#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 -0.39 -0.36 3.17 4.77 -1.26 -5.01 117.00 117.92 1jdi n LEU 2 Ca 0.00 -3.69 0.02 0.00 -0.03 0.00 0.00 56.01 52.31 1jdi n LEU 2 Cb 0.00 0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1jdi n LEU 2 CO 0.00 1.80 0.60 -0.62 -1.33 0.00 0.00 177.39 177.85 1jdi n GLU 3 N -0.24 -0.16 -0.16 3.23 4.71 -1.26 -0.70 120.64 126.06 1jdi n GLU 3 Ca 0.05 1.51 -0.08 0.00 -0.01 0.00 0.00 57.16 58.62 1jdi n GLU 3 Cb 0.81 -2.25 0.01 0.00 -1.01 0.00 0.00 31.44 29.00 1jdi n GLU 3 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1jdi h ASP 4 N 0.00 0.58 -0.59 1.62 -0.00 -1.99 -0.44 116.42 115.60 1jdi h ASP 4 Ca 0.40 -0.10 0.01 0.00 -0.00 0.00 0.00 57.03 57.34 1jdi h ASP 4 Cb 0.64 -0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 39.79 1jdi h ASP 4 CO -0.98 0.52 0.39 0.25 -0.00 0.00 0.00 179.24 179.41 1jdi h LEU 5 N 0.60 0.66 -1.44 2.28 6.46 -1.34 -0.30 115.31 122.24 1jdi h LEU 5 Ca 0.16 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1jdi h LEU 5 Cb 0.08 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1jdi h LEU 5 CO -0.02 0.47 0.38 0.11 -0.62 0.00 0.00 178.44 178.76 1jdi h LYS 6 N 0.78 0.75 -0.24 1.25 1.57 -0.53 -0.05 116.57 120.10 1jdi h LYS 6 Ca 0.22 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1jdi h LYS 6 Cb -0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1jdi h LYS 6 CO -0.06 0.50 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.22 1jdi h ARG 7 N 0.78 0.43 -0.05 3.15 1.12 0.16 0.33 114.38 120.30 1jdi h ARG 7 Ca 0.21 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1jdi h ARG 7 Cb -0.09 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 29.83 1jdi h ARG 7 CO -0.05 0.61 0.03 1.96 -3.11 0.00 0.00 179.97 179.41 1jdi h GLN 8 N 0.19 0.05 -0.51 0.20 4.20 -0.34 -0.74 115.11 118.16 1jdi h GLN 8 Ca 0.07 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1jdi h GLN 8 Cb 0.42 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1jdi h GLN 8 CO 0.01 0.04 0.22 0.28 -0.67 0.00 0.00 178.83 178.71 1jdi h VAL 9 N 0.06 1.18 0.04 -0.54 2.07 -0.98 0.81 116.25 118.89 1jdi h VAL 9 Ca 0.02 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jdi h VAL 9 Cb -0.00 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1jdi h VAL 9 CO -0.01 0.22 -0.02 0.25 0.02 0.00 0.00 177.57 178.03 1jdi h LEU 10 N 0.73 -0.04 -0.75 2.57 6.46 -0.47 -1.45 115.31 122.36 1jdi h LEU 10 Ca 0.18 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1jdi h LEU 10 Cb 0.12 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 1jdi h LEU 10 CO -0.02 0.22 0.48 -0.33 -0.62 0.00 0.00 178.44 178.17 1jdi h GLU 11 N -0.31 1.00 -0.28 1.25 5.08 -0.73 -0.55 114.58 120.03 1jdi h GLU 11 Ca -0.01 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1jdi h GLU 11 Cb 0.28 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1jdi h GLU 11 CO 0.01 0.68 0.15 0.00 -1.00 0.00 0.00 179.01 178.85 1jdi h ALA 12 N 1.26 0.35 -0.84 3.43 0.00 -0.75 0.04 119.26 122.75 1jdi h ALA 12 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1jdi h ALA 12 Cb -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1jdi h ALA 12 CO -0.06 -0.23 0.45 -0.91 0.00 0.00 0.00 179.25 178.51 1jdi h ASN 13 N 0.31 1.05 0.43 0.00 2.35 -0.85 -1.73 115.58 117.14 1jdi h ASN 13 Ca 0.11 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1jdi h ASN 13 Cb 0.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1jdi h ASN 13 CO -0.07 0.85 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.32 1jdi h LEU 14 N 1.17 0.00 -1.10 1.61 4.07 -0.53 -2.53 115.31 118.00 1jdi h LEU 14 Ca 0.29 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.20 1jdi h LEU 14 Cb 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1jdi h LEU 14 CO -0.05 0.17 -0.27 0.00 -1.08 0.00 0.00 178.44 177.21 1jdi h ALA 15 N 1.83 1.03 0.30 1.53 0.00 -0.06 -3.29 119.26 120.61 1jdi h ALA 15 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jdi h ALA 15 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jdi h ALA 15 CO 0.02 0.34 -0.31 -0.07 0.00 0.00 0.00 179.25 179.23 1jdi h LEU 16 N 0.00 -0.83 -1.28 0.00 4.07 -1.35 -1.52 115.31 114.40 1jdi h LEU 16 Ca -0.00 0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1jdi h LEU 16 Cb 0.77 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1jdi h LEU 16 CO 0.04 -0.44 -0.31 1.55 -1.08 0.00 0.00 178.44 178.20 1jdi h PRO 17 N -0.64 0.00 -0.34 1.13 0.13 -1.74 -1.64 132.00 128.91 1jdi h PRO 17 Ca -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1jdi h PRO 17 Cb 0.59 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1jdi h PRO 17 CO -0.07 0.31 -0.07 0.87 -0.23 0.00 0.00 178.00 178.81 1jdi h LYS 18 N 0.00 0.55 -0.66 0.86 1.57 -1.52 -2.31 116.57 115.06 1jdi h LYS 18 Ca -0.00 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1jdi h LYS 18 Cb 0.68 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1jdi h LYS 18 CO 0.04 0.63 0.04 0.72 -0.57 0.00 0.00 179.45 180.32 1jdi n HIS 19 N -4.22 1.92 -4.12 -1.35 8.25 -0.61 -4.93 115.22 110.15 1jdi n HIS 19 Ca 0.01 -0.72 -0.34 0.00 -0.26 0.00 0.00 57.72 56.42 1jdi n HIS 19 Cb 0.30 -0.50 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 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 0.45 -3.47 -0.41 0.41 3.02 -0.87 -4.82 115.26 109.56 1jdi n ASN 20 Ca 0.27 -0.95 0.12 0.00 -0.03 0.00 0.00 54.58 53.99 1jdi n ASN 20 Cb 1.13 -3.09 0.15 0.00 -0.61 0.00 0.00 39.78 37.35 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 -4.47 1.67 -3.83 3.41 4.77 -0.63 -4.81 117.00 113.11 1jdi n LEU 21 Ca 0.03 -0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 55.35 1jdi n LEU 21 Cb 0.52 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1jdi n LEU 21 CO 0.82 0.31 0.35 0.54 -1.33 0.00 0.00 177.39 178.08 1jdi s VAL 22 N -2.47 0.01 0.15 4.08 0.11 -1.24 -2.86 120.40 118.17 1jdi s VAL 22 Ca 0.21 -0.97 -0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1jdi s VAL 22 Cb 0.19 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1jdi s VAL 22 CO 0.55 -0.03 0.06 -0.89 -3.33 0.00 0.00 175.10 171.45 1jdi s THR 23 N -3.92 0.22 0.00 5.04 2.01 -1.26 -4.69 115.64 113.04 1jdi s THR 23 Ca 0.12 -1.94 0.00 0.00 0.31 0.00 0.00 61.69 60.19 1jdi s THR 23 Cb -0.03 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1jdi s THR 23 CO 0.03 -0.39 0.00 0.18 -0.69 0.00 0.00 174.62 173.76 1jdi n LEU 24 N -0.16 0.00 -0.91 4.42 4.77 -1.26 -1.79 117.00 122.07 1jdi n LEU 24 Ca -0.04 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.01 1jdi n LEU 24 Cb 0.64 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.96 1jdi n LEU 24 CO 0.32 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.42 1jdi n THR 25 N 0.00 1.59 -0.96 -5.08 -2.24 -1.26 -4.80 114.28 101.54 1jdi n THR 25 Ca 0.00 -1.33 -0.30 0.00 -2.27 0.00 0.00 64.05 60.15 1jdi n THR 25 Cb 0.00 0.18 0.16 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.77 1.99 0.00 4.78 0.51 -0.74 -4.89 118.94 118.83 1jdi s TRP 26 Ca 0.35 1.43 0.00 0.00 -2.12 0.00 0.00 56.10 55.76 1jdi s TRP 26 Cb 0.24 -3.18 0.00 0.00 -0.81 0.00 0.00 33.47 29.72 1jdi s TRP 26 CO 0.15 -2.69 0.00 0.41 -0.51 0.00 0.00 176.95 174.32 1jdi n GLY 27 N -0.44 -1.42 3.63 0.98 0.00 -1.26 -4.70 105.19 101.99 1jdi n GLY 27 Ca 0.08 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.72 -0.34 0.12 1.61 2.20 0.40 -4.98 114.94 111.23 1jdi s ASN 28 Ca 0.00 0.61 0.09 0.00 -0.94 0.00 0.00 52.86 52.62 1jdi s ASN 28 Cb 0.00 0.60 -0.04 0.00 -2.00 0.00 0.00 41.25 39.81 1jdi s ASN 28 CO 0.00 -0.15 -0.22 -0.69 -2.94 0.00 0.00 177.10 173.10 1jdi s VAL 29 N -0.09 1.84 0.06 3.54 1.01 -1.26 -0.59 120.40 124.90 1jdi s VAL 29 Ca 0.03 -1.64 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 1jdi s VAL 29 Cb -0.04 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1jdi s VAL 29 CO -0.07 -0.06 0.22 -0.94 0.00 0.00 0.00 175.10 174.25 1jdi s SER 30 N -2.04 0.01 0.02 3.32 1.04 -0.45 -2.16 113.70 113.44 1jdi s SER 30 Ca 0.09 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1jdi s SER 30 Cb -0.09 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1jdi s SER 30 CO 0.05 -0.62 -0.04 0.00 0.98 0.00 0.00 173.24 173.61 1jdi s ALA 31 N -2.93 0.26 0.31 5.32 0.00 -0.39 -0.79 121.76 123.54 1jdi s ALA 31 Ca -0.02 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.56 1jdi s ALA 31 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1jdi s ALA 31 CO -0.06 -0.04 0.31 0.54 0.00 0.00 0.00 175.76 176.51 1jdi s VAL 32 N -0.89 4.03 -0.38 0.00 0.11 -0.26 -0.85 120.40 122.16 1jdi s VAL 32 Ca -0.08 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 57.71 1jdi s VAL 32 Cb -0.06 -3.35 0.14 0.00 -1.53 0.00 0.00 36.38 31.58 1jdi s VAL 32 CO -0.00 -0.23 0.23 -0.62 -3.33 0.00 0.00 175.10 171.14 1jdi s ASP 33 N -3.99 3.10 0.18 3.54 3.68 0.16 -4.96 116.67 118.38 1jdi s ASP 33 Ca 0.39 -2.35 -0.14 0.00 2.13 0.00 0.00 52.55 52.58 1jdi s ASP 33 Cb -0.07 -0.58 0.17 0.00 -1.45 0.00 0.00 42.92 40.99 1jdi s ASP 33 CO 0.27 -0.29 1.69 0.03 0.13 0.00 0.00 175.17 177.00 1jdi h ARG 34 N 6.87 0.13 -0.63 4.34 2.47 -1.97 -1.26 114.38 124.33 1jdi h ARG 34 Ca 0.05 -0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.87 1jdi h ARG 34 Cb 0.95 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 29.17 1jdi h ARG 34 CO 0.33 0.08 0.22 0.93 0.56 0.00 0.00 179.97 182.09 1jdi h GLU 35 N 0.13 0.38 -0.00 0.04 5.08 -1.95 0.62 114.58 118.88 1jdi h GLU 35 Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1jdi h GLU 35 Cb 0.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jdi h GLU 35 CO -0.39 0.25 -0.05 0.54 -1.00 0.00 0.00 179.01 178.36 1jdi n ARG 36 N -5.02 0.67 -3.65 2.33 5.12 -0.99 -4.93 116.66 110.20 1jdi n ARG 36 Ca 0.09 -0.13 -0.21 0.00 -1.93 0.00 0.00 57.85 55.67 1jdi n ARG 36 Cb 0.30 -1.50 0.05 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 1.24 -0.34 3.36 -0.13 0.00 0.21 -4.98 105.19 104.54 1jdi n GLY 37 Ca 0.16 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.53 0.06 0.02 1.61 0.11 -1.00 -2.56 120.40 115.10 1jdi s VAL 38 Ca 0.10 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1jdi s VAL 38 Cb -0.05 -1.36 -0.01 0.00 -1.53 0.00 0.00 36.38 33.42 1jdi s VAL 38 CO 0.79 -0.29 0.01 0.72 -3.33 0.00 0.00 175.10 173.00 1jdi s PHE 39 N -3.85 0.20 -0.14 1.54 -0.71 -0.18 -0.67 117.98 114.18 1jdi s PHE 39 Ca 0.06 -0.42 -0.05 0.00 -1.04 0.00 0.00 56.93 55.48 1jdi s PHE 39 Cb 0.02 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1jdi s PHE 39 CO -0.08 -0.21 0.04 0.08 -1.34 0.00 0.00 175.22 173.70 1jdi s VAL 40 N -1.42 4.60 0.04 -2.49 1.01 -0.03 -0.75 120.40 121.35 1jdi s VAL 40 Ca -0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1jdi s VAL 40 Cb -0.09 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1jdi s VAL 40 CO -0.00 0.52 -0.03 -0.51 0.00 0.00 0.00 175.10 175.08 1jdi s ILE 41 N -0.15 0.17 0.57 2.22 2.07 -0.33 -1.26 121.20 124.50 1jdi s ILE 41 Ca 0.06 -1.38 -0.19 0.00 -1.41 0.00 0.00 60.65 57.72 1jdi s ILE 41 Cb -0.12 -0.92 -0.06 0.00 0.13 0.00 0.00 42.46 41.48 1jdi s ILE 41 CO 0.02 -0.76 0.93 1.17 -1.91 0.00 0.00 174.94 174.39 1jdi n LYS 42 N 0.82 0.95 -2.68 3.50 4.81 -0.92 -1.78 118.16 122.86 1jdi n LYS 42 Ca -0.19 0.36 -0.28 0.00 -0.87 0.00 0.00 58.31 57.33 1jdi n LYS 42 Cb 0.58 -2.11 -0.01 0.00 0.02 0.00 0.00 35.03 33.52 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 -2.57 3.60 -0.02 1.64 0.04 -1.26 -1.55 135.00 134.88 1jdi s PRO 43 Ca 0.73 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 1jdi s PRO 43 Cb -0.44 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 1jdi s PRO 43 CO 0.49 -0.17 0.44 0.45 0.04 0.00 0.00 177.00 178.26 1jdi s SER 44 N -3.88 6.80 -0.00 6.66 0.15 0.18 -4.38 113.70 119.23 1jdi s SER 44 Ca 0.48 0.95 -0.00 0.00 0.70 0.00 0.00 55.95 58.08 1jdi s SER 44 Cb -0.10 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1jdi s SER 44 CO 0.42 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.70 1jdi n GLY 45 N 2.21 0.47 2.85 9.45 0.00 -1.26 -4.59 105.19 114.32 1jdi n GLY 45 Ca -0.12 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.17 0.53 0.54 1.61 1.01 -1.26 -5.13 120.40 115.53 1jdi s VAL 46 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1jdi s VAL 46 Cb -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1jdi s VAL 46 CO 0.00 0.26 1.22 -1.81 0.00 0.00 0.00 175.10 174.77 1jdi s ASP 47 N 1.42 5.54 0.43 3.32 1.01 -1.26 -4.86 116.67 122.26 1jdi s ASP 47 Ca -0.03 2.43 0.09 0.00 0.71 0.00 0.00 52.55 55.75 1jdi s ASP 47 Cb -0.13 -2.61 0.93 0.00 1.01 0.00 0.00 42.92 42.13 1jdi s ASP 47 CO -0.03 -1.36 2.07 1.88 0.21 0.00 0.00 175.17 177.94 1jdi h TYR 48 N 1.37 0.43 0.00 4.23 0.05 -1.97 -1.93 116.97 119.15 1jdi h TYR 48 Ca -0.50 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1jdi h TYR 48 Cb 1.28 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.88 1jdi h TYR 48 CO 0.49 0.27 0.00 -1.13 -1.05 0.00 0.00 178.16 176.73 1jdi n SER 49 N -4.48 0.00 0.00 3.88 3.41 -1.26 -3.27 113.62 111.90 1jdi n SER 49 Ca 0.03 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1jdi n SER 49 Cb 0.08 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.18 0.00 -1.64 -1.33 2.08 -0.86 -5.06 119.36 111.37 1jdi n ILE 50 Ca 0.14 -0.05 -0.48 0.00 0.56 0.00 0.00 62.75 62.92 1jdi n ILE 50 Cb 0.14 0.52 -0.04 0.00 -0.75 0.00 0.00 39.64 39.51 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 -1.35 1.73 -4.31 0.38 1.56 -0.78 -5.02 117.12 109.33 1jdi n MET 51 Ca 0.00 0.62 -0.17 0.00 -0.27 0.00 0.00 57.70 57.88 1jdi n MET 51 Cb 0.00 -2.29 -0.10 0.00 2.15 0.00 0.00 33.22 32.98 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 0.40 1.38 0.56 1.12 -4.23 -1.26 -5.04 115.64 108.56 1jdi s THR 52 Ca 0.77 -2.11 0.26 0.00 -1.18 0.00 0.00 61.69 59.43 1jdi s THR 52 Cb -0.76 -2.06 0.38 0.00 1.34 0.00 0.00 72.50 71.39 1jdi s THR 52 CO 0.45 -0.58 2.01 0.00 -0.54 0.00 0.00 174.62 175.96 1jdi h ALA 53 N 2.60 2.26 0.00 3.99 0.00 -1.95 0.30 119.26 126.46 1jdi h ALA 53 Ca -0.38 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1jdi h ALA 53 Cb 1.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1jdi h ALA 53 CO 0.64 -0.56 -0.34 -0.44 0.00 0.00 0.00 179.25 178.55 1jdi h ASP 54 N 0.00 0.00 1.02 0.00 3.45 -1.96 -2.89 116.42 116.04 1jdi h ASP 54 Ca 0.20 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 1jdi h ASP 54 Cb 0.89 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.65 1jdi h ASP 54 CO -0.00 0.34 -0.00 0.44 -1.57 0.00 0.00 179.24 178.44 1jdi h ASP 55 N 0.00 0.00 -4.09 6.45 3.45 -1.34 -3.43 116.42 117.46 1jdi h ASP 55 Ca -0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 1jdi h ASP 55 Cb 0.75 0.00 0.14 0.00 -0.56 0.00 0.00 39.33 39.66 1jdi h ASP 55 CO 0.04 0.00 0.51 -0.04 -1.57 0.00 0.00 179.24 178.19 1jdi s MET 56 N -3.67 2.79 -0.06 3.56 -1.94 -1.09 -4.25 119.30 114.65 1jdi s MET 56 Ca 0.01 2.01 0.04 0.00 -1.71 0.00 0.00 55.69 56.04 1jdi s MET 56 Cb 0.09 -1.94 -0.02 0.00 2.01 0.00 0.00 34.83 34.97 1jdi s MET 56 CO 0.55 -1.39 -0.17 0.08 -0.01 0.00 0.00 175.02 174.07 1jdi s VAL 57 N -1.45 2.82 -0.23 -6.03 1.01 -0.74 -4.72 120.40 111.07 1jdi s VAL 57 Ca 0.79 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 1jdi s VAL 57 Cb -0.36 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1jdi s VAL 57 CO 0.38 0.58 0.15 -0.69 0.00 0.00 0.00 175.10 175.53 1jdi s VAL 58 N -0.53 5.35 0.01 2.92 1.01 -0.10 -1.18 120.40 127.88 1jdi s VAL 58 Ca 0.07 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1jdi s VAL 58 Cb -0.11 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1jdi s VAL 58 CO 0.01 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.61 1jdi s VAL 59 N 0.94 1.42 0.05 2.92 1.01 0.07 0.00 120.40 126.81 1jdi s VAL 59 Ca 0.07 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1jdi s VAL 59 Cb -0.13 -1.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 1jdi s VAL 59 CO 0.03 0.28 1.23 -0.55 0.00 0.00 0.00 175.10 176.09 1jdi s SER 60 N -0.75 7.04 0.19 3.32 0.15 0.32 -1.01 113.70 122.97 1jdi s SER 60 Ca 0.06 2.02 -0.09 0.00 0.70 0.00 0.00 55.95 58.65 1jdi s SER 60 Cb -0.07 -2.58 0.09 0.00 -1.71 0.00 0.00 66.02 61.75 1jdi s SER 60 CO 0.00 -0.52 1.67 0.40 1.20 0.00 0.00 173.24 176.00 1jdi h ILE 61 N 4.58 1.27 -0.11 6.45 2.04 -1.83 0.38 117.51 130.28 1jdi h ILE 61 Ca -0.40 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.24 1jdi h ILE 61 Cb 1.20 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1jdi h ILE 61 CO 0.83 0.41 -0.40 -0.08 0.00 0.00 0.00 178.15 178.91 1jdi h GLU 62 N 1.02 0.47 0.00 2.37 4.81 -1.92 -3.38 114.58 117.96 1jdi h GLU 62 Ca 0.19 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1jdi h GLU 62 Cb 0.50 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1jdi h GLU 62 CO 0.02 0.98 -0.95 0.25 -0.73 0.00 0.00 179.01 178.58 1jdi n THR 63 N -4.32 0.00 -1.08 0.32 -2.24 -1.23 -4.98 114.28 100.75 1jdi n THR 63 Ca -0.08 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 1jdi n THR 63 Cb 0.54 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.43 0.48 3.84 3.38 0.00 0.13 -4.98 105.19 109.48 1jdi n GLY 64 Ca 0.01 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.57 4.03 -0.15 1.61 2.56 -1.25 -4.73 118.70 119.19 1jdi s GLU 65 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 54.97 55.24 1jdi s GLU 65 Cb 0.00 -2.92 -0.02 0.00 2.00 0.00 0.00 34.13 33.19 1jdi s GLU 65 CO 0.00 0.46 1.32 0.54 -0.56 0.00 0.00 175.26 177.02 1jdi s VAL 66 N -1.47 4.18 0.01 3.70 0.11 -1.26 -0.52 120.40 125.15 1jdi s VAL 66 Ca 0.39 1.42 0.10 0.00 -2.93 0.00 0.00 61.98 60.96 1jdi s VAL 66 Cb -0.15 -3.92 -0.22 0.00 -1.53 0.00 0.00 36.38 30.55 1jdi s VAL 66 CO 0.19 -0.13 0.88 0.58 -3.33 0.00 0.00 175.10 173.30 1jdi h VAL 67 N 5.51 1.16 -1.86 2.04 2.07 -0.76 -3.48 116.25 120.94 1jdi h VAL 67 Ca -0.28 -2.96 -0.01 0.00 0.82 0.00 0.00 66.70 64.27 1jdi h VAL 67 Cb 1.11 2.58 -0.22 0.00 -1.52 0.00 0.00 31.29 33.25 1jdi h VAL 67 CO 0.97 0.67 0.27 -0.70 0.02 0.00 0.00 177.57 178.80 1jdi s GLU 68 N -2.64 0.80 0.00 1.57 2.12 -1.12 -5.00 118.70 114.43 1jdi s GLU 68 Ca -0.03 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1jdi s GLU 68 Cb 0.09 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.86 1jdi s GLU 68 CO 0.82 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 1jdi n GLY 69 N 1.86 4.53 0.13 -1.50 0.00 -1.26 -0.92 105.19 108.03 1jdi n GLY 69 Ca -0.15 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 0.64 -1.84 4.61 0.00 -1.87 -3.48 119.26 117.33 1jdi h ALA 70 Ca 0.00 -0.24 -0.44 0.00 0.00 0.00 0.00 54.91 54.23 1jdi h ALA 70 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jdi h ALA 70 CO 0.00 0.27 -0.33 0.15 0.00 0.00 0.00 179.25 179.34 1jdi s LYS 71 N -3.20 3.14 0.15 0.00 1.02 -1.26 -5.09 119.74 114.50 1jdi s LYS 71 Ca 0.01 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 1jdi s LYS 71 Cb 0.08 -2.81 -0.07 0.00 -0.52 0.00 0.00 37.83 34.51 1jdi s LYS 71 CO 0.77 0.07 0.98 0.15 -0.92 0.00 0.00 175.35 176.40 1jdi s LYS 72 N -4.18 4.71 0.80 1.68 -0.14 -1.26 -4.91 119.74 116.44 1jdi s LYS 72 Ca 0.44 1.50 -0.11 0.00 -1.36 0.00 0.00 55.97 56.45 1jdi s LYS 72 Cb -0.10 -3.34 0.07 0.00 -1.68 0.00 0.00 37.83 32.78 1jdi s LYS 72 CO 0.31 0.25 1.09 -1.25 -0.76 0.00 0.00 175.35 174.99 1jdi s PRO 73 N -0.29 2.08 0.38 -1.68 0.04 -1.26 0.48 135.00 134.75 1jdi s PRO 73 Ca 0.46 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.29 1jdi s PRO 73 Cb -0.25 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 1jdi s PRO 73 CO 0.31 -1.73 0.95 0.45 0.04 0.00 0.00 177.00 177.02 1jdi n SER 74 N -3.57 0.98 0.05 6.66 2.88 -0.60 -3.94 113.62 116.08 1jdi n SER 74 Ca 0.08 1.06 0.05 0.00 -1.33 0.00 0.00 58.87 58.73 1jdi n SER 74 Cb 0.54 -1.30 0.26 0.00 -0.75 0.00 0.00 64.21 62.95 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 0.81 0.20 -0.60 -3.46 3.41 -1.26 -1.23 113.62 111.48 1jdi n SER 75 Ca 0.10 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1jdi n SER 75 Cb 0.37 -0.61 0.40 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.74 1.84 -0.26 4.04 10.43 -1.26 -4.50 116.55 125.10 1jdi n ASP 76 Ca 0.01 -1.68 0.07 0.00 2.57 0.00 0.00 54.79 55.76 1jdi n ASP 76 Cb 0.08 -0.07 0.19 0.00 1.84 0.00 0.00 41.12 43.16 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 2.63 0.41 -0.76 -3.53 2.02 -1.51 -0.89 112.91 111.29 1jdi h THR 77 Ca 0.00 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1jdi h THR 77 Cb 0.57 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1jdi h THR 77 CO 0.00 0.03 0.50 -0.65 0.37 0.00 0.00 175.52 175.77 1jdi h PRO 78 N 0.19 0.89 -0.32 6.66 0.11 -1.84 0.56 132.00 138.25 1jdi h PRO 78 Ca 0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 1jdi h PRO 78 Cb 0.80 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1jdi h PRO 78 CO -0.60 0.59 0.10 1.15 -0.21 0.00 0.00 178.00 179.03 1jdi h THR 79 N 0.91 1.20 0.05 -1.15 2.02 -1.21 -0.73 112.91 114.00 1jdi h THR 79 Ca 0.30 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1jdi h THR 79 Cb 0.07 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1jdi h THR 79 CO -0.09 0.22 -0.09 0.45 0.37 0.00 0.00 175.52 176.38 1jdi h HIS 80 N 0.36 -0.22 -0.25 3.16 3.86 -1.02 -1.61 115.15 119.43 1jdi h HIS 80 Ca 0.10 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1jdi h HIS 80 Cb 0.23 0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.74 1jdi h HIS 80 CO 0.00 -0.13 -0.12 -0.09 0.86 0.00 0.00 177.93 178.45 1jdi h ARG 81 N -0.17 -0.09 -0.50 2.45 2.43 -0.76 -0.40 114.38 117.34 1jdi h ARG 81 Ca 0.02 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1jdi h ARG 81 Cb 0.19 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1jdi h ARG 81 CO -0.05 -0.06 0.24 1.25 -1.51 0.00 0.00 179.97 179.84 1jdi h LEU 82 N -0.09 0.34 -0.50 3.80 7.12 -0.95 -1.79 115.31 123.24 1jdi h LEU 82 Ca 0.13 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1jdi h LEU 82 Cb 0.29 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 1jdi h LEU 82 CO -0.31 0.24 0.32 -0.07 -0.13 0.00 0.00 178.44 178.49 1jdi h LEU 83 N 0.48 0.59 -1.26 2.25 3.38 -0.60 0.80 115.31 120.94 1jdi h LEU 83 Ca 0.22 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1jdi h LEU 83 Cb 0.14 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jdi h LEU 83 CO -0.16 0.44 0.50 1.88 0.09 0.00 0.00 178.44 181.19 1jdi h TYR 84 N 0.68 0.94 -0.27 1.13 0.05 -0.57 0.16 116.97 119.09 1jdi h TYR 84 Ca 0.18 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.85 1jdi h TYR 84 Cb -0.05 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.36 1jdi h TYR 84 CO -0.04 0.59 -0.38 1.96 -1.05 0.00 0.00 178.16 179.25 1jdi h GLN 85 N 1.01 0.73 -0.02 4.88 4.20 -0.67 -3.31 115.11 121.93 1jdi h GLN 85 Ca 0.28 -0.43 -0.21 0.00 0.06 0.00 0.00 58.65 58.36 1jdi h GLN 85 Cb -0.10 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1jdi h GLN 85 CO -0.06 1.05 -0.86 0.00 -0.67 0.00 0.00 178.83 178.28 1jdi h ALA 86 N 0.67 0.48 -3.32 3.87 0.00 -0.43 -3.40 119.26 117.13 1jdi h ALA 86 Ca 0.03 -0.68 -0.68 0.00 0.00 0.00 0.00 54.91 53.58 1jdi h ALA 86 Cb 0.97 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.34 1jdi h ALA 86 CO 0.09 0.83 -0.55 -0.06 0.00 0.00 0.00 179.25 179.55 1jdi s PHE 87 N -3.35 3.49 0.39 0.00 0.08 0.51 -4.97 117.98 114.13 1jdi s PHE 87 Ca -0.05 -2.80 0.09 0.00 0.12 0.00 0.00 56.93 54.30 1jdi s PHE 87 Cb 0.10 -3.07 0.87 0.00 -0.57 0.00 0.00 43.02 40.35 1jdi s PHE 87 CO 0.85 -0.88 1.97 -1.35 -0.10 0.00 0.00 175.22 175.70 1jdi h PRO 88 N 7.33 0.58 -0.03 0.24 0.11 -1.79 -2.98 132.00 135.46 1jdi h PRO 88 Ca -0.07 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 1jdi h PRO 88 Cb 0.98 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1jdi h PRO 88 CO 0.66 0.39 -0.41 0.66 -0.21 0.00 0.00 178.00 179.09 1jdi h SER 89 N 0.60 0.06 -3.97 -2.05 4.64 -1.93 -3.45 113.55 107.45 1jdi h SER 89 Ca 0.30 -0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 61.09 1jdi h SER 89 Cb 0.39 -0.02 0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1jdi h SER 89 CO -0.10 0.47 0.51 0.27 -0.87 0.00 0.00 176.83 177.11 1jdi s ILE 90 N -4.11 3.06 0.00 0.95 -4.36 -1.13 -4.80 121.20 110.81 1jdi s ILE 90 Ca -0.03 0.86 0.00 0.00 -0.26 0.00 0.00 60.65 61.22 1jdi s ILE 90 Cb 0.14 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 40.39 1jdi s ILE 90 CO 0.74 0.05 0.04 0.61 0.24 0.00 0.00 174.94 176.62 1jdi n GLY 91 N 0.56 0.81 3.28 6.27 0.00 0.57 -4.92 105.19 111.76 1jdi n GLY 91 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.73 -0.24 -0.02 -0.02 0.00 -0.71 -1.11 107.32 104.48 1jdi s GLY 92 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.42 1jdi s GLY 92 CO 0.00 0.48 -0.08 -0.42 0.00 0.00 0.00 173.10 173.07 1jdi s ILE 93 N -0.78 0.72 -0.06 0.90 1.01 0.03 -1.51 121.20 121.51 1jdi s ILE 93 Ca -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1jdi s ILE 93 Cb -0.04 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1jdi s ILE 93 CO 0.03 0.22 -0.14 -0.69 0.00 0.00 0.00 174.94 174.37 1jdi s VAL 94 N 0.11 1.24 -0.08 2.92 1.01 0.11 -1.34 120.40 124.36 1jdi s VAL 94 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1jdi s VAL 94 Cb -0.07 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1jdi s VAL 94 CO 0.00 0.37 -0.17 -2.28 0.00 0.00 0.00 175.10 173.03 1jdi s HIS 95 N 0.46 1.89 0.29 5.22 5.04 0.24 -0.46 115.29 127.97 1jdi s HIS 95 Ca -0.11 -0.76 -0.03 0.00 -1.54 0.00 0.00 55.06 52.62 1jdi s HIS 95 Cb -0.14 -1.33 -0.01 0.00 0.04 0.00 0.00 32.58 31.13 1jdi s HIS 95 CO 0.03 -0.35 0.36 0.95 -2.34 0.00 0.00 174.74 173.39 1jdi s THR 96 N 0.60 0.00 -0.35 0.89 -4.23 -1.19 -0.45 115.64 110.92 1jdi s THR 96 Ca -0.15 -1.73 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 1jdi s THR 96 Cb -0.16 -2.50 0.45 0.00 1.34 0.00 0.00 72.50 71.63 1jdi s THR 96 CO 0.05 0.00 1.14 1.41 -0.54 0.00 0.00 174.62 176.68 1jdi n HIS 97 N -0.47 2.80 -1.67 3.99 8.25 -1.26 -3.49 115.22 123.37 1jdi n HIS 97 Ca 0.02 -2.59 -0.47 0.00 -0.26 0.00 0.00 57.72 54.42 1jdi n HIS 97 Cb 0.63 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.58 3.23 -0.20 0.41 3.41 -1.14 -4.74 113.62 114.02 1jdi n SER 98 Ca 0.37 1.03 -0.05 0.00 -0.26 0.00 0.00 58.87 59.97 1jdi n SER 98 Cb 0.83 -1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 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 4.92 -0.20 0.09 4.33 1.74 -1.26 -1.01 116.66 125.26 1jdi n ARG 99 Ca 0.20 0.73 -0.12 0.00 -0.77 0.00 0.00 57.85 57.88 1jdi n ARG 99 Cb 0.29 -1.07 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.37 -0.42 -1.55 3.86 -1.88 -1.18 115.15 114.36 1jdi h HIS 100 Ca 0.08 -0.24 -0.11 0.00 -1.16 0.00 0.00 60.37 58.94 1jdi h HIS 100 Cb 0.20 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1jdi h HIS 100 CO -0.49 1.12 -0.19 0.00 0.86 0.00 0.00 177.93 179.23 1jdi h ALA 101 N 0.79 0.87 -0.16 2.45 0.00 -1.67 -2.48 119.26 119.06 1jdi h ALA 101 Ca -0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1jdi h ALA 101 Cb 1.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1jdi h ALA 101 CO 0.17 0.63 -0.27 1.15 0.00 0.00 0.00 179.25 180.93 1jdi h THR 102 N 0.72 1.25 -0.58 0.00 2.02 -1.02 -1.70 112.91 113.60 1jdi h THR 102 Ca 0.10 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1jdi h THR 102 Cb 0.71 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1jdi h THR 102 CO 0.05 0.37 0.35 0.40 0.37 0.00 0.00 175.52 177.06 1jdi h ILE 103 N 0.27 1.17 -0.53 3.11 2.04 -0.77 0.17 117.51 122.96 1jdi h ILE 103 Ca 0.04 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 1jdi h ILE 103 Cb 0.62 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1jdi h ILE 103 CO 0.04 0.17 0.05 -0.50 0.00 0.00 0.00 178.15 177.92 1jdi h TRP 104 N 0.78 0.97 -0.54 1.37 4.06 -1.12 -1.62 115.95 119.85 1jdi h TRP 104 Ca 0.21 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1jdi h TRP 104 Cb -0.03 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 27.85 1jdi h TRP 104 CO -0.02 0.87 0.35 0.00 -3.56 0.00 0.00 178.44 176.08 1jdi h ALA 105 N 0.97 0.68 -0.17 1.49 0.00 -0.71 -0.04 119.26 121.49 1jdi h ALA 105 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1jdi h ALA 105 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jdi h ALA 105 CO 0.02 0.13 -0.26 1.96 0.00 0.00 0.00 179.25 181.10 1jdi h GLN 106 N 0.73 0.31 0.00 0.00 4.20 -0.55 0.62 115.11 120.42 1jdi h GLN 106 Ca 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1jdi h GLN 106 Cb -0.07 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1jdi h GLN 106 CO -0.04 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 1jdi n ALA 107 N -2.48 2.27 -3.53 3.87 0.00 -0.62 -4.54 120.51 115.48 1jdi n ALA 107 Ca -0.01 -0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1jdi n ALA 107 Cb 0.38 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 0.99 -0.53 3.32 0.00 0.00 -0.10 -5.00 105.19 103.88 1jdi n GLY 108 Ca 0.11 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.24 1.22 0.25 1.61 -0.21 -0.87 -5.00 119.66 110.43 1jdi s GLN 109 Ca 0.54 -1.24 -0.18 0.00 0.02 0.00 0.00 55.36 54.51 1jdi s GLN 109 Cb -0.25 -1.55 -0.08 0.00 1.00 0.00 0.00 33.01 32.13 1jdi s GLN 109 CO 0.67 0.36 0.72 -1.12 -2.12 0.00 0.00 175.29 173.79 1jdi s SER 110 N -2.00 6.94 -0.48 5.90 0.01 -1.26 -4.56 113.70 118.25 1jdi s SER 110 Ca 0.09 1.34 -0.23 0.00 1.31 0.00 0.00 55.95 58.46 1jdi s SER 110 Cb -0.10 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.77 1jdi s SER 110 CO 0.05 -0.05 0.81 -0.63 0.41 0.00 0.00 173.24 173.83 1jdi s ILE 111 N -1.69 4.60 0.55 1.44 1.01 -0.58 -4.92 121.20 121.61 1jdi s ILE 111 Ca 0.47 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 61.25 1jdi s ILE 111 Cb -0.14 -4.38 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 1jdi s ILE 111 CO 0.20 -0.83 1.07 -2.16 0.00 0.00 0.00 174.94 173.21 1jdi s PRO 112 N 3.41 3.46 -0.42 2.79 0.04 -1.26 -1.20 135.00 141.82 1jdi s PRO 112 Ca 0.29 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 1jdi s PRO 112 Cb -0.13 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1jdi s PRO 112 CO 0.21 -0.71 1.04 0.00 0.04 0.00 0.00 177.00 177.58 1jdi s ALA 113 N -2.16 3.30 0.00 8.56 0.00 -1.26 -4.84 121.76 125.36 1jdi s ALA 113 Ca 0.67 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1jdi s ALA 113 Cb -0.18 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1jdi s ALA 113 CO 0.29 -1.91 0.75 0.25 0.00 0.00 0.00 175.76 175.14 1jdi n THR 114 N 6.37 0.56 -3.66 0.00 -2.24 -1.26 -0.72 114.28 113.34 1jdi n THR 114 Ca 0.10 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 1jdi n THR 114 Cb 0.48 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.56 -0.29 0.54 3.38 0.00 -1.26 -4.75 107.32 104.37 1jdi s GLY 115 Ca 0.00 0.38 0.28 0.00 0.00 0.00 0.00 44.72 45.37 1jdi s GLY 115 CO 0.00 0.11 2.11 -0.91 0.00 0.00 0.00 173.10 174.41 1jdi h THR 116 N 3.04 0.57 -0.20 0.90 1.35 -1.98 -1.60 112.91 114.99 1jdi h THR 116 Ca -0.31 -0.42 0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1jdi h THR 116 Cb 1.20 1.27 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 1jdi h THR 116 CO 0.43 0.09 -0.02 0.74 -0.25 0.00 0.00 175.52 176.51 1jdi h THR 117 N 0.00 0.83 -0.13 6.82 2.02 -2.00 -1.07 112.91 119.38 1jdi h THR 117 Ca -0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1jdi h THR 117 Cb 0.26 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1jdi h THR 117 CO 0.01 0.01 0.02 -0.74 0.37 0.00 0.00 175.52 175.18 1jdi h HIS 118 N 0.03 0.24 -0.38 3.16 6.17 -1.77 -3.07 115.15 119.53 1jdi h HIS 118 Ca 0.09 -0.03 0.11 0.00 0.71 0.00 0.00 60.37 61.25 1jdi h HIS 118 Cb 0.13 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 29.98 1jdi h HIS 118 CO -0.19 0.42 0.29 0.00 0.71 0.00 0.00 177.93 179.16 1jdi h ALA 119 N 0.79 2.28 0.00 5.26 0.00 -0.90 0.88 119.26 127.57 1jdi h ALA 119 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jdi h ALA 119 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jdi h ALA 119 CO 0.00 -0.49 0.00 -0.44 0.00 0.00 0.00 179.25 178.33 1jdi h ASP 120 N 0.00 0.00 0.00 0.00 3.45 -1.10 -2.89 116.42 115.88 1jdi h ASP 120 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 1jdi h ASP 120 Cb 0.77 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 1jdi h ASP 120 CO -0.00 0.00 -0.68 -1.22 -1.57 0.00 0.00 179.24 175.77 1jdi n TYR 121 N -2.61 0.00 -4.14 4.55 4.02 0.00 -4.85 117.16 114.13 1jdi n TYR 121 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.63 1jdi n TYR 121 Cb 0.28 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.57 1.71 -1.34 -0.72 0.08 0.09 -4.53 117.98 111.71 1jdi s PHE 122 Ca 0.00 -0.84 -0.15 0.00 0.12 0.00 0.00 56.93 56.06 1jdi s PHE 122 Cb 0.00 -1.32 0.09 0.00 -0.57 0.00 0.00 43.02 41.22 1jdi s PHE 122 CO 0.00 -0.50 1.89 0.98 -0.10 0.00 0.00 175.22 177.49 1jdi n TYR 123 N 4.59 4.07 0.00 0.36 9.36 -0.48 -4.26 117.16 130.79 1jdi n TYR 123 Ca -0.16 -2.95 0.00 0.00 3.32 0.00 0.00 57.90 58.10 1jdi n TYR 123 Cb 0.50 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 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 4.39 -0.37 3.73 2.98 0.00 -1.26 -4.90 105.19 109.77 1jdi n GLY 124 Ca 0.47 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 2.00 -0.41 2.61 2.01 -1.26 -4.49 115.64 116.09 1jdi s THR 125 Ca 0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1jdi s THR 125 Cb 0.00 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.53 1jdi s THR 125 CO 0.00 0.00 0.93 -0.63 -0.69 0.00 0.00 174.62 174.23 1jdi s ILE 126 N 0.71 4.52 0.46 1.82 1.01 -0.34 -4.94 121.20 124.44 1jdi s ILE 126 Ca 0.70 1.00 -0.23 0.00 0.00 0.00 0.00 60.65 62.12 1jdi s ILE 126 Cb -0.49 -4.39 -0.07 0.00 0.01 0.00 0.00 42.46 37.52 1jdi s ILE 126 CO 0.39 -0.69 1.20 -2.16 0.00 0.00 0.00 174.94 173.67 1jdi s PRO 127 N 3.64 3.70 -0.11 2.79 0.04 -1.26 -1.53 135.00 142.27 1jdi s PRO 127 Ca 0.38 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.29 1jdi s PRO 127 Cb -0.11 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 1jdi s PRO 127 CO 0.23 -0.62 -0.16 0.00 0.04 0.00 0.00 177.00 176.49 1jdi s THR 129 N 0.16 2.54 0.88 0.00 -4.23 0.96 -4.88 115.64 111.08 1jdi s THR 129 Ca -0.09 0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 60.47 1jdi s THR 129 Cb -0.15 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 71.09 1jdi s THR 129 CO 0.05 -0.23 1.19 0.00 -0.54 0.00 0.00 174.62 175.09 1jdi s ARG 130 N -5.00 1.37 0.64 3.99 1.70 -1.26 -4.06 118.95 116.34 1jdi s ARG 130 Ca 0.63 0.08 -0.16 0.00 -0.47 0.00 0.00 55.73 55.81 1jdi s ARG 130 Cb -0.17 -1.88 -0.01 0.00 -0.57 0.00 0.00 34.95 32.31 1jdi s ARG 130 CO 0.56 -2.00 1.13 0.15 -1.08 0.00 0.00 175.30 174.06 1jdi s LYS 131 N -5.53 2.82 0.36 3.89 1.02 -1.26 -4.52 119.74 116.52 1jdi s LYS 131 Ca 0.65 1.50 -0.13 0.00 0.02 0.00 0.00 55.97 58.00 1jdi s LYS 131 Cb -0.11 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 1jdi s LYS 131 CO 0.51 -1.25 0.75 -1.64 -0.92 0.00 0.00 175.35 172.80 1jdi s MET 132 N -3.89 3.91 0.65 1.68 -1.94 -1.26 -5.07 119.30 113.39 1jdi s MET 132 Ca 0.69 0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 55.15 1jdi s MET 132 Cb -0.23 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 1jdi s MET 132 CO 0.39 0.08 1.06 0.95 -0.01 0.00 0.00 175.02 177.48 1jdi s THR 133 N -2.14 4.21 0.31 2.05 -4.23 -1.26 -4.85 115.64 109.72 1jdi s THR 133 Ca 0.53 0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 61.75 1jdi s THR 133 Cb -0.10 -3.71 0.26 0.00 1.34 0.00 0.00 72.50 70.28 1jdi s THR 133 CO 0.23 -0.94 1.97 0.44 -0.54 0.00 0.00 174.62 175.78 1jdi h ASP 134 N -0.46 0.90 -0.56 3.99 3.32 -1.98 0.14 116.42 121.77 1jdi h ASP 134 Ca -0.44 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.59 1jdi h ASP 134 Cb 1.22 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1jdi h ASP 134 CO 0.63 0.66 0.36 0.00 -1.72 0.00 0.00 179.24 179.17 1jdi h ALA 135 N 1.50 0.72 -0.29 3.45 0.00 -1.97 0.13 119.26 122.80 1jdi h ALA 135 Ca 0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1jdi h ALA 135 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1jdi h ALA 135 CO -0.06 0.10 -0.06 0.93 0.00 0.00 0.00 179.25 180.17 1jdi h GLU 136 N 0.71 0.56 -0.56 0.00 5.08 -1.72 -0.94 114.58 117.72 1jdi h GLU 136 Ca 0.21 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1jdi h GLU 136 Cb -0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1jdi h GLU 136 CO -0.07 0.75 0.19 0.82 -1.00 0.00 0.00 179.01 179.69 1jdi h ILE 137 N 0.33 1.23 -0.00 3.13 2.04 -0.74 -2.97 117.51 120.53 1jdi h ILE 137 Ca 0.08 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1jdi h ILE 137 Cb 0.54 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1jdi h ILE 137 CO 0.03 0.29 -0.10 0.59 0.00 0.00 0.00 178.15 178.96 1jdi n ASN 138 N -4.45 0.34 0.00 1.72 3.02 0.45 -4.33 115.26 112.00 1jdi n ASN 138 Ca 0.03 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1jdi n ASN 138 Cb 0.19 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.73 3.37 7.41 0.00 -0.36 -4.87 105.19 112.76 1jdi n GLY 139 Ca 0.14 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.33 -0.21 1.61 -0.58 -1.26 -4.89 120.64 118.65 1jdi n GLU 140 Ca 0.00 -3.59 -0.06 0.00 -0.42 0.00 0.00 57.16 53.09 1jdi n GLU 140 Cb 0.00 -3.15 -0.05 0.00 -0.57 0.00 0.00 31.44 27.67 1jdi n GLU 140 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1jdi h TYR 141 N 6.97 -0.99 -0.73 -0.32 3.20 -1.76 0.57 116.97 123.92 1jdi h TYR 141 Ca 0.38 0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.37 1jdi h TYR 141 Cb 0.82 0.50 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 1jdi h TYR 141 CO 1.22 -0.20 0.42 0.93 -1.64 0.00 0.00 178.16 178.90 1jdi h GLU 142 N -0.01 0.75 -0.56 1.82 3.07 -1.90 0.33 114.58 118.08 1jdi h GLU 142 Ca 0.08 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1jdi h GLU 142 Cb 0.22 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1jdi h GLU 142 CO -0.48 0.50 -0.03 2.35 -1.40 0.00 0.00 179.01 179.95 1jdi h TRP 143 N 0.78 1.10 -0.40 4.33 2.91 -1.66 -2.57 115.95 120.43 1jdi h TRP 143 Ca 0.32 -0.20 -0.07 0.00 1.13 0.00 0.00 58.89 60.07 1jdi h TRP 143 Cb 0.18 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 1jdi h TRP 143 CO -0.06 1.00 -0.06 1.49 -1.03 0.00 0.00 178.44 179.77 1jdi h GLU 144 N 0.88 0.68 -0.97 2.65 4.57 0.11 -1.68 114.58 120.83 1jdi h GLU 144 Ca 0.15 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1jdi h GLU 144 Cb 0.58 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1jdi h GLU 144 CO 0.03 0.74 0.64 1.15 -1.18 0.00 0.00 179.01 180.39 1jdi h THR 145 N 0.63 1.19 -0.60 0.32 2.02 -0.07 -0.44 112.91 115.96 1jdi h THR 145 Ca 0.12 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1jdi h THR 145 Cb 0.48 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1jdi h THR 145 CO 0.03 0.23 0.18 1.23 0.37 0.00 0.00 175.52 177.56 1jdi h GLY 146 N 1.25 1.00 0.99 2.16 0.00 -0.95 -2.50 103.07 105.03 1jdi h GLY 146 Ca 0.38 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1jdi h GLY 146 CO -0.11 0.56 0.33 3.43 0.00 0.00 0.00 176.54 180.75 1jdi h ASN 147 N 0.85 0.68 -0.45 0.19 2.35 -0.50 -1.57 115.58 117.13 1jdi h ASN 147 Ca 0.19 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1jdi h ASN 147 Cb 0.29 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1jdi h ASN 147 CO -0.01 0.55 0.24 0.58 -1.65 0.00 0.00 177.43 177.14 1jdi h VAL 148 N 0.76 1.16 0.15 2.81 2.07 -0.95 0.25 116.25 122.49 1jdi h VAL 148 Ca 0.20 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1jdi h VAL 148 Cb -0.00 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jdi h VAL 148 CO -0.04 0.18 -0.07 0.40 0.02 0.00 0.00 177.57 178.06 1jdi h ILE 149 N 0.67 0.96 -0.55 4.57 2.04 -0.99 -0.90 117.51 123.32 1jdi h ILE 149 Ca 0.17 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1jdi h ILE 149 Cb 0.06 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1jdi h ILE 149 CO -0.02 0.12 0.32 0.58 0.00 0.00 0.00 178.15 179.15 1jdi h VAL 150 N -0.45 1.04 -0.92 1.67 2.07 -0.77 -1.40 116.25 117.48 1jdi h VAL 150 Ca -0.02 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1jdi h VAL 150 Cb 0.36 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1jdi h VAL 150 CO 0.03 0.12 0.59 -0.08 0.02 0.00 0.00 177.57 178.25 1jdi h GLU 151 N 0.63 1.09 -0.42 1.57 4.81 -0.43 -0.80 114.58 121.03 1jdi h GLU 151 Ca 0.22 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1jdi h GLU 151 Cb 0.05 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1jdi h GLU 151 CO -0.11 0.72 0.22 1.15 -0.73 0.00 0.00 179.01 180.26 1jdi h THR 152 N 1.12 0.98 -0.46 0.32 2.02 -0.09 -0.16 112.91 116.65 1jdi h THR 152 Ca 0.38 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 67.28 1jdi h THR 152 Cb 0.08 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1jdi h THR 152 CO -0.14 0.08 -0.23 -0.26 0.37 0.00 0.00 175.52 175.33 1jdi h PHE 153 N 0.44 1.08 0.59 3.16 -1.00 -0.82 -2.77 116.94 117.61 1jdi h PHE 153 Ca 0.18 -0.26 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 1jdi h PHE 153 Cb 0.07 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 39.39 1jdi h PHE 153 CO -0.10 1.07 -0.28 0.93 -1.61 0.00 0.00 178.31 178.32 1jdi h GLU 154 N 0.81 -0.76 -0.03 1.51 5.08 -0.81 0.20 114.58 120.58 1jdi h GLU 154 Ca 0.10 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1jdi h GLU 154 Cb 0.80 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1jdi h GLU 154 CO 0.07 -0.45 0.04 0.87 -1.00 0.00 0.00 179.01 178.53 1jdi h LYS 155 N -1.09 0.00 -0.44 2.33 1.57 -1.13 -1.40 116.57 116.40 1jdi h LYS 155 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jdi h LYS 155 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1jdi h LYS 155 CO 0.13 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.05 1jdi n GLN 156 N -3.79 2.48 -3.79 3.15 6.02 -1.05 -4.98 117.38 115.42 1jdi n GLN 156 Ca -0.02 -2.27 -0.27 0.00 -0.01 0.00 0.00 57.00 54.43 1jdi n GLN 156 Cb 0.12 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 29.95 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 1.33 -0.46 3.52 1.08 0.00 -0.53 -4.99 105.19 105.15 1jdi n GLY 157 Ca 0.19 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.38 3.81 -0.30 -0.61 2.07 -0.04 -5.04 121.20 117.70 1jdi s ILE 158 Ca 0.49 -0.40 -0.28 0.00 -1.41 0.00 0.00 60.65 59.04 1jdi s ILE 158 Cb -0.24 -2.63 0.01 0.00 0.13 0.00 0.00 42.46 39.73 1jdi s ILE 158 CO 0.80 0.53 1.02 -0.62 -1.91 0.00 0.00 174.94 174.75 1jdi s ASP 159 N 0.02 6.91 0.61 4.50 3.68 -1.26 -4.64 116.67 126.48 1jdi s ASP 159 Ca -0.00 1.04 0.30 0.00 2.13 0.00 0.00 52.55 56.02 1jdi s ASP 159 Cb -0.13 -2.52 1.68 0.00 -1.45 0.00 0.00 42.92 40.50 1jdi s ASP 159 CO 0.03 -0.79 2.05 0.00 0.13 0.00 0.00 175.17 176.59 1jdi h ALA 160 N 7.98 1.74 0.00 3.66 0.00 -1.96 0.29 119.26 130.97 1jdi h ALA 160 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jdi h ALA 160 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jdi h ALA 160 CO 1.00 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1jdi h ALA 161 N 1.66 1.00 -0.00 0.00 0.00 -1.99 -3.21 119.26 116.71 1jdi h ALA 161 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jdi h ALA 161 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jdi h ALA 161 CO -0.00 0.00 -0.42 1.04 0.00 0.00 0.00 179.25 179.87 1jdi n GLN 162 N -2.75 2.45 -3.52 0.00 6.02 0.93 -4.74 117.38 115.76 1jdi n GLN 162 Ca 0.04 -0.35 -0.27 0.00 -0.01 0.00 0.00 57.00 56.41 1jdi n GLN 162 Cb 0.42 -1.12 -0.10 0.00 1.02 0.00 0.00 30.24 30.46 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 -0.75 0.68 -0.17 -1.09 1.56 -0.72 -1.38 117.12 115.25 1jdi n MET 163 Ca 0.04 -3.55 0.00 0.00 -0.27 0.00 0.00 57.70 53.91 1jdi n MET 163 Cb 0.23 -1.83 0.00 0.00 2.15 0.00 0.00 33.22 33.77 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 2.53 0.63 -3.46 2.12 -0.04 -1.25 -4.71 135.00 130.82 1jdi n PRO 164 Ca 0.27 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1jdi n PRO 164 Cb 0.45 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.54 -0.56 -0.04 0.55 0.00 -1.26 -1.76 107.32 105.79 1jdi s GLY 165 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 1jdi s GLY 165 CO 0.00 0.32 0.70 0.54 0.00 0.00 0.00 173.10 174.66 1jdi s VAL 166 N -3.22 0.00 -0.16 1.40 0.11 0.04 -4.56 120.40 114.00 1jdi s VAL 166 Ca 0.01 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 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 -0.09 0.00 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.82 1jdi s LEU 167 N -1.36 2.80 -0.35 2.54 1.43 0.82 -1.05 118.68 123.51 1jdi s LEU 167 Ca -0.09 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 1jdi s LEU 167 Cb -0.00 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1jdi s LEU 167 CO 0.07 0.10 0.49 -0.69 0.23 0.00 0.00 176.35 176.55 1jdi s VAL 168 N 0.74 5.04 -0.03 -1.59 1.01 -0.38 -0.03 120.40 125.15 1jdi s VAL 168 Ca -0.04 0.31 -0.37 0.00 0.00 0.00 0.00 61.98 61.88 1jdi s VAL 168 Cb -0.15 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 32.11 1jdi s VAL 168 CO 0.02 -0.19 1.00 1.57 0.00 0.00 0.00 175.10 177.50 1jdi n HIS 169 N 5.69 0.65 -0.98 5.22 -0.00 -1.26 -0.34 115.22 124.20 1jdi n HIS 169 Ca -0.05 0.97 0.00 0.00 0.46 0.00 0.00 57.72 59.09 1jdi n HIS 169 Cb 0.49 -1.90 0.00 0.00 -0.12 0.00 0.00 29.99 28.46 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 1.52 -5.67 0.00 0.26 7.64 0.02 -4.76 113.62 112.63 1jdi n SER 170 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1jdi n SER 170 Cb 0.06 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.87 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 -0.98 1.43 -0.00 0.54 -4.82 115.22 109.37 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 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 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 3.98 -1.58 3.84 1.57 0.00 -1.01 -4.84 105.19 107.15 1jdi n GLY 172 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.61 4.05 -0.04 1.61 0.04 -1.23 -1.25 135.00 136.57 1jdi s PRO 173 Ca 0.00 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.04 1jdi s PRO 173 Cb 0.00 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1jdi s PRO 173 CO 0.00 -0.16 -0.04 -0.06 0.04 0.00 0.00 177.00 176.78 1jdi s PHE 174 N -2.43 0.66 0.23 0.56 0.08 -0.22 -3.17 117.98 113.69 1jdi s PHE 174 Ca 0.60 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.52 1jdi s PHE 174 Cb -0.10 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 1jdi s PHE 174 CO 0.24 -0.17 0.00 0.00 -0.10 0.00 0.00 175.22 175.19 1jdi s ALA 175 N 0.87 1.80 0.28 5.36 0.00 0.40 -0.78 121.76 129.68 1jdi s ALA 175 Ca -0.11 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 49.94 1jdi s ALA 175 Cb -0.14 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1jdi s ALA 175 CO -0.00 -0.26 0.58 1.67 0.00 0.00 0.00 175.76 177.75 1jdi s TRP 176 N -3.44 0.25 0.00 0.00 -2.14 -0.73 0.05 118.94 112.93 1jdi s TRP 176 Ca 0.29 -0.66 -0.00 0.00 2.66 0.00 0.00 56.10 58.39 1jdi s TRP 176 Cb 0.06 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.81 1jdi s TRP 176 CO 0.09 -1.14 0.01 0.41 -2.66 0.00 0.00 176.95 173.65 1jdi n GLY 177 N -0.44 1.45 0.23 3.67 0.00 -0.57 -4.50 105.19 105.04 1jdi n GLY 177 Ca -0.03 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 45.12 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 0.18 116.57 118.06 1jdi h LYS 178 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1jdi h LYS 178 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jdi h LYS 178 CO 0.00 0.16 0.13 0.27 -0.57 0.00 0.00 179.45 179.44 1jdi n ASN 179 N -4.22 -1.47 0.06 0.86 0.23 -1.26 -3.57 115.26 105.89 1jdi n ASN 179 Ca -0.02 -2.16 -0.11 0.00 -0.53 0.00 0.00 54.58 51.76 1jdi n ASN 179 Cb 0.23 2.49 -0.04 0.00 -2.08 0.00 0.00 39.78 40.37 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 -0.25 -0.15 -2.53 0.00 -1.83 -0.47 119.26 116.00 1jdi h ALA 180 Ca -0.23 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1jdi h ALA 180 Cb 0.86 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1jdi h ALA 180 CO 0.29 -0.69 0.03 1.49 0.00 0.00 0.00 179.25 180.37 1jdi h GLU 181 N -0.32 0.09 -0.87 0.00 4.81 -1.97 -1.51 114.58 114.83 1jdi h GLU 181 Ca 0.06 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1jdi h GLU 181 Cb 0.39 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1jdi h GLU 181 CO -0.18 0.06 0.57 0.22 -0.73 0.00 0.00 179.01 178.95 1jdi h ASP 182 N 0.10 0.91 -0.24 1.04 3.58 -1.89 -1.30 116.42 118.61 1jdi h ASP 182 Ca 0.07 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 1jdi h ASP 182 Cb 0.06 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 1jdi h ASP 182 CO -0.09 0.61 -0.20 0.00 -2.88 0.00 0.00 179.24 176.68 1jdi h ALA 183 N 1.51 0.97 -0.55 -0.78 0.00 -0.57 -1.93 119.26 117.91 1jdi h ALA 183 Ca 0.36 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jdi h ALA 183 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jdi h ALA 183 CO -0.12 0.60 0.18 0.28 0.00 0.00 0.00 179.25 180.20 1jdi h VAL 184 N 0.62 1.23 -0.52 0.00 2.07 -0.25 -0.89 116.25 118.51 1jdi h VAL 184 Ca 0.09 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1jdi h VAL 184 Cb 0.68 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1jdi h VAL 184 CO 0.05 0.29 0.34 0.45 0.02 0.00 0.00 177.57 178.72 1jdi h HIS 185 N 0.75 0.65 -0.37 1.57 -0.00 -1.02 -0.83 115.15 115.90 1jdi h HIS 185 Ca 0.18 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.50 1jdi h HIS 185 Cb 0.26 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1jdi h HIS 185 CO 0.01 0.41 -0.02 -0.91 -0.00 0.00 0.00 177.93 177.42 1jdi h ASN 186 N 0.70 0.57 -0.44 2.45 2.35 -1.11 -1.55 115.58 118.56 1jdi h ASN 186 Ca 0.19 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1jdi h ASN 186 Cb -0.07 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1jdi h ASN 186 CO -0.05 0.66 -0.07 0.00 -1.65 0.00 0.00 177.43 176.32 1jdi h ALA 187 N 1.41 0.94 -0.10 -0.83 0.00 -0.33 0.67 119.26 121.02 1jdi h ALA 187 Ca 0.12 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1jdi h ALA 187 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jdi h ALA 187 CO 0.02 0.63 -0.76 -0.84 0.00 0.00 0.00 179.25 178.29 1jdi h ILE 188 N 0.80 1.34 -0.50 0.00 -0.00 -0.84 -2.32 117.51 116.00 1jdi h ILE 188 Ca 0.14 -2.10 -0.11 0.00 -0.00 0.00 0.00 64.86 62.79 1jdi h ILE 188 Cb 0.58 2.08 -0.02 0.00 -0.00 0.00 0.00 36.82 39.47 1jdi h ILE 188 CO 0.04 0.64 -0.14 0.58 -0.00 0.00 0.00 178.15 179.27 1jdi h VAL 189 N 0.37 1.27 -0.32 0.16 2.07 -1.11 -0.97 116.25 117.72 1jdi h VAL 189 Ca -0.04 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.25 1jdi h VAL 189 Cb 1.36 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1jdi h VAL 189 CO 0.14 0.45 0.00 0.25 0.02 0.00 0.00 177.57 178.43 1jdi h LEU 190 N 0.85 -0.12 -1.06 2.57 5.85 -0.77 0.16 115.31 122.78 1jdi h LEU 190 Ca 0.13 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1jdi h LEU 190 Cb 0.69 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1jdi h LEU 190 CO 0.05 -0.02 0.55 -0.08 -0.34 0.00 0.00 178.44 178.60 1jdi h GLU 191 N 0.10 1.19 0.06 1.25 4.57 -1.17 -1.05 114.58 119.53 1jdi h GLU 191 Ca 0.15 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1jdi h GLU 191 Cb 0.20 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1jdi h GLU 191 CO -0.25 0.82 -0.03 1.49 -1.18 0.00 0.00 179.01 179.86 1jdi h GLU 192 N 1.21 -0.08 0.00 1.92 4.57 0.31 -1.01 114.58 121.50 1jdi h GLU 192 Ca 0.32 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.47 1jdi h GLU 192 Cb -0.08 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1jdi h GLU 192 CO -0.06 0.07 -0.17 -0.39 -1.18 0.00 0.00 179.01 177.27 1jdi h VAL 193 N -0.22 0.44 -0.26 0.32 -1.51 -0.60 -1.82 116.25 112.61 1jdi h VAL 193 Ca -0.01 -0.96 -0.07 0.00 -1.23 0.00 0.00 66.70 64.43 1jdi h VAL 193 Cb 0.19 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1jdi h VAL 193 CO 0.01 0.17 -0.12 0.00 -1.23 0.00 0.00 177.57 176.40 1jdi h ALA 194 N 1.83 0.36 0.33 5.19 0.00 -0.87 0.12 119.26 126.22 1jdi h ALA 194 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1jdi h ALA 194 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jdi h ALA 194 CO 0.02 0.22 -0.16 -0.92 0.00 0.00 0.00 179.25 178.41 1jdi h TYR 195 N 0.26 -0.42 -0.00 0.00 5.03 -0.73 -2.47 116.97 118.65 1jdi h TYR 195 Ca 0.06 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 1jdi h TYR 195 Cb 0.62 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.03 1jdi h TYR 195 CO 0.06 -0.22 -0.28 0.52 -1.32 0.00 0.00 178.16 176.92 1jdi h MET 196 N -0.51 0.01 -0.56 1.82 0.00 -1.36 -2.45 114.93 111.88 1jdi h MET 196 Ca -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.63 1jdi h MET 196 Cb 0.39 -0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.96 1jdi h MET 196 CO 0.08 0.29 0.26 0.78 0.00 0.00 0.00 176.91 178.32 1jdi h GLY 197 N 0.86 0.84 0.83 8.32 0.00 -0.44 -0.58 103.07 112.90 1jdi h GLY 197 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1jdi h GLY 197 CO 0.04 0.37 -0.04 -2.22 0.00 0.00 0.00 176.54 174.69 1jdi h ILE 198 N 0.78 1.03 0.00 2.60 2.04 -0.98 -2.84 117.51 120.14 1jdi h ILE 198 Ca 0.19 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1jdi h ILE 198 Cb 0.09 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1jdi h ILE 198 CO -0.03 0.10 -0.34 -0.26 0.00 0.00 0.00 178.15 177.62 1jdi h PHE 199 N -0.29 0.00 0.00 1.37 0.04 -1.53 -2.69 116.94 113.85 1jdi h PHE 199 Ca -0.01 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1jdi h PHE 199 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1jdi h PHE 199 CO -0.02 0.18 -0.36 0.00 -0.60 0.00 0.00 178.31 177.51 1jdi h ARG 201 N 0.00 0.72 -0.86 0.00 2.43 -1.42 -0.41 114.38 114.84 1jdi h ARG 201 Ca -0.00 -0.46 0.04 0.00 -0.81 0.00 0.00 59.98 58.74 1jdi h ARG 201 Cb 1.14 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 1jdi h ARG 201 CO 0.05 1.09 0.55 0.37 -1.51 0.00 0.00 179.97 180.51 1jdi h GLN 202 N 0.44 1.03 -0.18 0.20 4.15 -1.24 0.20 115.11 119.72 1jdi h GLN 202 Ca 0.01 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 1jdi h GLN 202 Cb 1.06 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 1jdi h GLN 202 CO 0.10 0.68 -0.57 -0.07 -1.93 0.00 0.00 178.83 177.05 1jdi h LEU 203 N 1.07 0.64 -6.44 -2.39 3.38 -1.23 -3.39 115.31 106.95 1jdi h LEU 203 Ca 0.35 -0.35 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 1jdi h LEU 203 Cb 0.02 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 40.20 1jdi h LEU 203 CO -0.12 1.07 -0.93 0.00 0.09 0.00 0.00 178.44 178.55 1jdi n ALA 204 N -2.52 2.93 0.26 1.53 0.00 -0.17 -4.98 120.51 117.55 1jdi n ALA 204 Ca -0.03 -3.33 0.18 0.00 0.00 0.00 0.00 53.44 50.26 1jdi n ALA 204 Cb 0.62 -0.79 0.92 0.00 0.00 0.00 0.00 19.45 20.20 1jdi n ALA 204 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jdi h PRO 205 N 5.50 0.00 -0.43 0.00 0.13 -0.82 -0.65 132.00 135.72 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 0.43 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.24 1jdi n GLN 206 N -3.48 3.41 -1.69 0.86 3.00 -1.26 -5.00 117.38 113.21 1jdi n GLN 206 Ca -0.00 -2.73 -0.43 0.00 -0.01 0.00 0.00 57.00 53.83 1jdi n GLN 206 Cb 0.27 -1.79 -0.03 0.00 0.00 0.00 0.00 30.24 28.68 1jdi n GLN 206 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1jdi n LEU 207 N 0.34 4.01 -4.86 1.08 0.00 -0.25 -4.98 117.00 112.33 1jdi n LEU 207 Ca 0.21 0.99 -0.31 0.00 0.00 0.00 0.00 56.01 56.91 1jdi n LEU 207 Cb 0.83 -1.54 -0.01 0.00 0.00 0.00 0.00 43.42 42.70 1jdi n LEU 207 CO 0.18 0.16 0.68 -2.16 0.00 0.00 0.00 177.39 176.25 1jdi s PRO 208 N 2.63 3.73 0.79 1.96 0.04 -1.26 -5.02 135.00 137.87 1jdi s PRO 208 Ca 0.82 0.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 1jdi s PRO 208 Cb -0.49 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 31.97 1jdi s PRO 208 CO 0.37 -0.42 1.04 -0.25 0.04 0.00 0.00 177.00 177.79 1jdi n ASP 209 N -2.23 0.54 -4.65 6.66 10.43 -1.26 -4.92 116.55 121.12 1jdi n ASP 209 Ca 0.06 0.60 -0.32 0.00 2.57 0.00 0.00 54.79 57.70 1jdi n ASP 209 Cb 0.54 -1.44 0.16 0.00 1.84 0.00 0.00 41.12 42.22 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 -2.58 -0.35 -1.68 -1.24 0.00 0.10 -4.87 117.12 106.50 1jdi n MET 210 Ca 0.13 -0.03 -0.46 0.00 0.00 0.00 0.00 57.70 57.34 1jdi n MET 210 Cb 0.50 -2.33 -0.04 0.00 0.00 0.00 0.00 33.22 31.35 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 -3.85 2.28 -0.33 3.17 6.02 -1.26 -4.86 117.38 118.56 1jdi n GLN 211 Ca 0.12 0.83 0.12 0.00 -0.01 0.00 0.00 57.00 58.05 1jdi n GLN 211 Cb 0.52 -2.63 0.33 0.00 1.02 0.00 0.00 30.24 29.48 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 6.79 0.75 -0.80 -1.09 5.75 -1.99 -0.32 115.11 124.20 1jdi h GLN 212 Ca -0.45 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 1jdi h GLN 212 Cb 1.25 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.59 1jdi h GLN 212 CO 0.91 0.50 0.39 1.15 -2.65 0.00 0.00 178.83 179.13 1jdi h THR 213 N 0.77 1.25 -0.24 2.39 2.02 -1.99 0.14 112.91 117.25 1jdi h THR 213 Ca 0.53 -0.68 -0.14 0.00 0.77 0.00 0.00 66.41 66.88 1jdi h THR 213 Cb 0.80 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1jdi h THR 213 CO -0.30 0.29 -0.39 0.25 0.37 0.00 0.00 175.52 175.74 1jdi h LEU 214 N 1.13 0.77 -0.32 2.58 5.85 -1.49 0.23 115.31 124.07 1jdi h LEU 214 Ca 0.28 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1jdi h LEU 214 Cb 0.10 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1jdi h LEU 214 CO -0.04 1.14 0.18 0.25 -0.34 0.00 0.00 178.44 179.63 1jdi h LEU 215 N 0.41 0.28 -0.20 2.25 6.46 -0.82 -1.81 115.31 121.89 1jdi h LEU 215 Ca 0.02 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1jdi h LEU 215 Cb 0.99 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1jdi h LEU 215 CO 0.09 0.20 0.08 0.78 -0.62 0.00 0.00 178.44 178.97 1jdi h ASN 216 N 0.36 0.27 -0.39 1.25 2.35 -0.64 -0.80 115.58 117.99 1jdi h ASN 216 Ca 0.13 -0.17 0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1jdi h ASN 216 Cb 0.02 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.24 1jdi h ASN 216 CO -0.07 0.37 -0.09 0.50 -1.65 0.00 0.00 177.43 176.49 1jdi h LYS 217 N 0.16 0.01 -0.01 0.81 3.11 -0.65 -1.01 116.57 118.99 1jdi h LYS 217 Ca 0.07 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.90 1jdi h LYS 217 Cb 0.18 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1jdi h LYS 217 CO -0.01 0.00 -0.02 0.45 -2.81 0.00 0.00 179.45 177.07 1jdi h HIS 218 N 0.01 0.05 -0.12 1.91 3.86 -1.25 -2.41 115.15 117.21 1jdi h HIS 218 Ca 0.19 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1jdi h HIS 218 Cb 0.29 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1jdi h HIS 218 CO -0.34 0.58 -0.07 -0.92 0.86 0.00 0.00 177.93 178.04 1jdi h TYR 219 N -0.50 0.30 0.00 2.45 5.03 -0.92 -3.20 116.97 120.14 1jdi h TYR 219 Ca 0.00 -0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.17 1jdi h TYR 219 Cb 0.58 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 1jdi h TYR 219 CO 0.12 0.62 -0.32 -0.07 -1.32 0.00 0.00 178.16 177.19 1jdi h LEU 220 N -0.11 0.00 0.19 2.82 4.07 -1.32 -3.04 115.31 117.91 1jdi h LEU 220 Ca 0.02 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.00 1jdi h LEU 220 Cb 0.55 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 1jdi h LEU 220 CO 0.02 0.32 -0.35 -0.09 -1.08 0.00 0.00 178.44 177.26 1jdi h ARG 221 N 0.00 -0.60 0.00 1.13 2.43 -1.42 -3.41 114.38 112.51 1jdi h ARG 221 Ca -0.00 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1jdi h ARG 221 Cb 0.57 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1jdi h ARG 221 CO 0.04 -0.40 0.01 1.63 -1.51 0.00 0.00 179.97 179.74 1jdi n LYS 222 N -5.44 0.14 -0.19 0.20 5.02 -1.15 -5.11 118.16 111.63 1jdi n LYS 222 Ca -0.08 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1jdi n LYS 222 Cb 0.35 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 1jdi n LYS 222 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60