#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhx n SER 2 N 0.00 -0.33 -3.63 1.61 7.64 -1.26 -5.16 113.62 112.49 2dhx n SER 2 Ca 0.00 0.43 -0.03 0.00 1.01 0.00 0.00 58.87 60.28 2dhx n SER 2 Cb 0.00 0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 63.66 2dhx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dhx s SER 3 N -4.85 -0.08 0.00 6.43 0.01 -1.26 -5.19 113.70 108.76 2dhx s SER 3 Ca 0.00 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2dhx s SER 3 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2dhx s SER 3 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2dhx n GLY 4 N 0.59 2.73 2.94 3.44 0.00 -1.26 -5.16 105.19 108.47 2dhx n GLY 4 Ca -0.02 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 2dhx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhx s SER 5 N -0.88 0.52 -0.14 1.61 0.15 -1.26 -5.14 113.70 108.55 2dhx s SER 5 Ca 0.00 0.48 -0.29 0.00 0.70 0.00 0.00 55.95 56.84 2dhx s SER 5 Cb 0.00 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 2dhx s SER 5 CO 0.00 -0.25 0.83 -0.55 1.20 0.00 0.00 173.24 174.48 2dhx s SER 6 N 2.38 -0.55 0.91 5.45 0.15 -1.26 -5.10 113.70 115.69 2dhx s SER 6 Ca 0.02 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2dhx s SER 6 Cb -0.12 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2dhx s SER 6 CO -0.08 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2dhx n GLY 7 N 1.20 2.45 0.00 9.45 0.00 -1.26 -4.65 105.19 112.38 2dhx n GLY 7 Ca -0.15 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 4.94 3.09 -0.02 0.00 -1.26 -5.13 105.19 106.81 2dhx n GLY 8 Ca 0.00 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 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 3.82 1.98 0.07 1.61 1.01 -1.26 -5.07 120.40 122.56 2dhx s VAL 9 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.07 2dhx s VAL 9 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2dhx s VAL 9 CO 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 175.10 175.37 2dhx s ALA 10 N 1.30 1.47 -0.11 5.51 0.00 -1.26 -0.77 121.76 127.90 2dhx s ALA 10 Ca 0.03 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2dhx s ALA 10 Cb -0.14 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.81 2dhx s ALA 10 CO -0.12 0.28 -0.05 0.08 0.00 0.00 0.00 175.76 175.95 2dhx s VAL 11 N -1.08 0.83 -0.39 0.00 1.01 0.32 -3.50 120.40 117.59 2dhx s VAL 11 Ca 0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 2dhx s VAL 11 Cb -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2dhx s VAL 11 CO 0.03 0.29 1.36 -0.70 0.00 0.00 0.00 175.10 176.08 2dhx s GLU 12 N 1.78 3.68 -0.09 2.72 2.12 0.18 -0.57 118.70 128.52 2dhx s GLU 12 Ca 0.04 1.00 -0.15 0.00 0.36 0.00 0.00 54.97 56.22 2dhx s GLU 12 Cb -0.13 -3.98 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 2dhx s GLU 12 CO -0.07 -1.43 0.37 0.08 -0.54 0.00 0.00 175.26 173.66 2dhx s VAL 13 N 5.08 5.19 0.03 3.70 1.01 0.64 -0.49 120.40 135.56 2dhx s VAL 13 Ca 0.59 0.73 0.03 0.00 0.00 0.00 0.00 61.98 63.33 2dhx s VAL 13 Cb -0.14 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2dhx s VAL 13 CO 0.30 0.46 -0.09 -0.60 0.00 0.00 0.00 175.10 175.17 2dhx s ARG 14 N -0.17 0.62 -0.21 2.72 3.52 0.18 -1.30 118.95 124.30 2dhx s ARG 14 Ca 0.21 -0.63 -0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2dhx s ARG 14 Cb -0.15 -0.51 -0.00 0.00 -1.56 0.00 0.00 34.95 32.72 2dhx s ARG 14 CO 0.09 0.12 0.20 0.41 -0.81 0.00 0.00 175.30 175.31 2dhx n GLY 15 N 1.93 -0.32 2.88 8.12 0.00 -1.26 0.18 105.19 116.71 2dhx n GLY 15 Ca -0.19 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.80 1.13 0.43 0.99 2.96 -1.26 -3.95 118.68 116.18 2dhx s LEU 16 Ca 0.03 -0.17 -0.23 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 0.20 -0.10 1.05 -2.16 -1.32 0.00 0.00 176.35 174.02 2dhx s PRO 17 N 1.34 4.01 0.24 0.98 0.04 -1.26 -4.40 135.00 135.95 2dhx s PRO 17 Ca -0.04 1.46 0.10 0.00 0.04 0.00 0.00 61.00 62.57 2dhx s PRO 17 Cb -0.14 -2.37 0.20 0.00 0.04 0.00 0.00 34.50 32.24 2dhx s PRO 17 CO -0.03 -0.26 1.51 -1.00 0.04 0.00 0.00 177.00 177.26 2dhx h PRO 18 N 2.13 0.00 -0.51 0.56 0.13 -1.95 -3.02 132.00 129.34 2dhx h PRO 18 Ca -0.49 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.79 2dhx h PRO 18 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2dhx h PRO 18 CO 0.61 0.71 0.49 0.00 -0.23 0.00 0.00 178.00 179.58 2dhx h ALA 19 N 1.29 2.28 -2.65 -0.56 0.00 -2.01 -3.37 119.26 114.24 2dhx h ALA 19 Ca -0.01 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 2dhx h ALA 19 Cb 1.30 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 2dhx h ALA 19 CO 0.09 -0.75 -0.02 0.08 0.00 0.00 0.00 179.25 178.65 2dhx s VAL 20 N -4.69 5.09 0.74 0.00 1.01 -1.14 -5.06 120.40 116.35 2dhx s VAL 20 Ca -0.04 0.94 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 2dhx s VAL 20 Cb 0.17 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.74 2dhx s VAL 20 CO 0.59 0.14 1.08 -2.16 0.00 0.00 0.00 175.10 174.74 2dhx s PRO 21 N 1.92 2.53 0.23 2.72 0.04 -1.26 -4.91 135.00 136.26 2dhx s PRO 21 Ca 0.23 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 62.01 2dhx s PRO 21 Cb -0.15 -1.96 0.20 0.00 0.04 0.00 0.00 34.50 32.63 2dhx s PRO 21 CO 0.09 -1.35 1.79 0.38 0.04 0.00 0.00 177.00 177.95 2dhx h ASP 22 N -0.90 1.06 -0.97 6.66 2.03 -1.97 -2.64 116.42 119.69 2dhx h ASP 22 Ca -0.45 -0.17 0.17 0.00 -0.73 0.00 0.00 57.03 55.85 2dhx h ASP 22 Cb 1.24 -0.28 -0.17 0.00 -0.83 0.00 0.00 39.33 39.30 2dhx h ASP 22 CO 0.58 0.95 -0.34 -0.08 -1.03 0.00 0.00 179.24 179.31 2dhx h GLU 23 N 1.12 -0.01 -0.05 4.15 4.81 -1.99 0.38 114.58 122.99 2dhx h GLU 23 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2dhx h GLU 23 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2dhx h GLU 23 CO -0.02 -0.00 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.18 2dhx h LEU 24 N -0.01 0.09 -1.00 1.64 3.38 -1.90 0.27 115.31 117.79 2dhx h LEU 24 Ca 0.38 -0.35 0.33 0.00 0.09 0.00 0.00 57.88 58.34 2dhx h LEU 24 Cb 0.63 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.18 2dhx h LEU 24 CO -0.98 0.41 0.23 0.25 0.09 0.00 0.00 178.44 178.44 2dhx h LEU 25 N -0.24 -0.17 0.00 1.67 5.85 -0.02 0.52 115.31 122.93 2dhx h LEU 25 Ca 0.01 0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2dhx h LEU 25 Cb 0.37 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2dhx h LEU 25 CO 0.00 -0.39 -0.12 0.71 -0.34 0.00 0.00 178.44 178.31 2dhx h THR 26 N 0.01 1.33 -1.55 1.05 1.35 -0.61 -2.70 112.91 111.79 2dhx h THR 26 Ca 0.70 -2.04 0.48 0.00 -0.55 0.00 0.00 66.41 65.00 2dhx h THR 26 Cb 1.64 2.55 -0.10 0.00 -1.73 0.00 0.00 68.15 70.51 2dhx h THR 26 CO -0.87 0.45 1.06 0.17 -0.25 0.00 0.00 175.52 176.09 2dhx h LEU 27 N -1.00 0.13 0.01 3.87 8.10 0.21 1.59 115.31 128.21 2dhx h LEU 27 Ca -0.03 0.07 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 2dhx h LEU 27 Cb 0.82 0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.10 2dhx h LEU 27 CO -0.02 -0.10 -0.01 0.22 -4.11 0.00 0.00 178.44 174.43 2dhx h TYR 28 N 0.04 -0.01 -0.33 0.17 3.20 -0.16 -3.05 116.97 116.82 2dhx h TYR 28 Ca 0.84 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.77 2dhx h TYR 28 Cb 2.99 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 41.21 2dhx h TYR 28 CO -0.00 -0.01 -0.04 0.74 -1.64 0.00 0.00 178.16 177.21 2dhx h PHE 29 N -0.67 -0.10 -0.39 -3.82 0.04 -0.70 -2.12 116.94 109.18 2dhx h PHE 29 Ca -0.00 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.88 2dhx h PHE 29 Cb 0.01 0.10 -0.08 0.00 2.20 0.00 0.00 35.95 38.17 2dhx h PHE 29 CO 0.00 -0.10 -0.19 0.93 -0.60 0.00 0.00 178.31 178.35 2dhx h GLU 30 N 0.04 -0.11 -6.84 1.51 5.08 0.20 -3.30 114.58 111.17 2dhx h GLU 30 Ca 0.16 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.96 2dhx h GLU 30 Cb 0.24 0.03 0.14 0.00 0.50 0.00 0.00 28.75 29.65 2dhx h GLU 30 CO -0.31 -0.07 0.39 -1.71 -1.00 0.00 0.00 179.01 176.31 2dhx n ASN 31 N -5.37 2.03 -0.06 1.42 2.85 -0.80 -3.94 115.26 111.39 2dhx n ASN 31 Ca 0.02 1.01 -0.05 0.00 -0.11 0.00 0.00 54.58 55.46 2dhx n ASN 31 Cb 0.28 -1.47 -0.03 0.00 1.24 0.00 0.00 39.78 39.80 2dhx n ASN 31 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2dhx h ARG 32 N 1.57 0.00 -0.73 1.20 3.08 -1.81 -3.05 114.38 114.64 2dhx h ARG 32 Ca -0.48 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.73 2dhx h ARG 32 Cb 1.32 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.24 2dhx h ARG 32 CO 0.57 0.21 0.04 0.00 -1.07 0.00 0.00 179.97 179.72 2dhx h ARG 33 N -1.00 0.13 0.22 0.04 3.08 -1.92 0.42 114.38 115.34 2dhx h ARG 33 Ca -0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dhx h ARG 33 Cb 0.35 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2dhx h ARG 33 CO -0.01 0.09 -0.34 0.00 -1.07 0.00 0.00 179.97 178.63 2dhx h ARG 34 N 0.13 -0.57 0.00 0.04 2.47 -1.82 -3.42 114.38 111.20 2dhx h ARG 34 Ca 0.40 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.16 2dhx h ARG 34 Cb 0.69 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 2dhx h ARG 34 CO -0.61 -0.38 -0.03 -1.13 0.56 0.00 0.00 179.97 178.38 2dhx n SER 35 N -4.44 0.24 0.00 7.04 3.41 -0.69 -5.02 113.62 114.16 2dhx n SER 35 Ca -0.07 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2dhx n SER 35 Cb 0.29 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2dhx n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dhx n GLY 36 N 3.16 0.05 0.00 5.00 0.00 0.14 -4.79 105.19 108.74 2dhx n GLY 36 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 5.27 0.00 -0.02 0.00 -1.24 -3.96 105.19 105.25 2dhx n GLY 37 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 2.46 5.46 3.55 -0.02 0.00 -1.25 -4.60 105.19 110.79 2dhx n GLY 38 Ca 0.00 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 2.16 2.96 -0.13 1.61 0.04 -1.26 -4.16 135.00 136.23 2dhx s PRO 39 Ca 0.00 -0.09 -0.38 0.00 0.04 0.00 0.00 61.00 60.57 2dhx s PRO 39 Cb 0.00 -4.56 -0.15 0.00 0.04 0.00 0.00 34.50 29.83 2dhx s PRO 39 CO 0.00 -2.54 1.68 0.28 0.04 0.00 0.00 177.00 176.46 2dhx n VAL 40 N 6.96 0.29 0.37 -0.36 0.31 -1.26 -3.74 118.33 120.90 2dhx n VAL 40 Ca 0.19 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.29 2dhx n VAL 40 Cb 0.50 -1.32 -0.09 0.00 -0.91 0.00 0.00 33.84 32.02 2dhx n VAL 40 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2dhx h LEU 41 N 7.05 -0.78 -8.31 7.52 7.12 -1.71 -3.46 115.31 122.74 2dhx h LEU 41 Ca -0.47 0.02 -0.18 0.00 0.13 0.00 0.00 57.88 57.38 2dhx h LEU 41 Cb 1.31 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 41.59 2dhx h LEU 41 CO 0.92 -0.55 0.01 -0.55 -0.13 0.00 0.00 178.44 178.14 2dhx s SER 42 N -4.39 0.58 -0.23 1.25 0.15 -1.21 -5.02 113.70 104.83 2dhx s SER 42 Ca -0.18 -1.37 -0.03 0.00 0.70 0.00 0.00 55.95 55.07 2dhx s SER 42 Cb 0.03 0.75 0.13 0.00 -1.71 0.00 0.00 66.02 65.22 2dhx s SER 42 CO 0.61 -1.48 0.38 0.86 1.20 0.00 0.00 173.24 174.81 2dhx s TRP 43 N -2.69 -0.80 -0.62 3.44 -0.00 -1.26 -2.12 118.94 114.89 2dhx s TRP 43 Ca 0.24 0.93 -0.16 0.00 -0.00 0.00 0.00 56.10 57.12 2dhx s TRP 43 Cb -0.02 0.05 0.15 0.00 -0.00 0.00 0.00 33.47 33.65 2dhx s TRP 43 CO 0.17 -0.67 0.58 -1.14 -0.00 0.00 0.00 176.95 175.89 2dhx s GLN 44 N 2.55 3.16 0.10 5.86 2.00 0.14 -5.00 119.66 128.47 2dhx s GLN 44 Ca 0.10 -1.91 -0.30 0.00 -2.00 0.00 0.00 55.36 51.25 2dhx s GLN 44 Cb -0.15 -4.34 -0.06 0.00 0.80 0.00 0.00 33.01 29.26 2dhx s GLN 44 CO -0.15 -1.32 1.21 0.50 -0.50 0.00 0.00 175.29 175.02 2dhx s ARG 45 N 1.23 4.45 0.00 1.67 3.52 -1.26 -0.07 118.95 128.49 2dhx s ARG 45 Ca 0.07 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.49 2dhx s ARG 45 Cb -0.24 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 2dhx s ARG 45 CO -0.00 -0.21 0.00 1.28 -0.81 0.00 0.00 175.30 175.56 2dhx n LEU 46 N 3.52 0.00 -0.13 -0.88 4.77 0.21 -4.87 117.00 119.62 2dhx n LEU 46 Ca 0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 2dhx n LEU 46 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2dhx n LEU 46 CO 0.56 -0.15 0.38 0.61 -1.33 0.00 0.00 177.39 177.46 2dhx n GLY 47 N 5.00 -2.26 0.01 -0.72 0.00 -1.26 -4.14 105.19 101.83 2dhx n GLY 47 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 2.10 1.14 0.00 0.00 0.00 -1.26 -4.37 105.19 102.79 2dhx n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.75 3.00 3.69 -0.02 0.00 -0.42 0.67 105.19 116.87 2dhx n GLY 50 Ca 0.00 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.96 5.18 0.20 1.61 1.01 0.90 -0.26 120.40 127.08 2dhx s VAL 51 Ca 0.00 0.85 0.07 0.00 0.00 0.00 0.00 61.98 62.90 2dhx s VAL 51 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2dhx s VAL 51 CO 0.00 0.28 0.05 -0.22 0.00 0.00 0.00 175.10 175.20 2dhx s LEU 52 N 1.05 3.44 -0.05 3.92 0.20 0.27 0.26 118.68 127.76 2dhx s LEU 52 Ca 0.23 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.71 2dhx s LEU 52 Cb -0.15 -2.05 -0.00 0.00 -0.43 0.00 0.00 46.19 43.56 2dhx s LEU 52 CO 0.09 0.05 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.13 2dhx s THR 53 N -1.90 1.50 -0.23 3.68 2.01 -0.90 0.12 115.64 119.92 2dhx s THR 53 Ca 0.29 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 2dhx s THR 53 Cb -0.09 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 2dhx s THR 53 CO 0.20 0.43 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.18 2dhx s PHE 54 N 0.16 2.99 0.20 4.92 0.40 0.05 -1.96 117.98 124.74 2dhx s PHE 54 Ca -0.07 -0.97 -0.20 0.00 -0.60 0.00 0.00 56.93 55.09 2dhx s PHE 54 Cb -0.13 -2.12 0.16 0.00 0.51 0.00 0.00 43.02 41.44 2dhx s PHE 54 CO 0.03 -0.56 1.47 -2.13 0.70 0.00 0.00 175.22 174.74 2dhx n ARG 55 N 4.80 -0.27 -3.92 0.44 0.63 -1.25 -4.32 116.66 112.77 2dhx n ARG 55 Ca -0.18 1.46 -0.30 0.00 -0.92 0.00 0.00 57.85 57.91 2dhx n ARG 55 Cb 0.50 -2.16 -0.04 0.00 0.45 0.00 0.00 32.46 31.21 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 -5.80 3.43 -0.08 -0.14 2.02 -1.26 -4.84 118.70 112.03 2dhx s GLU 56 Ca -0.13 -0.46 -0.25 0.00 0.02 0.00 0.00 54.97 54.15 2dhx s GLU 56 Cb 0.17 -3.03 -0.21 0.00 0.10 0.00 0.00 34.13 31.17 2dhx s GLU 56 CO 0.66 0.60 0.93 -1.00 0.02 0.00 0.00 175.26 176.47 2dhx h PRO 57 N 2.97 -0.04 -0.77 0.39 0.13 -1.96 -2.70 132.00 130.02 2dhx h PRO 57 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2dhx h PRO 57 Cb 1.16 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2dhx h PRO 57 CO 0.75 0.63 0.50 0.00 -0.23 0.00 0.00 178.00 179.66 2dhx h ALA 58 N 0.08 0.98 -0.06 -0.56 0.00 -1.96 0.26 119.26 118.00 2dhx h ALA 58 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2dhx h ALA 58 Cb 0.69 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dhx h ALA 58 CO 0.01 0.37 0.05 -0.44 0.00 0.00 0.00 179.25 179.23 2dhx h ASP 59 N 1.02 0.00 0.13 0.00 5.19 -1.87 0.44 116.42 121.33 2dhx h ASP 59 Ca 0.28 -0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.47 2dhx h ASP 59 Cb -0.10 -0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.44 2dhx h ASP 59 CO -0.07 0.00 -0.95 0.00 -3.12 0.00 0.00 179.24 175.10 2dhx h ALA 60 N 1.97 -0.06 -0.58 3.45 0.00 -0.63 -3.27 119.26 120.13 2dhx h ALA 60 Ca 0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 2dhx h ALA 60 Cb 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2dhx h ALA 60 CO -0.00 0.47 0.28 0.93 0.00 0.00 0.00 179.25 180.93 2dhx h GLU 61 N -0.14 0.84 0.00 0.00 4.39 0.54 -0.69 114.58 119.52 2dhx h GLU 61 Ca -0.16 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2dhx h GLU 61 Cb 1.71 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2dhx h GLU 61 CO 0.18 0.68 0.14 0.00 -1.16 0.00 0.00 179.01 178.84 2dhx h ARG 62 N 0.79 0.00 0.06 2.33 3.08 -0.25 0.36 114.38 120.75 2dhx h ARG 62 Ca 0.20 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.93 2dhx h ARG 62 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2dhx h ARG 62 CO -0.03 0.00 -1.78 0.28 -1.07 0.00 0.00 179.97 177.37 2dhx n VAL 63 N -2.61 1.65 -0.22 2.04 0.31 -0.37 -4.17 118.33 114.96 2dhx n VAL 63 Ca -0.02 -0.38 -0.02 0.00 -0.01 0.00 0.00 64.34 63.91 2dhx n VAL 63 Cb 0.18 -1.85 0.18 0.00 -0.91 0.00 0.00 33.84 31.44 2dhx n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dhx h LEU 64 N -0.44 0.91 -1.96 7.52 3.38 0.03 -1.81 115.31 122.94 2dhx h LEU 64 Ca -0.43 -0.10 0.57 0.00 0.09 0.00 0.00 57.88 58.02 2dhx h LEU 64 Cb 1.71 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.14 2dhx h LEU 64 CO -0.08 0.77 1.41 0.00 0.09 0.00 0.00 178.44 180.63 2dhx n ALA 65 N -2.43 1.88 -2.54 1.53 0.00 0.11 -3.64 120.51 115.42 2dhx n ALA 65 Ca 0.07 0.66 -0.42 0.00 0.00 0.00 0.00 53.44 53.75 2dhx n ALA 65 Cb 0.13 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 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 -4.85 3.48 0.00 0.00 0.74 -0.68 -4.89 119.66 113.45 2dhx s GLN 66 Ca -0.05 -0.22 0.23 0.00 0.05 0.00 0.00 55.36 55.37 2dhx s GLN 66 Cb 0.27 -3.87 1.38 0.00 1.10 0.00 0.00 33.01 31.88 2dhx s GLN 66 CO 0.89 -0.81 1.85 0.00 -0.55 0.00 0.00 175.29 176.67 2dhx n ALA 67 N 5.99 2.58 -2.65 1.58 0.00 -1.24 -4.73 120.51 122.04 2dhx n ALA 67 Ca -0.03 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 2dhx n ALA 67 Cb 0.48 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.78 1.92 -0.19 0.00 2.15 -1.26 -4.80 116.67 112.71 2dhx s ASP 68 Ca 0.35 -0.63 -0.16 0.00 0.43 0.00 0.00 52.55 52.54 2dhx s ASP 68 Cb 0.16 -0.08 0.05 0.00 -0.30 0.00 0.00 42.92 42.75 2dhx s ASP 68 CO 0.27 -0.03 0.50 -1.00 -0.17 0.00 0.00 175.17 174.73 2dhx s HIS 69 N -1.21 -0.60 -0.14 -5.34 3.76 -1.24 -5.00 115.29 105.51 2dhx s HIS 69 Ca 0.01 1.40 0.01 0.00 -0.15 0.00 0.00 55.06 56.32 2dhx s HIS 69 Cb -0.10 0.24 0.02 0.00 1.11 0.00 0.00 32.58 33.85 2dhx s HIS 69 CO 0.03 -0.30 -0.15 -2.00 -0.85 0.00 0.00 174.74 171.46 2dhx s GLU 70 N 0.60 2.32 -0.29 1.40 2.12 -1.26 -1.44 118.70 122.16 2dhx s GLU 70 Ca -0.03 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 2dhx s GLU 70 Cb -0.05 -2.06 0.12 0.00 0.26 0.00 0.00 34.13 32.40 2dhx s GLU 70 CO -0.04 -0.17 0.22 -1.17 -0.54 0.00 0.00 175.26 173.56 2dhx s LEU 71 N 1.29 0.11 -0.87 2.70 2.96 -1.08 -4.89 118.68 118.89 2dhx s LEU 71 Ca 0.01 -1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 52.90 2dhx s LEU 71 Cb -0.14 0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 2dhx s LEU 71 CO -0.07 -0.41 0.74 1.41 -1.32 0.00 0.00 176.35 176.70 2dhx n HIS 72 N 5.28 -1.78 -3.22 5.38 8.25 -1.26 -4.00 115.22 123.87 2dhx n HIS 72 Ca -0.04 0.70 -0.20 0.00 -0.26 0.00 0.00 57.72 57.92 2dhx n HIS 72 Cb 0.44 -4.10 0.02 0.00 1.12 0.00 0.00 29.99 27.47 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 -1.19 -0.77 3.65 -1.41 0.00 -1.26 -5.01 105.19 99.20 2dhx n GLY 73 Ca -0.15 1.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.91 2dhx n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhx s ALA 74 N -2.29 -2.34 -0.62 4.61 0.00 -1.26 -5.08 121.76 114.79 2dhx s ALA 74 Ca 0.24 1.78 -0.21 0.00 0.00 0.00 0.00 51.96 53.77 2dhx s ALA 74 Cb -0.04 -1.82 0.08 0.00 0.00 0.00 0.00 23.12 21.34 2dhx s ALA 74 CO 0.82 -0.17 0.83 -0.65 0.00 0.00 0.00 175.76 176.59 2dhx s GLN 75 N 0.34 3.09 0.00 0.00 -0.21 -1.25 -2.65 119.66 118.98 2dhx s GLN 75 Ca 0.03 -1.03 -0.29 0.00 0.02 0.00 0.00 55.36 54.08 2dhx s GLN 75 Cb -0.04 -4.23 -0.03 0.00 1.00 0.00 0.00 33.01 29.71 2dhx s GLN 75 CO -0.14 -1.65 0.96 -0.51 -2.12 0.00 0.00 175.29 171.83 2dhx s LEU 76 N 3.37 4.37 -0.59 2.90 2.01 -0.52 -4.83 118.68 125.39 2dhx s LEU 76 Ca 0.17 1.63 -0.18 0.00 0.01 0.00 0.00 54.13 55.76 2dhx s LEU 76 Cb -0.20 -3.53 0.11 0.00 0.01 0.00 0.00 46.19 42.58 2dhx s LEU 76 CO 0.09 -0.24 0.67 -0.44 1.01 0.00 0.00 176.35 177.44 2dhx s SER 77 N 0.94 6.19 0.17 2.29 0.01 0.49 -3.70 113.70 120.09 2dhx s SER 77 Ca 0.51 -1.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.06 2dhx s SER 77 Cb -0.21 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.66 2dhx s SER 77 CO 0.27 -1.07 0.68 -0.76 0.41 0.00 0.00 173.24 172.77 2dhx s LEU 78 N 2.48 4.41 0.13 2.44 2.01 -1.26 0.48 118.68 129.38 2dhx s LEU 78 Ca 0.10 1.37 -0.15 0.00 0.01 0.00 0.00 54.13 55.46 2dhx s LEU 78 Cb -0.25 -3.37 0.03 0.00 0.01 0.00 0.00 46.19 42.61 2dhx s LEU 78 CO 0.05 0.11 0.39 -0.13 1.01 0.00 0.00 176.35 177.78 2dhx s ARG 79 N -1.70 1.10 -0.32 1.70 0.52 0.36 -4.95 118.95 115.65 2dhx s ARG 79 Ca 0.39 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 2dhx s ARG 79 Cb -0.18 0.46 0.00 0.00 0.52 0.00 0.00 34.95 35.75 2dhx s ARG 79 CO 0.21 -0.43 1.36 -1.25 0.02 0.00 0.00 175.30 175.22 2dhx s PRO 80 N -3.83 3.80 0.83 3.54 0.04 -1.26 0.49 135.00 138.61 2dhx s PRO 80 Ca 0.05 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 2dhx s PRO 80 Cb 0.02 -3.94 0.09 0.00 0.04 0.00 0.00 34.50 30.72 2dhx s PRO 80 CO -0.10 -1.27 1.11 0.00 0.04 0.00 0.00 177.00 176.78 2dhx s ALA 81 N 4.77 1.90 0.63 8.56 0.00 -1.23 -4.65 121.76 131.73 2dhx s ALA 81 Ca 0.59 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 2dhx s ALA 81 Cb -0.17 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2dhx s ALA 81 CO 0.26 -2.16 1.05 -1.25 0.00 0.00 0.00 175.76 173.66 2dhx s PRO 82 N -4.82 3.21 -0.68 0.00 0.04 -1.26 -4.87 135.00 126.62 2dhx s PRO 82 Ca 0.63 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 2dhx s PRO 82 Cb -0.19 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 2dhx s PRO 82 CO 0.57 -0.89 2.64 -0.35 0.04 0.00 0.00 177.00 179.01 2dhx n PRO 83 N -2.46 2.21 0.00 0.56 -0.04 -1.26 -4.47 135.00 129.54 2dhx n PRO 83 Ca 0.08 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 2dhx n PRO 83 Cb 0.53 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2dhx n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dhx n ARG 84 N 3.35 0.00 -4.25 0.54 0.63 -1.26 -4.98 116.66 110.70 2dhx n ARG 84 Ca 0.47 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 57.20 2dhx n ARG 84 Cb 0.40 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.20 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 1.56 0.56 5.13 0.00 -1.26 -5.14 121.76 122.60 2dhx s ALA 85 Ca 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 2dhx s ALA 85 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2dhx s ALA 85 CO 0.00 0.22 1.05 -1.25 0.00 0.00 0.00 175.76 175.77 2dhx s PRO 86 N -2.18 3.51 -0.16 0.00 0.04 -1.26 -5.05 135.00 129.89 2dhx s PRO 86 Ca 0.06 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.33 2dhx s PRO 86 Cb -0.08 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.42 2dhx s PRO 86 CO 0.04 -0.65 -0.18 0.00 0.04 0.00 0.00 177.00 176.25 2dhx s ALA 87 N -2.34 2.12 -0.30 8.56 0.00 -1.26 -5.07 121.76 123.47 2dhx s ALA 87 Ca 0.64 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 2dhx s ALA 87 Cb -0.16 -1.11 0.18 0.00 0.00 0.00 0.00 23.12 22.03 2dhx s ALA 87 CO 0.32 -0.34 1.07 0.50 0.00 0.00 0.00 175.76 177.30 2dhx s ARG 88 N 1.34 0.21 -0.41 0.00 3.52 -1.26 -5.08 118.95 117.27 2dhx s ARG 88 Ca 0.04 0.49 0.05 0.00 -0.13 0.00 0.00 55.73 56.18 2dhx s ARG 88 Cb -0.13 0.29 0.31 0.00 -1.56 0.00 0.00 34.95 33.86 2dhx s ARG 88 CO -0.11 -0.11 1.21 1.47 -0.81 0.00 0.00 175.30 176.94 2dhx n LEU 89 N 5.01 -1.94 -3.29 -0.88 -0.00 -1.26 -5.08 117.00 109.57 2dhx n LEU 89 Ca -0.08 -2.90 -0.10 0.00 -0.00 0.00 0.00 56.01 52.93 2dhx n LEU 89 Cb 0.53 0.92 -0.05 0.00 -0.00 0.00 0.00 43.42 44.83 2dhx n LEU 89 CO -0.06 1.87 -0.06 -1.48 -0.00 0.00 0.00 177.39 177.66 2dhx s LEU 90 N -1.62 -0.63 0.03 1.47 2.34 -1.26 -5.04 118.68 113.96 2dhx s LEU 90 Ca 0.23 -1.32 -0.09 0.00 0.06 0.00 0.00 54.13 53.00 2dhx s LEU 90 Cb 0.28 1.12 -0.04 0.00 -0.56 0.00 0.00 46.19 47.00 2dhx s LEU 90 CO -0.12 -0.21 1.14 -0.07 -1.06 0.00 0.00 176.35 176.02 2dhx h LEU 91 N 6.93 -0.41 -2.71 1.48 -0.00 -2.07 -3.47 115.31 115.05 2dhx h LEU 91 Ca 0.06 0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.88 2dhx h LEU 91 Cb 1.10 0.15 0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2dhx h LEU 91 CO 0.16 -0.14 -0.83 0.00 -0.00 0.00 0.00 178.44 177.62 2dhx n GLN 92 N -3.23 -2.25 0.00 1.13 6.02 -1.26 -5.02 117.38 112.77 2dhx n GLN 92 Ca -0.02 1.92 0.00 0.00 -0.01 0.00 0.00 57.00 58.89 2dhx n GLN 92 Cb 0.10 -4.17 0.00 0.00 1.02 0.00 0.00 30.24 27.19 2dhx n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dhx n GLY 93 N 0.07 2.95 3.94 1.08 0.00 -1.26 -5.16 105.19 106.81 2dhx n GLY 93 Ca 0.03 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 4.05 0.89 0.99 2.01 -1.26 -5.10 118.68 120.26 2dhx s LEU 94 Ca 0.00 0.41 -0.12 0.00 0.01 0.00 0.00 54.13 54.43 2dhx s LEU 94 Cb 0.00 -3.26 0.12 0.00 0.01 0.00 0.00 46.19 43.06 2dhx s LEU 94 CO 0.00 -0.26 1.13 -2.16 1.01 0.00 0.00 176.35 176.07 2dhx s PRO 95 N -4.25 1.34 0.68 1.29 0.04 -1.26 -5.04 135.00 127.81 2dhx s PRO 95 Ca 0.39 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 2dhx s PRO 95 Cb -0.10 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2dhx s PRO 95 CO 0.35 -2.07 1.06 -1.25 0.04 0.00 0.00 177.00 175.13 2dhx s PRO 96 N -5.26 3.00 0.00 0.56 0.04 -1.26 -4.99 135.00 127.09 2dhx s PRO 96 Ca 0.63 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2dhx s PRO 96 Cb -0.15 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dhx s PRO 96 CO 0.53 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2dhx n GLY 97 N -1.90 -1.63 3.00 0.56 0.00 -1.26 -5.18 105.19 98.78 2dhx n GLY 97 Ca 0.08 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.65 2dhx n GLY 97 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dhx s THR 98 N 0.00 0.11 0.00 2.61 -1.32 -1.26 -5.15 115.64 110.62 2dhx s THR 98 Ca 0.00 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 2dhx s THR 98 Cb 0.00 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 2dhx s THR 98 CO 0.00 -0.49 0.00 -0.24 -2.21 0.00 0.00 174.62 171.68 2dhx n SER 99 N 1.56 0.00 -3.71 8.08 2.88 -1.26 -5.13 113.62 116.04 2dhx n SER 99 Ca -0.24 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.01 2dhx n SER 99 Cb 0.55 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.87 2dhx n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dhx s GLY 100 N 0.00 1.18 -0.56 0.46 0.00 -1.26 -5.08 107.32 102.05 2dhx s GLY 100 Ca 0.00 -1.87 -0.28 0.00 0.00 0.00 0.00 44.72 42.58 2dhx s GLY 100 CO 0.00 1.63 1.50 2.56 0.00 0.00 0.00 173.10 178.79 2dhx s PRO 101 N 1.33 3.21 -0.26 2.90 0.04 -1.26 -4.98 135.00 135.98 2dhx s PRO 101 Ca 0.12 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 61.55 2dhx s PRO 101 Cb -0.19 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 2dhx s PRO 101 CO -0.18 -2.05 0.23 0.45 0.04 0.00 0.00 177.00 175.48 2dhx s SER 102 N 5.01 6.12 0.18 6.66 0.15 -1.26 -5.05 113.70 125.53 2dhx s SER 102 Ca 0.55 0.12 -0.23 0.00 0.70 0.00 0.00 55.95 57.09 2dhx s SER 102 Cb -0.12 -2.14 0.05 0.00 -1.71 0.00 0.00 66.02 62.11 2dhx s SER 102 CO 0.24 -0.04 0.75 -0.44 1.20 0.00 0.00 173.24 174.96 2dhx s SER 103 N 1.45 -0.35 0.00 5.45 0.01 -1.26 -5.36 113.70 113.64 2dhx s SER 103 Ca 0.09 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2dhx s SER 103 Cb -0.15 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2dhx s SER 103 CO 0.08 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.28