#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhx s SER 2 N 0.00 2.65 -0.30 1.61 1.04 -1.26 -5.13 113.70 112.31 2dhx s SER 2 Ca 0.00 -0.76 -0.14 0.00 0.48 0.00 0.00 55.95 55.54 2dhx s SER 2 Cb 0.00 -0.15 0.14 0.00 0.10 0.00 0.00 66.02 66.11 2dhx s SER 2 CO 0.00 0.03 0.85 -0.94 0.98 0.00 0.00 173.24 174.16 2dhx s SER 3 N -2.20 -0.79 0.00 7.02 1.04 -1.26 -5.14 113.70 112.37 2dhx s SER 3 Ca 0.10 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2dhx s SER 3 Cb -0.08 1.78 0.00 0.00 0.10 0.00 0.00 66.02 67.82 2dhx s SER 3 CO 0.05 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2dhx n GLY 4 N 4.89 -1.32 3.83 7.32 0.00 -1.26 -4.99 105.19 113.66 2dhx n GLY 4 Ca -0.12 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 2dhx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhx s SER 5 N -4.00 6.91 0.05 1.61 0.01 -1.26 -5.07 113.70 111.94 2dhx s SER 5 Ca 0.00 1.50 -0.18 0.00 1.31 0.00 0.00 55.95 58.58 2dhx s SER 5 Cb 0.00 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2dhx s SER 5 CO 0.00 -0.24 0.41 -0.55 0.41 0.00 0.00 173.24 173.27 2dhx s SER 6 N -2.13 -0.27 0.77 2.44 0.15 -1.26 -4.92 113.70 108.47 2dhx s SER 6 Ca 0.56 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 57.02 2dhx s SER 6 Cb -0.11 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2dhx s SER 6 CO 0.16 -0.68 0.34 0.61 1.20 0.00 0.00 173.24 174.87 2dhx n GLY 7 N 0.45 -2.03 0.00 9.45 0.00 -1.26 -5.02 105.19 106.78 2dhx n GLY 7 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2dhx n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 8 N 1.86 0.63 3.20 -0.02 0.00 -1.26 -5.05 105.19 104.54 2dhx n GLY 8 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2dhx n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dhx s VAL 9 N 1.98 2.50 0.02 1.61 1.01 -1.26 -5.08 120.40 121.17 2dhx s VAL 9 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2dhx s VAL 9 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2dhx s VAL 9 CO 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.48 2dhx s ALA 10 N 1.19 1.09 -0.09 5.51 0.00 -1.26 -1.07 121.76 127.12 2dhx s ALA 10 Ca 0.02 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2dhx s ALA 10 Cb -0.14 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2dhx s ALA 10 CO -0.07 0.22 -0.12 0.08 0.00 0.00 0.00 175.76 175.87 2dhx s VAL 11 N -0.70 1.24 -0.13 0.00 1.01 0.33 -3.20 120.40 118.95 2dhx s VAL 11 Ca 0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2dhx s VAL 11 Cb -0.07 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2dhx s VAL 11 CO 0.01 0.39 1.29 -0.70 0.00 0.00 0.00 175.10 176.09 2dhx s GLU 12 N 1.06 4.25 -0.16 2.72 -6.30 0.18 -1.05 118.70 119.39 2dhx s GLU 12 Ca -0.06 1.73 -0.08 0.00 -2.50 0.00 0.00 54.97 54.06 2dhx s GLU 12 Cb -0.15 -3.74 -0.04 0.00 0.00 0.00 0.00 34.13 30.21 2dhx s GLU 12 CO -0.01 -0.66 0.10 0.08 0.02 0.00 0.00 175.26 174.78 2dhx s VAL 13 N 3.25 5.11 0.04 3.70 1.01 -0.63 -0.07 120.40 132.81 2dhx s VAL 13 Ca 0.57 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.66 2dhx s VAL 13 Cb -0.24 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2dhx s VAL 13 CO 0.18 0.51 -0.10 -0.60 0.00 0.00 0.00 175.10 175.08 2dhx s ARG 14 N -0.12 0.69 -0.35 2.72 3.52 0.88 -2.48 118.95 123.81 2dhx s ARG 14 Ca 0.09 -0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2dhx s ARG 14 Cb -0.12 -0.61 -0.00 0.00 -1.56 0.00 0.00 34.95 32.66 2dhx s ARG 14 CO 0.01 0.14 0.33 0.41 -0.81 0.00 0.00 175.30 175.38 2dhx n GLY 15 N 1.83 -0.69 2.84 8.12 0.00 -1.20 0.17 105.19 116.25 2dhx n GLY 15 Ca -0.19 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2dhx n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dhx s LEU 16 N -2.99 0.91 0.44 0.99 2.96 -1.26 -3.69 118.68 116.04 2dhx s LEU 16 Ca 0.01 -0.16 -0.22 0.00 -0.22 0.00 0.00 54.13 53.54 2dhx s LEU 16 Cb -0.00 -0.57 -0.09 0.00 0.50 0.00 0.00 46.19 46.03 2dhx s LEU 16 CO 0.35 -0.14 1.05 -2.16 -1.32 0.00 0.00 176.35 174.12 2dhx s PRO 17 N 1.70 4.00 0.31 0.98 0.04 -1.26 -4.26 135.00 136.51 2dhx s PRO 17 Ca 0.02 1.46 0.16 0.00 0.04 0.00 0.00 61.00 62.67 2dhx s PRO 17 Cb -0.13 -2.35 0.39 0.00 0.04 0.00 0.00 34.50 32.45 2dhx s PRO 17 CO -0.05 -0.27 1.60 -1.00 0.04 0.00 0.00 177.00 177.31 2dhx h PRO 18 N 2.09 0.00 -0.01 0.56 0.13 -1.99 -2.95 132.00 129.83 2dhx h PRO 18 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2dhx h PRO 18 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dhx h PRO 18 CO 0.61 0.50 0.23 0.00 -0.23 0.00 0.00 178.00 179.12 2dhx h ALA 19 N 1.50 1.25 -3.02 -0.56 0.00 -2.00 -3.37 119.26 113.05 2dhx h ALA 19 Ca -0.01 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 2dhx h ALA 19 Cb 1.14 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 2dhx h ALA 19 CO 0.07 -0.23 -0.52 0.08 0.00 0.00 0.00 179.25 178.64 2dhx s VAL 20 N -4.12 5.28 0.60 0.00 1.01 -1.12 -5.08 120.40 116.96 2dhx s VAL 20 Ca -0.04 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 2dhx s VAL 20 Cb 0.10 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2dhx s VAL 20 CO 0.32 0.31 1.05 -2.16 0.00 0.00 0.00 175.10 174.62 2dhx s PRO 21 N 1.31 3.34 0.36 2.72 0.04 -1.26 -4.91 135.00 136.60 2dhx s PRO 21 Ca 0.07 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.30 2dhx s PRO 21 Cb -0.14 -2.04 0.71 0.00 0.04 0.00 0.00 34.50 33.06 2dhx s PRO 21 CO 0.07 -0.79 1.98 -0.44 0.04 0.00 0.00 177.00 177.86 2dhx h ASP 22 N 0.34 0.69 -0.79 6.66 5.19 -1.96 -2.29 116.42 124.25 2dhx h ASP 22 Ca -0.46 -0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.07 2dhx h ASP 22 Cb 1.21 -0.15 -0.14 0.00 0.18 0.00 0.00 39.33 40.43 2dhx h ASP 22 CO 0.58 0.46 -0.36 -0.08 -3.12 0.00 0.00 179.24 176.72 2dhx h GLU 23 N 0.79 -0.08 -0.16 3.56 4.81 -1.99 0.23 114.58 121.73 2dhx h GLU 23 Ca 0.29 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2dhx h GLU 23 Cb 0.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2dhx h GLU 23 CO -0.09 -0.05 0.01 -0.07 -0.73 0.00 0.00 179.01 178.08 2dhx h LEU 24 N -0.08 0.27 -0.93 1.64 3.38 -1.81 0.23 115.31 118.01 2dhx h LEU 24 Ca 0.29 -0.28 0.25 0.00 0.09 0.00 0.00 57.88 58.22 2dhx h LEU 24 Cb 0.57 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.08 2dhx h LEU 24 CO -0.83 0.49 0.04 0.25 0.09 0.00 0.00 178.44 178.47 2dhx h LEU 25 N 0.04 -0.42 0.00 1.67 5.85 -0.32 0.81 115.31 122.96 2dhx h LEU 25 Ca 0.05 0.26 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 2dhx h LEU 25 Cb 0.34 0.44 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2dhx h LEU 25 CO 0.01 -0.30 -0.06 0.71 -0.34 0.00 0.00 178.44 178.46 2dhx h THR 26 N 0.05 1.66 -0.86 1.05 1.35 -0.49 -2.90 112.91 112.77 2dhx h THR 26 Ca 0.55 -2.03 0.23 0.00 -0.55 0.00 0.00 66.41 64.61 2dhx h THR 26 Cb 1.10 3.03 -0.14 0.00 -1.73 0.00 0.00 68.15 70.41 2dhx h THR 26 CO -0.85 0.53 0.18 0.17 -0.25 0.00 0.00 175.52 175.31 2dhx h LEU 27 N -0.79 -0.10 0.66 3.87 8.10 0.19 1.58 115.31 128.83 2dhx h LEU 27 Ca -0.01 0.20 -0.03 0.00 0.11 0.00 0.00 57.88 58.15 2dhx h LEU 27 Cb 0.91 0.30 0.01 0.00 -0.44 0.00 0.00 40.66 41.43 2dhx h LEU 27 CO 0.01 -0.18 -0.32 0.22 -4.11 0.00 0.00 178.44 174.07 2dhx h TYR 28 N 0.17 -0.83 -0.95 0.17 3.20 0.45 0.75 116.97 119.94 2dhx h TYR 28 Ca 0.53 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.50 2dhx h TYR 28 Cb 1.06 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 39.52 2dhx h TYR 28 CO -0.31 -0.51 0.58 0.74 -1.64 0.00 0.00 178.16 177.01 2dhx h PHE 29 N -0.98 1.04 0.00 -3.82 0.04 -1.03 0.21 116.94 112.40 2dhx h PHE 29 Ca -0.09 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 2dhx h PHE 29 Cb 0.68 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2dhx h PHE 29 CO 0.05 0.39 -0.24 0.93 -0.60 0.00 0.00 178.31 178.84 2dhx h GLU 30 N 0.90 0.00 -6.23 1.51 5.08 0.23 -3.37 114.58 112.71 2dhx h GLU 30 Ca 0.48 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.28 2dhx h GLU 30 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2dhx h GLU 30 CO -0.28 0.24 0.99 1.21 -1.00 0.00 0.00 179.01 180.17 2dhx s ASN 31 N -6.87 6.80 0.21 1.42 2.47 0.73 -4.33 114.94 115.37 2dhx s ASN 31 Ca -0.03 2.00 0.26 0.00 0.42 0.00 0.00 52.86 55.51 2dhx s ASN 31 Cb 0.15 -2.54 0.80 0.00 -1.45 0.00 0.00 41.25 38.21 2dhx s ASN 31 CO 0.69 -0.84 1.77 -2.11 -3.72 0.00 0.00 177.10 172.89 2dhx n ARG 32 N 6.74 0.27 0.06 0.43 1.85 -1.26 -1.71 116.66 123.04 2dhx n ARG 32 Ca 0.15 0.22 -0.22 0.00 -1.00 0.00 0.00 57.85 57.00 2dhx n ARG 32 Cb 0.44 -1.81 -0.15 0.00 -1.05 0.00 0.00 32.46 29.89 2dhx n ARG 32 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dhx h ARG 33 N 0.00 0.35 -0.03 2.89 3.08 -1.91 -2.52 114.38 116.24 2dhx h ARG 33 Ca 0.00 -0.60 -0.24 0.00 0.07 0.00 0.00 59.98 59.21 2dhx h ARG 33 Cb 0.74 0.22 0.02 0.00 0.08 0.00 0.00 29.97 31.03 2dhx h ARG 33 CO 0.00 1.29 -0.94 0.00 -1.07 0.00 0.00 179.97 179.25 2dhx h ARG 34 N -0.16 0.68 0.00 0.04 2.47 -1.83 -3.43 114.38 112.15 2dhx h ARG 34 Ca -0.26 -0.70 0.00 0.00 -1.26 0.00 0.00 59.98 57.77 2dhx h ARG 34 Cb 1.87 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 30.38 2dhx h ARG 34 CO 0.15 1.29 0.00 0.45 0.56 0.00 0.00 179.97 182.42 2dhx n SER 35 N -3.92 0.00 0.00 7.04 2.88 -0.69 -5.02 113.62 113.90 2dhx n SER 35 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2dhx n SER 35 Cb 0.83 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 2dhx n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhx n GLY 36 N 3.39 0.83 0.00 0.46 0.00 -0.95 -4.92 105.19 104.00 2dhx n GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dhx n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 37 N 0.00 0.89 0.00 -0.02 0.00 -1.26 -4.69 105.19 100.11 2dhx n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dhx n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 38 N 5.00 2.46 3.77 -0.02 0.00 -1.26 -4.79 105.19 110.35 2dhx n GLY 38 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2dhx n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhx s PRO 39 N 3.43 4.40 -0.18 1.61 0.04 -1.26 -4.09 135.00 138.94 2dhx s PRO 39 Ca 0.00 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 2dhx s PRO 39 Cb 0.00 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 2dhx s PRO 39 CO 0.00 0.04 0.08 0.08 0.04 0.00 0.00 177.00 177.24 2dhx s VAL 40 N -1.42 5.00 0.03 -0.36 1.01 -1.26 -2.26 120.40 121.13 2dhx s VAL 40 Ca 0.51 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 2dhx s VAL 40 Cb -0.27 -3.25 -0.16 0.00 0.00 0.00 0.00 36.38 32.70 2dhx s VAL 40 CO 0.34 0.47 1.27 0.25 0.00 0.00 0.00 175.10 177.42 2dhx h LEU 41 N 6.57 -0.77 -8.28 3.92 5.85 -1.73 -3.43 115.31 117.44 2dhx h LEU 41 Ca -0.39 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.17 2dhx h LEU 41 Cb 1.16 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 2dhx h LEU 41 CO 0.71 -0.42 0.03 -0.55 -0.34 0.00 0.00 178.44 177.87 2dhx s SER 42 N -4.50 0.49 -0.15 1.25 0.15 -1.18 -4.98 113.70 104.79 2dhx s SER 42 Ca -0.15 -1.32 -0.12 0.00 0.70 0.00 0.00 55.95 55.06 2dhx s SER 42 Cb 0.02 0.75 0.04 0.00 -1.71 0.00 0.00 66.02 65.13 2dhx s SER 42 CO 0.50 -1.48 0.38 0.86 1.20 0.00 0.00 173.24 174.69 2dhx s TRP 43 N -2.71 -0.46 -0.36 3.44 -0.11 -1.26 -1.53 118.94 115.94 2dhx s TRP 43 Ca 0.23 1.08 0.02 0.00 1.22 0.00 0.00 56.10 58.65 2dhx s TRP 43 Cb -0.03 0.17 0.11 0.00 -1.50 0.00 0.00 33.47 32.22 2dhx s TRP 43 CO 0.16 -0.24 0.11 -1.14 -4.62 0.00 0.00 176.95 171.22 2dhx s GLN 44 N 0.60 1.23 0.01 5.86 0.74 0.46 -4.99 119.66 123.56 2dhx s GLN 44 Ca -0.03 -1.69 -0.30 0.00 0.05 0.00 0.00 55.36 53.39 2dhx s GLN 44 Cb -0.05 -2.67 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 2dhx s GLN 44 CO -0.04 -1.00 1.16 0.50 -0.55 0.00 0.00 175.29 175.36 2dhx s ARG 45 N 0.96 4.42 0.00 1.67 3.52 -1.26 -0.78 118.95 127.48 2dhx s ARG 45 Ca 0.12 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.39 2dhx s ARG 45 Cb -0.20 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 2dhx s ARG 45 CO -0.12 -0.29 0.00 1.28 -0.81 0.00 0.00 175.30 175.36 2dhx n LEU 46 N 4.39 0.00 0.00 -0.88 4.77 0.50 -4.87 117.00 120.91 2dhx n LEU 46 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2dhx n LEU 46 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2dhx n LEU 46 CO 0.55 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2dhx n GLY 47 N 5.00 -0.07 2.73 -0.72 0.00 -1.26 -3.30 105.19 107.57 2dhx n GLY 47 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2dhx n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhx n GLY 49 N 0.24 0.46 0.00 0.00 0.00 -1.21 -3.23 105.19 101.45 2dhx n GLY 49 Ca 0.41 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2dhx n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhx n GLY 50 N 0.00 4.32 3.70 -0.02 0.00 -1.04 0.19 105.19 112.34 2dhx n GLY 50 Ca 0.00 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 2dhx n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dhx s VAL 51 N -2.00 5.02 0.10 1.61 1.01 0.04 -1.60 120.40 124.58 2dhx s VAL 51 Ca 0.00 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.44 2dhx s VAL 51 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2dhx s VAL 51 CO 0.00 0.19 -0.02 -0.22 0.00 0.00 0.00 175.10 175.05 2dhx s LEU 52 N 1.24 3.36 -0.10 3.92 0.20 -0.22 -0.40 118.68 126.67 2dhx s LEU 52 Ca 0.35 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.96 2dhx s LEU 52 Cb -0.17 -2.09 -0.00 0.00 -0.43 0.00 0.00 46.19 43.50 2dhx s LEU 52 CO 0.15 0.16 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.25 2dhx s THR 53 N -1.34 2.10 -0.25 3.68 2.01 -0.59 0.12 115.64 121.38 2dhx s THR 53 Ca 0.25 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 2dhx s THR 53 Cb -0.11 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2dhx s THR 53 CO 0.17 0.56 0.11 -0.36 -0.69 0.00 0.00 174.62 174.41 2dhx s PHE 54 N 0.33 3.15 0.18 4.92 0.40 -0.23 -2.31 117.98 124.42 2dhx s PHE 54 Ca -0.18 -0.19 -0.22 0.00 -0.60 0.00 0.00 56.93 55.74 2dhx s PHE 54 Cb -0.18 -2.26 0.09 0.00 0.51 0.00 0.00 43.02 41.18 2dhx s PHE 54 CO 0.09 -0.23 1.44 -2.13 0.70 0.00 0.00 175.22 175.08 2dhx n ARG 55 N 4.79 -0.31 -3.82 0.44 0.63 -0.96 -4.35 116.66 113.08 2dhx n ARG 55 Ca -0.16 1.42 -0.31 0.00 -0.92 0.00 0.00 57.85 57.89 2dhx n ARG 55 Cb 0.52 -2.10 -0.04 0.00 0.45 0.00 0.00 32.46 31.29 2dhx n ARG 55 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2dhx s GLU 56 N -5.69 3.51 -0.08 -0.14 2.02 -1.26 -4.85 118.70 112.21 2dhx s GLU 56 Ca -0.12 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.29 2dhx s GLU 56 Cb 0.15 -2.95 -0.21 0.00 0.10 0.00 0.00 34.13 31.21 2dhx s GLU 56 CO 0.62 0.54 0.95 -1.00 0.02 0.00 0.00 175.26 176.39 2dhx h PRO 57 N 2.84 -0.03 -0.26 0.39 0.13 -1.97 -2.46 132.00 130.65 2dhx h PRO 57 Ca -0.46 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2dhx h PRO 57 Cb 1.17 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2dhx h PRO 57 CO 0.74 0.66 0.10 0.00 -0.23 0.00 0.00 178.00 179.26 2dhx h ALA 58 N 0.11 0.29 -0.67 -0.56 0.00 -1.96 -1.32 119.26 115.17 2dhx h ALA 58 Ca -0.00 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2dhx h ALA 58 Cb 0.70 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 2dhx h ALA 58 CO 0.01 -0.31 0.29 0.22 0.00 0.00 0.00 179.25 179.46 2dhx h ASP 59 N 0.23 0.33 -0.85 0.00 3.58 -1.94 0.80 116.42 118.56 2dhx h ASP 59 Ca 0.11 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.71 2dhx h ASP 59 Cb 0.06 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 2dhx h ASP 59 CO -0.10 0.18 0.56 0.00 -2.88 0.00 0.00 179.24 176.99 2dhx h ALA 60 N 1.44 1.59 -0.01 -0.78 0.00 -0.82 -0.72 119.26 119.97 2dhx h ALA 60 Ca 0.34 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 2dhx h ALA 60 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dhx h ALA 60 CO -0.31 0.27 -0.91 0.93 0.00 0.00 0.00 179.25 179.23 2dhx h GLU 61 N 0.92 0.40 -0.24 0.00 4.39 0.48 -2.65 114.58 117.87 2dhx h GLU 61 Ca 0.37 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.73 2dhx h GLU 61 Cb 0.26 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2dhx h GLU 61 CO -0.14 1.08 0.28 0.00 -1.16 0.00 0.00 179.01 179.07 2dhx h ARG 62 N 0.23 0.00 0.00 2.33 2.47 0.20 0.37 114.38 119.97 2dhx h ARG 62 Ca -0.07 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.48 2dhx h ARG 62 Cb 1.54 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.84 2dhx h ARG 62 CO 0.16 0.00 -0.93 0.28 0.56 0.00 0.00 179.97 180.04 2dhx h VAL 63 N 0.00 0.99 -0.95 2.04 2.07 -1.34 -3.36 116.25 115.70 2dhx h VAL 63 Ca 0.12 -2.09 0.18 0.00 0.82 0.00 0.00 66.70 65.73 2dhx h VAL 63 Cb 0.68 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.57 2dhx h VAL 63 CO -0.00 0.33 0.60 -0.07 0.02 0.00 0.00 177.57 178.46 2dhx h LEU 64 N -1.00 0.66 -0.97 2.57 3.38 -0.97 0.70 115.31 119.68 2dhx h LEU 64 Ca -0.25 0.06 0.40 0.00 0.09 0.00 0.00 57.88 58.19 2dhx h LEU 64 Cb 1.15 -0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 2dhx h LEU 64 CO -0.15 0.28 0.51 0.00 0.09 0.00 0.00 178.44 179.17 2dhx n ALA 65 N -2.41 0.98 -2.65 1.53 0.00 0.12 -3.88 120.51 114.21 2dhx n ALA 65 Ca 0.20 0.99 -0.42 0.00 0.00 0.00 0.00 53.44 54.21 2dhx n ALA 65 Cb 0.57 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 2dhx n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2dhx s GLN 66 N -5.48 4.21 0.00 0.00 0.74 0.24 -4.89 119.66 114.48 2dhx s GLN 66 Ca -0.09 1.06 0.19 0.00 0.05 0.00 0.00 55.36 56.57 2dhx s GLN 66 Cb 0.33 -3.64 1.07 0.00 1.10 0.00 0.00 33.01 31.87 2dhx s GLN 66 CO 0.75 -0.53 1.70 0.00 -0.55 0.00 0.00 175.29 176.66 2dhx n ALA 67 N 6.02 2.60 -2.52 1.58 0.00 -1.25 -4.72 120.51 122.22 2dhx n ALA 67 Ca 0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 2dhx n ALA 67 Cb 0.47 -1.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.49 2dhx n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dhx s ASP 68 N -1.58 2.34 -0.14 0.00 2.15 -1.26 -4.90 116.67 113.27 2dhx s ASP 68 Ca 0.29 -0.36 -0.06 0.00 0.43 0.00 0.00 52.55 52.84 2dhx s ASP 68 Cb 0.13 -0.33 0.06 0.00 -0.30 0.00 0.00 42.92 42.48 2dhx s ASP 68 CO 0.22 0.23 0.30 -1.00 -0.17 0.00 0.00 175.17 174.76 2dhx s HIS 69 N -0.38 -0.48 -0.05 -5.34 3.76 -1.24 -5.04 115.29 106.52 2dhx s HIS 69 Ca 0.06 1.04 0.05 0.00 -0.15 0.00 0.00 55.06 56.05 2dhx s HIS 69 Cb -0.08 0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.69 2dhx s HIS 69 CO -0.00 -0.33 -0.19 -2.00 -0.85 0.00 0.00 174.74 171.37 2dhx s GLU 70 N 1.92 2.02 -0.26 1.40 2.12 -1.26 -0.70 118.70 123.93 2dhx s GLU 70 Ca -0.04 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.59 2dhx s GLU 70 Cb -0.11 -1.72 0.15 0.00 0.26 0.00 0.00 34.13 32.71 2dhx s GLU 70 CO -0.10 0.25 0.42 -1.17 -0.54 0.00 0.00 175.26 174.13 2dhx s LEU 71 N 0.06 -0.79 -0.81 2.70 2.96 -1.19 -4.96 118.68 116.65 2dhx s LEU 71 Ca -0.05 0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2dhx s LEU 71 Cb -0.13 1.31 -0.01 0.00 0.50 0.00 0.00 46.19 47.86 2dhx s LEU 71 CO 0.03 -0.30 0.72 1.41 -1.32 0.00 0.00 176.35 176.89 2dhx n HIS 72 N 5.38 -2.76 -2.97 5.38 8.25 -1.26 -4.03 115.22 123.21 2dhx n HIS 72 Ca -0.03 1.04 -0.07 0.00 -0.26 0.00 0.00 57.72 58.40 2dhx n HIS 72 Cb 0.50 -3.92 0.01 0.00 1.12 0.00 0.00 29.99 27.70 2dhx n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dhx n GLY 73 N -1.69 0.04 0.00 -1.41 0.00 -1.26 -4.96 105.19 95.91 2dhx n GLY 73 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2dhx n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhx n ALA 74 N 0.93 0.00 -2.84 4.61 0.00 -1.26 -5.04 120.51 116.91 2dhx n ALA 74 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2dhx n ALA 74 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 2dhx n ALA 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dhx s GLN 75 N -2.00 2.92 -0.19 0.00 -1.52 -1.26 -3.17 119.66 114.44 2dhx s GLN 75 Ca 0.00 -1.28 -0.17 0.00 -1.95 0.00 0.00 55.36 51.96 2dhx s GLN 75 Cb 0.00 -4.03 -0.04 0.00 -0.22 0.00 0.00 33.01 28.72 2dhx s GLN 75 CO 0.00 -0.94 0.43 -0.51 -0.25 0.00 0.00 175.29 174.02 2dhx s LEU 76 N 1.62 4.17 -0.56 2.90 2.01 0.12 -4.70 118.68 124.23 2dhx s LEU 76 Ca 0.04 0.58 -0.17 0.00 0.01 0.00 0.00 54.13 54.59 2dhx s LEU 76 Cb -0.23 -2.57 0.12 0.00 0.01 0.00 0.00 46.19 43.52 2dhx s LEU 76 CO 0.07 -0.08 0.59 -0.44 1.01 0.00 0.00 176.35 177.49 2dhx s SER 77 N 1.00 6.19 0.22 2.29 0.01 0.45 -3.67 113.70 120.18 2dhx s SER 77 Ca 0.21 -1.62 -0.18 0.00 1.31 0.00 0.00 55.95 55.67 2dhx s SER 77 Cb -0.15 -2.25 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 2dhx s SER 77 CO 0.08 -0.97 0.69 -0.76 0.41 0.00 0.00 173.24 172.69 2dhx s LEU 78 N 2.09 4.31 0.16 2.44 2.01 -1.26 -0.08 118.68 128.35 2dhx s LEU 78 Ca 0.07 1.33 -0.15 0.00 0.01 0.00 0.00 54.13 55.39 2dhx s LEU 78 Cb -0.27 -3.59 0.02 0.00 0.01 0.00 0.00 46.19 42.36 2dhx s LEU 78 CO 0.05 0.02 0.42 -0.13 1.01 0.00 0.00 176.35 177.71 2dhx s ARG 79 N -2.10 1.21 -0.28 1.70 0.52 0.90 -4.96 118.95 115.95 2dhx s ARG 79 Ca 0.43 -0.89 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 2dhx s ARG 79 Cb -0.16 0.47 -0.00 0.00 0.52 0.00 0.00 34.95 35.78 2dhx s ARG 79 CO 0.20 -0.49 1.34 -1.25 0.02 0.00 0.00 175.30 175.13 2dhx s PRO 80 N -3.87 3.91 0.66 3.54 0.04 -1.26 0.47 135.00 138.48 2dhx s PRO 80 Ca 0.09 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 2dhx s PRO 80 Cb 0.01 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2dhx s PRO 80 CO -0.05 -1.13 1.15 0.00 0.04 0.00 0.00 177.00 177.00 2dhx s ALA 81 N 4.45 2.40 0.87 8.56 0.00 -1.19 -4.61 121.76 132.24 2dhx s ALA 81 Ca 0.58 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 2dhx s ALA 81 Cb -0.18 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.68 2dhx s ALA 81 CO 0.24 -1.38 1.12 -1.25 0.00 0.00 0.00 175.76 174.49 2dhx s PRO 82 N -3.90 1.52 0.53 0.00 0.04 -1.26 -4.86 135.00 127.07 2dhx s PRO 82 Ca 0.70 0.43 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 2dhx s PRO 82 Cb -0.24 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 2dhx s PRO 82 CO 0.40 -1.97 1.04 -1.25 0.04 0.00 0.00 177.00 175.27 2dhx s PRO 83 N -5.23 3.63 0.00 0.56 0.04 -1.26 -4.99 135.00 127.75 2dhx s PRO 83 Ca 0.63 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2dhx s PRO 83 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2dhx s PRO 83 CO 0.54 -0.56 0.00 -2.13 0.04 0.00 0.00 177.00 174.89 2dhx n ARG 84 N -1.39 0.00 -3.78 4.56 0.63 -1.26 -5.18 116.66 110.23 2dhx n ARG 84 Ca 0.09 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.91 2dhx n ARG 84 Cb 0.53 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.36 2dhx n ARG 84 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dhx s ALA 85 N 0.00 -0.60 0.11 5.13 0.00 -1.26 -4.41 121.76 120.73 2dhx s ALA 85 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2dhx s ALA 85 Cb 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.37 2dhx s ALA 85 CO 0.00 -0.40 1.15 -1.25 0.00 0.00 0.00 175.76 175.25 2dhx s PRO 86 N -2.58 4.50 0.00 0.00 0.04 -1.26 -4.99 135.00 130.72 2dhx s PRO 86 Ca -0.05 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2dhx s PRO 86 Cb -0.01 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2dhx s PRO 86 CO -0.04 -0.11 0.00 0.00 0.04 0.00 0.00 177.00 176.89 2dhx n ALA 87 N 3.26 0.00 -3.30 8.56 0.00 -1.26 -4.94 120.51 122.83 2dhx n ALA 87 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 2dhx n ALA 87 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 2dhx n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2dhx n ARG 88 N 0.00 1.73 -4.35 0.00 0.63 -1.26 -5.07 116.66 108.34 2dhx n ARG 88 Ca 0.00 -4.02 -0.19 0.00 -0.92 0.00 0.00 57.85 52.72 2dhx n ARG 88 Cb 0.00 -1.79 -0.10 0.00 0.45 0.00 0.00 32.46 31.02 2dhx n ARG 88 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2dhx s LEU 89 N -1.96 1.72 -0.49 6.15 2.34 -1.26 -5.12 118.68 120.06 2dhx s LEU 89 Ca 0.38 -1.48 0.06 0.00 0.06 0.00 0.00 54.13 53.15 2dhx s LEU 89 Cb 0.17 0.06 0.19 0.00 -0.56 0.00 0.00 46.19 46.05 2dhx s LEU 89 CO -0.06 -0.81 0.67 -0.11 -1.06 0.00 0.00 176.35 174.98 2dhx n LEU 90 N -0.57 -2.75 -4.46 1.48 0.00 -1.26 -5.10 117.00 104.34 2dhx n LEU 90 Ca -0.00 -3.29 -0.43 0.00 0.00 0.00 0.00 56.01 52.29 2dhx n LEU 90 Cb 0.66 0.73 -0.07 0.00 0.00 0.00 0.00 43.42 44.73 2dhx n LEU 90 CO 0.36 1.94 0.28 -0.76 0.00 0.00 0.00 177.39 179.21 2dhx s LEU 91 N 0.49 4.89 -0.29 -1.96 1.43 -1.26 -5.02 118.68 116.97 2dhx s LEU 91 Ca 0.31 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 2dhx s LEU 91 Cb 0.04 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 2dhx s LEU 91 CO -0.10 -0.79 1.31 -1.58 0.23 0.00 0.00 176.35 175.42 2dhx s GLN 92 N 2.51 3.94 0.00 1.70 0.74 -1.26 -4.82 119.66 122.47 2dhx s GLN 92 Ca 0.15 1.30 0.00 0.00 0.05 0.00 0.00 55.36 56.86 2dhx s GLN 92 Cb -0.18 -3.88 0.00 0.00 1.10 0.00 0.00 33.01 30.05 2dhx s GLN 92 CO 0.13 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.19 2dhx n GLY 93 N 4.27 1.95 3.16 2.59 0.00 -1.26 -5.13 105.19 110.77 2dhx n GLY 93 Ca 0.15 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 2dhx n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dhx s LEU 94 N 0.00 1.78 0.85 0.99 1.02 -1.26 -5.17 118.68 116.88 2dhx s LEU 94 Ca 0.00 -0.72 -0.12 0.00 0.02 0.00 0.00 54.13 53.31 2dhx s LEU 94 Cb 0.00 0.74 0.10 0.00 0.02 0.00 0.00 46.19 47.05 2dhx s LEU 94 CO 0.00 -0.65 1.12 -2.16 0.02 0.00 0.00 176.35 174.67 2dhx s PRO 95 N -3.64 1.67 0.78 1.29 0.04 -1.26 -5.06 135.00 128.81 2dhx s PRO 95 Ca 0.04 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.43 2dhx s PRO 95 Cb 0.05 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.89 2dhx s PRO 95 CO -0.10 -1.87 0.86 -0.35 0.04 0.00 0.00 177.00 175.58 2dhx n PRO 96 N -3.58 -1.71 0.00 0.56 -0.04 -1.26 -5.08 135.00 123.90 2dhx n PRO 96 Ca 0.07 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 2dhx n PRO 96 Cb 0.58 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2dhx n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dhx n GLY 97 N -1.87 0.65 3.35 0.55 0.00 -1.26 -5.19 105.19 101.41 2dhx n GLY 97 Ca 0.11 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.41 2dhx n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dhx s THR 98 N 0.00 0.33 -0.04 2.61 -4.23 -1.26 -5.17 115.64 107.87 2dhx s THR 98 Ca 0.00 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.20 2dhx s THR 98 Cb 0.00 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.46 2dhx s THR 98 CO 0.00 0.00 1.14 -0.44 -0.54 0.00 0.00 174.62 174.78 2dhx s SER 99 N -3.40 -0.16 -0.07 3.99 0.01 -1.26 -5.19 113.70 107.63 2dhx s SER 99 Ca 0.35 -0.11 -0.31 0.00 1.31 0.00 0.00 55.95 57.19 2dhx s SER 99 Cb 0.05 0.25 0.11 0.00 0.21 0.00 0.00 66.02 66.64 2dhx s SER 99 CO 0.18 -0.43 0.99 -0.83 0.41 0.00 0.00 173.24 173.56 2dhx s GLY 100 N -2.63 -0.41 1.11 3.44 0.00 -1.26 -5.18 107.32 102.40 2dhx s GLY 100 Ca 0.11 1.21 -0.19 0.00 0.00 0.00 0.00 44.72 45.86 2dhx s GLY 100 CO -0.04 0.41 1.24 2.56 0.00 0.00 0.00 173.10 177.26 2dhx s PRO 101 N -2.88 -0.55 0.41 2.90 0.04 -1.26 -5.09 135.00 128.57 2dhx s PRO 101 Ca 0.06 -0.35 0.07 0.00 0.04 0.00 0.00 61.00 60.82 2dhx s PRO 101 Cb -0.01 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 2dhx s PRO 101 CO -0.08 -3.22 0.05 -1.12 0.04 0.00 0.00 177.00 172.68 2dhx s SER 102 N -4.48 4.01 0.20 6.66 0.01 -1.26 -5.16 113.70 113.68 2dhx s SER 102 Ca 0.74 -1.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 2dhx s SER 102 Cb -0.05 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.76 2dhx s SER 102 CO 0.55 -0.48 0.29 -0.55 0.41 0.00 0.00 173.24 173.46 2dhx s SER 103 N -3.76 0.04 0.00 2.44 0.15 -1.26 -5.38 113.70 105.93 2dhx s SER 103 Ca 0.36 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2dhx s SER 103 Cb 0.08 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2dhx s SER 103 CO 0.19 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.28