#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj n ALA 2 N 0.00 2.13 0.26 0.62 0.00 -1.26 -4.93 120.51 117.33 2ddj n ALA 2 Ca 0.00 -1.26 0.12 0.00 0.00 0.00 0.00 53.44 52.30 2ddj n ALA 2 Cb 0.00 -0.52 0.71 0.00 0.00 0.00 0.00 19.45 19.64 2ddj n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 3 N 0.24 0.00 0.00 0.00 3.07 -1.99 -0.04 114.58 115.86 2ddj h GLU 3 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2ddj h GLU 3 Cb 1.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 2ddj h GLU 3 CO 0.02 0.12 0.00 0.00 -1.40 0.00 0.00 179.01 177.74 2ddj h ALA 4 N 1.88 1.00 0.00 3.43 0.00 -2.04 -3.15 119.26 120.39 2ddj h ALA 4 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ddj h ALA 4 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ddj h ALA 4 CO 0.02 0.00 -0.69 0.39 0.00 0.00 0.00 179.25 178.96 2ddj n GLU 5 N -2.52 0.37 -3.62 0.00 -0.58 -0.11 -5.08 120.64 109.09 2ddj n GLU 5 Ca -0.00 0.15 -0.09 0.00 -0.42 0.00 0.00 57.16 56.79 2ddj n GLU 5 Cb 0.14 -1.14 -0.07 0.00 -0.57 0.00 0.00 31.44 29.80 2ddj n GLU 5 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2ddj s PHE 6 N -2.35 -0.43 -0.92 -0.32 5.36 -0.70 -4.94 117.98 113.68 2ddj s PHE 6 Ca -0.20 0.98 -0.24 0.00 -0.96 0.00 0.00 56.93 56.51 2ddj s PHE 6 Cb 0.03 0.39 0.05 0.00 -0.34 0.00 0.00 43.02 43.15 2ddj s PHE 6 CO 0.30 -0.25 1.37 0.99 -1.46 0.00 0.00 175.22 176.17 2ddj s THR 7 N -0.11 3.92 0.20 0.12 2.01 -1.26 -4.08 115.64 116.43 2ddj s THR 7 Ca 0.02 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.59 2ddj s THR 7 Cb -0.04 -4.99 -0.04 0.00 0.01 0.00 0.00 72.50 67.44 2ddj s THR 7 CO -0.05 -1.88 0.35 -0.62 -0.69 0.00 0.00 174.62 171.73 2ddj s ASP 8 N 4.51 6.35 0.34 3.53 -1.08 -1.26 -4.99 116.67 124.06 2ddj s ASP 8 Ca 0.41 0.25 0.01 0.00 -0.52 0.00 0.00 52.55 52.70 2ddj s ASP 8 Cb -0.03 -1.94 0.59 0.00 -1.46 0.00 0.00 42.92 40.07 2ddj s ASP 8 CO -0.02 -0.02 2.00 0.00 0.52 0.00 0.00 175.17 177.64 2ddj h ALA 9 N 1.83 1.51 -0.00 3.66 0.00 -1.91 -0.92 119.26 123.43 2ddj h ALA 9 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ddj h ALA 9 Cb 1.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2ddj h ALA 9 CO 0.67 0.45 0.00 0.00 0.00 0.00 0.00 179.25 180.37 2ddj n VAL 11 N -3.94 0.02 -4.09 0.00 0.31 -0.40 -4.16 118.33 106.06 2ddj n VAL 11 Ca -0.03 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 63.93 2ddj n VAL 11 Cb 0.08 0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 33.59 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 -3.20 3.76 1.01 7.52 2.96 -0.71 -4.63 118.68 125.39 2ddj s LEU 12 Ca 0.07 0.01 -0.13 0.00 -0.22 0.00 0.00 54.13 53.86 2ddj s LEU 12 Cb 0.16 -2.36 0.19 0.00 0.50 0.00 0.00 46.19 44.68 2ddj s LEU 12 CO 0.82 0.21 1.10 -2.16 -1.32 0.00 0.00 176.35 175.00 2ddj s PRO 13 N -2.15 0.33 0.49 0.98 0.04 -1.26 -4.86 135.00 128.57 2ddj s PRO 13 Ca 0.27 0.40 -0.22 0.00 0.04 0.00 0.00 61.00 61.49 2ddj s PRO 13 Cb -0.12 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 2ddj s PRO 13 CO 0.19 -2.77 1.17 0.00 0.04 0.00 0.00 177.00 175.62 2ddj s ALA 14 N -3.03 2.88 -0.06 8.56 0.00 -1.26 -4.71 121.76 124.15 2ddj s ALA 14 Ca 0.66 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.57 2ddj s ALA 14 Cb -0.17 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2ddj s ALA 14 CO 0.57 -0.73 -0.12 0.08 0.00 0.00 0.00 175.76 175.55 2ddj s VAL 15 N -1.59 1.10 0.01 0.00 1.01 -1.26 -5.03 120.40 114.63 2ddj s VAL 15 Ca 0.67 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 2ddj s VAL 15 Cb -0.28 -1.00 -0.26 0.00 0.00 0.00 0.00 36.38 34.84 2ddj s VAL 15 CO 0.33 0.34 0.87 1.56 0.00 0.00 0.00 175.10 178.21 2ddj h GLN 16 N 6.80 0.19 0.00 2.72 4.20 -1.91 -3.43 115.11 123.69 2ddj h GLN 16 Ca -0.32 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.06 2ddj h GLN 16 Cb 1.18 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2ddj h GLN 16 CO 0.48 1.03 0.00 0.41 -0.67 0.00 0.00 178.83 180.08 2ddj n GLY 17 N 1.63 0.16 0.00 3.46 0.00 -1.25 -0.36 105.19 108.82 2ddj n GLY 17 Ca -0.15 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.28 0.12 -1.76 1.61 -0.04 -1.26 -4.85 135.00 129.10 2ddj n PRO 18 Ca 0.00 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 2ddj n PRO 18 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 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 -4.07 0.22 -2.17 0.00 1.74 -1.26 -4.90 116.66 106.22 2ddj n ARG 20 Ca 0.16 -0.48 -0.30 0.00 -0.77 0.00 0.00 57.85 56.47 2ddj n ARG 20 Cb 0.59 -0.71 0.01 0.00 -1.02 0.00 0.00 32.46 31.33 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 1.60 -0.10 -0.13 0.00 -1.26 -5.08 107.32 102.18 2ddj s GLY 21 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 2ddj s GLY 21 CO 0.00 -0.03 -0.03 -0.98 0.00 0.00 0.00 173.10 172.05 2ddj s TRP 22 N -3.01 1.11 -0.13 1.90 0.23 -1.26 -4.19 118.94 113.58 2ddj s TRP 22 Ca 0.52 -0.52 -0.00 0.00 -2.03 0.00 0.00 56.10 54.07 2ddj s TRP 22 Cb -0.11 -1.03 0.02 0.00 0.03 0.00 0.00 33.47 32.38 2ddj s TRP 22 CO 0.50 -0.45 -0.11 -2.00 0.96 0.00 0.00 176.95 175.85 2ddj s GLU 23 N 1.83 1.96 0.24 4.98 2.56 0.16 -4.98 118.70 125.45 2ddj s GLU 23 Ca 0.04 -0.43 -0.30 0.00 0.00 0.00 0.00 54.97 54.29 2ddj s GLU 23 Cb -0.13 -1.88 -0.10 0.00 2.00 0.00 0.00 34.13 34.02 2ddj s GLU 23 CO -0.07 -0.25 1.35 -1.25 -0.56 0.00 0.00 175.26 174.48 2ddj s PRO 24 N 1.58 4.34 0.34 4.30 0.04 -1.26 -0.64 135.00 143.71 2ddj s PRO 24 Ca 0.05 2.17 0.06 0.00 0.04 0.00 0.00 61.00 63.32 2ddj s PRO 24 Cb -0.13 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2ddj s PRO 24 CO -0.10 -0.30 0.25 1.03 0.04 0.00 0.00 177.00 177.92 2ddj s ARG 25 N -0.51 1.78 0.03 4.56 1.81 -0.41 -4.88 118.95 121.34 2ddj s ARG 25 Ca 0.56 -2.05 0.08 0.00 -1.72 0.00 0.00 55.73 52.61 2ddj s ARG 25 Cb -0.39 0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 2ddj s ARG 25 CO 0.43 -0.62 -0.25 -1.58 -0.68 0.00 0.00 175.30 172.60 2ddj s TRP 26 N -3.41 2.19 0.01 -0.53 0.52 -0.47 -0.30 118.94 116.95 2ddj s TRP 26 Ca 0.37 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 56.08 2ddj s TRP 26 Cb 0.02 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 31.00 2ddj s TRP 26 CO 0.25 0.08 -0.01 0.00 0.02 0.00 0.00 176.95 177.29 2ddj s ALA 27 N -0.75 0.07 0.24 0.98 0.00 -0.44 -0.23 121.76 121.62 2ddj s ALA 27 Ca 0.10 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2ddj s ALA 27 Cb -0.10 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2ddj s ALA 27 CO 0.01 -0.12 0.93 -0.47 0.00 0.00 0.00 175.76 176.11 2ddj s TYR 28 N -1.03 3.97 -0.25 0.00 5.04 -1.26 -1.38 117.35 122.44 2ddj s TYR 28 Ca -0.11 1.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 2ddj s TYR 28 Cb -0.07 -2.96 0.04 0.00 0.35 0.00 0.00 41.96 39.32 2ddj s TYR 28 CO -0.01 0.46 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.46 2ddj s SER 29 N -1.19 4.29 0.31 4.32 0.01 0.47 -4.63 113.70 117.28 2ddj s SER 29 Ca 0.41 -1.06 0.07 0.00 1.31 0.00 0.00 55.95 56.68 2ddj s SER 29 Cb -0.26 -1.61 0.50 0.00 0.21 0.00 0.00 66.02 64.86 2ddj s SER 29 CO 0.31 -0.15 1.73 1.55 0.41 0.00 0.00 173.24 177.09 2ddj h PRO 30 N 7.93 0.24 0.00 12.44 0.13 -1.82 0.14 132.00 151.07 2ddj h PRO 30 Ca -0.29 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2ddj h PRO 30 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddj h PRO 30 CO 0.54 0.58 0.00 -0.07 -0.23 0.00 0.00 178.00 178.83 2ddj h LEU 31 N 0.21 0.00 -0.81 1.56 4.07 -1.93 -0.82 115.31 117.58 2ddj h LEU 31 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2ddj h LEU 31 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2ddj h LEU 31 CO 0.06 0.00 -0.15 0.18 -1.08 0.00 0.00 178.44 177.45 2ddj n LEU 32 N -2.55 1.21 -1.79 1.67 4.77 -0.82 -5.00 117.00 114.49 2ddj n LEU 32 Ca -0.00 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 55.07 2ddj n LEU 32 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2ddj n LEU 32 CO 0.17 0.25 -0.12 1.67 -1.33 0.00 0.00 177.39 178.03 2ddj n GLN 33 N -0.16 -1.69 -3.83 3.23 7.27 0.40 -4.86 117.38 117.73 2ddj n GLN 33 Ca 0.04 0.59 -0.07 0.00 0.07 0.00 0.00 57.00 57.62 2ddj n GLN 33 Cb 0.19 -4.95 -0.00 0.00 2.41 0.00 0.00 30.24 27.89 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 -3.80 1.94 0.17 3.69 2.00 -0.62 -4.55 119.66 118.51 2ddj s GLN 34 Ca 0.00 -1.16 -0.01 0.00 -2.00 0.00 0.00 55.36 52.19 2ddj s GLN 34 Cb 0.00 0.60 -0.04 0.00 0.80 0.00 0.00 33.01 34.37 2ddj s GLN 34 CO 0.00 -0.90 0.36 0.00 -0.50 0.00 0.00 175.29 174.25 2ddj s HIS 36 N -1.79 0.15 0.88 0.00 -3.43 -0.48 -4.93 115.29 105.67 2ddj s HIS 36 Ca 0.38 -0.46 -0.11 0.00 -0.80 0.00 0.00 55.06 54.07 2ddj s HIS 36 Cb -0.11 -0.09 0.12 0.00 -1.43 0.00 0.00 32.58 31.06 2ddj s HIS 36 CO 0.28 -0.43 1.09 -1.25 -2.00 0.00 0.00 174.74 172.43 2ddj s PRO 37 N -2.94 1.41 0.23 -0.38 0.04 -1.26 -1.33 135.00 130.77 2ddj s PRO 37 Ca -0.02 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 61.65 2ddj s PRO 37 Cb 0.01 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.76 2ddj s PRO 37 CO -0.06 -2.14 0.66 -0.59 0.04 0.00 0.00 177.00 174.91 2ddj s PHE 38 N -2.95 -0.32 -0.37 0.56 -0.71 0.59 -4.79 117.98 109.99 2ddj s PHE 38 Ca 0.63 -0.03 -0.21 0.00 -1.04 0.00 0.00 56.93 56.27 2ddj s PHE 38 Cb -0.18 0.63 0.01 0.00 -1.21 0.00 0.00 43.02 42.27 2ddj s PHE 38 CO 0.57 -1.06 0.69 0.08 -1.34 0.00 0.00 175.22 174.16 2ddj s VAL 39 N -3.85 4.82 0.35 -2.49 1.01 -1.26 -1.28 120.40 117.69 2ddj s VAL 39 Ca 0.07 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.75 2ddj s VAL 39 Cb -0.04 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2ddj s VAL 39 CO -0.02 -0.40 0.46 -0.47 0.00 0.00 0.00 175.10 174.67 2ddj s TYR 40 N 2.88 3.04 -1.80 5.22 5.04 0.19 -4.69 117.35 127.23 2ddj s TYR 40 Ca 0.27 -0.26 0.16 0.00 -2.44 0.00 0.00 57.07 54.80 2ddj s TYR 40 Cb -0.14 -2.03 0.21 0.00 0.35 0.00 0.00 41.96 40.35 2ddj s TYR 40 CO 0.16 -0.05 1.10 0.41 -1.34 0.00 0.00 175.55 175.84 2ddj n GLY 41 N -1.64 0.83 3.23 8.97 0.00 0.51 -0.66 105.19 116.43 2ddj n GLY 41 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.90 1.27 1.05 -0.02 0.00 -1.26 -4.28 105.19 102.85 2ddj n GLY 42 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.40 0.00 -3.83 0.00 4.71 -1.26 -4.78 120.64 115.08 2ddj n GLU 44 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.03 2ddj n GLU 44 Cb 0.18 -0.89 -0.01 0.00 -1.01 0.00 0.00 31.44 29.71 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 -0.24 -0.06 0.54 0.62 0.00 -1.26 -3.83 107.32 103.09 2ddj s GLY 45 Ca 0.55 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 45.03 2ddj s GLY 45 CO 0.38 0.01 0.74 0.70 0.00 0.00 0.00 173.10 174.94 2ddj n ASN 46 N -0.62 1.15 0.13 1.64 4.13 -1.26 -5.01 115.26 115.42 2ddj n ASN 46 Ca -0.05 -1.93 0.12 0.00 1.68 0.00 0.00 54.58 54.40 2ddj n ASN 46 Cb 0.60 -0.47 0.47 0.00 -1.54 0.00 0.00 39.78 38.84 2ddj n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ddj n GLY 47 N -0.83 -1.42 2.81 7.41 0.00 -1.26 -3.92 105.19 107.99 2ddj n GLY 47 Ca 0.13 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2ddj n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ddj n ASN 48 N -2.28 4.39 -3.47 1.61 5.15 -1.26 -4.76 115.26 114.64 2ddj n ASN 48 Ca 0.03 -2.95 -0.11 0.00 -0.60 0.00 0.00 54.58 50.95 2ddj n ASN 48 Cb 0.29 -1.59 -0.10 0.00 -0.53 0.00 0.00 39.78 37.86 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 2.29 0.37 0.28 1.20 3.84 -1.25 -4.29 114.94 117.38 2ddj s ASN 49 Ca 0.44 0.33 0.11 0.00 0.21 0.00 0.00 52.86 53.95 2ddj s ASN 49 Cb 0.12 0.97 -0.05 0.00 -0.55 0.00 0.00 41.25 41.74 2ddj s ASN 49 CO -0.05 -0.28 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.46 2ddj s PHE 50 N 2.50 2.22 -0.33 0.43 0.08 0.68 -4.94 117.98 118.61 2ddj s PHE 50 Ca 0.08 -0.42 0.23 0.00 0.12 0.00 0.00 56.93 56.93 2ddj s PHE 50 Cb -0.14 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 2ddj s PHE 50 CO -0.14 0.62 0.95 0.72 -0.10 0.00 0.00 175.22 177.27 2ddj n HIS 51 N -0.62 0.55 -3.81 0.36 8.25 -1.26 -1.37 115.22 117.31 2ddj n HIS 51 Ca -0.05 0.16 -0.05 0.00 -0.26 0.00 0.00 57.72 57.52 2ddj n HIS 51 Cb 0.61 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.02 2ddj n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ddj s SER 52 N -4.70 -0.11 0.27 0.41 1.04 -1.26 -4.80 113.70 104.55 2ddj s SER 52 Ca -0.00 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.79 2ddj s SER 52 Cb 0.12 0.59 0.37 0.00 0.10 0.00 0.00 66.02 67.20 2ddj s SER 52 CO 0.81 -1.14 1.71 -0.09 0.98 0.00 0.00 173.24 175.52 2ddj h ARG 53 N 2.00 0.57 -0.30 4.02 2.43 -1.97 -3.08 114.38 118.05 2ddj h ARG 53 Ca -0.26 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2ddj h ARG 53 Cb 1.23 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 2ddj h ARG 53 CO 0.31 0.75 -0.18 -1.91 -1.51 0.00 0.00 179.97 177.43 2ddj n GLU 54 N -4.14 -0.13 0.03 0.20 0.00 -1.26 0.35 120.64 115.69 2ddj n GLU 54 Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 57.16 58.31 2ddj n GLU 54 Cb 0.39 -1.64 0.45 0.00 0.00 0.00 0.00 31.44 30.64 2ddj n GLU 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2ddj h SER 55 N 0.00 0.41 -0.13 4.31 4.64 -1.97 -1.27 113.55 119.54 2ddj h SER 55 Ca 0.05 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2ddj h SER 55 Cb 0.12 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2ddj h SER 55 CO -0.28 0.31 -0.25 0.00 -0.87 0.00 0.00 176.83 175.74 2ddj h GLU 57 N -0.01 0.49 -0.70 0.00 5.08 0.22 -0.59 114.58 119.07 2ddj h GLU 57 Ca 0.01 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2ddj h GLU 57 Cb 0.83 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2ddj h GLU 57 CO 0.06 0.58 0.26 0.22 -1.00 0.00 0.00 179.01 179.12 2ddj h ASP 58 N 0.46 0.96 0.49 1.42 3.58 -1.17 -2.70 116.42 119.46 2ddj h ASP 58 Ca 0.09 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2ddj h ASP 58 Cb 0.42 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2ddj h ASP 58 CO 0.02 0.87 -0.23 0.00 -2.88 0.00 0.00 179.24 177.02 2ddj h ALA 59 N 1.26 -0.65 -2.49 -0.78 0.00 -0.37 -3.43 119.26 112.80 2ddj h ALA 59 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ddj h ALA 59 Cb 0.23 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.12 2ddj h ALA 59 CO -0.02 -0.80 0.28 0.00 0.00 0.00 0.00 179.25 178.71 2ddj s PRO 61 N -2.73 3.38 0.06 0.00 0.04 -1.22 -3.70 135.00 130.84 2ddj s PRO 61 Ca -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 61.00 59.04 2ddj s PRO 61 Cb -0.01 -4.46 0.01 0.00 0.04 0.00 0.00 34.50 30.09 2ddj s PRO 61 CO -0.05 -1.43 0.08 0.28 0.04 0.00 0.00 177.00 175.92 2ddj n VAL 62 N 4.76 0.00 -1.62 -0.36 0.31 -1.26 -5.02 118.33 115.15 2ddj n VAL 62 Ca 0.06 -0.13 -0.44 0.00 -0.01 0.00 0.00 64.34 63.82 2ddj n VAL 62 Cb 0.45 -1.26 -0.01 0.00 -0.91 0.00 0.00 33.84 32.11 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 -1.42 2.04 -1.58 2.52 0.31 -1.26 -4.74 118.33 114.21 2ddj n VAL 63 Ca 0.01 -0.50 -0.56 0.00 -0.01 0.00 0.00 64.34 63.29 2ddj n VAL 63 Cb 0.05 -1.17 -0.08 0.00 -0.91 0.00 0.00 33.84 31.73 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 1.02 2.14 0.00 4.52 2.03 -1.26 -4.86 116.55 120.14 2ddj n ASP 64 Ca 0.08 0.83 0.09 0.00 0.52 0.00 0.00 54.79 56.31 2ddj n ASP 64 Cb 0.34 -1.15 0.43 0.00 -0.72 0.00 0.00 41.12 40.02 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 6.99 0.00 -1.66 -0.67 8.25 -1.26 -4.83 115.22 122.04 2ddj n HIS 65 Ca 0.34 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.36 2ddj n HIS 65 Cb 0.14 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 2ddj n HIS 65 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddj n HIS 66 N -1.36 1.99 -1.46 4.41 8.25 -1.26 -4.82 115.22 120.97 2ddj n HIS 66 Ca 0.07 0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 57.64 2ddj n HIS 66 Cb 0.17 -2.40 -0.02 0.00 1.12 0.00 0.00 29.99 28.85 2ddj n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddj n HIS 67 N 1.22 2.77 -1.74 4.41 8.25 -1.26 -4.94 115.22 123.93 2ddj n HIS 67 Ca 0.10 -2.48 -0.42 0.00 -0.26 0.00 0.00 57.72 54.66 2ddj n HIS 67 Cb 0.32 -2.19 -0.01 0.00 1.12 0.00 0.00 29.99 29.23 2ddj n HIS 67 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddj n HIS 68 N 6.54 2.76 -1.50 4.41 8.25 -1.26 -4.95 115.22 129.47 2ddj n HIS 68 Ca 0.52 0.37 -0.34 0.00 -0.26 0.00 0.00 57.72 58.00 2ddj n HIS 68 Cb 0.38 -2.54 0.09 0.00 1.12 0.00 0.00 29.99 29.04 2ddj n HIS 68 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ddj s HIS 69 N -0.51 2.09 -2.00 4.41 -3.43 -1.26 -5.23 115.29 109.35 2ddj s HIS 69 Ca 0.60 1.59 0.13 0.00 -0.80 0.00 0.00 55.06 56.57 2ddj s HIS 69 Cb -0.51 -3.48 0.78 0.00 -1.43 0.00 0.00 32.58 27.93 2ddj s HIS 69 CO 0.55 -2.59 1.20 1.58 -2.00 0.00 0.00 174.74 173.49