#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 2.68 -0.12 1.61 0.15 -1.26 -5.12 113.70 111.64 2dhx s SER 2 Ca 0.00 -0.74 0.03 0.00 0.70 0.00 0.00 55.95 55.94 2dhx s SER 2 Cb 0.00 -0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2dhx s SER 2 CO 0.00 -0.32 -0.21 -0.94 1.20 0.00 0.00 173.24 172.96 2dhx s SER 3 N 1.97 3.29 0.00 5.45 1.04 -1.26 -5.05 113.70 119.14 2dhx s SER 3 Ca 0.00 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2dhx s SER 3 Cb -0.17 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.49 2dhx s SER 3 CO -0.08 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2dhx n GLY 4 N 3.65 0.93 2.96 7.32 0.00 -1.26 -5.11 105.19 113.68 2dhx n GLY 4 Ca -0.19 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 2.23 -7.52 -3.62 1.61 2.88 -1.26 -5.01 113.62 102.92 2dhx n SER 5 Ca 0.00 0.50 -0.29 0.00 -1.33 0.00 0.00 58.87 57.75 2dhx n SER 5 Cb 0.00 -4.68 -0.15 0.00 -0.75 0.00 0.00 64.21 58.63 2dhx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dhx s SER 6 N -2.29 3.73 0.00 -3.46 0.15 -1.26 -5.04 113.70 105.53 2dhx s SER 6 Ca 0.25 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.42 2dhx s SER 6 Cb -0.06 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2dhx s SER 6 CO 0.77 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2dhx n GLY 7 N 5.03 -3.36 0.45 9.45 0.00 -1.26 -5.07 105.19 110.43 2dhx n GLY 7 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.10 -3.39 2.95 -0.02 0.00 -1.26 -5.04 105.19 98.34 2dhx n GLY 8 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.89 0.54 0.04 1.61 1.01 -1.26 -4.99 120.40 114.47 2dhx s VAL 9 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2dhx s VAL 9 Cb 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2dhx s VAL 9 CO 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 175.10 175.20 2dhx s ALA 10 N 0.21 0.57 -0.08 5.51 0.00 -1.26 -1.48 121.76 125.24 2dhx s ALA 10 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 2dhx s ALA 10 Cb -0.07 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2dhx s ALA 10 CO -0.00 -0.04 0.10 0.08 0.00 0.00 0.00 175.76 175.90 2dhx s VAL 11 N -1.53 -0.17 -0.31 0.00 1.01 0.33 -3.78 120.40 115.96 2dhx s VAL 11 Ca -0.09 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2dhx s VAL 11 Cb -0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 2dhx s VAL 11 CO -0.00 0.09 1.44 -0.70 0.00 0.00 0.00 175.10 175.93 2dhx s GLU 12 N 2.21 3.76 -0.11 2.72 -6.30 0.50 -0.38 118.70 121.10 2dhx s GLU 12 Ca 0.04 1.28 -0.14 0.00 -2.50 0.00 0.00 54.97 53.65 2dhx s GLU 12 Cb -0.13 -3.98 -0.05 0.00 0.00 0.00 0.00 34.13 29.98 2dhx s GLU 12 CO -0.05 -1.33 0.32 0.08 0.02 0.00 0.00 175.26 174.30 2dhx s VAL 13 N 5.01 5.25 0.04 3.70 1.01 0.20 -0.05 120.40 135.57 2dhx s VAL 13 Ca 0.63 0.62 0.03 0.00 0.00 0.00 0.00 61.98 63.26 2dhx s VAL 13 Cb -0.18 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2dhx s VAL 13 CO 0.28 0.45 -0.10 -0.60 0.00 0.00 0.00 175.10 175.13 2dhx s ARG 14 N -0.04 0.65 -0.21 2.72 3.52 0.26 -1.11 118.95 124.74 2dhx s ARG 14 Ca 0.19 -0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 55.11 2dhx s ARG 14 Cb -0.14 -0.55 -0.00 0.00 -1.56 0.00 0.00 34.95 32.70 2dhx s ARG 14 CO 0.07 0.13 0.19 0.41 -0.81 0.00 0.00 175.30 175.28 2dhx n GLY 15 N 1.83 -0.30 2.88 8.12 0.00 0.01 0.20 105.19 117.94 2dhx n GLY 15 Ca -0.19 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.79 1.22 0.49 0.99 2.96 -1.18 -3.86 118.68 116.51 2dhx s LEU 16 Ca 0.03 -0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 2dhx s LEU 16 Cb -0.00 -0.48 -0.08 0.00 0.50 0.00 0.00 46.19 46.12 2dhx s LEU 16 CO 0.19 -0.08 1.04 -2.16 -1.32 0.00 0.00 176.35 174.02 2dhx s PRO 17 N 1.11 3.78 0.03 0.98 0.04 -1.26 -4.28 135.00 135.40 2dhx s PRO 17 Ca -0.08 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 2dhx s PRO 17 Cb -0.14 -2.09 -0.22 0.00 0.04 0.00 0.00 34.50 32.09 2dhx s PRO 17 CO -0.01 -0.45 1.16 -1.00 0.04 0.00 0.00 177.00 176.74 2dhx h PRO 18 N 1.50 0.50 -1.08 0.56 0.13 -2.00 -3.20 132.00 128.40 2dhx h PRO 18 Ca -0.49 -0.49 0.42 0.00 -0.87 0.00 0.00 66.00 64.57 2dhx h PRO 18 Cb 1.22 0.13 -0.17 0.00 0.13 0.00 0.00 31.00 32.31 2dhx h PRO 18 CO 0.59 1.12 0.62 0.00 -0.23 0.00 0.00 178.00 180.10 2dhx h ALA 19 N 0.38 2.29 -2.26 -0.56 0.00 -2.03 -3.35 119.26 113.74 2dhx h ALA 19 Ca -0.07 0.23 -0.56 0.00 0.00 0.00 0.00 54.91 54.52 2dhx h ALA 19 Cb 1.32 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2dhx h ALA 19 CO 0.13 -1.05 0.68 0.08 0.00 0.00 0.00 179.25 179.10 2dhx s VAL 20 N -5.48 4.46 0.90 0.00 1.01 -1.21 -5.03 120.40 115.05 2dhx s VAL 20 Ca -0.09 1.76 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 2dhx s VAL 20 Cb 0.33 -4.13 0.22 0.00 0.00 0.00 0.00 36.38 32.79 2dhx s VAL 20 CO 0.79 -0.03 0.99 -0.81 0.00 0.00 0.00 175.10 176.05 2dhx n PRO 21 N 5.35 -1.89 0.08 2.72 -0.04 -1.26 -4.91 135.00 135.06 2dhx n PRO 21 Ca 0.11 -1.55 -0.22 0.00 -0.04 0.00 0.00 63.50 61.79 2dhx n PRO 21 Cb 0.47 -1.22 -0.15 0.00 -0.04 0.00 0.00 33.50 32.55 2dhx n PRO 21 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2dhx h ASP 22 N -1.91 0.59 -0.87 3.54 2.03 -1.95 -3.18 116.42 114.67 2dhx h ASP 22 Ca -0.34 -0.94 0.17 0.00 -0.73 0.00 0.00 57.03 55.19 2dhx h ASP 22 Cb 0.99 -0.19 -0.17 0.00 -0.83 0.00 0.00 39.33 39.14 2dhx h ASP 22 CO 0.23 1.52 -0.22 -1.84 -1.03 0.00 0.00 179.24 177.90 2dhx n GLU 23 N -3.97 -0.08 0.09 4.15 0.00 -1.26 0.63 120.64 120.21 2dhx n GLU 23 Ca -0.16 1.36 -0.13 0.00 0.00 0.00 0.00 57.16 58.23 2dhx n GLU 23 Cb 0.93 -2.03 -0.08 0.00 0.00 0.00 0.00 31.44 30.25 2dhx n GLU 23 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2dhx h LEU 24 N 0.00 -0.21 -1.21 -1.84 3.38 -1.96 0.55 115.31 114.02 2dhx h LEU 24 Ca 0.42 -0.25 0.45 0.00 0.09 0.00 0.00 57.88 58.59 2dhx h LEU 24 Cb 0.64 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 2dhx h LEU 24 CO -0.90 0.16 0.74 -0.11 0.09 0.00 0.00 178.44 178.42 2dhx n LEU 25 N -5.04 0.26 -0.08 1.67 7.94 0.21 0.37 117.00 122.32 2dhx n LEU 25 Ca -0.09 1.48 -0.20 0.00 -1.11 0.00 0.00 56.01 56.09 2dhx n LEU 25 Cb 0.23 -0.73 -0.12 0.00 0.53 0.00 0.00 43.42 43.34 2dhx n LEU 25 CO 0.31 -1.63 -0.30 0.71 -1.11 0.00 0.00 177.39 175.38 2dhx h THR 26 N 0.00 1.14 -1.39 1.96 1.35 -0.59 -2.88 112.91 112.50 2dhx h THR 26 Ca 0.86 -2.25 0.40 0.00 -0.55 0.00 0.00 66.41 64.88 2dhx h THR 26 Cb 2.57 2.56 -0.06 0.00 -1.73 0.00 0.00 68.15 71.50 2dhx h THR 26 CO -0.58 0.44 0.99 0.17 -0.25 0.00 0.00 175.52 176.29 2dhx h LEU 27 N -0.90 0.02 0.00 3.87 8.10 0.43 1.49 115.31 128.32 2dhx h LEU 27 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.74 2dhx h LEU 27 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.52 2dhx h LEU 27 CO -0.13 -0.00 -0.08 0.22 -4.11 0.00 0.00 178.44 174.34 2dhx h TYR 28 N 0.02 0.00 -0.97 0.17 3.20 -0.20 -2.81 116.97 116.37 2dhx h TYR 28 Ca 0.67 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.73 2dhx h TYR 28 Cb 2.64 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 40.82 2dhx h TYR 28 CO -0.00 0.00 0.61 0.74 -1.64 0.00 0.00 178.16 177.87 2dhx h PHE 29 N -0.55 0.87 -0.22 -3.82 0.04 -1.08 -0.20 116.94 111.98 2dhx h PHE 29 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2dhx h PHE 29 Cb 0.08 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 2dhx h PHE 29 CO -0.04 0.22 -0.02 0.93 -0.60 0.00 0.00 178.31 178.81 2dhx h GLU 30 N 0.65 0.39 -6.82 1.51 5.08 0.19 -3.37 114.58 112.22 2dhx h GLU 30 Ca 0.53 -0.13 -0.55 0.00 -1.00 0.00 0.00 59.36 58.21 2dhx h GLU 30 Cb 0.97 -0.03 0.10 0.00 0.50 0.00 0.00 28.75 30.29 2dhx h GLU 30 CO -0.29 0.60 0.73 0.09 -1.00 0.00 0.00 179.01 179.14 2dhx n ASN 31 N -4.65 3.48 0.02 1.42 3.02 -0.09 -4.33 115.26 114.13 2dhx n ASN 31 Ca -0.04 1.19 -0.16 0.00 -0.03 0.00 0.00 54.58 55.54 2dhx n ASN 31 Cb 0.25 -1.56 -0.14 0.00 -0.61 0.00 0.00 39.78 37.72 2dhx n ASN 31 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2dhx h ARG 32 N 3.51 0.18 -0.24 3.52 0.11 -1.81 -3.06 114.38 116.58 2dhx h ARG 32 Ca -0.48 -0.30 -0.12 0.00 0.10 0.00 0.00 59.98 59.17 2dhx h ARG 32 Cb 1.25 0.11 -0.00 0.00 1.11 0.00 0.00 29.97 32.44 2dhx h ARG 32 CO 0.69 0.96 -0.34 0.00 0.10 0.00 0.00 179.97 181.39 2dhx h ARG 33 N 0.05 0.65 -0.52 0.08 3.08 -1.92 -0.13 114.38 115.67 2dhx h ARG 33 Ca -0.31 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.32 2dhx h ARG 33 Cb 2.02 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 32.08 2dhx h ARG 33 CO 0.11 0.99 0.19 0.00 -1.07 0.00 0.00 179.97 180.20 2dhx h ARG 34 N 0.36 0.79 0.00 0.04 2.47 -1.85 -3.43 114.38 112.76 2dhx h ARG 34 Ca 0.03 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2dhx h ARG 34 Cb 0.92 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2dhx h ARG 34 CO 0.08 0.71 0.00 0.45 0.56 0.00 0.00 179.97 181.76 2dhx n SER 35 N -4.52 0.00 0.00 7.04 2.88 -1.17 -4.92 113.62 112.93 2dhx n SER 35 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2dhx n SER 35 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 3.30 0.18 0.00 0.46 0.00 -0.07 -4.93 105.19 104.14 2dhx n GLY 36 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 5.21 0.00 -0.02 0.00 -1.25 -4.06 105.19 105.06 2dhx n GLY 37 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 3.17 5.67 3.72 -0.02 0.00 -1.26 -4.59 105.19 111.88 2dhx n GLY 38 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 1.59 4.49 -0.10 1.61 0.04 -1.26 -4.07 135.00 137.30 2dhx s PRO 39 Ca 0.00 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 2dhx s PRO 39 Cb 0.00 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2dhx s PRO 39 CO 0.00 -0.14 0.85 0.08 0.04 0.00 0.00 177.00 177.83 2dhx s VAL 40 N 0.65 4.91 0.03 -0.36 1.01 -1.26 -2.47 120.40 122.91 2dhx s VAL 40 Ca 0.55 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.97 2dhx s VAL 40 Cb -0.29 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 31.76 2dhx s VAL 40 CO 0.31 0.11 1.34 0.25 0.00 0.00 0.00 175.10 177.11 2dhx h LEU 41 N 7.59 -0.54 -8.33 3.92 7.12 -1.49 -3.45 115.31 120.13 2dhx h LEU 41 Ca -0.35 -0.07 -0.19 0.00 0.13 0.00 0.00 57.88 57.40 2dhx h LEU 41 Cb 1.17 0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 41.40 2dhx h LEU 41 CO 0.80 -0.23 0.01 -0.55 -0.13 0.00 0.00 178.44 178.34 2dhx s SER 42 N -4.77 0.64 -0.12 1.25 0.15 -1.16 -5.00 113.70 104.68 2dhx s SER 42 Ca -0.15 -1.40 -0.06 0.00 0.70 0.00 0.00 55.95 55.04 2dhx s SER 42 Cb 0.03 0.76 0.05 0.00 -1.71 0.00 0.00 66.02 65.14 2dhx s SER 42 CO 0.55 -1.49 0.27 0.86 1.20 0.00 0.00 173.24 174.62 2dhx s TRP 43 N -2.61 -0.37 -0.33 3.44 -0.00 -1.26 -2.26 118.94 115.54 2dhx s TRP 43 Ca 0.25 0.87 0.04 0.00 -0.00 0.00 0.00 56.10 57.26 2dhx s TRP 43 Cb -0.02 0.07 0.10 0.00 -0.00 0.00 0.00 33.47 33.61 2dhx s TRP 43 CO 0.18 -0.26 0.04 -1.14 -0.00 0.00 0.00 176.95 175.77 2dhx s GLN 44 N 1.41 1.49 -0.39 5.86 2.00 -0.40 -5.02 119.66 124.62 2dhx s GLN 44 Ca -0.08 -1.82 -0.26 0.00 -2.00 0.00 0.00 55.36 51.20 2dhx s GLN 44 Cb -0.10 -3.15 0.02 0.00 0.80 0.00 0.00 33.01 30.58 2dhx s GLN 44 CO -0.09 -0.92 0.95 0.50 -0.50 0.00 0.00 175.29 175.23 2dhx s ARG 45 N 0.94 3.80 0.00 1.67 3.52 -1.26 -1.04 118.95 126.57 2dhx s ARG 45 Ca 0.10 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 2dhx s ARG 45 Cb -0.19 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 2dhx s ARG 45 CO -0.08 -1.02 0.00 1.28 -0.81 0.00 0.00 175.30 174.67 2dhx n LEU 46 N 6.92 0.00 0.00 -0.88 4.77 -0.92 -4.92 117.00 121.97 2dhx n LEU 46 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2dhx n LEU 46 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2dhx n LEU 46 CO 0.60 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2dhx n GLY 47 N 3.73 0.50 2.21 -0.72 0.00 -1.26 -4.84 105.19 104.81 2dhx n GLY 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.46 -0.16 0.00 0.00 0.00 -1.26 -0.81 105.19 103.42 2dhx n GLY 49 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 2.74 3.72 -0.02 0.00 -0.26 -2.17 105.19 109.20 2dhx n GLY 50 Ca 0.00 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.91 5.33 0.15 1.61 1.01 -0.21 0.62 120.40 127.00 2dhx s VAL 51 Ca 0.00 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.49 2dhx s VAL 51 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2dhx s VAL 51 CO 0.00 0.39 0.02 -0.22 0.00 0.00 0.00 175.10 175.29 2dhx s LEU 52 N 0.51 3.41 -0.17 3.92 0.20 0.49 -1.27 118.68 125.78 2dhx s LEU 52 Ca 0.14 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.66 2dhx s LEU 52 Cb -0.13 -2.08 0.01 0.00 -0.43 0.00 0.00 46.19 43.56 2dhx s LEU 52 CO 0.03 0.11 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.14 2dhx s THR 53 N -1.61 2.48 -0.36 3.68 2.01 -0.96 0.12 115.64 121.01 2dhx s THR 53 Ca 0.27 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2dhx s THR 53 Cb -0.10 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.36 2dhx s THR 53 CO 0.19 0.52 0.23 -0.36 -0.69 0.00 0.00 174.62 174.50 2dhx s PHE 54 N 1.03 3.22 0.26 4.92 0.40 -0.55 -1.26 117.98 126.01 2dhx s PHE 54 Ca -0.01 -0.53 -0.07 0.00 -0.60 0.00 0.00 56.93 55.71 2dhx s PHE 54 Cb -0.15 -2.47 0.43 0.00 0.51 0.00 0.00 43.02 41.35 2dhx s PHE 54 CO -0.04 -0.49 1.47 -2.13 0.70 0.00 0.00 175.22 174.72 2dhx n ARG 55 N 5.07 -0.08 -4.36 0.44 0.63 -1.03 -4.04 116.66 113.29 2dhx n ARG 55 Ca -0.12 1.47 -0.34 0.00 -0.92 0.00 0.00 57.85 57.93 2dhx n ARG 55 Cb 0.48 -2.19 -0.11 0.00 0.45 0.00 0.00 32.46 31.09 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 -6.18 3.56 0.16 -0.14 2.02 -1.26 -4.75 118.70 112.11 2dhx s GLU 56 Ca -0.14 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 2dhx s GLU 56 Cb 0.25 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 2dhx s GLU 56 CO 0.73 0.34 1.37 -1.00 0.02 0.00 0.00 175.26 176.73 2dhx h PRO 57 N 6.38 0.34 -0.48 0.39 0.13 -1.95 -1.50 132.00 135.32 2dhx h PRO 57 Ca -0.36 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.43 2dhx h PRO 57 Cb 1.19 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2dhx h PRO 57 CO 0.62 1.01 0.26 0.00 -0.23 0.00 0.00 178.00 179.66 2dhx h ALA 58 N 0.88 0.61 -0.17 -0.56 0.00 -1.94 0.20 119.26 118.29 2dhx h ALA 58 Ca -0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2dhx h ALA 58 Cb 1.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2dhx h ALA 58 CO 0.14 0.13 -0.51 -0.44 0.00 0.00 0.00 179.25 178.58 2dhx h ASP 59 N 0.63 0.50 -0.41 0.00 5.19 -1.90 -2.42 116.42 118.01 2dhx h ASP 59 Ca 0.17 -0.25 -0.05 0.00 -0.62 0.00 0.00 57.03 56.28 2dhx h ASP 59 Cb 0.05 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 2dhx h ASP 59 CO -0.03 0.92 0.09 0.00 -3.12 0.00 0.00 179.24 177.10 2dhx h ALA 60 N 1.09 1.26 0.13 3.45 0.00 -0.63 -2.61 119.26 121.94 2dhx h ALA 60 Ca 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dhx h ALA 60 Cb 1.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dhx h ALA 60 CO 0.09 0.51 -0.06 0.93 0.00 0.00 0.00 179.25 180.72 2dhx h GLU 61 N 0.72 -0.16 -0.22 0.00 4.39 -0.34 -0.20 114.58 118.76 2dhx h GLU 61 Ca 0.16 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.93 2dhx h GLU 61 Cb 0.30 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2dhx h GLU 61 CO 0.00 0.13 0.42 0.00 -1.16 0.00 0.00 179.01 178.41 2dhx h ARG 62 N -0.47 0.00 0.10 2.33 3.08 -1.22 0.67 114.38 118.87 2dhx h ARG 62 Ca -0.02 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 2dhx h ARG 62 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2dhx h ARG 62 CO 0.03 0.00 -1.29 0.28 -1.07 0.00 0.00 179.97 177.92 2dhx h VAL 63 N 0.00 1.08 -0.66 2.04 2.07 -1.07 -3.35 116.25 116.36 2dhx h VAL 63 Ca 0.11 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 2dhx h VAL 63 Cb 0.95 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 2dhx h VAL 63 CO -0.00 0.67 0.31 -0.07 0.02 0.00 0.00 177.57 178.50 2dhx h LEU 64 N -0.41 0.88 -1.82 2.57 3.38 0.12 -1.95 115.31 118.09 2dhx h LEU 64 Ca -0.28 -0.14 0.54 0.00 0.09 0.00 0.00 57.88 58.09 2dhx h LEU 64 Cb 1.67 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 2dhx h LEU 64 CO 0.04 0.77 1.29 0.00 0.09 0.00 0.00 178.44 180.63 2dhx n ALA 65 N -2.36 1.75 -2.56 1.53 0.00 0.20 -3.64 120.51 115.43 2dhx n ALA 65 Ca 0.05 0.66 -0.42 0.00 0.00 0.00 0.00 53.44 53.73 2dhx n ALA 65 Cb 0.13 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 -4.83 3.61 0.00 0.00 0.74 -0.73 -4.90 119.66 113.55 2dhx s GLN 66 Ca -0.05 -0.14 0.24 0.00 0.05 0.00 0.00 55.36 55.46 2dhx s GLN 66 Cb 0.26 -3.82 1.40 0.00 1.10 0.00 0.00 33.01 31.96 2dhx s GLN 66 CO 0.84 -0.68 1.87 0.00 -0.55 0.00 0.00 175.29 176.77 2dhx n ALA 67 N 5.83 2.58 -2.37 1.58 0.00 -1.24 -4.71 120.51 122.18 2dhx n ALA 67 Ca -0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 2dhx n ALA 67 Cb 0.49 -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 -1.79 2.89 -0.13 0.00 -1.08 -1.26 -4.74 116.67 110.55 2dhx s ASP 68 Ca 0.35 -0.51 -0.06 0.00 -0.52 0.00 0.00 52.55 51.81 2dhx s ASP 68 Cb 0.16 -0.29 0.06 0.00 -1.46 0.00 0.00 42.92 41.39 2dhx s ASP 68 CO 0.27 0.26 0.30 -1.00 0.52 0.00 0.00 175.17 175.52 2dhx s HIS 69 N -0.70 -0.44 -0.14 -5.34 3.76 -1.23 -5.00 115.29 106.20 2dhx s HIS 69 Ca 0.10 0.99 -0.02 0.00 -0.15 0.00 0.00 55.06 55.98 2dhx s HIS 69 Cb -0.09 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.67 2dhx s HIS 69 CO 0.01 -0.30 -0.07 -2.00 -0.85 0.00 0.00 174.74 171.52 2dhx s GLU 70 N 1.65 3.53 -0.33 1.40 2.12 -1.26 -0.57 118.70 125.25 2dhx s GLU 70 Ca -0.06 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.71 2dhx s GLU 70 Cb -0.10 -2.79 0.16 0.00 0.26 0.00 0.00 34.13 31.65 2dhx s GLU 70 CO -0.10 0.25 0.39 -1.17 -0.54 0.00 0.00 175.26 174.09 2dhx s LEU 71 N 0.31 -0.46 -1.07 2.70 2.96 -1.07 -4.94 118.68 117.11 2dhx s LEU 71 Ca -0.06 -0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 52.82 2dhx s LEU 71 Cb -0.15 0.85 -0.06 0.00 0.50 0.00 0.00 46.19 47.33 2dhx s LEU 71 CO 0.04 -0.31 0.90 1.41 -1.32 0.00 0.00 176.35 177.06 2dhx n HIS 72 N 4.86 -2.37 -3.05 5.38 8.25 -1.26 -3.98 115.22 123.05 2dhx n HIS 72 Ca 0.05 0.78 -0.15 0.00 -0.26 0.00 0.00 57.72 58.14 2dhx n HIS 72 Cb 0.48 -4.00 0.02 0.00 1.12 0.00 0.00 29.99 27.60 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 -1.32 -1.21 0.00 -1.41 0.00 -1.26 -5.03 105.19 94.97 2dhx n GLY 73 Ca -0.07 1.01 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 0.02 0.00 -3.26 4.61 0.00 -1.26 -5.07 120.51 115.56 2dhx n ALA 74 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.01 2dhx n ALA 74 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.09 3.26 -0.09 0.00 -2.07 -1.25 -2.61 119.66 115.82 2dhx s GLN 75 Ca 0.00 -1.92 -0.30 0.00 -1.82 0.00 0.00 55.36 51.32 2dhx s GLN 75 Cb 0.00 -4.38 -0.02 0.00 -1.09 0.00 0.00 33.01 27.52 2dhx s GLN 75 CO 0.00 -1.38 1.11 -0.51 -1.32 0.00 0.00 175.29 173.19 2dhx s LEU 76 N 1.34 4.25 -0.61 2.60 2.01 0.26 -4.83 118.68 123.70 2dhx s LEU 76 Ca 0.12 1.67 -0.22 0.00 0.01 0.00 0.00 54.13 55.71 2dhx s LEU 76 Cb -0.20 -3.56 0.07 0.00 0.01 0.00 0.00 46.19 42.51 2dhx s LEU 76 CO -0.02 -0.54 0.89 -0.44 1.01 0.00 0.00 176.35 177.26 2dhx s SER 77 N 1.32 6.21 0.14 2.29 0.01 0.54 -3.52 113.70 120.70 2dhx s SER 77 Ca 0.52 -0.90 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 2dhx s SER 77 Cb -0.21 -2.39 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 2dhx s SER 77 CO 0.19 -1.30 0.68 -0.76 0.41 0.00 0.00 173.24 172.46 2dhx s LEU 78 N 3.71 4.50 0.09 2.44 2.01 -1.26 0.89 118.68 131.06 2dhx s LEU 78 Ca 0.22 1.42 -0.16 0.00 0.01 0.00 0.00 54.13 55.62 2dhx s LEU 78 Cb -0.17 -3.21 0.03 0.00 0.01 0.00 0.00 46.19 42.84 2dhx s LEU 78 CO 0.12 0.19 0.38 -0.13 1.01 0.00 0.00 176.35 177.91 2dhx s ARG 79 N -1.37 0.98 -0.17 1.70 0.52 0.93 -4.95 118.95 116.60 2dhx s ARG 79 Ca 0.35 -0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 54.66 2dhx s ARG 79 Cb -0.20 0.43 -0.01 0.00 0.52 0.00 0.00 34.95 35.69 2dhx s ARG 79 CO 0.22 -0.36 1.28 -1.25 0.02 0.00 0.00 175.30 175.21 2dhx s PRO 80 N -3.31 4.21 0.67 3.54 0.04 -1.26 0.19 135.00 139.08 2dhx s PRO 80 Ca 0.00 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 2dhx s PRO 80 Cb 0.01 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.78 2dhx s PRO 80 CO -0.08 -0.74 1.15 0.00 0.04 0.00 0.00 177.00 177.37 2dhx s ALA 81 N 3.57 2.37 -0.33 8.56 0.00 -1.25 -4.57 121.76 130.11 2dhx s ALA 81 Ca 0.55 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 2dhx s ALA 81 Cb -0.22 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2dhx s ALA 81 CO 0.15 -1.44 1.37 -1.25 0.00 0.00 0.00 175.76 174.59 2dhx s PRO 82 N -3.96 3.80 -0.68 0.00 0.04 -1.26 -4.88 135.00 128.06 2dhx s PRO 82 Ca 0.70 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 2dhx s PRO 82 Cb -0.24 -3.94 -0.13 0.00 0.04 0.00 0.00 34.50 30.24 2dhx s PRO 82 CO 0.41 -1.27 2.65 -0.35 0.04 0.00 0.00 177.00 178.48 2dhx n PRO 83 N 7.58 2.22 0.00 0.56 -0.04 -1.26 -4.45 135.00 139.61 2dhx n PRO 83 Ca 0.16 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2dhx n PRO 83 Cb 0.47 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 -3.58 0.54 0.63 -1.26 -5.10 116.66 111.24 2dhx n ARG 84 Ca 0.47 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.34 2dhx n ARG 84 Cb 0.40 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.28 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 -1.99 0.15 5.13 0.00 -1.26 -5.15 121.76 118.64 2dhx s ALA 85 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 2dhx s ALA 85 Cb 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 2dhx s ALA 85 CO 0.00 -0.44 1.13 -1.25 0.00 0.00 0.00 175.76 175.20 2dhx s PRO 86 N -1.82 4.54 -0.86 0.00 0.04 -1.26 -4.99 135.00 130.65 2dhx s PRO 86 Ca 0.05 1.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 2dhx s PRO 86 Cb -0.01 -3.29 0.22 0.00 0.04 0.00 0.00 34.50 31.46 2dhx s PRO 86 CO -0.04 -0.02 0.77 0.00 0.04 0.00 0.00 177.00 177.75 2dhx s ALA 87 N 0.08 4.16 -0.18 8.56 0.00 -1.26 -4.98 121.76 128.15 2dhx s ALA 87 Ca 0.52 -3.58 -0.04 0.00 0.00 0.00 0.00 51.96 48.86 2dhx s ALA 87 Cb -0.30 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.75 2dhx s ALA 87 CO 0.34 -2.19 0.07 0.50 0.00 0.00 0.00 175.76 174.48 2dhx s ARG 88 N -0.65 0.26 0.05 0.00 3.52 -1.26 -5.13 118.95 115.73 2dhx s ARG 88 Ca 0.23 -0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.61 2dhx s ARG 88 Cb -0.12 -1.92 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 2dhx s ARG 88 CO -0.08 -0.67 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.22 2dhx s LEU 89 N 2.04 2.33 -0.00 -0.88 1.02 -1.26 -5.16 118.68 116.77 2dhx s LEU 89 Ca 0.01 -0.85 0.07 0.00 0.02 0.00 0.00 54.13 53.39 2dhx s LEU 89 Cb -0.16 0.26 -0.02 0.00 0.02 0.00 0.00 46.19 46.29 2dhx s LEU 89 CO -0.09 -0.54 -0.23 -0.76 0.02 0.00 0.00 176.35 174.75 2dhx s LEU 90 N -2.57 2.07 0.05 1.79 1.43 -1.26 -5.08 118.68 115.11 2dhx s LEU 90 Ca 0.02 -0.45 -0.37 0.00 -1.03 0.00 0.00 54.13 52.29 2dhx s LEU 90 Cb 0.04 -1.17 -0.19 0.00 0.03 0.00 0.00 46.19 44.89 2dhx s LEU 90 CO -0.08 0.26 0.96 0.18 0.23 0.00 0.00 176.35 177.90 2dhx n LEU 91 N 2.34 -0.23 -4.74 1.79 4.77 -1.26 -4.92 117.00 114.76 2dhx n LEU 91 Ca -0.16 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 56.62 2dhx n LEU 91 Cb 0.52 -0.94 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 2dhx n LEU 91 CO 0.23 -2.12 -0.27 -1.58 -1.33 0.00 0.00 177.39 172.32 2dhx s GLN 92 N -0.21 3.10 0.00 3.23 0.74 -1.26 -5.02 119.66 120.24 2dhx s GLN 92 Ca 0.85 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.92 2dhx s GLN 92 Cb -1.19 -2.90 0.00 0.00 1.10 0.00 0.00 33.01 30.03 2dhx s GLN 92 CO 0.57 0.72 0.00 0.41 -0.55 0.00 0.00 175.29 176.44 2dhx n GLY 93 N 2.09 -0.66 3.83 2.59 0.00 -1.26 -5.18 105.19 106.61 2dhx n GLY 93 Ca -0.19 0.68 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 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 -5.12 118.68 120.19 2dhx s LEU 94 Ca 0.00 -0.07 -0.14 0.00 0.01 0.00 0.00 54.13 53.93 2dhx s LEU 94 Cb 0.00 -2.52 0.18 0.00 0.01 0.00 0.00 46.19 43.86 2dhx s LEU 94 CO 0.00 0.07 1.17 -2.16 1.01 0.00 0.00 176.35 176.44 2dhx s PRO 95 N -3.11 0.62 1.08 1.29 0.04 -1.26 -5.06 135.00 128.59 2dhx s PRO 95 Ca 0.32 0.09 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 2dhx s PRO 95 Cb -0.10 -1.80 0.26 0.00 0.04 0.00 0.00 34.50 32.90 2dhx s PRO 95 CO 0.24 -2.51 1.19 -0.35 0.04 0.00 0.00 177.00 175.61 2dhx n PRO 96 N -3.94 -2.18 -3.21 0.56 -0.04 -1.26 -5.06 135.00 119.87 2dhx n PRO 96 Ca 0.09 -1.87 -0.27 0.00 -0.04 0.00 0.00 63.50 61.42 2dhx n PRO 96 Cb 0.59 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 2dhx n PRO 96 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2dhx s GLY 97 N -5.15 1.62 0.04 0.55 0.00 -1.26 -5.10 107.32 98.01 2dhx s GLY 97 Ca 0.72 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.86 2dhx s GLY 97 CO 0.53 -0.55 -0.23 -1.59 0.00 0.00 0.00 173.10 171.25 2dhx s THR 98 N -2.29 2.43 0.34 0.90 2.01 -1.26 -5.09 115.64 112.68 2dhx s THR 98 Ca 0.43 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 2dhx s THR 98 Cb -0.10 -1.98 -0.16 0.00 0.01 0.00 0.00 72.50 70.28 2dhx s THR 98 CO 0.35 0.37 0.20 -1.20 -0.69 0.00 0.00 174.62 173.65 2dhx n SER 99 N 1.73 -2.35 0.00 3.53 7.64 -1.26 -4.95 113.62 117.96 2dhx n SER 99 Ca -0.17 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.59 2dhx n SER 99 Cb 0.52 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2dhx n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 100 N 2.18 -0.53 3.79 0.23 0.00 -1.26 -5.17 105.19 104.43 2dhx n GLY 100 Ca 0.13 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 1.28 0.34 1.61 0.04 -1.26 -5.09 135.00 131.93 2dhx s PRO 101 Ca 0.00 0.34 0.10 0.00 0.04 0.00 0.00 61.00 61.48 2dhx s PRO 101 Cb 0.00 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 2dhx s PRO 101 CO 0.00 -2.11 -0.09 0.45 0.04 0.00 0.00 177.00 175.29 2dhx s SER 102 N -4.01 3.76 0.24 6.66 0.15 -1.26 -5.15 113.70 114.08 2dhx s SER 102 Ca 0.63 -1.18 -0.14 0.00 0.70 0.00 0.00 55.95 55.96 2dhx s SER 102 Cb -0.15 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2dhx s SER 102 CO 0.53 -0.20 0.50 -0.44 1.20 0.00 0.00 173.24 174.83 2dhx s SER 103 N -3.61 -0.13 0.00 5.45 0.01 -1.26 -5.37 113.70 108.78 2dhx s SER 103 Ca 0.33 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2dhx s SER 103 Cb 0.02 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2dhx s SER 103 CO 0.17 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.29