#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdz n VAL 4 N 0.00 0.00 -0.09 -1.45 0.24 -1.26 -4.75 118.33 111.02 1jdz n VAL 4 Ca 0.00 -0.42 -0.19 0.00 -2.04 0.00 0.00 64.34 61.69 1jdz n VAL 4 Cb 0.00 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 1jdz n VAL 4 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1jdz n HIS 5 N -0.19 0.00 -3.21 6.34 8.25 -1.26 -4.89 115.22 120.26 1jdz n HIS 5 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 1jdz n HIS 5 Cb 0.19 -0.65 -0.08 0.00 1.12 0.00 0.00 29.99 30.58 1jdz n HIS 5 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jdz s ILE 6 N -2.33 4.96 -2.42 1.59 1.01 -1.26 -4.59 121.20 118.16 1jdz s ILE 6 Ca -0.25 0.01 0.27 0.00 0.00 0.00 0.00 60.65 60.68 1jdz s ILE 6 Cb 0.10 -4.09 0.57 0.00 0.01 0.00 0.00 42.46 39.05 1jdz s ILE 6 CO 0.32 -0.45 1.76 0.18 0.00 0.00 0.00 174.94 176.76 1jdz n LEU 7 N 5.91 1.37 -4.33 2.97 4.77 -1.26 -4.79 117.00 121.64 1jdz n LEU 7 Ca -0.04 -0.47 -0.36 0.00 -0.03 0.00 0.00 56.01 55.10 1jdz n LEU 7 Cb 0.48 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1jdz n LEU 7 CO 0.49 0.24 -0.35 0.00 -1.33 0.00 0.00 177.39 176.44 1jdz n ALA 8 N 0.08 -2.74 -2.21 -1.18 0.00 -1.24 -4.94 120.51 108.27 1jdz n ALA 8 Ca 0.19 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.94 1jdz n ALA 8 Cb 0.33 -1.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 1jdz n ALA 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jdz s LYS 9 N -2.49 3.94 0.19 0.00 1.02 -1.26 -4.99 119.74 116.14 1jdz s LYS 9 Ca 0.58 0.55 -0.31 0.00 0.02 0.00 0.00 55.97 56.81 1jdz s LYS 9 Cb -0.31 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.41 1jdz s LYS 9 CO 0.66 0.18 1.58 0.21 -0.92 0.00 0.00 175.35 177.07 1jdz s LYS 10 N -3.00 4.20 0.00 1.68 2.20 -1.26 -0.68 119.74 122.88 1jdz s LYS 10 Ca 0.52 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 1jdz s LYS 10 Cb -0.10 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1jdz s LYS 10 CO 0.19 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1jdz n GLY 11 N 3.48 0.86 0.11 5.54 0.00 -1.26 -4.90 105.19 109.02 1jdz n GLY 11 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1jdz n GLY 11 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jdz n GLU 12 N -2.15 2.46 -5.17 1.61 2.13 0.15 -4.96 120.64 114.72 1jdz n GLU 12 Ca 0.00 -0.42 -0.32 0.00 0.66 0.00 0.00 57.16 57.08 1jdz n GLU 12 Cb 0.00 -0.92 -0.16 0.00 0.27 0.00 0.00 31.44 30.63 1jdz n GLU 12 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1jdz s VAL 13 N -0.90 2.25 0.77 6.31 1.01 -1.26 -4.76 120.40 123.81 1jdz s VAL 13 Ca 0.04 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1jdz s VAL 13 Cb 0.04 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.62 1jdz s VAL 13 CO 0.12 0.56 1.13 0.00 0.00 0.00 0.00 175.10 176.91 1jdz s ALA 14 N -0.02 2.66 0.21 5.51 0.00 -1.26 -4.69 121.76 124.16 1jdz s ALA 14 Ca -0.07 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.53 1jdz s ALA 14 Cb -0.15 -3.01 0.13 0.00 0.00 0.00 0.00 23.12 20.09 1jdz s ALA 14 CO 0.05 -1.47 1.48 0.93 0.00 0.00 0.00 175.76 176.74 1jdz h GLU 15 N -0.90 0.03 -4.98 0.00 5.08 -1.84 -3.30 114.58 108.67 1jdz h GLU 15 Ca -0.46 -0.03 -0.63 0.00 -1.00 0.00 0.00 59.36 57.24 1jdz h GLU 15 Cb 1.29 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.38 1jdz h GLU 15 CO 0.64 0.79 -0.52 1.03 -1.00 0.00 0.00 179.01 179.95 1jdz s ARG 16 N -3.28 3.99 -0.05 2.33 0.52 -1.26 -1.71 118.95 119.50 1jdz s ARG 16 Ca -0.01 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 1jdz s ARG 16 Cb 0.11 -3.61 0.01 0.00 0.52 0.00 0.00 34.95 31.99 1jdz s ARG 16 CO 0.79 -0.08 -0.11 0.08 0.02 0.00 0.00 175.30 175.99 1jdz s VAL 17 N 1.47 1.03 -0.30 3.52 1.01 0.06 -2.03 120.40 125.16 1jdz s VAL 17 Ca 0.07 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1jdz s VAL 17 Cb -0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1jdz s VAL 17 CO 0.08 0.32 0.27 -0.22 0.00 0.00 0.00 175.10 175.55 1jdz s LEU 18 N 0.40 4.17 -0.15 3.92 2.96 -0.12 -1.44 118.68 128.43 1jdz s LEU 18 Ca -0.08 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1jdz s LEU 18 Cb -0.12 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 1jdz s LEU 18 CO 0.02 -0.15 -0.08 0.68 -1.32 0.00 0.00 176.35 175.50 1jdz s VAL 19 N 1.86 3.50 0.18 1.68 -7.23 -0.35 -0.97 120.40 119.06 1jdz s VAL 19 Ca 0.09 -0.50 0.08 0.00 -1.81 0.00 0.00 61.98 59.84 1jdz s VAL 19 Cb -0.16 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1jdz s VAL 19 CO 0.11 0.50 -0.16 0.68 -0.31 0.00 0.00 175.10 175.93 1jdz s VAL 20 N 0.40 1.69 0.03 1.32 -7.23 -0.22 -0.98 120.40 115.42 1jdz s VAL 20 Ca -0.07 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.05 1jdz s VAL 20 Cb -0.15 -1.89 -0.27 0.00 0.56 0.00 0.00 36.38 34.63 1jdz s VAL 20 CO 0.04 -0.48 0.96 1.23 -0.31 0.00 0.00 175.10 176.54 1jdz h GLY 21 N 2.95 0.26 -6.04 2.32 0.00 -1.80 0.23 103.07 100.97 1jdz h GLY 21 Ca -0.40 -0.66 -0.60 0.00 0.00 0.00 0.00 47.33 45.68 1jdz h GLY 21 CO 0.56 0.58 0.15 -0.35 0.00 0.00 0.00 176.54 177.48 1jdz s ASP 22 N -6.96 6.68 0.29 0.19 -1.08 -1.26 -2.29 116.67 112.24 1jdz s ASP 22 Ca -0.07 0.83 0.02 0.00 -0.52 0.00 0.00 52.55 52.81 1jdz s ASP 22 Cb 0.07 -2.35 0.58 0.00 -1.46 0.00 0.00 42.92 39.76 1jdz s ASP 22 CO 0.86 -0.30 1.85 -0.65 0.52 0.00 0.00 175.17 177.44 1jdz h PRO 23 N 7.56 0.94 -0.36 4.34 0.11 -1.88 -1.35 132.00 141.36 1jdz h PRO 23 Ca -0.30 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 1jdz h PRO 23 Cb 1.14 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1jdz h PRO 23 CO 0.78 0.62 -0.12 0.78 -0.21 0.00 0.00 178.00 179.85 1jdz h GLY 24 N 0.97 0.67 1.08 -0.55 0.00 -1.96 -2.54 103.07 100.74 1jdz h GLY 24 Ca 0.48 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1jdz h GLY 24 CO -0.25 0.45 -0.14 -0.09 0.00 0.00 0.00 176.54 176.51 1jdz h ARG 25 N 0.57 1.00 -0.32 4.80 2.43 -1.67 -0.72 114.38 120.46 1jdz h ARG 25 Ca 0.10 -0.39 0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1jdz h ARG 25 Cb 0.54 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1jdz h ARG 25 CO 0.03 1.07 -0.03 0.00 -1.51 0.00 0.00 179.97 179.53 1jdz h ALA 26 N 0.90 0.26 -0.47 2.80 0.00 -1.16 0.15 119.26 121.75 1jdz h ALA 26 Ca 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jdz h ALA 26 Cb 0.70 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1jdz h ALA 26 CO 0.05 -0.42 0.15 -0.09 0.00 0.00 0.00 179.25 178.94 1jdz h ARG 27 N 0.06 0.72 -0.56 0.00 2.43 -1.28 -0.95 114.38 114.81 1jdz h ARG 27 Ca 0.15 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1jdz h ARG 27 Cb 0.22 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1jdz h ARG 27 CO -0.28 0.69 0.33 1.25 -1.51 0.00 0.00 179.97 180.45 1jdz h LEU 28 N 0.62 0.54 -0.49 3.80 5.85 -0.46 -2.91 115.31 122.26 1jdz h LEU 28 Ca 0.15 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1jdz h LEU 28 Cb 0.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1jdz h LEU 28 CO -0.01 0.38 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.16 1jdz h LEU 29 N 0.66 0.00 -2.38 2.25 3.38 -0.47 -3.16 115.31 115.58 1jdz h LEU 29 Ca 0.23 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1jdz h LEU 29 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jdz h LEU 29 CO -0.10 0.24 0.15 0.77 0.09 0.00 0.00 178.44 179.58 1jdz h SER 30 N 0.00 0.00 0.30 -0.43 4.64 -0.96 0.09 113.55 117.19 1jdz h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jdz h SER 30 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1jdz h SER 30 CO 0.03 0.00 0.00 0.74 -0.87 0.00 0.00 176.83 176.73 1jdz h THR 31 N 0.00 0.00 -0.00 2.95 2.02 -1.66 -1.67 112.91 114.55 1jdz h THR 31 Ca 0.05 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jdz h THR 31 Cb 0.34 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1jdz h THR 31 CO -0.00 0.00 -0.24 0.18 0.37 0.00 0.00 175.52 175.82 1jdz n LEU 32 N -2.75 0.56 -4.93 2.58 4.77 0.02 -4.87 117.00 112.38 1jdz n LEU 32 Ca -0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1jdz n LEU 32 Cb 0.13 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1jdz n LEU 32 CO 0.19 0.11 0.17 -0.76 -1.33 0.00 0.00 177.39 175.77 1jdz s LEU 33 N -2.70 4.05 -0.09 2.23 1.43 -0.63 -4.96 118.68 118.00 1jdz s LEU 33 Ca 0.21 0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 53.62 1jdz s LEU 33 Cb 0.19 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1jdz s LEU 33 CO 0.56 -0.24 0.66 -1.10 0.23 0.00 0.00 176.35 176.46 1jdz s GLN 34 N -3.95 4.40 -1.31 1.70 -0.21 -0.21 -4.35 119.66 115.73 1jdz s GLN 34 Ca 0.41 0.78 -0.08 0.00 0.02 0.00 0.00 55.36 56.49 1jdz s GLN 34 Cb -0.10 -3.46 -0.00 0.00 1.00 0.00 0.00 33.01 30.45 1jdz s GLN 34 CO 0.33 0.05 0.55 -1.71 -2.12 0.00 0.00 175.29 172.39 1jdz n ASN 35 N 3.90 -2.05 -4.76 5.90 4.05 -1.26 -2.37 115.26 118.66 1jdz n ASN 35 Ca -0.02 -1.02 -0.40 0.00 0.45 0.00 0.00 54.58 53.58 1jdz n ASN 35 Cb 0.51 -3.11 0.01 0.00 1.23 0.00 0.00 39.78 38.43 1jdz n ASN 35 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1jdz n PRO 36 N -4.37 2.34 -4.36 1.20 -0.02 -1.26 -4.73 135.00 123.81 1jdz n PRO 36 Ca -0.23 0.83 -0.23 0.00 -2.02 0.00 0.00 63.50 61.85 1jdz n PRO 36 Cb 0.65 -2.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 1jdz n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jdz s LYS 37 N -2.36 1.30 -0.33 -0.52 -0.14 -0.57 -4.96 119.74 112.16 1jdz s LYS 37 Ca 0.59 -0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.65 1jdz s LYS 37 Cb -0.46 -1.16 -0.00 0.00 -1.68 0.00 0.00 37.83 34.53 1jdz s LYS 37 CO 0.59 -0.04 1.42 -1.17 -0.76 0.00 0.00 175.35 175.39 1jdz s LEU 38 N 0.83 3.77 -0.00 3.17 2.96 -1.26 -1.34 118.68 126.80 1jdz s LEU 38 Ca -0.12 1.15 0.21 0.00 -0.22 0.00 0.00 54.13 55.16 1jdz s LEU 38 Cb -0.15 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.81 1jdz s LEU 38 CO 0.02 -1.26 0.90 0.35 -1.32 0.00 0.00 176.35 175.04 1jdz n THR 39 N 6.59 0.00 -3.61 3.68 -2.24 0.97 -4.98 114.28 114.69 1jdz n THR 39 Ca 0.16 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1jdz n THR 39 Cb 0.47 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.51 1jdz n THR 39 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jdz s ASN 40 N -3.12 -0.64 0.00 3.42 3.84 -1.15 -3.72 114.94 113.57 1jdz s ASN 40 Ca 0.07 1.14 0.00 0.00 0.21 0.00 0.00 52.86 54.28 1jdz s ASN 40 Cb 0.16 1.13 0.00 0.00 -0.55 0.00 0.00 41.25 41.99 1jdz s ASN 40 CO 0.86 -0.28 0.00 -1.84 -2.79 0.00 0.00 177.10 173.05 1jdz n GLU 41 N 2.22 1.89 -1.62 0.43 0.28 -1.26 -1.92 120.64 120.66 1jdz n GLU 41 Ca -0.14 0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.39 1jdz n GLU 41 Cb 0.56 -0.15 -0.03 0.00 1.43 0.00 0.00 31.44 33.25 1jdz n GLU 41 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1jdz n ASN 42 N -0.26 1.90 -1.02 -1.84 5.15 -1.26 -0.98 115.26 116.95 1jdz n ASN 42 Ca 0.00 1.15 -0.12 0.00 -0.60 0.00 0.00 54.58 55.00 1jdz n ASN 42 Cb 0.00 -1.31 -0.05 0.00 -0.53 0.00 0.00 39.78 37.89 1jdz n ASN 42 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1jdz n ARG 43 N 1.74 -1.60 -0.10 1.20 1.74 -1.26 -1.80 116.66 116.57 1jdz n ARG 43 Ca 0.13 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 1jdz n ARG 43 Cb 0.28 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 1jdz n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdz n GLY 44 N 0.06 1.55 3.58 -0.13 0.00 -0.15 -4.99 105.19 105.12 1jdz n GLY 44 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1jdz n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdz s PHE 45 N -2.67 2.61 0.14 1.61 0.40 -0.75 -4.83 117.98 114.49 1jdz s PHE 45 Ca 0.00 -1.18 -0.31 0.00 -0.60 0.00 0.00 56.93 54.84 1jdz s PHE 45 Cb 0.00 -4.63 -0.10 0.00 0.51 0.00 0.00 43.02 38.80 1jdz s PHE 45 CO 0.00 -1.74 1.66 -0.51 0.70 0.00 0.00 175.22 175.33 1jdz s LEU 46 N 5.42 4.37 -0.10 -0.37 1.43 -1.26 -4.25 118.68 123.93 1jdz s LEU 46 Ca 0.55 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.29 1jdz s LEU 46 Cb 0.03 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.69 1jdz s LEU 46 CO 0.06 -0.89 -0.08 -0.69 0.23 0.00 0.00 176.35 174.98 1jdz s VAL 47 N 1.85 1.00 0.01 -1.59 1.01 -0.81 -1.29 120.40 120.58 1jdz s VAL 47 Ca 0.74 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1jdz s VAL 47 Cb -0.44 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1jdz s VAL 47 CO 0.32 0.36 -0.20 -0.31 0.00 0.00 0.00 175.10 175.27 1jdz s TYR 48 N 1.53 2.51 -0.06 5.22 1.51 0.16 -0.02 117.35 128.20 1jdz s TYR 48 Ca 0.01 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1jdz s TYR 48 Cb -0.13 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1jdz s TYR 48 CO -0.06 0.16 -0.16 0.99 -1.11 0.00 0.00 175.55 175.36 1jdz s THR 49 N -0.79 1.40 0.00 -0.71 2.01 -0.45 -0.15 115.64 116.95 1jdz s THR 49 Ca 0.12 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1jdz s THR 49 Cb -0.10 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1jdz s THR 49 CO 0.02 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1jdz n GLY 50 N 3.41 2.96 3.54 4.40 0.00 -0.49 -1.52 105.19 117.48 1jdz n GLY 50 Ca -0.20 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 1jdz n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdz s LYS 51 N 0.84 1.89 -0.29 1.61 1.02 -1.00 -0.76 119.74 123.05 1jdz s LYS 51 Ca 0.00 -1.68 -0.15 0.00 0.02 0.00 0.00 55.97 54.16 1jdz s LYS 51 Cb 0.00 -1.89 0.13 0.00 -0.52 0.00 0.00 37.83 35.55 1jdz s LYS 51 CO 0.00 0.32 0.85 -0.47 -0.92 0.00 0.00 175.35 175.13 1jdz s TYR 52 N -2.46 -0.84 -1.56 3.18 5.04 0.34 -1.05 117.35 120.01 1jdz s TYR 52 Ca 0.31 1.59 -0.12 0.00 -2.44 0.00 0.00 57.07 56.40 1jdz s TYR 52 Cb -0.05 0.50 0.09 0.00 0.35 0.00 0.00 41.96 42.86 1jdz s TYR 52 CO 0.17 -0.41 0.80 0.09 -1.34 0.00 0.00 175.55 174.85 1jdz n ASN 53 N 4.35 -3.23 -1.17 4.32 4.13 -1.26 -1.10 115.26 121.30 1jdz n ASN 53 Ca -0.16 -0.90 -0.12 0.00 1.68 0.00 0.00 54.58 55.07 1jdz n ASN 53 Cb 0.56 -3.35 -0.03 0.00 -1.54 0.00 0.00 39.78 35.42 1jdz n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jdz n GLY 54 N -1.62 0.53 2.99 7.41 0.00 -1.26 -5.02 105.19 108.22 1jdz n GLY 54 Ca -0.03 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1jdz n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jdz s GLU 55 N -3.88 0.34 0.10 1.61 2.56 -0.26 -5.13 118.70 114.04 1jdz s GLU 55 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 54.97 54.07 1jdz s GLU 55 Cb 0.00 0.05 -0.06 0.00 2.00 0.00 0.00 34.13 36.12 1jdz s GLU 55 CO 0.00 -0.03 0.87 0.99 -0.56 0.00 0.00 175.26 176.53 1jdz s THR 56 N -1.43 4.54 -0.02 -1.70 2.01 -1.26 -0.50 115.64 117.28 1jdz s THR 56 Ca -0.15 1.87 -0.06 0.00 0.31 0.00 0.00 61.69 63.67 1jdz s THR 56 Cb -0.10 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.19 1jdz s THR 56 CO -0.01 0.37 0.13 -0.69 -0.69 0.00 0.00 174.62 173.73 1jdz s VAL 57 N -0.23 0.05 0.10 3.82 1.01 0.06 -4.54 120.40 120.67 1jdz s VAL 57 Ca 0.42 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1jdz s VAL 57 Cb -0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1jdz s VAL 57 CO 0.27 -0.21 -0.21 -0.44 0.00 0.00 0.00 175.10 174.50 1jdz s SER 58 N -0.73 3.65 -0.18 3.32 0.01 -0.86 -1.39 113.70 117.52 1jdz s SER 58 Ca -0.08 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1jdz s SER 58 Cb -0.05 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.75 1jdz s SER 58 CO 0.01 0.20 -0.18 -0.63 0.41 0.00 0.00 173.24 173.05 1jdz s ILE 59 N -1.04 2.27 0.08 1.44 1.01 0.79 -0.94 121.20 124.80 1jdz s ILE 59 Ca 0.16 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 60.01 1jdz s ILE 59 Cb -0.10 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1jdz s ILE 59 CO 0.07 0.52 -0.21 0.00 0.00 0.00 0.00 174.94 175.33 1jdz s ALA 60 N 1.22 1.77 -0.05 9.38 0.00 -0.14 -0.67 121.76 133.28 1jdz s ALA 60 Ca 0.03 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 1jdz s ALA 60 Cb -0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1jdz s ALA 60 CO -0.09 0.37 0.54 0.99 0.00 0.00 0.00 175.76 177.57 1jdz s THR 61 N -1.02 5.03 -0.48 0.00 2.01 -0.41 -1.06 115.64 119.71 1jdz s THR 61 Ca 0.07 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.22 1jdz s THR 61 Cb -0.09 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1jdz s THR 61 CO 0.03 0.40 0.50 0.00 -0.69 0.00 0.00 174.62 174.86 1jdz n HIS 62 N 3.01 0.00 -4.41 4.92 1.44 0.79 -4.71 115.22 116.25 1jdz n HIS 62 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 1jdz n HIS 62 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1jdz n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jdz n GLY 63 N 0.54 -0.54 3.44 -1.39 0.00 -0.97 -3.37 105.19 102.90 1jdz n GLY 63 Ca 0.02 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1jdz n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdz s ILE 64 N 0.00 3.29 0.00 -0.61 1.01 -1.26 -4.56 121.20 119.06 1jdz s ILE 64 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1jdz s ILE 64 Cb 0.00 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1jdz s ILE 64 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1jdz n GLY 65 N 3.16 1.73 0.30 6.18 0.00 -1.26 -4.46 105.19 110.83 1jdz n GLY 65 Ca -0.18 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1jdz n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdz h GLY 66 N 0.00 -0.27 0.39 -0.02 0.00 -1.92 -2.10 103.07 99.15 1jdz h GLY 66 Ca 0.00 0.34 0.11 0.00 0.00 0.00 0.00 47.33 47.78 1jdz h GLY 66 CO 0.00 -0.21 0.42 -2.55 0.00 0.00 0.00 176.54 174.20 1jdz h PRO 67 N -0.31 0.65 0.31 4.80 0.11 -1.96 -1.41 132.00 134.20 1jdz h PRO 67 Ca 0.12 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1jdz h PRO 67 Cb 0.49 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1jdz h PRO 67 CO -0.37 0.43 -0.15 1.03 -0.21 0.00 0.00 178.00 178.73 1jdz h SER 68 N 0.67 -0.36 -0.18 -2.05 0.87 -1.69 -2.91 113.55 107.90 1jdz h SER 68 Ca 0.41 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1jdz h SER 68 Cb 0.47 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1jdz h SER 68 CO -0.30 0.00 0.06 -0.29 -0.53 0.00 0.00 176.83 175.78 1jdz h ILE 69 N -0.76 1.12 -0.43 2.23 2.10 -1.28 -2.22 117.51 118.28 1jdz h ILE 69 Ca -0.04 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1jdz h ILE 69 Cb 0.50 0.87 -0.02 0.00 -1.09 0.00 0.00 36.82 37.08 1jdz h ILE 69 CO 0.07 0.15 0.27 0.00 -1.08 0.00 0.00 178.15 177.56 1jdz h ALA 70 N 1.72 0.54 0.00 0.18 0.00 -1.26 0.10 119.26 120.55 1jdz h ALA 70 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jdz h ALA 70 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jdz h ALA 70 CO -0.00 0.02 -0.00 0.82 0.00 0.00 0.00 179.25 180.09 1jdz h ILE 71 N 0.57 1.06 -0.44 0.00 2.04 -1.22 -1.71 117.51 117.81 1jdz h ILE 71 Ca 0.15 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jdz h ILE 71 Cb -0.03 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1jdz h ILE 71 CO -0.03 0.05 0.26 0.58 0.00 0.00 0.00 178.15 179.00 1jdz h VAL 72 N -0.08 1.15 -0.58 1.67 2.07 -1.19 -2.23 116.25 117.06 1jdz h VAL 72 Ca -0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1jdz h VAL 72 Cb 0.08 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1jdz h VAL 72 CO 0.00 0.15 0.26 -0.07 0.02 0.00 0.00 177.57 177.94 1jdz h LEU 73 N 0.58 0.77 -0.93 2.57 3.38 -0.73 -1.15 115.31 119.81 1jdz h LEU 73 Ca 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1jdz h LEU 73 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1jdz h LEU 73 CO -0.03 0.70 0.49 -0.33 0.09 0.00 0.00 178.44 179.36 1jdz h GLU 74 N 0.79 1.25 0.04 1.13 4.39 -1.15 -1.26 114.58 119.77 1jdz h GLU 74 Ca 0.20 -0.15 -0.24 0.00 0.34 0.00 0.00 59.36 59.51 1jdz h GLU 74 Cb 0.15 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1jdz h GLU 74 CO -0.02 0.91 -1.04 0.93 -1.16 0.00 0.00 179.01 178.63 1jdz h GLU 75 N 1.25 0.40 -0.55 2.33 5.08 -1.21 -2.24 114.58 119.64 1jdz h GLU 75 Ca 0.31 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1jdz h GLU 75 Cb 0.03 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1jdz h GLU 75 CO -0.05 1.16 0.22 -0.07 -1.00 0.00 0.00 179.01 179.26 1jdz h LEU 76 N 0.20 0.77 -0.93 1.33 3.38 -1.08 -1.95 115.31 117.03 1jdz h LEU 76 Ca -0.10 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1jdz h LEU 76 Cb 1.70 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 1jdz h LEU 76 CO 0.18 0.73 0.62 0.00 0.09 0.00 0.00 178.44 180.06 1jdz h ALA 77 N 1.06 1.18 0.00 1.53 0.00 -1.21 -0.63 119.26 121.21 1jdz h ALA 77 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jdz h ALA 77 Cb 0.21 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jdz h ALA 77 CO -0.01 0.57 -0.12 0.52 0.00 0.00 0.00 179.25 180.21 1jdz h MET 78 N 1.25 0.00 -0.11 0.00 2.86 -0.91 -0.93 114.93 117.09 1jdz h MET 78 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1jdz h MET 78 Cb -0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1jdz h MET 78 CO -0.08 0.12 0.00 1.28 1.06 0.00 0.00 176.91 179.29 1jdz n LEU 79 N -3.73 1.85 0.00 1.22 4.77 -0.31 -4.94 117.00 115.87 1jdz n LEU 79 Ca -0.02 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1jdz n LEU 79 Cb 0.23 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1jdz n LEU 79 CO 0.30 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1jdz n GLY 80 N 1.20 1.32 3.77 -0.72 0.00 -0.36 -4.18 105.19 106.23 1jdz n GLY 80 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1jdz n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdz s ALA 81 N -2.00 3.22 0.00 4.61 0.00 -0.78 -4.26 121.76 122.56 1jdz s ALA 81 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1jdz s ALA 81 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1jdz s ALA 81 CO 0.00 0.08 0.00 0.27 0.00 0.00 0.00 175.76 176.11 1jdz n ASN 82 N 0.64 0.00 -3.92 0.00 0.23 -0.72 -4.06 115.26 107.43 1jdz n ASN 82 Ca 0.02 -0.90 -0.28 0.00 -0.53 0.00 0.00 54.58 52.89 1jdz n ASN 82 Cb 0.49 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.02 1jdz n ASN 82 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jdz s VAL 83 N 0.00 1.16 -0.06 3.53 1.01 -0.69 -1.16 120.40 124.20 1jdz s VAL 83 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1jdz s VAL 83 Cb 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1jdz s VAL 83 CO 0.00 0.25 -0.18 -0.36 0.00 0.00 0.00 175.10 174.80 1jdz s PHE 84 N 1.63 1.87 -0.20 5.22 0.40 -0.01 -0.76 117.98 126.13 1jdz s PHE 84 Ca 0.02 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 1jdz s PHE 84 Cb -0.14 -1.27 0.05 0.00 0.51 0.00 0.00 43.02 42.17 1jdz s PHE 84 CO -0.08 -0.22 -0.09 0.42 0.70 0.00 0.00 175.22 175.95 1jdz s ILE 85 N 0.14 1.54 -0.01 0.64 1.01 -0.52 -2.05 121.20 121.96 1jdz s ILE 85 Ca -0.07 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1jdz s ILE 85 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1jdz s ILE 85 CO 0.03 0.11 1.14 -0.13 0.00 0.00 0.00 174.94 176.10 1jdz s ARG 86 N 1.43 4.42 -0.24 2.79 1.81 -0.23 -1.22 118.95 127.72 1jdz s ARG 86 Ca -0.02 1.64 -0.01 0.00 -1.72 0.00 0.00 55.73 55.62 1jdz s ARG 86 Cb -0.17 -3.46 0.07 0.00 -0.45 0.00 0.00 34.95 30.94 1jdz s ARG 86 CO -0.08 -0.29 0.01 -0.47 -0.68 0.00 0.00 175.30 173.79 1jdz s TYR 87 N 1.56 1.83 0.00 -0.53 5.04 -0.15 -1.47 117.35 123.63 1jdz s TYR 87 Ca 0.56 -1.48 0.00 0.00 -2.44 0.00 0.00 57.07 53.70 1jdz s TYR 87 Cb -0.25 -1.46 0.00 0.00 0.35 0.00 0.00 41.96 40.60 1jdz s TYR 87 CO 0.25 -0.74 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 1jdz n GLY 88 N 4.82 5.19 3.59 8.97 0.00 -1.15 -4.39 105.19 122.23 1jdz n GLY 88 Ca -0.08 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 1jdz n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jdz s THR 89 N -0.46 3.06 0.18 2.61 -4.23 -1.26 -0.61 115.64 114.92 1jdz s THR 89 Ca 0.00 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.25 1jdz s THR 89 Cb 0.00 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1jdz s THR 89 CO 0.00 -0.36 0.55 0.28 -0.54 0.00 0.00 174.62 174.56 1jdz s THR 90 N -2.40 0.02 -0.21 3.99 -1.32 -0.58 -4.79 115.64 110.34 1jdz s THR 90 Ca 0.32 -0.52 -0.04 0.00 -1.21 0.00 0.00 61.69 60.23 1jdz s THR 90 Cb -0.05 -1.38 -0.01 0.00 -1.51 0.00 0.00 72.50 69.54 1jdz s THR 90 CO 0.18 -0.09 -0.03 -0.83 -2.21 0.00 0.00 174.62 171.64 1jdz s GLY 91 N -2.83 1.65 0.34 6.08 0.00 -0.96 -1.54 107.32 110.06 1jdz s GLY 91 Ca 0.06 -1.10 -0.28 0.00 0.00 0.00 0.00 44.72 43.40 1jdz s GLY 91 CO -0.06 0.34 1.24 0.00 0.00 0.00 0.00 173.10 174.63 1jdz s ALA 92 N 1.29 3.39 -1.73 3.20 0.00 0.07 -0.69 121.76 127.29 1jdz s ALA 92 Ca 0.04 1.14 0.21 0.00 0.00 0.00 0.00 51.96 53.34 1jdz s ALA 92 Cb -0.14 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1jdz s ALA 92 CO -0.01 -0.56 1.00 1.28 0.00 0.00 0.00 175.76 177.47 1jdz n LEU 93 N 0.66 1.76 -4.37 0.00 4.77 0.65 -0.95 117.00 119.52 1jdz n LEU 93 Ca 0.01 -0.71 -0.30 0.00 -0.03 0.00 0.00 56.01 54.97 1jdz n LEU 93 Cb 0.43 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 1jdz n LEU 93 CO 0.56 0.34 -0.55 0.68 -1.33 0.00 0.00 177.39 177.09 1jdz s VAL 94 N -2.44 2.31 0.21 4.08 -7.23 -1.24 -4.58 120.40 111.52 1jdz s VAL 94 Ca 0.15 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 1jdz s VAL 94 Cb 0.17 -1.92 0.16 0.00 0.56 0.00 0.00 36.38 35.35 1jdz s VAL 94 CO 0.58 0.36 1.88 -0.65 -0.31 0.00 0.00 175.10 176.96 1jdz h PRO 95 N 4.72 1.03 0.00 4.82 0.11 -1.92 -3.24 132.00 137.51 1jdz h PRO 95 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1jdz h PRO 95 Cb 1.15 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1jdz h PRO 95 CO 0.44 0.69 0.00 2.48 -0.21 0.00 0.00 178.00 181.41 1jdz n TYR 96 N -4.53 0.00 -3.92 0.65 0.18 -1.26 -4.70 117.16 103.58 1jdz n TYR 96 Ca 0.07 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.50 1jdz n TYR 96 Cb 0.03 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.88 1jdz n TYR 96 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1jdz s ILE 97 N -2.00 4.78 0.24 -3.48 1.01 -1.23 -5.10 121.20 115.43 1jdz s ILE 97 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 1jdz s ILE 97 Cb 0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1jdz s ILE 97 CO 0.14 0.42 0.43 0.20 0.00 0.00 0.00 174.94 176.14 1jdz s ASN 98 N 0.70 6.38 0.36 3.58 0.01 -1.26 -4.96 114.94 119.74 1jdz s ASN 98 Ca 0.04 0.43 -0.28 0.00 -0.71 0.00 0.00 52.86 52.34 1jdz s ASN 98 Cb -0.13 -2.02 -0.11 0.00 0.41 0.00 0.00 41.25 39.39 1jdz s ASN 98 CO 0.02 -0.10 1.46 0.18 -1.51 0.00 0.00 177.10 177.15 1jdz n LEU 99 N -0.90 4.50 0.00 0.60 4.77 -1.26 -2.16 117.00 122.55 1jdz n LEU 99 Ca -0.05 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 1jdz n LEU 99 Cb 0.54 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1jdz n LEU 99 CO 0.48 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1jdz n GLY 100 N 0.70 2.07 3.94 -0.72 0.00 0.16 -5.00 105.19 106.35 1jdz n GLY 100 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1jdz n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jdz s GLU 101 N -0.36 2.06 0.28 1.61 2.02 -0.92 -4.76 118.70 118.63 1jdz s GLU 101 Ca 0.00 -0.37 0.10 0.00 0.02 0.00 0.00 54.97 54.72 1jdz s GLU 101 Cb 0.00 -2.18 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 1jdz s GLU 101 CO 0.00 -1.31 -0.04 0.71 0.02 0.00 0.00 175.26 174.64 1jdz s TYR 102 N -3.25 2.60 -0.13 1.61 1.51 -0.68 -1.26 117.35 117.74 1jdz s TYR 102 Ca 0.61 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1jdz s TYR 102 Cb -0.10 -1.19 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1jdz s TYR 102 CO 0.45 0.62 -0.05 0.42 -1.11 0.00 0.00 175.55 175.88 1jdz s ILE 103 N -2.38 0.94 -0.33 2.71 1.01 -0.14 -1.39 121.20 121.62 1jdz s ILE 103 Ca 0.32 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 1jdz s ILE 103 Cb -0.05 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1jdz s ILE 103 CO 0.19 0.22 0.44 -0.63 0.00 0.00 0.00 174.94 175.16 1jdz s ILE 104 N 1.72 5.09 0.02 2.92 1.01 0.05 -0.35 121.20 131.67 1jdz s ILE 104 Ca 0.03 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 1jdz s ILE 104 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1jdz s ILE 104 CO -0.08 -0.10 1.14 -0.69 0.00 0.00 0.00 174.94 175.21 1jdz s VAL 105 N 2.22 4.31 -0.99 2.92 1.01 -0.73 -2.63 120.40 126.51 1jdz s VAL 105 Ca 0.16 1.65 0.14 0.00 0.00 0.00 0.00 61.98 63.94 1jdz s VAL 105 Cb -0.16 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1jdz s VAL 105 CO 0.12 0.10 0.70 0.35 0.00 0.00 0.00 175.10 176.37 1jdz n THR 106 N 4.05 0.00 0.00 3.92 -2.24 -0.80 -4.60 114.28 114.61 1jdz n THR 106 Ca 0.08 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1jdz n THR 106 Cb 0.48 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1jdz n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jdz n GLY 107 N 1.22 1.04 2.91 3.38 0.00 -1.26 -4.46 105.19 108.01 1jdz n GLY 107 Ca 0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 1jdz n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdz s ALA 108 N -2.00 0.73 0.31 4.61 0.00 -0.60 -1.72 121.76 123.10 1jdz s ALA 108 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 1jdz s ALA 108 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 1jdz s ALA 108 CO 0.00 0.01 0.64 -1.12 0.00 0.00 0.00 175.76 175.28 1jdz s SER 109 N 0.87 6.55 0.02 0.00 0.01 0.11 -4.58 113.70 116.67 1jdz s SER 109 Ca -0.12 0.95 -0.28 0.00 1.31 0.00 0.00 55.95 57.82 1jdz s SER 109 Cb -0.15 -2.24 0.09 0.00 0.21 0.00 0.00 66.02 63.93 1jdz s SER 109 CO 0.01 -0.23 0.75 -0.72 0.41 0.00 0.00 173.24 173.45 1jdz s TYR 110 N -2.10 -0.50 0.07 2.43 1.13 -1.26 -1.35 117.35 115.77 1jdz s TYR 110 Ca 0.48 0.57 -0.20 0.00 -1.41 0.00 0.00 57.07 56.51 1jdz s TYR 110 Cb -0.11 0.50 -0.07 0.00 -1.10 0.00 0.00 41.96 41.18 1jdz s TYR 110 CO 0.27 -0.64 0.60 -0.80 -2.51 0.00 0.00 175.55 172.47 1jdz s ASN 111 N -2.02 7.10 0.93 -0.18 0.01 -1.26 -5.06 114.94 114.46 1jdz s ASN 111 Ca -0.02 1.30 -0.14 0.00 -0.71 0.00 0.00 52.86 53.29 1jdz s ASN 111 Cb -0.01 -2.38 0.16 0.00 0.41 0.00 0.00 41.25 39.43 1jdz s ASN 111 CO -0.04 0.24 1.22 0.00 -1.51 0.00 0.00 177.10 177.01 1jdz s GLN 112 N -0.95 0.92 0.00 -0.60 1.03 -1.26 -4.98 119.66 113.81 1jdz s GLN 112 Ca 0.30 -0.08 0.00 0.00 0.04 0.00 0.00 55.36 55.62 1jdz s GLN 112 Cb -0.20 -1.85 0.00 0.00 0.03 0.00 0.00 33.01 30.99 1jdz s GLN 112 CO 0.20 -2.28 0.00 0.41 -2.54 0.00 0.00 175.29 171.08 1jdz n GLY 113 N -3.01 0.27 1.34 2.60 0.00 -1.26 -5.02 105.19 100.10 1jdz n GLY 113 Ca 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1jdz n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdz n GLY 114 N 0.00 0.37 0.27 -0.02 0.00 -1.26 -1.08 105.19 103.47 1jdz n GLY 114 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1jdz n GLY 114 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jdz h LEU 115 N 0.00 0.21 -0.45 0.99 6.46 -1.98 -0.55 115.31 119.99 1jdz h LEU 115 Ca 0.00 0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1jdz h LEU 115 Cb 0.00 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1jdz h LEU 115 CO 0.00 0.07 0.08 -0.26 -0.62 0.00 0.00 178.44 177.71 1jdz h PHE 116 N 0.40 0.78 0.06 1.25 -1.00 -1.50 -1.72 116.94 115.20 1jdz h PHE 116 Ca 0.41 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 61.08 1jdz h PHE 116 Cb 0.63 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1jdz h PHE 116 CO -0.19 0.73 -0.06 -0.92 -1.61 0.00 0.00 178.31 176.26 1jdz h TYR 117 N 0.60 -0.16 -0.83 -0.55 3.20 -0.25 0.36 116.97 119.34 1jdz h TYR 117 Ca 0.14 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1jdz h TYR 117 Cb 0.37 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1jdz h TYR 117 CO 0.02 -0.10 0.52 1.96 -1.64 0.00 0.00 178.16 178.93 1jdz h GLN 118 N -0.14 0.95 0.12 1.82 4.20 -1.02 0.26 115.11 121.30 1jdz h GLN 118 Ca 0.00 -0.06 -0.27 0.00 0.06 0.00 0.00 58.65 58.39 1jdz h GLN 118 Cb 0.14 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 27.73 1jdz h GLN 118 CO -0.02 0.63 -1.13 1.88 -0.67 0.00 0.00 178.83 179.52 1jdz h TYR 119 N 0.98 0.92 0.00 2.96 0.05 -1.09 -3.37 116.97 117.42 1jdz h TYR 119 Ca 0.35 -0.58 -0.03 0.00 0.05 0.00 0.00 58.73 58.52 1jdz h TYR 119 Cb 0.09 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 1jdz h TYR 119 CO -0.03 1.43 -0.71 -0.07 -1.05 0.00 0.00 178.16 177.72 1jdz h LEU 120 N 0.15 0.00 0.00 3.88 3.38 -0.18 -3.48 115.31 119.05 1jdz h LEU 120 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jdz h LEU 120 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1jdz h LEU 120 CO 0.22 0.10 0.00 0.54 0.09 0.00 0.00 178.44 179.38 1jdz n ARG 121 N -2.86 0.00 -1.31 1.13 5.12 0.91 -4.94 116.66 114.71 1jdz n ARG 121 Ca 0.00 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1jdz n ARG 121 Cb 0.59 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 1jdz n ARG 121 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1jdz n ASP 122 N 0.00 -0.04 -2.11 0.55 3.85 -1.26 -5.02 116.55 112.52 1jdz n ASP 122 Ca 0.00 -1.04 -0.19 0.00 -0.71 0.00 0.00 54.79 52.85 1jdz n ASP 122 Cb 0.00 0.07 0.21 0.00 -1.35 0.00 0.00 41.12 40.05 1jdz n ASP 122 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1jdz n ASN 123 N -1.50 3.89 -4.77 -1.12 3.02 -1.26 -4.49 115.26 109.03 1jdz n ASN 123 Ca -0.00 -3.54 -0.40 0.00 -0.03 0.00 0.00 54.58 50.61 1jdz n ASN 123 Cb 0.01 -0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 38.37 1jdz n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jdz s ALA 124 N -3.23 3.39 -1.07 5.41 0.00 -1.26 -4.92 121.76 120.08 1jdz s ALA 124 Ca 0.56 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.63 1jdz s ALA 124 Cb 0.47 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 20.21 1jdz s ALA 124 CO 0.11 -0.79 1.32 0.00 0.00 0.00 0.00 175.76 176.40 1jdz s VAL 126 N 2.76 3.87 -0.23 0.00 1.01 -1.26 -4.93 120.40 121.61 1jdz s VAL 126 Ca 0.40 1.48 -0.34 0.00 0.00 0.00 0.00 61.98 63.51 1jdz s VAL 126 Cb -0.03 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 1jdz s VAL 126 CO -0.05 0.19 2.04 0.00 0.00 0.00 0.00 175.10 177.28 1jdz n ALA 127 N 3.07 1.00 -3.29 5.51 0.00 -1.26 -4.89 120.51 120.65 1jdz n ALA 127 Ca 0.06 0.08 -0.47 0.00 0.00 0.00 0.00 53.44 53.11 1jdz n ALA 127 Cb 0.46 -2.56 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 1jdz n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jdz s SER 128 N 5.93 6.81 0.14 0.00 0.15 -1.26 -4.81 113.70 120.65 1jdz s SER 128 Ca 1.01 -2.73 0.05 0.00 0.70 0.00 0.00 55.95 54.97 1jdz s SER 128 Cb -0.73 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.31 1jdz s SER 128 CO 0.49 -0.59 -0.11 0.42 1.20 0.00 0.00 173.24 174.66 1jdz s THR 129 N 0.25 1.15 0.82 6.45 -4.23 -1.26 -1.56 115.64 117.27 1jdz s THR 129 Ca 0.21 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1jdz s THR 129 Cb -0.09 -1.73 0.13 0.00 1.34 0.00 0.00 72.50 72.15 1jdz s THR 129 CO -0.09 -0.67 1.15 -2.16 -0.54 0.00 0.00 174.62 172.30 1jdz s PRO 130 N -3.45 1.43 0.10 3.99 0.04 -1.26 -4.72 135.00 131.13 1jdz s PRO 130 Ca 0.14 -0.49 -0.31 0.00 0.04 0.00 0.00 61.00 60.38 1jdz s PRO 130 Cb 0.01 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1jdz s PRO 130 CO 0.01 -1.79 1.40 0.34 0.04 0.00 0.00 177.00 177.00 1jdz s ASP 131 N -4.72 6.82 0.09 6.66 2.15 0.12 -4.94 116.67 122.84 1jdz s ASP 131 Ca 0.67 2.30 -0.31 0.00 0.43 0.00 0.00 52.55 55.64 1jdz s ASP 131 Cb -0.07 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.82 1jdz s ASP 131 CO 0.48 -0.67 1.62 0.15 -0.17 0.00 0.00 175.17 176.59 1jdz h PHE 132 N 7.02 -0.85 -0.29 -5.34 3.57 -1.95 -2.06 116.94 117.04 1jdz h PHE 132 Ca -0.41 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.13 1jdz h PHE 132 Cb 1.20 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 1jdz h PHE 132 CO 0.68 -0.48 -0.00 0.93 -2.23 0.00 0.00 178.31 177.21 1jdz h GLU 133 N -0.75 0.08 -0.76 1.11 5.08 -1.98 -2.35 114.58 115.01 1jdz h GLU 133 Ca -0.04 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jdz h GLU 133 Cb 0.64 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1jdz h GLU 133 CO 0.01 0.05 0.46 1.25 -1.00 0.00 0.00 179.01 179.79 1jdz h LEU 134 N 0.08 0.91 -0.79 1.33 6.46 -1.91 -2.38 115.31 119.01 1jdz h LEU 134 Ca 0.14 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1jdz h LEU 134 Cb 0.19 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1jdz h LEU 134 CO -0.24 0.70 0.26 0.74 -0.62 0.00 0.00 178.44 179.29 1jdz h THR 135 N 1.04 1.26 -0.28 1.05 2.02 -1.06 -1.94 112.91 114.99 1jdz h THR 135 Ca 0.27 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1jdz h THR 135 Cb -0.05 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1jdz h THR 135 CO -0.05 0.35 -0.09 0.78 0.37 0.00 0.00 175.52 176.88 1jdz h ASN 136 N 1.12 0.44 -0.07 4.18 2.35 -1.13 -1.83 115.58 120.64 1jdz h ASN 136 Ca 0.25 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1jdz h ASN 136 Cb 0.27 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1jdz h ASN 136 CO -0.01 0.57 -0.17 0.11 -1.65 0.00 0.00 177.43 176.28 1jdz h LYS 137 N 0.43 0.43 -0.24 0.81 1.57 -0.91 -0.85 116.57 117.81 1jdz h LYS 137 Ca 0.08 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1jdz h LYS 137 Cb 0.43 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1jdz h LYS 137 CO 0.02 0.59 0.09 -0.07 -0.57 0.00 0.00 179.45 179.52 1jdz h LEU 138 N 0.40 0.33 -0.77 2.94 3.38 -0.61 -0.55 115.31 120.43 1jdz h LEU 138 Ca 0.07 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1jdz h LEU 138 Cb 0.53 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1jdz h LEU 138 CO 0.03 0.41 0.47 0.58 0.09 0.00 0.00 178.44 180.03 1jdz h VAL 139 N 0.23 1.04 -0.36 1.22 2.07 -0.95 -0.84 116.25 118.66 1jdz h VAL 139 Ca 0.08 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1jdz h VAL 139 Cb 0.19 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1jdz h VAL 139 CO -0.01 0.16 -0.07 0.74 0.02 0.00 0.00 177.57 178.42 1jdz h THR 140 N 0.88 1.23 -0.04 2.57 2.02 -0.79 -1.04 112.91 117.74 1jdz h THR 140 Ca 0.33 -0.99 -0.23 0.00 0.77 0.00 0.00 66.41 66.29 1jdz h THR 140 Cb 0.13 1.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1jdz h THR 140 CO -0.16 0.33 -0.91 0.28 0.37 0.00 0.00 175.52 175.44 1jdz h SER 141 N 0.57 0.72 0.37 4.18 0.02 -0.32 -2.17 113.55 116.92 1jdz h SER 141 Ca 0.11 -0.54 -0.17 0.00 -0.84 0.00 0.00 61.79 60.34 1jdz h SER 141 Cb 0.46 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1jdz h SER 141 CO 0.02 1.33 -0.72 -0.26 -1.14 0.00 0.00 176.83 176.06 1jdz h PHE 142 N 0.35 0.41 -0.33 3.45 -1.00 -1.11 -2.69 116.94 116.02 1jdz h PHE 142 Ca -0.08 -0.18 -0.10 0.00 2.81 0.00 0.00 57.97 60.42 1jdz h PHE 142 Cb 1.54 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 41.03 1jdz h PHE 142 CO 0.08 0.92 -0.17 1.03 -1.61 0.00 0.00 178.31 178.56 1jdz h SER 143 N 0.20 0.72 0.46 2.17 0.87 -1.21 -1.13 113.55 115.63 1jdz h SER 143 Ca -0.03 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1jdz h SER 143 Cb 1.29 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1jdz h SER 143 CO 0.12 0.97 -0.15 0.11 -0.53 0.00 0.00 176.83 177.35 1jdz h LYS 144 N 0.46 0.00 -0.61 2.24 1.57 -1.34 -1.57 116.57 117.32 1jdz h LYS 144 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jdz h LYS 144 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1jdz h LYS 144 CO 0.05 0.15 0.00 0.54 -0.57 0.00 0.00 179.45 179.62 1jdz n ARG 145 N -3.62 2.92 -3.82 3.15 1.74 -1.02 -4.95 116.66 111.07 1jdz n ARG 145 Ca -0.01 -2.23 -0.23 0.00 -0.77 0.00 0.00 57.85 54.60 1jdz n ARG 145 Cb 0.28 -1.67 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1jdz n ARG 145 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jdz n ASN 146 N 0.98 -0.90 -4.74 0.55 3.02 -0.59 -4.98 115.26 108.59 1jdz n ASN 146 Ca 0.20 -0.90 -0.36 0.00 -0.03 0.00 0.00 54.58 53.50 1jdz n ASN 146 Cb 0.66 -3.61 -0.08 0.00 -0.61 0.00 0.00 39.78 36.14 1jdz n ASN 146 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jdz s LEU 147 N -6.82 3.85 -0.31 3.41 1.43 -0.45 -5.05 118.68 114.74 1jdz s LEU 147 Ca 0.03 0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 1jdz s LEU 147 Cb -0.01 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1jdz s LEU 147 CO 0.85 0.37 1.13 -0.75 0.23 0.00 0.00 176.35 178.18 1jdz s LYS 148 N -0.79 4.04 0.16 1.70 2.47 -1.26 -4.64 119.74 121.42 1jdz s LYS 148 Ca 0.13 1.13 -0.00 0.00 -1.56 0.00 0.00 55.97 55.66 1jdz s LYS 148 Cb -0.12 -3.77 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1jdz s LYS 148 CO 0.03 -0.94 0.06 1.52 0.16 0.00 0.00 175.35 176.17 1jdz s TYR 149 N 3.80 1.05 0.06 4.03 -0.85 -1.26 -1.68 117.35 122.50 1jdz s TYR 149 Ca 0.48 -1.21 0.03 0.00 -0.52 0.00 0.00 57.07 55.85 1jdz s TYR 149 Cb -0.13 -0.58 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 1jdz s TYR 149 CO 0.17 -0.46 -0.10 0.71 -1.52 0.00 0.00 175.55 174.36 1jdz s TYR 150 N -3.96 0.88 -0.15 -3.49 1.51 -0.48 -4.95 117.35 106.70 1jdz s TYR 150 Ca 0.28 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1jdz s TYR 150 Cb 0.07 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.40 1jdz s TYR 150 CO 0.05 -0.04 -0.11 0.08 -1.11 0.00 0.00 175.55 174.42 1jdz s VAL 151 N -1.55 3.10 0.00 0.71 1.01 -1.26 -0.77 120.40 121.65 1jdz s VAL 151 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1jdz s VAL 151 Cb -0.09 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1jdz s VAL 151 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1jdz n GLY 152 N 3.83 -0.56 3.89 4.51 0.00 -1.08 -4.99 105.19 110.80 1jdz n GLY 152 Ca -0.18 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1jdz n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jdz s ASN 153 N 0.00 6.27 0.13 1.61 0.01 -1.26 -1.90 114.94 119.80 1jdz s ASN 153 Ca 0.00 1.10 0.03 0.00 -0.71 0.00 0.00 52.86 53.28 1jdz s ASN 153 Cb 0.00 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1jdz s ASN 153 CO 0.00 -0.67 -0.08 0.68 -1.51 0.00 0.00 177.10 175.53 1jdz s VAL 154 N -2.87 0.91 -0.22 1.60 -7.23 -0.70 -0.96 120.40 110.94 1jdz s VAL 154 Ca 0.50 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 1jdz s VAL 154 Cb -0.11 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1jdz s VAL 154 CO 0.47 -0.78 0.12 0.12 -0.31 0.00 0.00 175.10 174.71 1jdz s PHE 155 N -3.49 3.27 -0.73 2.82 5.36 -0.42 -0.71 117.98 124.08 1jdz s PHE 155 Ca 0.15 0.10 -0.17 0.00 -0.96 0.00 0.00 56.93 56.06 1jdz s PHE 155 Cb 0.04 -2.20 0.15 0.00 -0.34 0.00 0.00 43.02 40.67 1jdz s PHE 155 CO -0.02 0.05 0.78 -1.12 -1.46 0.00 0.00 175.22 173.46 1jdz s SER 156 N 0.87 6.46 0.48 6.13 0.01 -0.45 -1.59 113.70 125.61 1jdz s SER 156 Ca 0.06 -2.02 -0.19 0.00 1.31 0.00 0.00 55.95 55.12 1jdz s SER 156 Cb -0.13 -2.28 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 1jdz s SER 156 CO 0.03 -0.89 0.98 -0.55 0.41 0.00 0.00 173.24 173.21 1jdz s SER 157 N 3.14 6.68 -0.00 2.44 0.15 -0.12 -4.63 113.70 121.35 1jdz s SER 157 Ca 0.17 1.66 0.13 0.00 0.70 0.00 0.00 55.95 58.61 1jdz s SER 157 Cb -0.16 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.46 1jdz s SER 157 CO -0.02 -0.55 0.53 0.47 1.20 0.00 0.00 173.24 174.87 1jdz n ASP 158 N -1.18 0.81 -3.66 5.45 8.00 -1.26 -4.40 116.55 120.31 1jdz n ASP 158 Ca 0.07 -0.70 -0.29 0.00 0.71 0.00 0.00 54.79 54.58 1jdz n ASP 158 Cb 0.54 1.09 -0.14 0.00 -0.02 0.00 0.00 41.12 42.59 1jdz n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdz s ALA 159 N -2.36 1.49 0.24 2.24 0.00 -1.26 -5.01 121.76 117.10 1jdz s ALA 159 Ca 0.04 -1.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.05 1jdz s ALA 159 Cb 0.10 -1.67 0.41 0.00 0.00 0.00 0.00 23.12 21.97 1jdz s ALA 159 CO 0.55 -1.85 1.75 0.35 0.00 0.00 0.00 175.76 176.56 1jdz h PHE 160 N 7.56 0.57 -0.23 0.00 3.57 -2.00 -2.99 116.94 123.42 1jdz h PHE 160 Ca -0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1jdz h PHE 160 Cb 0.98 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1jdz h PHE 160 CO 0.40 0.13 0.00 0.66 -2.23 0.00 0.00 178.31 177.27 1jdz n TYR 161 N -4.95 0.28 -1.90 0.41 4.02 -1.26 -4.97 117.16 108.79 1jdz n TYR 161 Ca 0.13 -0.14 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 1jdz n TYR 161 Cb 0.36 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.67 1jdz n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jdz s ALA 162 N -1.72 3.57 0.13 -0.72 0.00 -1.13 -4.95 121.76 116.93 1jdz s ALA 162 Ca 0.34 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.51 1jdz s ALA 162 Cb 0.22 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1jdz s ALA 162 CO 0.31 -0.92 0.84 -1.83 0.00 0.00 0.00 175.76 174.16 1jdz s GLU 163 N -1.82 4.62 -0.35 0.00 -1.05 -1.26 -5.01 118.70 113.84 1jdz s GLU 163 Ca 0.53 1.25 0.07 0.00 -0.15 0.00 0.00 54.97 56.66 1jdz s GLU 163 Cb -0.44 -3.32 0.19 0.00 -0.44 0.00 0.00 34.13 30.12 1jdz s GLU 163 CO 0.58 0.41 0.61 0.34 0.95 0.00 0.00 175.26 178.16 1jdz s ASP 164 N -0.61 -1.58 0.54 0.83 -1.08 -1.26 -5.05 116.67 108.46 1jdz s ASP 164 Ca 0.40 -0.27 0.21 0.00 -0.52 0.00 0.00 52.55 52.37 1jdz s ASP 164 Cb -0.23 1.99 1.45 0.00 -1.46 0.00 0.00 42.92 44.68 1jdz s ASP 164 CO 0.27 -0.24 2.16 1.05 0.52 0.00 0.00 175.17 178.93 1jdz h GLU 165 N 7.51 0.00 -0.56 4.34 4.11 -2.05 -2.23 114.58 125.70 1jdz h GLU 165 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1jdz h GLU 165 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1jdz h GLU 165 CO 0.12 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.59 1jdz n GLU 166 N -4.29 4.37 -0.16 1.06 1.02 -1.26 -4.76 120.64 116.62 1jdz n GLU 166 Ca -0.01 -3.05 -0.13 0.00 -0.02 0.00 0.00 57.16 53.94 1jdz n GLU 166 Cb 0.15 -2.12 -0.10 0.00 -0.02 0.00 0.00 31.44 29.36 1jdz n GLU 166 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1jdz h PHE 167 N 3.75 -1.70 -0.36 -0.32 3.57 -1.83 -0.48 116.94 119.57 1jdz h PHE 167 Ca 0.00 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1jdz h PHE 167 Cb 1.78 0.80 -0.02 0.00 2.79 0.00 0.00 35.95 41.30 1jdz h PHE 167 CO 0.94 -0.48 0.23 0.28 -2.23 0.00 0.00 178.31 177.05 1jdz h VAL 168 N -0.36 1.08 -0.03 1.41 2.07 -1.86 -2.34 116.25 116.23 1jdz h VAL 168 Ca 0.09 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1jdz h VAL 168 Cb 0.58 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1jdz h VAL 168 CO -0.63 0.09 0.01 0.50 0.02 0.00 0.00 177.57 177.56 1jdz h LYS 169 N 0.47 0.04 0.26 1.57 3.64 -1.88 -1.51 116.57 119.17 1jdz h LYS 169 Ca 0.13 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1jdz h LYS 169 Cb -0.04 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1jdz h LYS 169 CO -0.04 0.15 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.68 1jdz h LYS 170 N -0.07 -0.69 -0.28 1.90 3.64 -1.02 -0.23 116.57 119.81 1jdz h LYS 170 Ca 0.01 0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1jdz h LYS 170 Cb 0.12 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1jdz h LYS 170 CO -0.00 -0.46 -0.38 -1.49 -2.27 0.00 0.00 179.45 174.85 1jdz h TRP 171 N -0.72 0.78 -0.08 1.91 4.06 -1.45 -2.68 115.95 117.78 1jdz h TRP 171 Ca -0.01 -0.22 -0.14 0.00 2.06 0.00 0.00 58.89 60.58 1jdz h TRP 171 Cb 0.68 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.66 1jdz h TRP 171 CO -0.28 0.94 -0.57 0.66 -3.56 0.00 0.00 178.44 175.63 1jdz h SER 172 N 0.55 0.27 0.61 -3.49 4.64 -1.25 -1.91 113.55 112.97 1jdz h SER 172 Ca 0.05 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1jdz h SER 172 Cb 0.90 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1jdz h SER 172 CO 0.08 0.78 0.00 -1.54 -0.87 0.00 0.00 176.83 175.28 1jdz n SER 173 N -3.90 0.00 -1.79 4.97 3.41 -0.10 -2.47 113.62 113.74 1jdz n SER 173 Ca -0.02 0.30 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 1jdz n SER 173 Cb 0.60 -0.42 0.39 0.00 -0.26 0.00 0.00 64.21 64.52 1jdz n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jdz n ARG 174 N -1.42 4.52 -0.79 4.33 1.74 -0.75 -4.92 116.66 119.37 1jdz n ARG 174 Ca 0.07 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 1jdz n ARG 174 Cb 0.22 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 1jdz n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdz n GLY 175 N 0.77 0.64 3.81 -0.13 0.00 -1.03 -5.05 105.19 104.19 1jdz n GLY 175 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 1jdz n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jdz s ASN 176 N -2.11 6.26 0.00 1.61 0.01 -1.01 -4.04 114.94 115.66 1jdz s ASN 176 Ca 0.00 0.36 0.17 0.00 -0.71 0.00 0.00 52.86 52.67 1jdz s ASN 176 Cb 0.00 -2.06 0.06 0.00 0.41 0.00 0.00 41.25 39.66 1jdz s ASN 176 CO 0.00 0.31 0.94 2.30 -1.51 0.00 0.00 177.10 179.15 1jdz n ILE 177 N 2.62 0.00 -3.45 0.60 -5.35 -0.13 -3.93 119.36 109.72 1jdz n ILE 177 Ca -0.18 -0.41 -0.11 0.00 -0.27 0.00 0.00 62.75 61.78 1jdz n ILE 177 Cb 0.54 1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 39.68 1jdz n ILE 177 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jdz s ALA 178 N -1.69 -1.68 -0.07 -1.28 0.00 -1.25 -0.25 121.76 115.54 1jdz s ALA 178 Ca 0.16 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1jdz s ALA 178 Cb 0.14 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1jdz s ALA 178 CO 0.32 -0.74 -0.24 0.54 0.00 0.00 0.00 175.76 175.63 1jdz s VAL 179 N -3.53 2.08 0.00 0.00 0.11 0.13 -1.30 120.40 117.88 1jdz s VAL 179 Ca 0.02 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1jdz s VAL 179 Cb -0.01 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1jdz s VAL 179 CO -0.12 0.57 0.00 1.21 -3.33 0.00 0.00 175.10 173.43 1jdz n GLU 180 N 3.12 0.00 0.00 1.54 0.00 -0.62 -2.27 120.64 122.41 1jdz n GLU 180 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1jdz n GLU 180 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.96 1jdz n GLU 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1jdz n MET 181 N 0.00 3.44 0.00 5.31 2.81 -1.26 -0.94 117.12 126.48 1jdz n MET 181 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1jdz n MET 181 Cb 0.00 -0.27 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 1jdz n MET 181 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1jdz n GLU 182 N -0.50 0.65 -0.24 0.03 0.00 -1.26 -3.89 120.64 115.42 1jdz n GLU 182 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 57.16 56.42 1jdz n GLU 182 Cb 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 31.44 30.76 1jdz n GLU 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jdz h ALA 184 N 1.07 0.66 -0.35 0.00 0.00 -1.88 -0.45 119.26 118.31 1jdz h ALA 184 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jdz h ALA 184 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jdz h ALA 184 CO 0.00 -0.09 0.14 1.15 0.00 0.00 0.00 179.25 180.46 1jdz h THR 185 N 0.50 1.18 0.51 0.00 2.02 -1.86 -1.95 112.91 113.31 1jdz h THR 185 Ca 0.23 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1jdz h THR 185 Cb 0.14 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1jdz h THR 185 CO -0.16 0.20 -0.28 0.25 0.37 0.00 0.00 175.52 175.89 1jdz h LEU 186 N 0.42 -0.69 0.04 2.58 5.85 -0.90 -1.56 115.31 121.05 1jdz h LEU 186 Ca 0.12 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1jdz h LEU 186 Cb 0.18 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1jdz h LEU 186 CO -0.01 -0.46 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.30 1jdz h PHE 187 N -0.74 -0.20 -0.27 1.25 0.05 -1.10 -1.02 116.94 114.93 1jdz h PHE 187 Ca -0.06 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.71 1jdz h PHE 187 Cb 0.59 0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.61 1jdz h PHE 187 CO -0.07 -0.12 0.10 1.15 -0.18 0.00 0.00 178.31 179.19 1jdz h THR 188 N -0.15 1.18 -0.62 -1.55 2.02 -1.39 -1.79 112.91 110.61 1jdz h THR 188 Ca 0.02 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1jdz h THR 188 Cb 0.17 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1jdz h THR 188 CO -0.05 0.18 0.19 0.25 0.37 0.00 0.00 175.52 176.46 1jdz h LEU 189 N 0.28 0.87 -1.00 2.58 5.85 -1.24 -1.89 115.31 120.75 1jdz h LEU 189 Ca 0.09 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1jdz h LEU 189 Cb 0.19 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1jdz h LEU 189 CO -0.01 0.82 0.31 0.28 -0.34 0.00 0.00 178.44 179.50 1jdz h SER 190 N 0.91 0.94 -0.52 1.25 0.02 -0.98 0.80 113.55 115.97 1jdz h SER 190 Ca 0.20 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1jdz h SER 190 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1jdz h SER 190 CO -0.01 0.81 -0.15 0.11 -1.14 0.00 0.00 176.83 176.45 1jdz h LYS 191 N 1.01 1.02 -0.27 3.45 6.56 -0.85 0.18 116.57 127.67 1jdz h LYS 191 Ca 0.24 -0.40 -0.13 0.00 -1.06 0.00 0.00 60.65 59.30 1jdz h LYS 191 Cb 0.15 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1jdz h LYS 191 CO -0.03 1.08 -0.34 0.28 -2.06 0.00 0.00 179.45 178.39 1jdz h VAL 192 N 0.88 1.31 -0.00 0.50 2.07 -0.96 -3.27 116.25 116.78 1jdz h VAL 192 Ca 0.13 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1jdz h VAL 192 Cb 0.72 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1jdz h VAL 192 CO 0.06 0.48 -0.35 0.29 0.02 0.00 0.00 177.57 178.07 1jdz n LYS 193 N -4.24 0.05 -0.91 1.57 4.76 0.24 -4.97 118.16 114.66 1jdz n LYS 193 Ca -0.04 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1jdz n LYS 193 Cb 0.50 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1jdz n LYS 193 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jdz n GLY 194 N 1.49 0.44 3.90 0.72 0.00 0.46 -5.05 105.19 107.16 1jdz n GLY 194 Ca 0.06 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1jdz n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jdz s TRP 195 N -2.00 3.53 -0.30 1.61 0.51 -0.30 -5.02 118.94 116.97 1jdz s TRP 195 Ca 0.00 0.81 -0.11 0.00 -2.12 0.00 0.00 56.10 54.68 1jdz s TRP 195 Cb 0.00 -2.28 -0.04 0.00 -0.81 0.00 0.00 33.47 30.34 1jdz s TRP 195 CO 0.00 -0.15 0.19 0.15 -0.51 0.00 0.00 176.95 176.63 1jdz s LYS 196 N -4.35 3.76 0.14 4.98 1.02 -0.31 -4.53 119.74 120.45 1jdz s LYS 196 Ca 0.47 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 56.05 1jdz s LYS 196 Cb -0.10 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 1jdz s LYS 196 CO 0.39 -0.27 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.35 1jdz s SER 197 N 1.73 1.58 0.27 2.83 0.01 -1.26 -0.83 113.70 118.03 1jdz s SER 197 Ca 0.07 -1.03 -0.21 0.00 1.31 0.00 0.00 55.95 56.09 1jdz s SER 197 Cb -0.16 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1jdz s SER 197 CO 0.10 -0.39 0.78 0.00 0.41 0.00 0.00 173.24 174.14 1jdz s ALA 198 N -3.43 -1.24 -0.09 1.44 0.00 -0.87 0.10 121.76 117.66 1jdz s ALA 198 Ca 0.16 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 1jdz s ALA 198 Cb 0.04 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.98 1jdz s ALA 198 CO -0.00 -1.03 0.40 0.99 0.00 0.00 0.00 175.76 176.11 1jdz s THR 199 N -3.54 0.02 -0.03 0.00 2.01 -1.26 -1.06 115.64 111.78 1jdz s THR 199 Ca 0.12 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1jdz s THR 199 Cb -0.05 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.85 1jdz s THR 199 CO 0.07 -0.10 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.18 1jdz s VAL 200 N -0.48 0.39 0.08 3.82 1.01 -0.54 -1.77 120.40 122.91 1jdz s VAL 200 Ca -0.06 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1jdz s VAL 200 Cb -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1jdz s VAL 200 CO 0.03 0.17 -0.24 -0.76 0.00 0.00 0.00 175.10 174.30 1jdz s LEU 201 N 0.71 2.39 -0.23 3.92 1.43 0.53 -2.93 118.68 124.50 1jdz s LEU 201 Ca -0.08 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 1jdz s LEU 201 Cb -0.12 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 1jdz s LEU 201 CO -0.00 0.22 0.26 -0.69 0.23 0.00 0.00 176.35 176.37 1jdz s VAL 202 N -0.96 5.29 -0.37 -1.59 1.01 0.21 -0.97 120.40 123.02 1jdz s VAL 202 Ca 0.14 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1jdz s VAL 202 Cb -0.10 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1jdz s VAL 202 CO 0.05 0.30 1.40 -0.69 0.00 0.00 0.00 175.10 176.15 1jdz s VAL 203 N 1.23 3.95 -0.64 2.92 1.01 -0.39 -1.53 120.40 126.94 1jdz s VAL 203 Ca 0.12 1.00 0.17 0.00 0.00 0.00 0.00 61.98 63.28 1jdz s VAL 203 Cb -0.14 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 31.87 1jdz s VAL 203 CO 0.06 -0.66 0.65 -1.54 0.00 0.00 0.00 175.10 173.61 1jdz n SER 204 N 8.51 0.84 -3.58 3.32 3.41 -0.59 -0.66 113.62 124.86 1jdz n SER 204 Ca 0.16 -0.72 -0.11 0.00 -0.26 0.00 0.00 58.87 57.95 1jdz n SER 204 Cb 0.47 1.16 -0.04 0.00 -0.26 0.00 0.00 64.21 65.55 1jdz n SER 204 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jdz s ASP 205 N -2.88 -0.32 -0.21 4.04 3.68 -1.21 -4.96 116.67 114.80 1jdz s ASP 205 Ca 0.04 -0.20 -0.02 0.00 2.13 0.00 0.00 52.55 54.50 1jdz s ASP 205 Cb 0.12 0.50 0.06 0.00 -1.45 0.00 0.00 42.92 42.15 1jdz s ASP 205 CO 0.70 -0.86 0.01 0.21 0.13 0.00 0.00 175.17 175.36 1jdz s ASN 206 N -2.70 3.21 0.19 -0.34 3.84 -1.26 -0.75 114.94 117.14 1jdz s ASN 206 Ca 0.02 -0.94 0.25 0.00 0.21 0.00 0.00 52.86 52.39 1jdz s ASN 206 Cb 0.01 -0.77 0.90 0.00 -0.55 0.00 0.00 41.25 40.84 1jdz s ASN 206 CO -0.11 -0.29 1.74 0.18 -2.79 0.00 0.00 177.10 175.84 1jdz n LEU 207 N 4.93 0.62 0.04 3.21 4.77 -0.12 -4.91 117.00 125.55 1jdz n LEU 207 Ca -0.10 0.60 -0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1jdz n LEU 207 Cb 0.46 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1jdz n LEU 207 CO 0.14 -0.31 -0.20 0.00 -1.33 0.00 0.00 177.39 175.69 1jdz h ALA 208 N 2.47 0.65 0.00 -1.18 0.00 -1.81 -3.49 119.26 115.91 1jdz h ALA 208 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1jdz h ALA 208 Cb 0.54 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jdz h ALA 208 CO 0.00 0.90 0.00 -0.85 0.00 0.00 0.00 179.25 179.30 1jdz n GLU 217 N -2.94 0.00 0.17 0.00 0.28 -1.26 -4.82 120.64 112.07 1jdz n GLU 217 Ca -0.08 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.93 1jdz n GLU 217 Cb 0.83 0.00 0.32 0.00 1.43 0.00 0.00 31.44 34.03 1jdz n GLU 217 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1jdz h GLU 218 N 0.00 0.04 -0.08 3.44 5.08 -2.05 -2.50 114.58 118.51 1jdz h GLU 218 Ca 0.00 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1jdz h GLU 218 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1jdz h GLU 218 CO 0.00 0.43 -0.73 1.25 -1.00 0.00 0.00 179.01 178.96 1jdz h LEU 219 N 0.04 0.50 -0.35 1.33 6.46 -1.99 -2.19 115.31 119.12 1jdz h LEU 219 Ca 0.00 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 1jdz h LEU 219 Cb 0.71 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1jdz h LEU 219 CO 0.05 1.07 0.13 -0.33 -0.62 0.00 0.00 178.44 178.74 1jdz h GLU 220 N 0.29 0.52 -0.11 1.25 5.08 -1.92 -0.45 114.58 119.24 1jdz h GLU 220 Ca -0.03 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1jdz h GLU 220 Cb 1.30 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1jdz h GLU 220 CO 0.13 0.52 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.34 1jdz h LYS 221 N 0.41 -0.11 -0.47 2.33 1.63 -1.37 -0.47 116.57 118.52 1jdz h LYS 221 Ca 0.11 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.98 1jdz h LYS 221 Cb 0.20 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.80 1jdz h LYS 221 CO -0.01 -0.08 0.17 1.03 -3.45 0.00 0.00 179.45 177.12 1jdz h SER 222 N -0.12 0.19 -0.49 4.20 0.87 -1.02 0.12 113.55 117.30 1jdz h SER 222 Ca 0.08 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1jdz h SER 222 Cb 0.23 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1jdz h SER 222 CO -0.18 0.14 0.17 0.58 -0.53 0.00 0.00 176.83 177.00 1jdz h VAL 223 N 0.35 1.22 -0.46 2.23 2.07 -0.76 -2.00 116.25 118.90 1jdz h VAL 223 Ca 0.22 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1jdz h VAL 223 Cb 0.22 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1jdz h VAL 223 CO -0.22 0.27 0.20 0.24 0.02 0.00 0.00 177.57 178.07 1jdz h MET 224 N 0.65 0.68 -0.67 1.57 2.07 -0.59 -2.16 114.93 116.48 1jdz h MET 224 Ca 0.16 -0.12 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 1jdz h MET 224 Cb 0.25 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 29.83 1jdz h MET 224 CO -0.01 0.60 0.33 -0.44 1.07 0.00 0.00 176.91 178.47 1jdz h ASP 225 N 0.60 0.87 -0.32 1.22 3.32 -0.68 -2.89 116.42 118.54 1jdz h ASP 225 Ca 0.15 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1jdz h ASP 225 Cb 0.17 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1jdz h ASP 225 CO -0.01 0.75 -0.07 1.23 -1.72 0.00 0.00 179.24 179.41 1jdz h GLY 226 N 0.92 0.77 1.29 2.75 0.00 -1.24 -2.92 103.07 104.65 1jdz h GLY 226 Ca 0.23 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1jdz h GLY 226 CO -0.03 0.50 0.22 0.00 0.00 0.00 0.00 176.54 177.23 1jdz h ALA 227 N 1.27 1.24 -0.65 3.60 0.00 -1.20 -1.67 119.26 121.85 1jdz h ALA 227 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1jdz h ALA 227 Cb 0.51 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jdz h ALA 227 CO 0.03 0.55 0.14 0.87 0.00 0.00 0.00 179.25 180.84 1jdz h LYS 228 N 0.88 1.02 -0.39 0.00 1.57 -1.32 0.70 116.57 119.04 1jdz h LYS 228 Ca 0.21 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1jdz h LYS 228 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1jdz h LYS 228 CO -0.02 0.92 -0.05 0.00 -0.57 0.00 0.00 179.45 179.73 1jdz h ALA 229 N 1.18 0.53 -0.19 3.86 0.00 -1.38 -0.72 119.26 122.54 1jdz h ALA 229 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jdz h ALA 229 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jdz h ALA 229 CO 0.00 0.35 0.08 0.28 0.00 0.00 0.00 179.25 179.96 1jdz h VAL 230 N 0.53 1.16 -0.66 0.00 2.07 -1.03 -0.72 116.25 117.60 1jdz h VAL 230 Ca 0.10 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1jdz h VAL 230 Cb 0.55 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1jdz h VAL 230 CO 0.03 0.15 0.40 -0.07 0.02 0.00 0.00 177.57 178.10 1jdz h LEU 231 N 0.16 0.78 -0.55 2.57 3.38 -0.77 0.19 115.31 121.06 1jdz h LEU 231 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1jdz h LEU 231 Cb 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1jdz h LEU 231 CO -0.01 0.59 0.26 0.44 0.09 0.00 0.00 178.44 179.82 1jdz h ASP 232 N 0.90 0.72 0.07 -0.43 3.32 -0.75 -2.05 116.42 118.20 1jdz h ASP 232 Ca 0.24 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1jdz h ASP 232 Cb -0.05 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1jdz h ASP 232 CO -0.05 0.65 -0.03 0.74 -1.72 0.00 0.00 179.24 178.83 1jdz h THR 233 N 0.74 1.07 -0.17 0.35 2.02 0.17 -1.70 112.91 115.39 1jdz h THR 233 Ca 0.19 -0.46 0.05 0.00 0.77 0.00 0.00 66.41 66.96 1jdz h THR 233 Cb 0.12 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1jdz h THR 233 CO -0.02 0.11 0.19 -0.07 0.37 0.00 0.00 175.52 176.10 1jdz h LEU 234 N -0.30 0.00 -2.91 2.58 3.38 -0.56 -1.71 115.31 115.79 1jdz h LEU 234 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jdz h LEU 234 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1jdz h LEU 234 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1jdz n THR 235 N -3.80 1.14 1.71 0.22 -2.24 -0.78 -4.97 114.28 105.56 1jdz n THR 235 Ca 0.01 -1.08 0.15 0.00 -2.27 0.00 0.00 64.05 60.86 1jdz n THR 235 Cb 0.31 0.42 0.71 0.00 -2.10 0.00 0.00 70.33 69.67 1jdz n THR 235 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96