#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 -0.77 -0.35 1.61 0.15 -1.26 -5.10 113.70 107.99 2dhx s SER 2 Ca 0.00 1.33 -0.05 0.00 0.70 0.00 0.00 55.95 57.93 2dhx s SER 2 Cb 0.00 1.87 0.19 0.00 -1.71 0.00 0.00 66.02 66.37 2dhx s SER 2 CO 0.00 -0.22 0.96 -0.55 1.20 0.00 0.00 173.24 174.62 2dhx s SER 3 N 2.74 -0.61 0.00 5.45 0.15 -1.26 -5.17 113.70 115.01 2dhx s SER 3 Ca -0.04 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2dhx s SER 3 Cb -0.12 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2dhx s SER 3 CO -0.16 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dhx n GLY 4 N 3.65 3.08 1.57 9.45 0.00 -1.26 -5.10 105.19 116.59 2dhx n GLY 4 Ca 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2dhx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhx n SER 5 N -0.84 0.19 -2.36 1.61 2.88 -1.26 -5.12 113.62 108.73 2dhx n SER 5 Ca 0.00 0.17 -0.04 0.00 -1.33 0.00 0.00 58.87 57.67 2dhx n SER 5 Cb 0.00 0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 2dhx n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dhx n SER 6 N -3.10 -2.00 0.00 -3.46 7.64 -1.26 -4.79 113.62 106.65 2dhx n SER 6 Ca 0.00 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2dhx n SER 6 Cb 0.11 -4.56 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 2dhx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 7 N 1.45 0.50 1.57 0.23 0.00 -1.26 -4.89 105.19 102.78 2dhx n GLY 7 Ca -0.29 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.52 3.01 -0.02 0.00 -1.26 -4.99 105.19 100.40 2dhx n GLY 8 Ca 0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.13 0.60 0.02 1.61 1.01 -1.25 -4.91 120.40 115.34 2dhx s VAL 9 Ca 0.31 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2dhx s VAL 9 Cb -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2dhx s VAL 9 CO 0.22 0.10 -0.06 0.00 0.00 0.00 0.00 175.10 175.36 2dhx s ALA 10 N -0.32 0.49 -0.11 5.51 0.00 -1.26 -1.41 121.76 124.65 2dhx s ALA 10 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2dhx s ALA 10 Cb -0.04 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2dhx s ALA 10 CO -0.00 0.05 -0.03 0.08 0.00 0.00 0.00 175.76 175.85 2dhx s VAL 11 N -0.70 0.73 -0.26 0.00 1.01 0.48 -2.95 120.40 118.72 2dhx s VAL 11 Ca -0.04 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2dhx s VAL 11 Cb -0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2dhx s VAL 11 CO 0.00 0.26 1.34 -0.70 0.00 0.00 0.00 175.10 176.00 2dhx s GLU 12 N 1.82 3.97 -0.13 2.72 -6.30 0.36 -0.61 118.70 120.54 2dhx s GLU 12 Ca 0.04 1.40 -0.05 0.00 -2.50 0.00 0.00 54.97 53.86 2dhx s GLU 12 Cb -0.13 -3.88 -0.04 0.00 0.00 0.00 0.00 34.13 30.09 2dhx s GLU 12 CO -0.07 -1.05 0.07 0.08 0.02 0.00 0.00 175.26 174.31 2dhx s VAL 13 N 4.29 4.89 0.02 3.70 1.01 -0.33 -0.97 120.40 133.02 2dhx s VAL 13 Ca 0.58 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2dhx s VAL 13 Cb -0.19 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2dhx s VAL 13 CO 0.22 0.57 -0.04 0.00 0.00 0.00 0.00 175.10 175.85 2dhx s ARG 14 N -0.56 0.34 -0.00 2.72 1.70 0.48 -1.33 118.95 122.30 2dhx s ARG 14 Ca 0.11 -0.60 -0.00 0.00 -0.47 0.00 0.00 55.73 54.77 2dhx s ARG 14 Cb -0.12 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.27 2dhx s ARG 14 CO 0.02 -0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.63 2dhx n GLY 15 N 1.69 0.82 3.35 3.88 0.00 -1.26 0.11 105.19 113.78 2dhx n GLY 15 Ca -0.23 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.27 2.91 0.44 0.99 2.96 -1.24 -4.15 118.68 119.32 2dhx s LEU 16 Ca 0.00 -0.34 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 2dhx s LEU 16 Cb -0.00 -1.72 -0.09 0.00 0.50 0.00 0.00 46.19 44.88 2dhx s LEU 16 CO 0.00 0.05 1.05 -2.16 -1.32 0.00 0.00 176.35 173.96 2dhx s PRO 17 N 1.09 3.98 0.18 0.98 0.04 -1.26 -4.39 135.00 135.61 2dhx s PRO 17 Ca 0.01 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.52 2dhx s PRO 17 Cb -0.15 -2.32 0.05 0.00 0.04 0.00 0.00 34.50 32.12 2dhx s PRO 17 CO -0.01 -0.29 1.42 -1.00 0.04 0.00 0.00 177.00 177.16 2dhx h PRO 18 N 2.03 0.22 -1.21 0.56 0.13 -1.95 -3.10 132.00 128.69 2dhx h PRO 18 Ca -0.49 -0.22 0.35 0.00 -0.87 0.00 0.00 66.00 64.77 2dhx h PRO 18 Cb 1.22 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 2dhx h PRO 18 CO 0.61 0.92 0.85 0.00 -0.23 0.00 0.00 178.00 180.14 2dhx h ALA 19 N 1.01 2.95 -2.53 -0.56 0.00 -2.01 -3.36 119.26 114.77 2dhx h ALA 19 Ca -0.04 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.28 2dhx h ALA 19 Cb 1.41 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 2dhx h ALA 19 CO 0.13 -1.33 0.21 0.08 0.00 0.00 0.00 179.25 178.33 2dhx s VAL 20 N -5.08 4.98 0.73 0.00 1.01 -1.17 -5.05 120.40 115.81 2dhx s VAL 20 Ca -0.06 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 2dhx s VAL 20 Cb 0.24 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2dhx s VAL 20 CO 0.81 0.10 1.07 -2.16 0.00 0.00 0.00 175.10 174.92 2dhx s PRO 21 N 1.84 2.68 0.23 2.72 0.04 -1.26 -4.92 135.00 136.33 2dhx s PRO 21 Ca 0.33 0.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.17 2dhx s PRO 21 Cb -0.16 -1.97 0.22 0.00 0.04 0.00 0.00 34.50 32.63 2dhx s PRO 21 CO 0.12 -1.26 1.81 0.38 0.04 0.00 0.00 177.00 178.09 2dhx h ASP 22 N -0.83 1.05 -1.00 6.66 2.03 -1.96 -2.77 116.42 119.60 2dhx h ASP 22 Ca -0.45 -0.15 0.14 0.00 -0.73 0.00 0.00 57.03 55.84 2dhx h ASP 22 Cb 1.23 -0.27 -0.15 0.00 -0.83 0.00 0.00 39.33 39.31 2dhx h ASP 22 CO 0.57 0.92 -0.44 1.21 -1.03 0.00 0.00 179.24 180.47 2dhx n GLU 23 N -4.29 -0.29 0.06 4.15 2.13 -1.26 -0.07 120.64 121.06 2dhx n GLU 23 Ca 0.07 1.53 -0.13 0.00 0.66 0.00 0.00 57.16 59.29 2dhx n GLU 23 Cb 0.17 -2.26 -0.08 0.00 0.27 0.00 0.00 31.44 29.54 2dhx n GLU 23 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2dhx h LEU 24 N 0.00 -0.08 -1.00 4.31 3.38 -1.91 0.73 115.31 120.76 2dhx h LEU 24 Ca 0.30 -0.14 0.37 0.00 0.09 0.00 0.00 57.88 58.49 2dhx h LEU 24 Cb 0.54 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.13 2dhx h LEU 24 CO -0.98 0.09 0.37 0.25 0.09 0.00 0.00 178.44 178.27 2dhx h LEU 25 N -0.24 0.06 0.00 1.67 5.85 -0.21 0.58 115.31 123.02 2dhx h LEU 25 Ca -0.01 0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 2dhx h LEU 25 Cb 0.21 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2dhx h LEU 25 CO 0.02 -0.40 -0.45 0.71 -0.34 0.00 0.00 178.44 177.97 2dhx h THR 26 N 0.02 1.29 -1.55 1.05 1.35 -0.30 -2.77 112.91 112.01 2dhx h THR 26 Ca 0.76 -2.14 0.46 0.00 -0.55 0.00 0.00 66.41 64.95 2dhx h THR 26 Cb 1.89 2.60 -0.08 0.00 -1.73 0.00 0.00 68.15 70.83 2dhx h THR 26 CO -0.81 0.44 1.08 0.17 -0.25 0.00 0.00 175.52 176.14 2dhx h LEU 27 N -1.00 0.09 0.00 3.87 8.10 0.31 1.29 115.31 127.96 2dhx h LEU 27 Ca -0.12 0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.91 2dhx h LEU 27 Cb 1.01 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 2dhx h LEU 27 CO -0.07 -0.04 -0.04 0.22 -4.11 0.00 0.00 178.44 174.39 2dhx h TYR 28 N 0.04 0.00 -0.45 0.17 3.20 -0.07 -3.09 116.97 116.77 2dhx h TYR 28 Ca 0.79 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.75 2dhx h TYR 28 Cb 2.94 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 41.13 2dhx h TYR 28 CO -0.00 0.00 -0.11 0.74 -1.64 0.00 0.00 178.16 177.15 2dhx h PHE 29 N -0.48 -0.23 -0.38 -3.82 0.04 -0.92 -1.39 116.94 109.78 2dhx h PHE 29 Ca 0.00 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.89 2dhx h PHE 29 Cb 0.04 0.17 -0.08 0.00 2.20 0.00 0.00 35.95 38.28 2dhx h PHE 29 CO -0.02 -0.19 -0.14 0.93 -0.60 0.00 0.00 178.31 178.30 2dhx h GLU 30 N 0.01 -0.06 -6.83 1.51 5.08 0.14 -3.29 114.58 111.13 2dhx h GLU 30 Ca 0.22 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.01 2dhx h GLU 30 Cb 0.33 0.01 0.15 0.00 0.50 0.00 0.00 28.75 29.75 2dhx h GLU 30 CO -0.46 -0.04 0.23 -1.71 -1.00 0.00 0.00 179.01 176.03 2dhx n ASN 31 N -5.33 1.26 -0.04 1.42 2.85 -0.52 -4.21 115.26 110.69 2dhx n ASN 31 Ca 0.02 0.89 -0.01 0.00 -0.11 0.00 0.00 54.58 55.36 2dhx n ASN 31 Cb 0.24 -1.42 -0.00 0.00 1.24 0.00 0.00 39.78 39.84 2dhx n ASN 31 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2dhx h ARG 32 N 0.90 0.00 -0.84 1.20 9.65 -1.81 -3.19 114.38 120.29 2dhx h ARG 32 Ca -0.48 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 58.56 2dhx h ARG 32 Cb 1.35 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.77 2dhx h ARG 32 CO 0.53 0.00 -0.27 0.00 2.80 0.00 0.00 179.97 183.04 2dhx h ARG 33 N -0.60 -0.03 -0.10 0.20 3.08 -1.93 0.21 114.38 115.21 2dhx h ARG 33 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2dhx h ARG 33 Cb 0.15 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2dhx h ARG 33 CO 0.00 -0.02 -0.16 0.00 -1.07 0.00 0.00 179.97 178.72 2dhx h ARG 34 N -0.03 -0.13 0.00 0.04 2.47 -1.84 -3.42 114.38 111.48 2dhx h ARG 34 Ca 0.37 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2dhx h ARG 34 Cb 0.61 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 2dhx h ARG 34 CO -0.87 -0.08 0.00 -1.13 0.56 0.00 0.00 179.97 178.45 2dhx n SER 35 N -3.47 0.00 0.00 7.04 3.41 -0.48 -5.06 113.62 115.06 2dhx n SER 35 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2dhx n SER 35 Cb 0.10 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 3.21 -0.11 0.00 5.00 0.00 0.60 -4.85 105.19 109.03 2dhx n GLY 36 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 5.46 0.00 -0.02 0.00 -1.24 -4.06 105.19 105.33 2dhx n GLY 37 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 2.91 5.55 3.55 -0.02 0.00 -1.26 -4.68 105.19 111.24 2dhx n GLY 38 Ca 0.00 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 1.60 2.95 -0.34 1.61 0.04 -1.26 -4.18 135.00 135.41 2dhx s PRO 39 Ca 0.00 -0.01 -0.42 0.00 0.04 0.00 0.00 61.00 60.61 2dhx s PRO 39 Cb 0.00 -4.48 -0.17 0.00 0.04 0.00 0.00 34.50 29.89 2dhx s PRO 39 CO 0.00 -2.51 1.73 0.28 0.04 0.00 0.00 177.00 176.54 2dhx n VAL 40 N 6.92 0.22 0.18 -0.36 0.31 -1.26 -3.51 118.33 120.83 2dhx n VAL 40 Ca 0.17 -0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.31 2dhx n VAL 40 Cb 0.50 -1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 32.31 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 6.87 -0.51 -8.18 7.52 6.46 -0.90 -3.45 115.31 123.12 2dhx h LEU 41 Ca -0.44 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.30 2dhx h LEU 41 Cb 1.33 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 41.36 2dhx h LEU 41 CO 0.97 -0.31 0.03 -0.55 -0.62 0.00 0.00 178.44 177.96 2dhx s SER 42 N -4.78 0.04 -0.10 1.25 0.15 -0.99 -4.97 113.70 104.30 2dhx s SER 42 Ca -0.16 -0.98 -0.05 0.00 0.70 0.00 0.00 55.95 55.46 2dhx s SER 42 Cb 0.06 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 2dhx s SER 42 CO 0.64 -1.32 0.23 0.86 1.20 0.00 0.00 173.24 174.86 2dhx s TRP 43 N -3.53 -0.31 -0.36 3.44 -0.00 -1.26 -1.18 118.94 115.74 2dhx s TRP 43 Ca 0.20 0.74 0.02 0.00 -0.00 0.00 0.00 56.10 57.06 2dhx s TRP 43 Cb -0.03 0.04 0.11 0.00 -0.00 0.00 0.00 33.47 33.59 2dhx s TRP 43 CO 0.11 -0.22 0.12 -1.14 -0.00 0.00 0.00 176.95 175.82 2dhx s GLN 44 N 1.17 1.17 -0.09 5.86 0.74 -0.27 -5.02 119.66 123.22 2dhx s GLN 44 Ca -0.09 -1.63 -0.30 0.00 0.05 0.00 0.00 55.36 53.40 2dhx s GLN 44 Cb -0.10 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.41 2dhx s GLN 44 CO -0.08 -1.01 1.40 0.50 -0.55 0.00 0.00 175.29 175.56 2dhx s ARG 45 N 1.00 4.23 0.00 1.67 3.52 -1.26 -1.08 118.95 127.04 2dhx s ARG 45 Ca 0.12 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 2dhx s ARG 45 Cb -0.20 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 2dhx s ARG 45 CO -0.13 -0.71 0.00 1.28 -0.81 0.00 0.00 175.30 174.93 2dhx n LEU 46 N 6.44 0.00 0.00 -0.88 4.77 0.28 -4.87 117.00 122.73 2dhx n LEU 46 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2dhx n LEU 46 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2dhx n LEU 46 CO 0.58 -0.16 0.05 0.61 -1.33 0.00 0.00 177.39 177.15 2dhx n GLY 47 N 5.00 -1.03 0.00 -0.72 0.00 -1.26 -3.94 105.19 103.24 2dhx n GLY 47 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.72 0.32 0.00 0.00 0.00 -1.24 -3.62 105.19 99.94 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 4.24 4.09 3.70 -0.02 0.00 -0.44 0.98 105.19 117.73 2dhx n GLY 50 Ca 0.00 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 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 0.08 1.61 1.01 -0.24 -1.19 120.40 124.69 2dhx s VAL 51 Ca 0.00 1.40 0.05 0.00 0.00 0.00 0.00 61.98 63.43 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 -0.03 -0.22 0.00 0.00 0.00 175.10 175.04 2dhx s LEU 52 N 1.22 3.32 -0.19 3.92 0.20 0.22 -1.12 118.68 126.26 2dhx s LEU 52 Ca 0.35 -0.22 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 2dhx s LEU 52 Cb -0.17 -2.05 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 2dhx s LEU 52 CO 0.15 0.20 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.40 2dhx s THR 53 N -1.24 2.81 -0.37 3.68 2.01 -0.32 0.18 115.64 122.40 2dhx s THR 53 Ca 0.23 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.39 2dhx s THR 53 Cb -0.11 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.17 2dhx s THR 53 CO 0.15 0.49 0.31 -0.36 -0.69 0.00 0.00 174.62 174.52 2dhx s PHE 54 N 1.17 3.22 0.32 4.92 0.40 -0.50 -0.23 117.98 127.28 2dhx s PHE 54 Ca 0.02 -0.28 0.12 0.00 -0.60 0.00 0.00 56.93 56.18 2dhx s PHE 54 Cb -0.14 -2.60 1.02 0.00 0.51 0.00 0.00 43.02 41.80 2dhx s PHE 54 CO -0.05 -0.48 1.46 -2.13 0.70 0.00 0.00 175.22 174.73 2dhx n ARG 55 N 5.25 -0.06 -5.16 0.44 0.63 -1.23 -3.91 116.66 112.61 2dhx n ARG 55 Ca -0.11 1.33 -0.32 0.00 -0.92 0.00 0.00 57.85 57.83 2dhx n ARG 55 Cb 0.49 -2.26 -0.16 0.00 0.45 0.00 0.00 32.46 30.97 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 -5.63 2.78 0.14 -0.14 2.02 -1.26 -4.76 118.70 111.84 2dhx s GLU 56 Ca -0.10 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 53.99 2dhx s GLU 56 Cb 0.30 -2.28 -0.06 0.00 0.10 0.00 0.00 34.13 32.19 2dhx s GLU 56 CO 0.72 0.33 1.33 -1.00 0.02 0.00 0.00 175.26 176.67 2dhx h PRO 57 N 6.24 0.46 -0.68 0.39 0.13 -1.95 -1.51 132.00 135.07 2dhx h PRO 57 Ca -0.29 -0.44 -0.03 0.00 -0.87 0.00 0.00 66.00 64.37 2dhx h PRO 57 Cb 1.19 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2dhx h PRO 57 CO 0.48 1.09 0.32 0.00 -0.23 0.00 0.00 178.00 179.67 2dhx h ALA 58 N 0.76 1.28 0.00 -0.56 0.00 -1.95 0.74 119.26 119.54 2dhx h ALA 58 Ca -0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2dhx h ALA 58 Cb 1.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dhx h ALA 58 CO 0.15 0.55 -0.42 -0.44 0.00 0.00 0.00 179.25 179.10 2dhx h ASP 59 N 0.97 0.00 0.07 0.00 3.32 -1.86 -3.17 116.42 115.75 2dhx h ASP 59 Ca 0.24 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.05 2dhx h ASP 59 Cb 0.11 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.68 2dhx h ASP 59 CO -0.03 0.42 -0.99 0.00 -1.72 0.00 0.00 179.24 176.93 2dhx h ALA 60 N 1.58 0.02 -0.48 3.45 0.00 -0.10 -3.24 119.26 120.49 2dhx h ALA 60 Ca -0.00 -0.70 0.09 0.00 0.00 0.00 0.00 54.91 54.30 2dhx h ALA 60 Cb 1.26 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2dhx h ALA 60 CO 0.05 0.55 0.06 0.93 0.00 0.00 0.00 179.25 180.84 2dhx h GLU 61 N 0.11 0.17 -0.65 0.00 4.39 0.43 0.24 114.58 119.27 2dhx h GLU 61 Ca -0.14 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.68 2dhx h GLU 61 Cb 1.69 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.26 2dhx h GLU 61 CO 0.19 0.12 0.44 -0.09 -1.16 0.00 0.00 179.01 178.51 2dhx h ARG 62 N 0.18 0.32 -0.03 2.33 9.65 -1.61 0.99 114.38 126.20 2dhx h ARG 62 Ca 0.24 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.88 2dhx h ARG 62 Cb 0.34 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2dhx h ARG 62 CO -0.35 0.21 -0.90 0.28 2.80 0.00 0.00 179.97 182.01 2dhx h VAL 63 N 0.33 1.36 -0.20 0.20 2.07 -0.68 -3.24 116.25 116.10 2dhx h VAL 63 Ca 0.31 -2.30 -0.11 0.00 0.82 0.00 0.00 66.70 65.42 2dhx h VAL 63 Cb 0.77 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2dhx h VAL 63 CO -0.08 0.70 -0.32 -0.07 0.02 0.00 0.00 177.57 177.82 2dhx h LEU 64 N 0.30 0.62 -1.62 2.57 3.38 0.18 -2.95 115.31 117.79 2dhx h LEU 64 Ca -0.08 -0.53 0.51 0.00 0.09 0.00 0.00 57.88 57.88 2dhx h LEU 64 Cb 1.53 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.99 2dhx h LEU 64 CO 0.16 1.03 1.11 0.00 0.09 0.00 0.00 178.44 180.83 2dhx n ALA 65 N -2.49 1.58 -2.72 1.53 0.00 0.31 -3.38 120.51 115.33 2dhx n ALA 65 Ca -0.06 0.75 -0.44 0.00 0.00 0.00 0.00 53.44 53.70 2dhx n ALA 65 Cb 0.48 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 2dhx n ALA 65 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dhx s GLN 66 N -5.01 3.14 0.00 0.00 -0.21 -1.12 -4.88 119.66 111.58 2dhx s GLN 66 Ca -0.06 -0.82 0.25 0.00 0.02 0.00 0.00 55.36 54.75 2dhx s GLN 66 Cb 0.28 -4.07 1.47 0.00 1.00 0.00 0.00 33.01 31.69 2dhx s GLN 66 CO 0.83 -1.18 1.84 0.00 -2.12 0.00 0.00 175.29 174.66 2dhx n ALA 67 N 6.16 2.42 -2.35 6.09 0.00 -1.22 -4.66 120.51 126.95 2dhx n ALA 67 Ca -0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 2dhx n ALA 67 Cb 0.46 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.01 3.14 -0.16 0.00 -1.08 -1.26 -4.64 116.67 110.67 2dhx s ASP 68 Ca 0.37 -0.45 -0.11 0.00 -0.52 0.00 0.00 52.55 51.84 2dhx s ASP 68 Cb 0.17 -0.42 0.05 0.00 -1.46 0.00 0.00 42.92 41.26 2dhx s ASP 68 CO 0.29 0.32 0.39 -1.00 0.52 0.00 0.00 175.17 175.69 2dhx s HIS 69 N -0.60 -0.50 -0.14 -5.34 3.76 -1.23 -5.01 115.29 106.22 2dhx s HIS 69 Ca 0.09 1.15 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 2dhx s HIS 69 Cb -0.10 0.20 0.01 0.00 1.11 0.00 0.00 32.58 33.80 2dhx s HIS 69 CO -0.01 -0.27 -0.21 -2.00 -0.85 0.00 0.00 174.74 171.40 2dhx s GLU 70 N 0.82 2.92 -0.27 1.40 2.12 -1.26 -1.02 118.70 123.41 2dhx s GLU 70 Ca -0.05 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 2dhx s GLU 70 Cb -0.06 -2.39 0.12 0.00 0.26 0.00 0.00 34.13 32.06 2dhx s GLU 70 CO -0.06 -0.05 0.24 -1.17 -0.54 0.00 0.00 175.26 173.68 2dhx s LEU 71 N 0.91 -0.04 -0.88 2.70 2.96 -1.08 -4.93 118.68 118.32 2dhx s LEU 71 Ca -0.05 -0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 53.10 2dhx s LEU 71 Cb -0.15 0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.81 2dhx s LEU 71 CO -0.04 -0.38 0.78 1.41 -1.32 0.00 0.00 176.35 176.80 2dhx n HIS 72 N 5.30 -2.71 -3.25 5.38 8.25 -1.26 -4.07 115.22 122.87 2dhx n HIS 72 Ca -0.04 0.99 -0.12 0.00 -0.26 0.00 0.00 57.72 58.29 2dhx n HIS 72 Cb 0.46 -4.03 0.01 0.00 1.12 0.00 0.00 29.99 27.55 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 -1.57 -0.27 0.00 -1.41 0.00 -1.26 -4.98 105.19 95.71 2dhx n GLY 73 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.76 0.00 -2.51 4.61 0.00 -1.26 -5.04 120.51 117.07 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 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2dhx n ALA 74 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2dhx s GLN 75 N -0.92 3.21 -0.07 0.00 -2.07 -1.26 -2.64 119.66 115.91 2dhx s GLN 75 Ca 0.00 -0.52 -0.19 0.00 -1.82 0.00 0.00 55.36 52.83 2dhx s GLN 75 Cb 0.00 -3.95 -0.04 0.00 -1.09 0.00 0.00 33.01 27.92 2dhx s GLN 75 CO 0.00 -0.94 0.54 -0.51 -1.32 0.00 0.00 175.29 173.06 2dhx s LEU 76 N 2.54 4.33 -0.50 2.60 2.01 -0.19 -4.74 118.68 124.74 2dhx s LEU 76 Ca 0.18 0.97 -0.19 0.00 0.01 0.00 0.00 54.13 55.11 2dhx s LEU 76 Cb -0.15 -2.81 0.06 0.00 0.01 0.00 0.00 46.19 43.29 2dhx s LEU 76 CO 0.17 0.02 0.62 -0.44 1.01 0.00 0.00 176.35 177.73 2dhx s SER 77 N 0.36 6.22 -0.09 2.29 0.01 0.30 -3.56 113.70 119.24 2dhx s SER 77 Ca 0.29 -0.91 -0.15 0.00 1.31 0.00 0.00 55.95 56.49 2dhx s SER 77 Cb -0.16 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2dhx s SER 77 CO 0.14 -0.88 0.39 -0.76 0.41 0.00 0.00 173.24 172.54 2dhx s LEU 78 N 2.60 4.34 0.14 2.44 2.01 -1.26 -0.38 118.68 128.57 2dhx s LEU 78 Ca 0.15 0.77 -0.15 0.00 0.01 0.00 0.00 54.13 54.92 2dhx s LEU 78 Cb -0.19 -2.55 0.03 0.00 0.01 0.00 0.00 46.19 43.48 2dhx s LEU 78 CO 0.12 0.16 0.39 -0.13 1.01 0.00 0.00 176.35 177.89 2dhx s ARG 79 N -0.08 1.11 -0.28 1.70 0.52 -0.14 -4.88 118.95 116.89 2dhx s ARG 79 Ca 0.22 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 2dhx s ARG 79 Cb -0.15 0.46 -0.00 0.00 0.52 0.00 0.00 34.95 35.77 2dhx s ARG 79 CO 0.09 -0.43 1.34 -1.25 0.02 0.00 0.00 175.30 175.07 2dhx s PRO 80 N -3.84 3.91 0.87 3.54 0.04 -1.26 0.14 135.00 138.40 2dhx s PRO 80 Ca 0.06 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 2dhx s PRO 80 Cb 0.02 -3.89 0.12 0.00 0.04 0.00 0.00 34.50 30.78 2dhx s PRO 80 CO -0.09 -1.13 1.10 0.00 0.04 0.00 0.00 177.00 176.92 2dhx s ALA 81 N 4.45 1.66 -0.33 8.56 0.00 -1.15 -4.60 121.76 130.35 2dhx s ALA 81 Ca 0.58 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 2dhx s ALA 81 Cb -0.18 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2dhx s ALA 81 CO 0.24 -2.32 1.36 -1.25 0.00 0.00 0.00 175.76 173.79 2dhx s PRO 82 N -4.83 3.80 1.08 0.00 0.04 -1.26 -4.86 135.00 128.97 2dhx s PRO 82 Ca 0.64 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.68 2dhx s PRO 82 Cb -0.19 -3.94 0.26 0.00 0.04 0.00 0.00 34.50 30.67 2dhx s PRO 82 CO 0.57 -1.27 1.19 -0.35 0.04 0.00 0.00 177.00 177.18 2dhx n PRO 83 N 7.58 -2.18 -2.68 0.56 -0.04 -1.26 -4.78 135.00 132.20 2dhx n PRO 83 Ca 0.16 -1.87 -0.03 0.00 -0.04 0.00 0.00 63.50 61.72 2dhx n PRO 83 Cb 0.47 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 -4.27 -3.55 -0.59 0.54 3.00 -1.26 -4.87 116.66 105.66 2dhx n ARG 84 Ca 0.16 2.73 0.07 0.00 -0.00 0.00 0.00 57.85 60.80 2dhx n ARG 84 Cb 0.57 -3.64 -0.04 0.00 0.00 0.00 0.00 32.46 29.35 2dhx n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dhx n ALA 85 N 1.99 -1.55 0.03 5.13 0.00 -1.26 -4.68 120.51 120.17 2dhx n ALA 85 Ca -0.25 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 2dhx n ALA 85 Cb 0.38 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2dhx n ALA 85 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dhx h PRO 86 N -0.58 0.60 -5.80 0.00 0.13 -1.89 -3.48 132.00 120.98 2dhx h PRO 86 Ca -0.08 -0.58 -0.02 0.00 -0.87 0.00 0.00 66.00 64.45 2dhx h PRO 86 Cb 0.56 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2dhx h PRO 86 CO 0.03 1.20 -0.99 0.00 -0.23 0.00 0.00 178.00 178.01 2dhx n ALA 87 N -2.59 -2.71 -2.61 -0.56 0.00 -1.26 -4.94 120.51 105.84 2dhx n ALA 87 Ca -0.08 0.30 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 2dhx n ALA 87 Cb 0.81 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 19.15 2dhx n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dhx s ARG 88 N -1.45 0.90 0.35 0.00 0.52 -1.26 -5.05 118.95 112.96 2dhx s ARG 88 Ca 0.04 -1.08 -0.28 0.00 -0.52 0.00 0.00 55.73 53.89 2dhx s ARG 88 Cb -0.01 -0.84 -0.10 0.00 0.52 0.00 0.00 34.95 34.52 2dhx s ARG 88 CO 0.43 0.17 1.33 -1.17 0.02 0.00 0.00 175.30 176.09 2dhx s LEU 89 N -2.05 4.38 -0.01 2.53 0.20 -1.26 -5.02 118.68 117.44 2dhx s LEU 89 Ca 0.03 2.73 0.08 0.00 0.69 0.00 0.00 54.13 57.66 2dhx s LEU 89 Cb -0.08 -3.69 -0.02 0.00 -0.43 0.00 0.00 46.19 41.97 2dhx s LEU 89 CO 0.02 -0.63 -0.26 -0.22 -0.29 0.00 0.00 176.35 174.98 2dhx s LEU 90 N -1.94 2.06 -0.34 -0.68 2.96 -1.26 -5.05 118.68 114.43 2dhx s LEU 90 Ca 0.51 -0.48 -0.36 0.00 -0.22 0.00 0.00 54.13 53.58 2dhx s LEU 90 Cb -0.40 -1.32 -0.12 0.00 0.50 0.00 0.00 46.19 44.85 2dhx s LEU 90 CO 0.54 0.31 2.15 0.18 -1.32 0.00 0.00 176.35 178.21 2dhx n LEU 91 N 2.39 2.11 -3.16 -0.68 7.99 -1.26 -4.86 117.00 119.52 2dhx n LEU 91 Ca -0.16 0.49 0.03 0.00 -0.01 0.00 0.00 56.01 56.36 2dhx n LEU 91 Cb 0.51 -1.24 -0.00 0.00 -0.11 0.00 0.00 43.42 42.58 2dhx n LEU 91 CO 0.23 -0.69 0.09 -1.58 -1.51 0.00 0.00 177.39 173.93 2dhx s GLN 92 N 5.97 0.57 0.00 3.23 0.74 -1.26 -5.13 119.66 123.78 2dhx s GLN 92 Ca 1.09 0.49 0.00 0.00 0.05 0.00 0.00 55.36 56.99 2dhx s GLN 92 Cb -0.90 0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.43 2dhx s GLN 92 CO 0.51 -1.06 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 2dhx n GLY 93 N 5.36 1.13 3.84 2.59 0.00 -1.26 -5.16 105.19 111.69 2dhx n GLY 93 Ca 0.05 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 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 3.91 0.97 0.99 2.01 -1.26 -5.07 118.68 120.23 2dhx s LEU 94 Ca 0.00 1.44 -0.14 0.00 0.01 0.00 0.00 54.13 55.44 2dhx s LEU 94 Cb 0.00 -4.29 0.17 0.00 0.01 0.00 0.00 46.19 42.08 2dhx s LEU 94 CO 0.00 -0.35 1.16 -2.16 1.01 0.00 0.00 176.35 176.01 2dhx s PRO 95 N -3.36 0.68 0.96 1.29 0.04 -1.26 -5.06 135.00 128.29 2dhx s PRO 95 Ca 0.57 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.59 2dhx s PRO 95 Cb -0.10 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.81 2dhx s PRO 95 CO 0.20 -2.48 1.16 -1.25 0.04 0.00 0.00 177.00 174.68 2dhx s PRO 96 N -5.40 0.73 -0.34 0.56 0.04 -1.26 -5.06 135.00 124.27 2dhx s PRO 96 Ca 0.67 0.13 -0.06 0.00 0.04 0.00 0.00 61.00 61.79 2dhx s PRO 96 Cb -0.12 -1.81 0.23 0.00 0.04 0.00 0.00 34.50 32.84 2dhx s PRO 96 CO 0.54 -2.44 1.14 0.41 0.04 0.00 0.00 177.00 176.68 2dhx n GLY 97 N -2.27 -1.70 3.22 0.56 0.00 -1.26 -5.16 105.19 98.59 2dhx n GLY 97 Ca 0.09 1.21 -0.29 0.00 0.00 0.00 0.00 46.02 47.03 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 0.75 1.77 0.05 2.61 -4.23 -1.26 -5.12 115.64 110.21 2dhx s THR 98 Ca 0.24 -0.93 -0.27 0.00 -1.18 0.00 0.00 61.69 59.55 2dhx s THR 98 Cb 0.15 -1.49 0.09 0.00 1.34 0.00 0.00 72.50 72.59 2dhx s THR 98 CO -0.10 0.50 0.92 -0.94 -0.54 0.00 0.00 174.62 174.46 2dhx s SER 99 N -0.25 -0.29 0.00 3.99 1.04 -1.26 -5.15 113.70 111.79 2dhx s SER 99 Ca 0.01 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2dhx s SER 99 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2dhx s SER 99 CO 0.02 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2dhx n GLY 100 N -0.33 0.80 3.79 7.32 0.00 -1.26 -5.17 105.19 110.33 2dhx n GLY 100 Ca -0.08 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 2dhx n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhx s PRO 101 N -0.02 1.08 -0.14 1.61 0.04 -1.26 -5.09 135.00 131.21 2dhx s PRO 101 Ca 0.00 0.26 -0.29 0.00 0.04 0.00 0.00 61.00 61.01 2dhx s PRO 101 Cb 0.00 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.79 2dhx s PRO 101 CO 0.00 -2.24 0.76 0.45 0.04 0.00 0.00 177.00 176.02 2dhx s SER 102 N -4.05 -0.62 0.14 6.66 0.15 -1.26 -5.06 113.70 109.66 2dhx s SER 102 Ca 0.64 0.86 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2dhx s SER 102 Cb -0.14 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2dhx s SER 102 CO 0.53 -0.45 0.00 -0.24 1.20 0.00 0.00 173.24 174.28 2dhx n SER 103 N 1.40 -1.28 0.00 5.45 2.88 -1.26 -5.38 113.62 115.43 2dhx n SER 103 Ca -0.16 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 2dhx n SER 103 Cb 0.57 1.50 0.00 0.00 -0.75 0.00 0.00 64.21 65.52 2dhx n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42