#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj s ALA 2 N 0.00 -0.32 0.09 0.62 0.00 -1.26 -5.07 121.76 115.82 2ddj s ALA 2 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2ddj s ALA 2 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2ddj s ALA 2 CO 0.00 -0.63 0.00 0.39 0.00 0.00 0.00 175.76 175.52 2ddj n GLU 3 N -0.19 0.00 -0.00 0.00 -0.58 -1.26 -4.70 120.64 113.91 2ddj n GLU 3 Ca -0.11 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.65 2ddj n GLU 3 Cb 0.63 -0.35 -0.03 0.00 -0.57 0.00 0.00 31.44 31.12 2ddj n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ddj n ALA 4 N -3.26 2.18 0.26 0.62 0.00 -1.26 -4.08 120.51 114.97 2ddj n ALA 4 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2ddj n ALA 4 Cb 0.00 -0.14 0.73 0.00 0.00 0.00 0.00 19.45 20.04 2ddj n ALA 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 5 N 0.00 0.00 -3.73 0.00 3.07 -1.99 -3.42 114.58 108.50 2ddj h GLU 5 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2ddj h GLU 5 Cb 0.18 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.94 2ddj h GLU 5 CO 0.00 0.11 -0.41 0.12 -1.40 0.00 0.00 179.01 177.43 2ddj s PHE 6 N -4.33 0.14 -0.40 4.33 5.36 -1.26 -5.11 117.98 116.71 2ddj s PHE 6 Ca -0.03 -0.48 -0.28 0.00 -0.96 0.00 0.00 56.93 55.18 2ddj s PHE 6 Cb 0.14 -0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.72 2ddj s PHE 6 CO 0.59 -0.48 1.87 0.99 -1.46 0.00 0.00 175.22 176.73 2ddj s THR 7 N -3.28 3.40 0.03 0.12 2.01 -1.26 -4.36 115.64 112.30 2ddj s THR 7 Ca 0.00 0.37 -0.39 0.00 0.31 0.00 0.00 61.69 61.99 2ddj s THR 7 Cb 0.02 -3.65 -0.19 0.00 0.01 0.00 0.00 72.50 68.70 2ddj s THR 7 CO -0.08 -0.48 1.20 -0.67 -0.69 0.00 0.00 174.62 173.90 2ddj n ASP 8 N 11.24 0.76 -0.33 3.53 2.03 -1.26 -4.69 116.55 127.83 2ddj n ASP 8 Ca 0.23 1.14 0.23 0.00 0.52 0.00 0.00 54.79 56.92 2ddj n ASP 8 Cb 0.48 -1.04 0.51 0.00 -0.72 0.00 0.00 41.12 40.35 2ddj n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ddj h ALA 9 N 3.75 2.24 -0.47 -1.67 0.00 -1.90 0.13 119.26 121.34 2ddj h ALA 9 Ca -0.49 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2ddj h ALA 9 Cb 1.39 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2ddj h ALA 9 CO 0.71 -0.67 0.31 0.00 0.00 0.00 0.00 179.25 179.61 2ddj n VAL 11 N -4.47 0.00 -4.11 0.00 0.31 0.40 -4.19 118.33 106.27 2ddj n VAL 11 Ca 0.05 -0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 63.90 2ddj n VAL 11 Cb 0.14 0.90 -0.07 0.00 -0.91 0.00 0.00 33.84 33.90 2ddj n VAL 11 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ddj s LEU 12 N -2.61 3.74 0.99 7.52 2.96 -0.74 -4.97 118.68 125.57 2ddj s LEU 12 Ca 0.18 0.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.96 2ddj s LEU 12 Cb 0.18 -2.32 0.19 0.00 0.50 0.00 0.00 46.19 44.74 2ddj s LEU 12 CO 0.62 0.22 1.14 -2.16 -1.32 0.00 0.00 176.35 174.85 2ddj s PRO 13 N -2.06 0.46 0.59 0.98 0.04 -1.26 -4.86 135.00 128.88 2ddj s PRO 13 Ca 0.26 0.18 -0.18 0.00 0.04 0.00 0.00 61.00 61.29 2ddj s PRO 13 Cb -0.12 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2ddj s PRO 13 CO 0.17 -2.63 1.12 0.00 0.04 0.00 0.00 177.00 175.70 2ddj s ALA 14 N -3.23 2.61 -0.08 8.56 0.00 -1.26 -4.69 121.76 123.67 2ddj s ALA 14 Ca 0.67 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.37 2ddj s ALA 14 Cb -0.13 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.66 2ddj s ALA 14 CO 0.55 -0.96 -0.11 0.08 0.00 0.00 0.00 175.76 175.32 2ddj s VAL 15 N -1.96 1.12 -0.06 0.00 1.01 -1.26 -5.02 120.40 114.22 2ddj s VAL 15 Ca 0.71 -0.43 0.13 0.00 0.00 0.00 0.00 61.98 62.39 2ddj s VAL 15 Cb -0.23 -1.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.99 2ddj s VAL 15 CO 0.32 0.36 1.07 1.56 0.00 0.00 0.00 175.10 178.41 2ddj h GLN 16 N 7.29 0.00 0.00 2.72 4.20 -1.88 -3.44 115.11 124.00 2ddj h GLN 16 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2ddj h GLN 16 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2ddj h GLN 16 CO 0.46 0.55 0.00 0.41 -0.67 0.00 0.00 178.83 179.58 2ddj n GLY 17 N 1.37 -1.02 0.00 3.46 0.00 -1.24 -0.66 105.19 107.10 2ddj n GLY 17 Ca -0.05 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.44 2ddj n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ddj n PRO 18 N -1.19 0.45 -1.06 1.61 -0.04 -1.26 -4.85 135.00 128.65 2ddj n PRO 18 Ca 0.00 0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 2ddj n PRO 18 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 2ddj n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddj n ARG 20 N -3.75 0.23 -2.73 0.00 1.74 -1.26 -4.97 116.66 105.92 2ddj n ARG 20 Ca 0.12 -0.48 -0.31 0.00 -0.77 0.00 0.00 57.85 56.42 2ddj n ARG 20 Cb 0.45 -0.70 -0.04 0.00 -1.02 0.00 0.00 32.46 31.16 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ddj s GLY 21 N -0.16 2.03 -0.23 -0.13 0.00 -1.26 -5.07 107.32 102.51 2ddj s GLY 21 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.69 2ddj s GLY 21 CO 0.00 0.19 -0.05 -0.98 0.00 0.00 0.00 173.10 172.26 2ddj s TRP 22 N -2.41 2.25 -0.20 1.90 0.23 -1.26 -4.12 118.94 115.33 2ddj s TRP 22 Ca 0.54 -1.66 -0.00 0.00 -2.03 0.00 0.00 56.10 52.96 2ddj s TRP 22 Cb -0.10 -1.52 0.02 0.00 0.03 0.00 0.00 33.47 31.90 2ddj s TRP 22 CO 0.29 -0.76 -0.15 -2.00 0.96 0.00 0.00 176.95 175.30 2ddj s GLU 23 N 1.44 2.99 0.21 4.98 2.56 0.35 -4.96 118.70 126.27 2ddj s GLU 23 Ca -0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 54.97 53.77 2ddj s GLU 23 Cb -0.19 -2.73 -0.09 0.00 2.00 0.00 0.00 34.13 33.13 2ddj s GLU 23 CO -0.06 -0.26 1.29 -1.25 -0.56 0.00 0.00 175.26 174.42 2ddj s PRO 24 N 1.32 4.41 0.36 4.30 0.04 -1.26 -0.64 135.00 143.52 2ddj s PRO 24 Ca 0.04 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2ddj s PRO 24 Cb -0.14 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2ddj s PRO 24 CO -0.10 -0.21 0.25 1.03 0.04 0.00 0.00 177.00 178.01 2ddj s ARG 25 N -0.26 1.84 0.07 4.56 1.81 -0.49 -4.90 118.95 121.58 2ddj s ARG 25 Ca 0.55 -2.09 0.10 0.00 -1.72 0.00 0.00 55.73 52.57 2ddj s ARG 25 Cb -0.36 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.19 2ddj s ARG 25 CO 0.39 -0.63 -0.26 -1.58 -0.68 0.00 0.00 175.30 172.54 2ddj s TRP 26 N -3.35 2.30 0.01 -0.53 0.52 -0.62 -0.26 118.94 117.00 2ddj s TRP 26 Ca 0.36 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 56.06 2ddj s TRP 26 Cb 0.02 -1.34 -0.01 0.00 -1.15 0.00 0.00 33.47 30.99 2ddj s TRP 26 CO 0.25 0.18 0.01 0.00 0.02 0.00 0.00 176.95 177.40 2ddj s ALA 27 N -0.87 0.02 0.27 0.98 0.00 -0.56 -0.22 121.76 121.36 2ddj s ALA 27 Ca 0.12 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 2ddj s ALA 27 Cb -0.10 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 2ddj s ALA 27 CO 0.03 -0.12 0.97 -0.47 0.00 0.00 0.00 175.76 176.17 2ddj s TYR 28 N -1.00 3.86 -0.25 0.00 5.04 -1.26 -1.34 117.35 122.38 2ddj s TYR 28 Ca -0.11 1.86 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 2ddj s TYR 28 Cb -0.07 -3.02 0.04 0.00 0.35 0.00 0.00 41.96 39.26 2ddj s TYR 28 CO -0.00 0.24 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.24 2ddj s SER 29 N -1.22 4.31 0.30 4.32 0.01 0.53 -4.67 113.70 117.28 2ddj s SER 29 Ca 0.44 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.68 2ddj s SER 29 Cb -0.25 -1.62 0.49 0.00 0.21 0.00 0.00 66.02 64.85 2ddj s SER 29 CO 0.32 -0.16 1.73 1.55 0.41 0.00 0.00 173.24 177.09 2ddj h PRO 30 N 7.93 0.29 0.00 12.44 0.13 -1.81 0.90 132.00 151.88 2ddj h PRO 30 Ca -0.28 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ddj h PRO 30 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddj h PRO 30 CO 0.54 0.60 0.00 -0.07 -0.23 0.00 0.00 178.00 178.84 2ddj h LEU 31 N 0.25 0.00 -0.77 1.56 3.38 -1.93 -1.35 115.31 116.46 2ddj h LEU 31 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ddj h LEU 31 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ddj h LEU 31 CO 0.06 0.00 -0.12 0.18 0.09 0.00 0.00 178.44 178.64 2ddj n LEU 32 N -2.31 1.08 -2.55 1.67 4.77 -0.85 -5.00 117.00 113.81 2ddj n LEU 32 Ca 0.01 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.08 2ddj n LEU 32 Cb 0.15 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2ddj n LEU 32 CO 0.16 0.23 -0.11 1.67 -1.33 0.00 0.00 177.39 178.01 2ddj n GLN 33 N -0.22 -2.52 -3.81 3.23 7.27 0.23 -4.87 117.38 116.69 2ddj n GLN 33 Ca 0.03 0.43 -0.05 0.00 0.07 0.00 0.00 57.00 57.48 2ddj n GLN 33 Cb 0.15 -5.02 -0.01 0.00 2.41 0.00 0.00 30.24 27.77 2ddj n GLN 33 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ddj s GLN 34 N -5.13 1.51 0.27 3.69 2.00 -0.69 -4.54 119.66 116.77 2ddj s GLN 34 Ca 0.04 -0.86 0.01 0.00 -2.00 0.00 0.00 55.36 52.56 2ddj s GLN 34 Cb -0.02 0.50 -0.04 0.00 0.80 0.00 0.00 33.01 34.25 2ddj s GLN 34 CO 0.05 -0.69 0.45 0.00 -0.50 0.00 0.00 175.29 174.59 2ddj s HIS 36 N -2.08 -0.24 0.92 0.00 -3.43 -0.45 -4.91 115.29 105.10 2ddj s HIS 36 Ca 0.38 0.23 -0.10 0.00 -0.80 0.00 0.00 55.06 54.77 2ddj s HIS 36 Cb -0.10 0.19 0.15 0.00 -1.43 0.00 0.00 32.58 31.39 2ddj s HIS 36 CO 0.32 -0.53 1.12 -2.14 -2.00 0.00 0.00 174.74 171.51 2ddj s PRO 37 N -2.23 0.96 0.24 -0.38 0.02 -1.26 -1.50 135.00 130.85 2ddj s PRO 37 Ca -0.07 1.40 -0.20 0.00 0.02 0.00 0.00 61.00 62.15 2ddj s PRO 37 Cb -0.02 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 32.80 2ddj s PRO 37 CO -0.01 -2.62 0.63 -0.59 -0.33 0.00 0.00 177.00 174.09 2ddj s PHE 38 N -2.67 -0.18 -0.36 6.54 -0.71 0.64 -4.78 117.98 116.45 2ddj s PHE 38 Ca 0.66 -0.20 -0.19 0.00 -1.04 0.00 0.00 56.93 56.17 2ddj s PHE 38 Cb -0.22 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 2ddj s PHE 38 CO 0.58 -1.08 0.53 0.08 -1.34 0.00 0.00 175.22 174.00 2ddj s VAL 39 N -3.89 4.99 0.52 -2.49 1.01 -1.26 -1.39 120.40 117.89 2ddj s VAL 39 Ca 0.10 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.46 2ddj s VAL 39 Cb -0.03 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2ddj s VAL 39 CO 0.01 -0.27 0.45 -0.47 0.00 0.00 0.00 175.10 174.82 2ddj s TYR 40 N 2.45 1.79 0.00 5.22 5.04 0.19 -4.63 117.35 127.41 2ddj s TYR 40 Ca 0.19 -0.76 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 2ddj s TYR 40 Cb -0.15 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.16 2ddj s TYR 40 CO 0.14 -0.50 0.70 0.41 -1.34 0.00 0.00 175.55 174.96 2ddj n GLY 41 N -1.78 0.40 3.20 8.97 0.00 0.17 -0.50 105.19 115.65 2ddj n GLY 41 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ddj n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddj n GLY 42 N -0.24 2.66 1.29 -0.02 0.00 -1.26 -4.63 105.19 102.98 2ddj n GLY 42 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ddj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddj n GLU 44 N -1.93 0.00 -3.89 0.00 4.71 -1.26 -4.80 120.64 113.47 2ddj n GLU 44 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.12 2ddj n GLU 44 Cb 0.19 -0.92 -0.04 0.00 -1.01 0.00 0.00 31.44 29.66 2ddj n GLU 44 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ddj s GLY 45 N -0.29 0.20 0.48 0.62 0.00 -1.26 -3.62 107.32 103.45 2ddj s GLY 45 Ca 0.57 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2ddj s GLY 45 CO 0.40 -0.40 0.65 0.70 0.00 0.00 0.00 173.10 174.46 2ddj n ASN 46 N -0.38 1.02 0.17 1.64 4.13 -1.26 -5.00 115.26 115.58 2ddj n ASN 46 Ca -0.05 -1.83 0.13 0.00 1.68 0.00 0.00 54.58 54.52 2ddj n ASN 46 Cb 0.61 -0.41 0.58 0.00 -1.54 0.00 0.00 39.78 39.02 2ddj n ASN 46 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2ddj h GLY 47 N -0.31 0.00 -6.17 7.41 0.00 -1.95 -3.28 103.07 98.78 2ddj h GLY 47 Ca -0.22 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.38 2ddj h GLY 47 CO 0.25 0.00 2.51 -2.01 0.00 0.00 0.00 176.54 177.28 2ddj n ASN 48 N -2.45 5.07 -3.49 0.19 5.15 -1.26 -4.76 115.26 113.72 2ddj n ASN 48 Ca 0.01 -3.00 -0.12 0.00 -0.60 0.00 0.00 54.58 50.87 2ddj n ASN 48 Cb 0.21 -1.53 -0.10 0.00 -0.53 0.00 0.00 39.78 37.83 2ddj n ASN 48 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ddj s ASN 49 N 1.64 0.44 0.36 1.20 3.84 -1.24 -4.20 114.94 116.98 2ddj s ASN 49 Ca 0.44 0.31 0.09 0.00 0.21 0.00 0.00 52.86 53.92 2ddj s ASN 49 Cb 0.12 0.91 -0.07 0.00 -0.55 0.00 0.00 41.25 41.66 2ddj s ASN 49 CO -0.04 -0.28 -0.06 -0.36 -2.79 0.00 0.00 177.10 173.57 2ddj s PHE 50 N 2.48 2.44 -0.16 0.43 0.08 0.69 -4.95 117.98 119.00 2ddj s PHE 50 Ca 0.07 -0.54 0.21 0.00 0.12 0.00 0.00 56.93 56.78 2ddj s PHE 50 Cb -0.14 -1.50 -0.12 0.00 -0.57 0.00 0.00 43.02 40.69 2ddj s PHE 50 CO -0.13 0.54 0.82 0.72 -0.10 0.00 0.00 175.22 177.07 2ddj n HIS 51 N -0.85 0.71 -3.74 0.36 8.25 -1.26 -1.59 115.22 117.10 2ddj n HIS 51 Ca -0.05 0.22 -0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2ddj n HIS 51 Cb 0.64 -0.89 0.01 0.00 1.12 0.00 0.00 29.99 30.87 2ddj n HIS 51 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ddj n SER 52 N -2.64 -0.71 -0.12 0.41 3.41 -1.26 -4.78 113.62 107.93 2ddj n SER 52 Ca -0.05 -1.31 -0.06 0.00 -0.26 0.00 0.00 58.87 57.19 2ddj n SER 52 Cb 0.65 1.14 0.02 0.00 -0.26 0.00 0.00 64.21 65.76 2ddj n SER 52 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2ddj h ARG 53 N 0.00 0.37 -0.23 4.33 9.65 -1.98 -3.07 114.38 123.45 2ddj h ARG 53 Ca -0.12 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2ddj h ARG 53 Cb 0.55 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 2ddj h ARG 53 CO 0.16 0.24 -0.13 -1.91 2.80 0.00 0.00 179.97 181.13 2ddj n GLU 54 N -4.94 -0.10 0.06 0.20 2.13 -1.26 -0.03 120.64 116.70 2ddj n GLU 54 Ca 0.02 0.93 -0.01 0.00 0.66 0.00 0.00 57.16 58.75 2ddj n GLU 54 Cb 0.11 -1.38 0.26 0.00 0.27 0.00 0.00 31.44 30.70 2ddj n GLU 54 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2ddj h SER 55 N 0.00 0.35 -0.11 4.31 4.64 -1.96 -0.46 113.55 120.32 2ddj h SER 55 Ca 0.04 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2ddj h SER 55 Cb 0.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ddj h SER 55 CO -0.21 0.60 -0.07 0.00 -0.87 0.00 0.00 176.83 176.28 2ddj h GLU 57 N -0.12 0.43 -0.78 0.00 5.08 -0.16 -0.40 114.58 118.64 2ddj h GLU 57 Ca 0.02 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ddj h GLU 57 Cb 0.55 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2ddj h GLU 57 CO 0.02 0.59 0.48 0.22 -1.00 0.00 0.00 179.01 179.32 2ddj h ASP 58 N 0.39 0.92 0.50 1.42 3.58 -1.01 -2.98 116.42 119.23 2ddj h ASP 58 Ca 0.07 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2ddj h ASP 58 Cb 0.53 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2ddj h ASP 58 CO 0.03 0.69 -0.24 0.00 -2.88 0.00 0.00 179.24 176.85 2ddj h ALA 59 N 1.47 -0.85 -2.82 -0.78 0.00 -0.19 -3.46 119.26 112.63 2ddj h ALA 59 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2ddj h ALA 59 Cb -0.07 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 2ddj h ALA 59 CO -0.06 -0.80 0.04 0.00 0.00 0.00 0.00 179.25 178.43 2ddj s PRO 61 N -3.65 3.58 0.43 0.00 0.04 -1.25 -3.77 135.00 130.39 2ddj s PRO 61 Ca 0.01 0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.35 2ddj s PRO 61 Cb 0.01 -3.93 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 2ddj s PRO 61 CO -0.11 -1.29 0.08 0.28 0.04 0.00 0.00 177.00 176.00 2ddj n VAL 62 N 6.56 0.00 -1.73 -0.36 0.31 -1.26 -5.00 118.33 116.85 2ddj n VAL 62 Ca 0.08 -2.31 -0.39 0.00 -0.01 0.00 0.00 64.34 61.72 2ddj n VAL 62 Cb 0.49 0.68 0.04 0.00 -0.91 0.00 0.00 33.84 34.13 2ddj n VAL 62 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ddj n VAL 63 N -1.02 3.67 -1.55 2.52 0.31 -1.26 -4.86 118.33 116.13 2ddj n VAL 63 Ca -0.12 -0.50 -0.50 0.00 -0.01 0.00 0.00 64.34 63.21 2ddj n VAL 63 Cb 0.60 -1.61 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 2ddj n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ddj n ASP 64 N -0.83 2.64 0.00 4.52 2.03 -1.26 -4.91 116.55 118.73 2ddj n ASP 64 Ca 0.10 0.59 0.00 0.00 0.52 0.00 0.00 54.79 56.01 2ddj n ASP 64 Cb 0.44 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 2ddj n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2ddj n HIS 65 N 8.83 0.00 -0.78 -0.67 8.25 -1.26 -3.38 115.22 126.22 2ddj n HIS 65 Ca 0.34 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.41 2ddj n HIS 65 Cb 0.26 -0.21 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 2ddj n HIS 65 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddj n HIS 66 N -1.30 0.99 -1.52 4.41 -0.00 -1.26 -4.84 115.22 111.70 2ddj n HIS 66 Ca 0.00 -1.24 -0.21 0.00 -0.00 0.00 0.00 57.72 56.28 2ddj n HIS 66 Cb 0.00 -1.26 -0.18 0.00 -0.00 0.00 0.00 29.99 28.55 2ddj n HIS 66 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ddj n HIS 67 N 7.50 0.37 -1.78 -1.40 -0.00 -1.22 -4.84 115.22 113.85 2ddj n HIS 67 Ca 0.44 0.01 -0.25 0.00 0.46 0.00 0.00 57.72 58.38 2ddj n HIS 67 Cb 0.35 -1.20 -0.05 0.00 -0.12 0.00 0.00 29.99 28.97 2ddj n HIS 67 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2ddj s HIS 68 N 4.66 1.40 -0.66 1.57 5.04 -1.26 -4.74 115.29 121.30 2ddj s HIS 68 Ca 1.21 1.34 -0.08 0.00 -1.54 0.00 0.00 55.06 55.99 2ddj s HIS 68 Cb -0.66 -3.74 -0.22 0.00 0.04 0.00 0.00 32.58 28.01 2ddj s HIS 68 CO 0.43 -1.92 1.46 1.58 -2.34 0.00 0.00 174.74 173.95 2ddj n HIS 69 N 15.90 0.04 -1.41 3.88 -0.00 -1.26 -5.14 115.22 127.24 2ddj n HIS 69 Ca 0.39 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.60 2ddj n HIS 69 Cb 0.48 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38