#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 4.64 -0.25 1.61 0.15 -1.26 -4.71 113.70 113.89 2dhx s SER 2 Ca 0.00 -0.33 -0.19 0.00 0.70 0.00 0.00 55.95 56.13 2dhx s SER 2 Cb 0.00 -0.97 0.03 0.00 -1.71 0.00 0.00 66.02 63.37 2dhx s SER 2 CO 0.00 0.16 0.34 -0.24 1.20 0.00 0.00 173.24 174.70 2dhx n SER 3 N 0.52 -6.20 0.00 5.45 2.88 -1.26 -4.73 113.62 110.28 2dhx n SER 3 Ca -0.12 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2dhx n SER 3 Cb 0.53 -1.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 2dhx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhx n GLY 4 N 0.50 -0.96 1.38 0.46 0.00 -1.26 -5.16 105.19 100.14 2dhx n GLY 4 Ca -0.04 0.43 0.18 0.00 0.00 0.00 0.00 46.02 46.60 2dhx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dhx n SER 5 N 0.00 -8.26 -2.88 1.61 7.64 -1.26 -4.97 113.62 105.49 2dhx n SER 5 Ca 0.00 0.89 -0.05 0.00 1.01 0.00 0.00 58.87 60.72 2dhx n SER 5 Cb 0.00 -4.40 0.01 0.00 -1.01 0.00 0.00 64.21 58.81 2dhx n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dhx n SER 6 N -4.20 -7.63 0.00 6.43 7.64 -1.26 -4.95 113.62 109.65 2dhx n SER 6 Ca -0.03 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.79 2dhx n SER 6 Cb 0.64 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 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 0.46 -0.88 0.00 0.23 0.00 -1.26 -4.87 105.19 98.86 2dhx n GLY 7 Ca 0.03 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 0.44 2.90 -0.02 0.00 -1.26 -4.90 105.19 102.36 2dhx n GLY 8 Ca 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.02 -0.00 1.61 1.01 -1.25 -4.96 120.40 116.83 2dhx s VAL 9 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2dhx s VAL 9 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 2dhx s VAL 9 CO 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 175.10 174.94 2dhx s ALA 10 N -0.33 0.36 -0.14 5.51 0.00 -1.26 -1.61 121.76 124.29 2dhx s ALA 10 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 2dhx s ALA 10 Cb -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2dhx s ALA 10 CO -0.00 0.08 -0.08 0.08 0.00 0.00 0.00 175.76 175.84 2dhx s VAL 11 N -0.13 1.17 -0.43 0.00 1.01 0.50 -3.61 120.40 118.93 2dhx s VAL 11 Ca 0.01 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 2dhx s VAL 11 Cb -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2dhx s VAL 11 CO -0.00 0.30 1.50 -0.70 0.00 0.00 0.00 175.10 176.20 2dhx s GLU 12 N 1.63 3.45 0.03 2.72 2.12 0.43 0.04 118.70 129.13 2dhx s GLU 12 Ca 0.03 0.95 -0.17 0.00 0.36 0.00 0.00 54.97 56.14 2dhx s GLU 12 Cb -0.14 -4.09 -0.06 0.00 0.26 0.00 0.00 34.13 30.11 2dhx s GLU 12 CO -0.08 -1.72 0.48 0.08 -0.54 0.00 0.00 175.26 173.48 2dhx s VAL 13 N 5.95 4.91 0.02 3.70 1.01 0.14 -0.81 120.40 135.32 2dhx s VAL 13 Ca 0.64 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.64 2dhx s VAL 13 Cb -0.15 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2dhx s VAL 13 CO 0.31 0.55 -0.06 -0.60 0.00 0.00 0.00 175.10 175.31 2dhx s ARG 14 N -1.00 0.43 -0.29 2.72 3.52 0.27 -1.29 118.95 123.31 2dhx s ARG 14 Ca 0.26 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 2dhx s ARG 14 Cb -0.18 -0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 32.91 2dhx s ARG 14 CO 0.16 0.07 0.27 0.41 -0.81 0.00 0.00 175.30 175.39 2dhx n GLY 15 N 2.20 -0.34 2.84 8.12 0.00 -1.03 0.19 105.19 117.18 2dhx n GLY 15 Ca -0.18 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.09 1.07 0.42 0.99 2.96 -1.25 -3.93 118.68 115.85 2dhx s LEU 16 Ca 0.06 -0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 53.63 2dhx s LEU 16 Cb -0.01 -0.43 -0.09 0.00 0.50 0.00 0.00 46.19 46.17 2dhx s LEU 16 CO 0.26 -0.11 1.05 -2.16 -1.32 0.00 0.00 176.35 174.07 2dhx s PRO 17 N 1.28 4.08 0.15 0.98 0.04 -1.26 -3.73 135.00 136.54 2dhx s PRO 17 Ca -0.05 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 2dhx s PRO 17 Cb -0.14 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 2dhx s PRO 17 CO -0.02 -0.21 1.36 -1.00 0.04 0.00 0.00 177.00 177.17 2dhx h PRO 18 N 2.29 0.39 -0.97 0.56 0.13 -2.00 -3.22 132.00 129.18 2dhx h PRO 18 Ca -0.49 -0.38 0.29 0.00 -0.87 0.00 0.00 66.00 64.56 2dhx h PRO 18 Cb 1.22 0.10 -0.17 0.00 0.13 0.00 0.00 31.00 32.27 2dhx h PRO 18 CO 0.62 1.04 0.16 0.00 -0.23 0.00 0.00 178.00 179.58 2dhx h ALA 19 N 0.84 1.36 -2.42 -0.56 0.00 -2.01 -3.36 119.26 113.11 2dhx h ALA 19 Ca -0.06 0.31 -0.54 0.00 0.00 0.00 0.00 54.91 54.62 2dhx h ALA 19 Cb 1.46 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2dhx h ALA 19 CO 0.15 -0.62 0.71 0.08 0.00 0.00 0.00 179.25 179.57 2dhx s VAL 20 N -5.91 3.85 0.89 0.00 1.01 -1.22 -5.01 120.40 114.01 2dhx s VAL 20 Ca -0.12 1.27 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 2dhx s VAL 20 Cb 0.29 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.98 2dhx s VAL 20 CO 0.78 0.04 1.13 -2.16 0.00 0.00 0.00 175.10 174.89 2dhx s PRO 21 N 1.79 1.34 0.44 2.72 0.04 -1.26 -4.95 135.00 135.12 2dhx s PRO 21 Ca 0.61 0.36 0.24 0.00 0.04 0.00 0.00 61.00 62.26 2dhx s PRO 21 Cb -0.30 -1.86 0.81 0.00 0.04 0.00 0.00 34.50 33.19 2dhx s PRO 21 CO 0.27 -2.08 1.78 0.38 0.04 0.00 0.00 177.00 177.39 2dhx h ASP 22 N -1.41 0.00 -0.01 6.66 2.03 -1.95 -2.93 116.42 118.80 2dhx h ASP 22 Ca -0.50 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 55.83 2dhx h ASP 22 Cb 1.32 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.78 2dhx h ASP 22 CO 0.61 0.20 -0.19 -0.33 -1.03 0.00 0.00 179.24 178.50 2dhx h GLU 23 N 0.00 -0.28 -0.07 4.15 5.08 -1.99 -0.99 114.58 120.47 2dhx h GLU 23 Ca -0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2dhx h GLU 23 Cb 0.82 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2dhx h GLU 23 CO 0.03 -0.19 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.76 2dhx h LEU 24 N -0.30 0.13 -0.98 1.33 3.38 -1.94 0.17 115.31 117.10 2dhx h LEU 24 Ca 0.06 -0.36 0.28 0.00 0.09 0.00 0.00 57.88 57.95 2dhx h LEU 24 Cb 0.37 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 40.91 2dhx h LEU 24 CO -0.18 0.47 0.08 0.25 0.09 0.00 0.00 178.44 179.15 2dhx h LEU 25 N -0.20 -0.38 0.01 1.67 5.85 -1.30 0.59 115.31 121.55 2dhx h LEU 25 Ca 0.02 0.27 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 2dhx h LEU 25 Cb 0.41 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2dhx h LEU 25 CO 0.01 -0.35 -0.00 0.71 -0.34 0.00 0.00 178.44 178.46 2dhx h THR 26 N 0.02 1.59 -1.47 1.05 1.35 -1.02 -2.57 112.91 111.87 2dhx h THR 26 Ca 0.62 -2.03 0.43 0.00 -0.55 0.00 0.00 66.41 64.88 2dhx h THR 26 Cb 1.32 2.93 -0.08 0.00 -1.73 0.00 0.00 68.15 70.59 2dhx h THR 26 CO -0.89 0.51 1.03 0.17 -0.25 0.00 0.00 175.52 176.08 2dhx h LEU 27 N -0.91 0.09 0.01 3.87 8.10 0.21 1.55 115.31 128.23 2dhx h LEU 27 Ca -0.00 0.04 -0.00 0.00 0.11 0.00 0.00 57.88 58.02 2dhx h LEU 27 Cb 0.84 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.09 2dhx h LEU 27 CO 0.00 -0.03 -0.00 0.22 -4.11 0.00 0.00 178.44 174.52 2dhx h TYR 28 N 0.05 -0.01 -0.72 0.17 3.20 0.02 -2.37 116.97 117.31 2dhx h TYR 28 Ca 0.75 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.83 2dhx h TYR 28 Cb 2.77 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 41.01 2dhx h TYR 28 CO -0.00 -0.01 0.53 0.74 -1.64 0.00 0.00 178.16 177.78 2dhx h PHE 29 N -0.37 0.00 -0.07 -3.82 0.04 -0.84 0.54 116.94 112.42 2dhx h PHE 29 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2dhx h PHE 29 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2dhx h PHE 29 CO 0.00 0.00 -0.35 0.93 -0.60 0.00 0.00 178.31 178.30 2dhx h GLU 30 N 0.00 0.36 -6.83 1.51 5.08 0.21 -3.36 114.58 111.55 2dhx h GLU 30 Ca 0.34 -0.29 -0.53 0.00 -1.00 0.00 0.00 59.36 57.88 2dhx h GLU 30 Cb 1.40 0.06 0.07 0.00 0.50 0.00 0.00 28.75 30.78 2dhx h GLU 30 CO -0.00 0.93 0.72 -0.80 -1.00 0.00 0.00 179.01 178.86 2dhx s ASN 31 N -6.43 6.65 -0.03 1.42 0.01 0.18 -4.46 114.94 112.27 2dhx s ASN 31 Ca -0.14 2.74 -0.06 0.00 -0.71 0.00 0.00 52.86 54.69 2dhx s ASN 31 Cb 0.04 -2.64 -0.29 0.00 0.41 0.00 0.00 41.25 38.77 2dhx s ASN 31 CO 0.78 -0.67 0.71 0.08 -1.51 0.00 0.00 177.10 176.50 2dhx h ARG 32 N 4.08 0.31 -0.31 -0.60 0.11 -1.85 -3.14 114.38 112.96 2dhx h ARG 32 Ca -0.48 -0.53 -0.02 0.00 0.10 0.00 0.00 59.98 59.06 2dhx h ARG 32 Cb 1.22 0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.49 2dhx h ARG 32 CO 0.71 1.19 0.13 0.00 0.10 0.00 0.00 179.97 182.10 2dhx h ARG 33 N 0.08 0.47 0.58 0.08 3.08 -1.92 0.52 114.38 117.26 2dhx h ARG 33 Ca -0.31 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 2dhx h ARG 33 Cb 2.06 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.03 2dhx h ARG 33 CO 0.16 0.47 -0.33 0.00 -1.07 0.00 0.00 179.97 179.20 2dhx h ARG 34 N 0.36 -0.81 0.00 0.04 3.08 -1.85 -3.42 114.38 111.78 2dhx h ARG 34 Ca 0.11 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2dhx h ARG 34 Cb 0.17 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2dhx h ARG 34 CO -0.01 -0.54 0.00 0.45 -1.07 0.00 0.00 179.97 178.80 2dhx n SER 35 N -4.42 0.00 0.00 7.04 2.88 -1.19 -5.00 113.62 112.94 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 0.34 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 2.16 0.28 0.00 0.46 0.00 0.17 -4.96 105.19 103.30 2dhx n GLY 36 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 5.04 0.00 -0.02 0.00 -1.26 -3.94 105.19 105.01 2dhx n GLY 37 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 5.11 3.78 -0.02 0.00 -1.26 -4.75 105.19 108.06 2dhx n GLY 38 Ca 0.00 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 1.40 4.22 -0.19 1.61 0.04 -1.26 -4.00 135.00 136.81 2dhx s PRO 39 Ca 0.00 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 2dhx s PRO 39 Cb 0.00 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2dhx s PRO 39 CO 0.00 -0.10 0.18 0.08 0.04 0.00 0.00 177.00 177.20 2dhx s VAL 40 N -1.59 5.37 -0.03 -0.36 1.01 -1.26 -2.21 120.40 121.33 2dhx s VAL 40 Ca 0.56 0.30 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 2dhx s VAL 40 Cb -0.23 -3.52 -0.15 0.00 0.00 0.00 0.00 36.38 32.47 2dhx s VAL 40 CO 0.29 0.41 0.93 0.25 0.00 0.00 0.00 175.10 176.99 2dhx h LEU 41 N 6.76 -0.28 -8.21 3.92 7.12 -1.53 -3.45 115.31 119.65 2dhx h LEU 41 Ca -0.41 -0.25 -0.13 0.00 0.13 0.00 0.00 57.88 57.23 2dhx h LEU 41 Cb 1.16 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.33 2dhx h LEU 41 CO 0.75 0.21 0.10 -0.55 -0.13 0.00 0.00 178.44 178.82 2dhx s SER 42 N -5.27 0.40 -0.13 1.25 0.15 -1.12 -5.02 113.70 103.97 2dhx s SER 42 Ca -0.12 -1.31 -0.08 0.00 0.70 0.00 0.00 55.95 55.14 2dhx s SER 42 Cb 0.01 0.79 0.05 0.00 -1.71 0.00 0.00 66.02 65.16 2dhx s SER 42 CO 0.45 -1.57 0.31 0.86 1.20 0.00 0.00 173.24 174.50 2dhx s TRP 43 N -2.49 -0.41 -0.38 3.44 -0.00 -1.26 -1.47 118.94 116.37 2dhx s TRP 43 Ca 0.21 0.94 0.04 0.00 -0.00 0.00 0.00 56.10 57.29 2dhx s TRP 43 Cb -0.03 0.13 0.11 0.00 -0.00 0.00 0.00 33.47 33.67 2dhx s TRP 43 CO 0.15 -0.25 0.11 -1.14 -0.00 0.00 0.00 176.95 175.83 2dhx s GLN 44 N 1.02 1.53 0.06 5.86 0.74 0.12 -4.99 119.66 124.00 2dhx s GLN 44 Ca -0.07 -2.00 -0.31 0.00 0.05 0.00 0.00 55.36 53.04 2dhx s GLN 44 Cb -0.08 -3.11 -0.06 0.00 1.10 0.00 0.00 33.01 30.87 2dhx s GLN 44 CO -0.07 -0.99 1.19 0.50 -0.55 0.00 0.00 175.29 175.37 2dhx s ARG 45 N 0.65 4.43 -0.33 1.67 3.52 -1.26 0.11 118.95 127.75 2dhx s ARG 45 Ca 0.13 1.76 -0.00 0.00 -0.13 0.00 0.00 55.73 57.49 2dhx s ARG 45 Cb -0.21 -3.35 0.10 0.00 -1.56 0.00 0.00 34.95 29.94 2dhx s ARG 45 CO -0.07 -0.25 0.11 -0.51 -0.81 0.00 0.00 175.30 173.77 2dhx s LEU 46 N 1.05 2.40 0.00 -0.88 1.43 0.35 -4.84 118.68 118.19 2dhx s LEU 46 Ca 0.59 -1.79 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 2dhx s LEU 46 Cb -0.29 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.01 2dhx s LEU 46 CO 0.29 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.09 2dhx n GLY 47 N 4.66 2.91 2.53 -3.19 0.00 -1.26 -1.78 105.19 109.06 2dhx n GLY 47 Ca -0.00 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 2.25 0.17 0.00 0.00 0.00 -0.73 -2.45 105.19 104.43 2dhx n GLY 49 Ca 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 4.20 3.73 -0.02 0.00 -0.41 0.13 105.19 112.82 2dhx n GLY 50 Ca 0.00 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 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 5.19 0.11 1.61 1.01 0.12 0.26 120.40 126.70 2dhx s VAL 51 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 61.98 62.91 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 0.36 -0.02 -0.22 0.00 0.00 0.00 175.10 175.22 2dhx s LEU 52 N 0.46 3.36 -0.19 3.92 0.20 0.11 0.13 118.68 126.67 2dhx s LEU 52 Ca 0.24 -0.26 -0.01 0.00 0.69 0.00 0.00 54.13 54.79 2dhx s LEU 52 Cb -0.15 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 2dhx s LEU 52 CO 0.09 0.16 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.30 2dhx s THR 53 N -1.38 2.78 -0.28 3.68 2.01 -0.54 0.19 115.64 122.10 2dhx s THR 53 Ca 0.25 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 2dhx s THR 53 Cb -0.11 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 2dhx s THR 53 CO 0.18 0.48 0.16 -0.36 -0.69 0.00 0.00 174.62 174.38 2dhx s PHE 54 N 1.30 3.18 0.20 4.92 0.40 -0.63 -1.36 117.98 125.98 2dhx s PHE 54 Ca 0.04 -0.11 -0.23 0.00 -0.60 0.00 0.00 56.93 56.03 2dhx s PHE 54 Cb -0.14 -2.35 0.11 0.00 0.51 0.00 0.00 43.02 41.16 2dhx s PHE 54 CO -0.06 -0.25 1.55 -0.09 0.70 0.00 0.00 175.22 177.07 2dhx h ARG 55 N 8.34 -0.06 -5.48 0.44 2.43 -1.74 -3.32 114.38 115.00 2dhx h ARG 55 Ca -0.35 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.18 2dhx h ARG 55 Cb 1.18 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.58 2dhx h ARG 55 CO 0.57 -0.04 -0.59 -1.21 -1.51 0.00 0.00 179.97 177.19 2dhx s GLU 56 N -5.81 3.63 0.15 0.20 2.02 -1.26 -4.65 118.70 112.98 2dhx s GLU 56 Ca -0.13 -0.38 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 2dhx s GLU 56 Cb 0.16 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 2dhx s GLU 56 CO 0.68 0.41 1.37 -1.00 0.02 0.00 0.00 175.26 176.73 2dhx h PRO 57 N 6.20 0.37 0.03 0.39 0.13 -1.94 -1.94 132.00 135.25 2dhx h PRO 57 Ca -0.40 -0.36 0.01 0.00 -0.87 0.00 0.00 66.00 64.38 2dhx h PRO 57 Cb 1.18 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2dhx h PRO 57 CO 0.64 1.02 -0.06 0.00 -0.23 0.00 0.00 178.00 179.38 2dhx h ALA 58 N 0.86 -0.09 -0.66 -0.56 0.00 -1.95 0.18 119.26 117.04 2dhx h ALA 58 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2dhx h ALA 58 Cb 1.46 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2dhx h ALA 58 CO 0.14 -0.56 0.13 0.38 0.00 0.00 0.00 179.25 179.34 2dhx h ASP 59 N -0.12 1.01 -0.95 0.00 3.04 -1.92 -2.27 116.42 115.21 2dhx h ASP 59 Ca 0.01 -0.22 0.06 0.00 -3.24 0.00 0.00 57.03 53.64 2dhx h ASP 59 Cb 0.13 -0.27 -0.06 0.00 -1.04 0.00 0.00 39.33 38.09 2dhx h ASP 59 CO -0.04 0.99 0.61 0.00 -2.04 0.00 0.00 179.24 178.76 2dhx h ALA 60 N 1.13 1.30 -0.38 4.15 0.00 -0.74 -1.51 119.26 123.22 2dhx h ALA 60 Ca 0.21 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dhx h ALA 60 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2dhx h ALA 60 CO 0.01 0.41 0.23 0.93 0.00 0.00 0.00 179.25 180.82 2dhx h GLU 61 N 1.12 0.45 -0.03 0.00 4.39 -0.09 0.18 114.58 120.60 2dhx h GLU 61 Ca 0.40 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.08 2dhx h GLU 61 Cb 0.13 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2dhx h GLU 61 CO -0.16 0.30 0.04 -0.09 -1.16 0.00 0.00 179.01 177.94 2dhx h ARG 62 N 0.47 0.00 0.21 2.33 1.12 -0.97 0.55 114.38 118.09 2dhx h ARG 62 Ca 0.15 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.67 2dhx h ARG 62 Cb -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 29.97 2dhx h ARG 62 CO -0.06 0.00 -1.67 0.28 -3.11 0.00 0.00 179.97 175.42 2dhx h VAL 63 N 0.00 1.05 -0.34 0.20 2.07 -0.44 -3.34 116.25 115.45 2dhx h VAL 63 Ca 0.01 -2.58 -0.08 0.00 0.82 0.00 0.00 66.70 64.88 2dhx h VAL 63 Cb 0.10 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2dhx h VAL 63 CO -0.00 0.84 -0.10 -0.07 0.02 0.00 0.00 177.57 178.27 2dhx h LEU 64 N 0.12 0.66 -1.90 2.57 3.38 0.82 -2.65 115.31 118.31 2dhx h LEU 64 Ca -0.32 -0.37 0.56 0.00 0.09 0.00 0.00 57.88 57.84 2dhx h LEU 64 Cb 2.13 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.61 2dhx h LEU 64 CO 0.21 0.88 1.36 0.00 0.09 0.00 0.00 178.44 180.99 2dhx n ALA 65 N -2.43 1.83 -2.55 1.53 0.00 0.18 -3.66 120.51 115.40 2dhx n ALA 65 Ca -0.02 0.66 -0.42 0.00 0.00 0.00 0.00 53.44 53.65 2dhx n ALA 65 Cb 0.34 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 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 -4.84 3.53 0.00 0.00 -0.21 -1.00 -4.88 119.66 112.26 2dhx s GLN 66 Ca -0.05 -0.02 0.23 0.00 0.02 0.00 0.00 55.36 55.54 2dhx s GLN 66 Cb 0.27 -3.88 1.39 0.00 1.00 0.00 0.00 33.01 31.79 2dhx s GLN 66 CO 0.87 -0.94 1.84 0.00 -2.12 0.00 0.00 175.29 174.95 2dhx n ALA 67 N 6.38 2.56 -2.41 6.09 0.00 -1.24 -4.70 120.51 127.20 2dhx n ALA 67 Ca 0.01 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 2dhx n ALA 67 Cb 0.48 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.81 2.60 -0.13 0.00 -1.08 -1.26 -4.78 116.67 110.20 2dhx s ASP 68 Ca 0.35 -0.43 -0.05 0.00 -0.52 0.00 0.00 52.55 51.90 2dhx s ASP 68 Cb 0.16 -0.27 0.06 0.00 -1.46 0.00 0.00 42.92 41.41 2dhx s ASP 68 CO 0.27 0.25 0.28 -1.00 0.52 0.00 0.00 175.17 175.49 2dhx s HIS 69 N -0.58 -0.45 -0.16 -5.34 3.76 -1.23 -5.00 115.29 106.28 2dhx s HIS 69 Ca 0.09 1.01 -0.06 0.00 -0.15 0.00 0.00 55.06 55.95 2dhx s HIS 69 Cb -0.09 0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.58 2dhx s HIS 69 CO -0.00 -0.35 0.02 -2.00 -0.85 0.00 0.00 174.74 171.55 2dhx s GLU 70 N 2.31 3.77 -0.33 1.40 2.12 -1.26 -0.54 118.70 126.17 2dhx s GLU 70 Ca -0.00 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 54.95 2dhx s GLU 70 Cb -0.12 -3.06 0.16 0.00 0.26 0.00 0.00 34.13 31.37 2dhx s GLU 70 CO -0.09 0.31 0.42 -1.17 -0.54 0.00 0.00 175.26 174.19 2dhx s LEU 71 N 0.23 -0.61 -1.15 2.70 2.96 -1.01 -4.92 118.68 116.88 2dhx s LEU 71 Ca 0.01 -0.86 -0.00 0.00 -0.22 0.00 0.00 54.13 53.06 2dhx s LEU 71 Cb -0.13 1.00 -0.00 0.00 0.50 0.00 0.00 46.19 47.56 2dhx s LEU 71 CO 0.01 -0.30 0.96 1.41 -1.32 0.00 0.00 176.35 177.11 2dhx n HIS 72 N 4.86 -2.11 -3.00 5.38 8.25 -1.26 -3.76 115.22 123.58 2dhx n HIS 72 Ca 0.05 0.90 -0.04 0.00 -0.26 0.00 0.00 57.72 58.38 2dhx n HIS 72 Cb 0.49 -4.95 0.00 0.00 1.12 0.00 0.00 29.99 26.65 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 -1.13 -1.25 3.57 -1.41 0.00 -1.26 -5.05 105.19 98.66 2dhx n GLY 73 Ca -0.27 0.77 0.01 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.84 -2.58 -0.84 4.61 0.00 -1.25 -5.10 121.76 113.76 2dhx s ALA 74 Ca 0.10 2.06 -0.20 0.00 0.00 0.00 0.00 51.96 53.91 2dhx s ALA 74 Cb -0.03 -1.92 0.11 0.00 0.00 0.00 0.00 23.12 21.28 2dhx s ALA 74 CO 0.76 -0.47 1.08 -0.65 0.00 0.00 0.00 175.76 176.48 2dhx s GLN 75 N 1.43 3.43 0.15 0.00 -0.21 -1.25 -2.41 119.66 120.80 2dhx s GLN 75 Ca -0.07 -1.42 -0.30 0.00 0.02 0.00 0.00 55.36 53.59 2dhx s GLN 75 Cb -0.03 -4.71 -0.07 0.00 1.00 0.00 0.00 33.01 29.20 2dhx s GLN 75 CO -0.13 -1.81 1.07 -0.51 -2.12 0.00 0.00 175.29 171.79 2dhx s LEU 76 N 3.26 4.48 -0.58 2.90 2.01 0.29 -4.87 118.68 126.17 2dhx s LEU 76 Ca 0.29 2.00 -0.19 0.00 0.01 0.00 0.00 54.13 56.25 2dhx s LEU 76 Cb -0.09 -3.60 0.10 0.00 0.01 0.00 0.00 46.19 42.62 2dhx s LEU 76 CO -0.03 -0.20 0.67 -0.44 1.01 0.00 0.00 176.35 177.36 2dhx s SER 77 N 0.01 6.19 0.06 2.29 0.01 0.50 -3.54 113.70 119.22 2dhx s SER 77 Ca 0.49 -1.44 -0.22 0.00 1.31 0.00 0.00 55.95 56.09 2dhx s SER 77 Cb -0.28 -2.29 -0.06 0.00 0.21 0.00 0.00 66.02 63.60 2dhx s SER 77 CO 0.33 -1.06 0.67 -0.76 0.41 0.00 0.00 173.24 172.83 2dhx s LEU 78 N 2.54 4.49 0.08 2.44 2.01 -1.26 0.97 118.68 129.95 2dhx s LEU 78 Ca 0.11 1.36 -0.16 0.00 0.01 0.00 0.00 54.13 55.45 2dhx s LEU 78 Cb -0.24 -3.08 0.03 0.00 0.01 0.00 0.00 46.19 42.91 2dhx s LEU 78 CO 0.06 0.14 0.38 -0.13 1.01 0.00 0.00 176.35 177.82 2dhx s ARG 79 N -0.58 0.96 -0.10 1.70 0.52 0.01 -4.96 118.95 116.51 2dhx s ARG 79 Ca 0.33 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 2dhx s ARG 79 Cb -0.20 0.42 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 2dhx s ARG 79 CO 0.21 -0.35 1.24 -1.25 0.02 0.00 0.00 175.30 175.18 2dhx s PRO 80 N -3.13 4.29 0.78 3.54 0.04 -1.26 0.16 135.00 139.42 2dhx s PRO 80 Ca -0.01 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 2dhx s PRO 80 Cb 0.01 -3.66 0.06 0.00 0.04 0.00 0.00 34.50 30.95 2dhx s PRO 80 CO -0.07 -0.58 1.12 0.00 0.04 0.00 0.00 177.00 177.51 2dhx s ALA 81 N 2.85 2.12 0.18 8.56 0.00 -1.24 -4.58 121.76 129.65 2dhx s ALA 81 Ca 0.56 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2dhx s ALA 81 Cb -0.24 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2dhx s ALA 81 CO 0.19 -1.90 1.12 -1.25 0.00 0.00 0.00 175.76 173.92 2dhx s PRO 82 N -4.60 4.58 0.64 0.00 0.04 -1.26 -4.88 135.00 129.52 2dhx s PRO 82 Ca 0.65 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 63.30 2dhx s PRO 82 Cb -0.20 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 2dhx s PRO 82 CO 0.53 0.05 1.05 -1.25 0.04 0.00 0.00 177.00 177.42 2dhx s PRO 83 N -0.37 3.15 -0.85 0.56 0.04 -1.26 -4.96 135.00 131.30 2dhx s PRO 83 Ca 0.50 1.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 2dhx s PRO 83 Cb -0.30 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.28 2dhx s PRO 83 CO 0.35 -0.94 1.27 0.50 0.04 0.00 0.00 177.00 178.23 2dhx s ARG 84 N -4.59 3.38 0.46 4.56 3.52 -1.26 -4.82 118.95 120.21 2dhx s ARG 84 Ca 0.60 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2dhx s ARG 84 Cb -0.15 -4.72 0.00 0.00 -1.56 0.00 0.00 34.95 28.53 2dhx s ARG 84 CO 0.46 -2.07 0.00 0.00 -0.81 0.00 0.00 175.30 172.88 2dhx n ALA 85 N 8.56 -2.06 -2.44 6.12 0.00 -1.26 -4.56 120.51 124.88 2dhx n ALA 85 Ca 0.16 0.49 -0.42 0.00 0.00 0.00 0.00 53.44 53.67 2dhx n ALA 85 Cb 0.49 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 2dhx n ALA 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dhx s PRO 86 N -4.73 4.34 -0.03 0.00 0.04 -1.26 -4.27 135.00 129.09 2dhx s PRO 86 Ca 0.00 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 2dhx s PRO 86 Cb 0.00 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2dhx s PRO 86 CO 0.00 -0.46 0.03 0.00 0.04 0.00 0.00 177.00 176.61 2dhx n ALA 87 N 5.25 -2.05 -3.15 8.56 0.00 -1.26 -4.99 120.51 122.86 2dhx n ALA 87 Ca 0.11 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.61 2dhx n ALA 87 Cb 0.46 -0.60 -0.00 0.00 0.00 0.00 0.00 19.45 19.31 2dhx n ALA 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dhx s ARG 88 N -1.09 0.59 -0.22 0.00 3.52 -1.26 -5.13 118.95 115.36 2dhx s ARG 88 Ca 0.02 0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.83 2dhx s ARG 88 Cb -0.00 0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.56 2dhx s ARG 88 CO 0.06 -1.00 -0.04 -0.48 -0.81 0.00 0.00 175.30 173.04 2dhx s LEU 89 N 2.51 2.94 -0.49 -0.88 0.05 -1.26 -4.94 118.68 116.61 2dhx s LEU 89 Ca 0.13 -0.41 -0.23 0.00 0.05 0.00 0.00 54.13 53.67 2dhx s LEU 89 Cb -0.07 -1.74 0.03 0.00 -2.05 0.00 0.00 46.19 42.36 2dhx s LEU 89 CO -0.20 -0.03 0.82 -0.22 -0.55 0.00 0.00 176.35 176.18 2dhx s LEU 90 N 1.48 4.27 -0.21 1.48 0.20 -1.26 -4.97 118.68 119.67 2dhx s LEU 90 Ca 0.06 -0.27 -0.43 0.00 0.69 0.00 0.00 54.13 54.18 2dhx s LEU 90 Cb -0.14 -2.87 -0.20 0.00 -0.43 0.00 0.00 46.19 42.54 2dhx s LEU 90 CO -0.03 -1.02 1.31 0.18 -0.29 0.00 0.00 176.35 176.50 2dhx n LEU 91 N 6.91 0.57 -4.39 -0.68 4.32 -1.26 -4.93 117.00 117.54 2dhx n LEU 91 Ca 0.01 1.17 -0.22 0.00 -0.02 0.00 0.00 56.01 56.96 2dhx n LEU 91 Cb 0.48 -0.91 -0.10 0.00 -1.62 0.00 0.00 43.42 41.26 2dhx n LEU 91 CO 0.60 -1.42 -0.47 0.00 -1.22 0.00 0.00 177.39 174.88 2dhx s GLN 92 N 1.30 1.44 -0.28 3.23 -2.07 -1.26 -5.15 119.66 116.87 2dhx s GLN 92 Ca 0.97 -1.60 -0.18 0.00 -1.82 0.00 0.00 55.36 52.73 2dhx s GLN 92 Cb -1.35 -1.42 0.11 0.00 -1.09 0.00 0.00 33.01 29.25 2dhx s GLN 92 CO 0.67 0.27 0.83 0.20 -1.32 0.00 0.00 175.29 175.94 2dhx s GLY 93 N -3.18 -0.34 0.08 2.60 0.00 -1.26 -5.17 107.32 100.04 2dhx s GLY 93 Ca 0.23 2.68 0.02 0.00 0.00 0.00 0.00 44.72 47.66 2dhx s GLY 93 CO 0.10 2.36 0.14 1.08 0.00 0.00 0.00 173.10 176.77 2dhx s LEU 94 N 1.27 4.01 0.97 0.66 2.01 -1.26 -5.11 118.68 121.23 2dhx s LEU 94 Ca -0.07 0.09 -0.14 0.00 0.01 0.00 0.00 54.13 54.01 2dhx s LEU 94 Cb -0.04 -2.66 0.17 0.00 0.01 0.00 0.00 46.19 43.67 2dhx s LEU 94 CO -0.15 0.16 1.17 -2.16 1.01 0.00 0.00 176.35 176.38 2dhx s PRO 95 N -2.51 0.65 0.68 1.29 0.04 -1.26 -5.04 135.00 128.86 2dhx s PRO 95 Ca 0.32 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.34 2dhx s PRO 95 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2dhx s PRO 95 CO 0.24 -2.49 1.06 -1.25 0.04 0.00 0.00 177.00 174.60 2dhx s PRO 96 N -5.42 2.98 -0.32 0.56 0.04 -1.26 -5.06 135.00 126.53 2dhx s PRO 96 Ca 0.67 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 2dhx s PRO 96 Cb -0.12 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.54 2dhx s PRO 96 CO 0.54 -1.06 0.14 0.20 0.04 0.00 0.00 177.00 176.85 2dhx s GLY 97 N -3.69 0.89 -0.13 0.56 0.00 -1.26 -5.10 107.32 98.58 2dhx s GLY 97 Ca 0.59 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 2dhx s GLY 97 CO 0.53 1.84 0.87 -1.08 0.00 0.00 0.00 173.10 175.25 2dhx s THR 98 N 1.60 0.00 -0.23 0.90 -1.32 -1.26 -5.18 115.64 110.15 2dhx s THR 98 Ca 0.11 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.28 2dhx s THR 98 Cb -0.18 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.97 2dhx s THR 98 CO -0.24 0.00 1.24 -0.55 -2.21 0.00 0.00 174.62 172.87 2dhx s SER 99 N -0.96 -0.13 0.00 8.08 0.15 -1.26 -5.15 113.70 114.43 2dhx s SER 99 Ca -0.05 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dhx s SER 99 Cb -0.01 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2dhx s SER 99 CO 0.04 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dhx n GLY 100 N 0.37 1.46 3.77 9.45 0.00 -1.26 -5.17 105.19 113.81 2dhx n GLY 100 Ca -0.02 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.01 -0.04 0.15 1.61 0.04 -1.26 -5.07 135.00 130.40 2dhx s PRO 101 Ca 0.00 -0.16 0.05 0.00 0.04 0.00 0.00 61.00 60.94 2dhx s PRO 101 Cb 0.00 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2dhx s PRO 101 CO 0.00 -2.91 0.09 -1.54 0.04 0.00 0.00 177.00 172.67 2dhx s SER 102 N -4.34 5.32 0.00 6.66 1.04 -1.26 -5.11 113.70 116.01 2dhx s SER 102 Ca 0.71 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2dhx s SER 102 Cb -0.08 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.70 2dhx s SER 102 CO 0.54 0.10 0.00 -0.24 0.98 0.00 0.00 173.24 174.62 2dhx n SER 103 N -0.09 0.00 0.00 7.02 2.88 -1.26 -5.37 113.62 116.80 2dhx n SER 103 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2dhx n SER 103 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2dhx n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42