.00 -1.19 -0.07 0.00 -1.23 0.00 0.00 66.70 64.20 1jdi h VAL 193 Cb 0.05 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1jdi h VAL 193 CO 0.01 0.26 -0.05 0.00 -1.23 0.00 0.00 177.57 176.56 1jdi h ALA 194 N 1.74 0.53 0.43 5.19 0.00 -0.77 0.13 119.26 126.51 1jdi h ALA 194 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1jdi h ALA 194 Cb 0.76 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jdi h ALA 194 CO 0.03 0.35 -0.21 -0.92 0.00 0.00 0.00 179.25 178.51 1jdi h TYR 195 N 0.54 -0.54 -0.05 0.00 5.03 -0.59 -2.63 116.97 118.73 1jdi h TYR 195 Ca 0.11 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.37 1jdi h TYR 195 Cb 0.54 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 1jdi h TYR 195 CO 0.04 -0.26 -0.14 0.52 -1.32 0.00 0.00 178.16 177.01 1jdi h MET 196 N -0.74 0.07 -0.23 1.82 2.86 -1.33 -2.45 114.93 114.94 1jdi h MET 196 Ca -0.06 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1jdi h MET 196 Cb 0.52 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1jdi h MET 196 CO 0.10 0.21 -0.09 0.78 1.06 0.00 0.00 176.91 178.97 1jdi h GLY 197 N 0.54 0.39 0.88 8.32 0.00 -0.54 0.05 103.07 112.70 1jdi h GLY 197 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1jdi h GLY 197 CO 0.02 0.22 0.01 -2.22 0.00 0.00 0.00 176.54 174.57 1jdi h ILE 198 N 0.34 1.25 0.00 2.60 2.04 -1.07 -2.89 117.51 119.78 1jdi h ILE 198 Ca 0.07 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 1jdi h ILE 198 Cb 0.37 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1jdi h ILE 198 CO 0.02 0.29 -0.80 -0.26 0.00 0.00 0.00 178.15 177.40 1jdi h PHE 199 N 0.30 0.00 0.00 1.37 0.04 -1.52 -2.84 116.94 114.29 1jdi h PHE 199 Ca 0.08 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 1jdi h PHE 199 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1jdi h PHE 199 CO 0.03 0.31 -0.43 0.00 -0.60 0.00 0.00 178.31 177.63 1jdi h ARG 201 N 0.00 0.87 -0.74 0.00 2.43 -1.52 0.18 114.38 115.60 1jdi h ARG 201 Ca -0.00 -0.55 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1jdi h ARG 201 Cb 1.13 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1jdi h ARG 201 CO 0.06 1.18 0.45 0.37 -1.51 0.00 0.00 179.97 180.52 1jdi h GLN 202 N 0.66 1.00 -0.23 0.20 4.15 -1.24 0.19 115.11 119.84 1jdi h GLN 202 Ca 0.02 -0.09 -0.15 0.00 0.77 0.00 0.00 58.65 59.20 1jdi h GLN 202 Cb 1.13 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 1jdi h GLN 202 CO 0.12 0.71 -0.48 -0.07 -1.93 0.00 0.00 178.83 177.18 1jdi h LEU 203 N 1.01 0.68 -6.51 -2.39 3.38 -1.20 -3.38 115.31 106.90 1jdi h LEU 203 Ca 0.27 -0.33 -0.60 0.00 0.09 0.00 0.00 57.88 57.31 1jdi h LEU 203 Cb -0.04 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 40.13 1jdi h LEU 203 CO -0.05 1.05 -0.90 0.00 0.09 0.00 0.00 178.44 178.63 1jdi s ALA 204 N -4.14 1.86 0.62 1.53 0.00 0.04 -4.98 121.76 116.69 1jdi s ALA 204 Ca -0.08 -2.72 0.34 0.00 0.00 0.00 0.00 51.96 49.51 1jdi s ALA 204 Cb 0.12 -1.70 1.97 0.00 0.00 0.00 0.00 23.12 23.51 1jdi s ALA 204 CO 0.84 -2.00 2.24 -1.00 0.00 0.00 0.00 175.76 175.84 1jdi h PRO 205 N 5.61 0.00 -0.40 0.00 0.13 -0.84 -1.55 132.00 134.96 1jdi h PRO 205 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1jdi h PRO 205 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1jdi h PRO 205 CO 0.44 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.25 1jdi n GLN 206 N -3.53 3.62 -1.73 0.86 3.00 -1.26 -5.00 117.38 113.34 1jdi n GLN 206 Ca -0.02 -2.91 -0.42 0.00 -0.01 0.00 0.00 57.00 53.64 1jdi n GLN 206 Cb 0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 30.24 28.41 1jdi n GLN 206 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1jdi s LEU 207 N -2.64 4.40 0.54 1.08 1.98 -0.58 -4.98 118.68 118.48 1jdi s LEU 207 Ca 0.46 2.74 -0.15 0.00 -2.89 0.00 0.00 54.13 54.29 1jdi s LEU 207 Cb 0.35 -3.57 -0.07 0.00 0.66 0.00 0.00 46.19 43.57 1jdi s LEU 207 CO 0.13 -1.00 0.99 -2.16 -1.89 0.00 0.00 176.35 172.41 1jdi s PRO 208 N 2.77 3.84 0.79 0.98 0.04 -1.26 -5.01 135.00 137.14 1jdi s PRO 208 Ca 0.81 0.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 1jdi s PRO 208 Cb -0.46 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 31.98 1jdi s PRO 208 CO 0.36 -0.34 0.89 -0.25 0.04 0.00 0.00 177.00 177.70 1jdi n ASP 209 N -1.91 -0.01 -4.67 6.66 10.43 -1.26 -4.91 116.55 120.88 1jdi n ASP 209 Ca 0.06 0.57 -0.31 0.00 2.57 0.00 0.00 54.79 57.68 1jdi n ASP 209 Cb 0.54 -1.38 0.16 0.00 1.84 0.00 0.00 41.12 42.28 1jdi n ASP 209 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 1jdi n MET 210 N -2.16 -0.35 -1.67 -1.24 0.00 -0.17 -4.89 117.12 106.64 1jdi n MET 210 Ca 0.12 -0.03 -0.46 0.00 0.00 0.00 0.00 57.70 57.32 1jdi n MET 210 Cb 0.50 -2.37 -0.04 0.00 0.00 0.00 0.00 33.22 31.31 1jdi n MET 210 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1jdi n GLN 211 N -4.02 2.19 -0.36 3.17 6.02 -1.26 -4.86 117.38 118.26 1jdi n GLN 211 Ca 0.12 0.79 0.08 0.00 -0.01 0.00 0.00 57.00 57.98 1jdi n GLN 211 Cb 0.52 -2.57 0.25 0.00 1.02 0.00 0.00 30.24 29.46 1jdi n GLN 211 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1jdi h GLN 212 N 6.18 0.94 -0.88 -1.09 5.75 -1.99 -0.57 115.11 123.44 1jdi h GLN 212 Ca -0.45 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.01 1jdi h GLN 212 Cb 1.25 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 29.54 1jdi h GLN 212 CO 0.90 0.62 0.58 1.15 -2.65 0.00 0.00 178.83 179.43 1jdi h THR 213 N 0.96 1.21 -0.32 2.39 2.02 -1.99 0.89 112.91 118.07 1jdi h THR 213 Ca 0.51 -0.40 -0.17 0.00 0.77 0.00 0.00 66.41 67.12 1jdi h THR 213 Cb 0.55 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1jdi h THR 213 CO -0.28 0.21 -0.48 0.25 0.37 0.00 0.00 175.52 175.59 1jdi h LEU 214 N 1.17 0.97 -0.24 2.58 5.85 -1.53 -0.12 115.31 123.99 1jdi h LEU 214 Ca 0.33 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1jdi h LEU 214 Cb -0.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 1jdi h LEU 214 CO -0.08 1.29 0.15 0.25 -0.34 0.00 0.00 178.44 179.71 1jdi h LEU 215 N 0.68 0.28 -0.26 2.25 6.46 -0.72 -2.10 115.31 121.90 1jdi h LEU 215 Ca 0.03 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1jdi h LEU 215 Cb 1.09 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1jdi h LEU 215 CO 0.11 0.23 0.14 0.78 -0.62 0.00 0.00 178.44 179.08 1jdi h ASN 216 N 0.31 0.33 -0.21 1.25 2.35 -0.74 -0.46 115.58 118.41 1jdi h ASN 216 Ca 0.09 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1jdi h ASN 216 Cb -0.01 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.21 1jdi h ASN 216 CO -0.02 0.32 -0.24 0.50 -1.65 0.00 0.00 177.43 176.35 1jdi h LYS 217 N 0.31 -0.25 -0.11 0.81 3.11 -0.79 -0.91 116.57 118.74 1jdi h LYS 217 Ca 0.09 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1jdi h LYS 217 Cb 0.06 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1jdi h LYS 217 CO -0.01 -0.17 -0.05 0.45 -2.81 0.00 0.00 179.45 176.85 1jdi h HIS 218 N -0.26 0.27 -0.08 1.91 3.86 -1.27 -2.22 115.15 117.36 1jdi h HIS 218 Ca 0.12 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 1jdi h HIS 218 Cb 0.45 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1jdi h HIS 218 CO -0.37 0.58 -0.17 -0.92 0.86 0.00 0.00 177.93 177.91 1jdi h TYR 219 N -0.12 0.33 -0.15 2.45 5.03 -0.83 -3.25 116.97 120.44 1jdi h TYR 219 Ca 0.02 -0.12 -0.06 0.00 2.58 0.00 0.00 58.73 61.15 1jdi h TYR 219 Cb 0.51 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1jdi h TYR 219 CO 0.07 0.77 -0.20 -0.07 -1.32 0.00 0.00 178.16 177.41 1jdi h LEU 220 N -0.21 0.24 0.11 2.82 4.07 -1.30 -3.04 115.31 118.00 1jdi h LEU 220 Ca 0.00 -0.06 0.02 0.00 0.08 0.00 0.00 57.88 57.92 1jdi h LEU 220 Cb 0.75 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.39 1jdi h LEU 220 CO 0.04 0.45 -0.32 -0.09 -1.08 0.00 0.00 178.44 177.44 1jdi h ARG 221 N 0.23 -0.51 0.00 1.13 2.43 -1.43 -3.41 114.38 112.82 1jdi h ARG 221 Ca 0.04 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1jdi h ARG 221 Cb 0.48 0.12 0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1jdi h ARG 221 CO 0.03 -0.34 0.06 1.63 -1.51 0.00 0.00 179.97 179.84 1jdi n LYS 222 N -5.42 0.02 -0.18 0.20 5.02 -1.15 -5.11 118.16 111.54 1jdi n LYS 222 Ca -0.06 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 1jdi n LYS 222 Cb 0.33 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1jdi n LYS 222 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60