#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 0.00 0.00 1.61 2.88 -1.26 -5.07 113.62 111.78 2dhx n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dhx n SER 2 Cb 0.00 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2dhx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dhx n SER 3 N -2.34 0.00 0.00 -3.46 7.64 -1.26 -4.63 113.62 109.56 2dhx n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dhx n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dhx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 4 N 0.00 3.16 0.55 0.23 0.00 -1.26 -5.09 105.19 102.78 2dhx n GLY 4 Ca 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 1.04 -3.00 1.61 2.88 -1.26 -4.94 113.62 109.95 2dhx n SER 5 Ca 0.00 0.18 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2dhx n SER 5 Cb 0.00 -0.43 0.01 0.00 -0.75 0.00 0.00 64.21 63.04 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 -3.66 -7.26 0.00 -3.46 7.64 -1.26 -4.92 113.62 100.70 2dhx n SER 6 Ca -0.29 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2dhx n SER 6 Cb 0.70 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 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 0.45 -1.64 3.92 0.23 0.00 -1.26 -5.16 105.19 101.74 2dhx n GLY 7 Ca 0.01 0.81 -0.27 0.00 0.00 0.00 0.00 46.02 46.58 2dhx n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dhx s GLY 8 N 0.00 1.67 -0.11 -0.02 0.00 -1.26 -5.00 107.32 102.60 2dhx s GLY 8 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 2dhx s GLY 8 CO 0.00 -0.44 -0.08 0.14 0.00 0.00 0.00 173.10 172.72 2dhx s VAL 9 N -3.38 1.02 0.03 1.40 1.01 -1.26 -5.04 120.40 114.18 2dhx s VAL 9 Ca 0.62 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.38 2dhx s VAL 9 Cb -0.10 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2dhx s VAL 9 CO 0.46 0.37 -0.19 0.00 0.00 0.00 0.00 175.10 175.75 2dhx s ALA 10 N 1.71 1.56 -0.10 5.51 0.00 -1.26 -0.87 121.76 128.31 2dhx s ALA 10 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2dhx s ALA 10 Cb -0.13 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2dhx s ALA 10 CO -0.08 0.34 -0.13 0.08 0.00 0.00 0.00 175.76 175.97 2dhx s VAL 11 N -0.75 1.33 -0.23 0.00 1.01 0.34 -3.14 120.40 118.97 2dhx s VAL 11 Ca 0.06 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2dhx s VAL 11 Cb -0.08 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 2dhx s VAL 11 CO 0.01 0.41 1.26 -0.70 0.00 0.00 0.00 175.10 176.09 2dhx s GLU 12 N 1.12 4.09 -0.20 2.72 -6.30 0.24 -0.33 118.70 120.03 2dhx s GLU 12 Ca -0.05 1.44 -0.09 0.00 -2.50 0.00 0.00 54.97 53.78 2dhx s GLU 12 Cb -0.14 -3.81 -0.05 0.00 0.00 0.00 0.00 34.13 30.13 2dhx s GLU 12 CO -0.03 -0.90 0.11 0.08 0.02 0.00 0.00 175.26 174.55 2dhx s VAL 13 N 3.89 5.22 0.04 3.70 1.01 0.40 -0.59 120.40 134.07 2dhx s VAL 13 Ca 0.55 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.70 2dhx s VAL 13 Cb -0.19 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2dhx s VAL 13 CO 0.18 0.44 -0.14 -0.60 0.00 0.00 0.00 175.10 174.98 2dhx s ARG 14 N 0.39 0.96 -0.13 2.72 3.52 0.94 0.41 118.95 127.76 2dhx s ARG 14 Ca 0.06 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 2dhx s ARG 14 Cb -0.11 -0.97 -0.01 0.00 -1.56 0.00 0.00 34.95 32.30 2dhx s ARG 14 CO -0.01 0.24 0.11 0.41 -0.81 0.00 0.00 175.30 175.24 2dhx n GLY 15 N 1.93 0.52 2.86 8.12 0.00 -1.17 0.19 105.19 117.63 2dhx n GLY 15 Ca -0.18 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.18 1.02 0.47 0.99 2.96 -1.26 -3.79 118.68 115.90 2dhx s LEU 16 Ca 0.05 -0.18 -0.21 0.00 -0.22 0.00 0.00 54.13 53.57 2dhx s LEU 16 Cb -0.01 -0.59 -0.09 0.00 0.50 0.00 0.00 46.19 46.00 2dhx s LEU 16 CO 0.10 -0.12 1.04 -2.16 -1.32 0.00 0.00 176.35 173.89 2dhx s PRO 17 N 1.54 3.88 0.23 0.98 0.04 -1.26 -3.80 135.00 136.61 2dhx s PRO 17 Ca -0.00 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.53 2dhx s PRO 17 Cb -0.13 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 32.40 2dhx s PRO 17 CO -0.04 -0.37 1.51 -1.00 0.04 0.00 0.00 177.00 177.13 2dhx h PRO 18 N 1.76 0.00 -1.28 0.56 0.13 -2.00 -3.10 132.00 128.07 2dhx h PRO 18 Ca -0.49 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.01 2dhx h PRO 18 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2dhx h PRO 18 CO 0.60 0.74 0.91 0.00 -0.23 0.00 0.00 178.00 180.01 2dhx h ALA 19 N 1.26 3.12 -2.67 -0.56 0.00 -2.02 -3.36 119.26 115.03 2dhx h ALA 19 Ca -0.01 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 2dhx h ALA 19 Cb 1.31 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 2dhx h ALA 19 CO 0.10 -1.50 0.10 0.08 0.00 0.00 0.00 179.25 178.02 2dhx s VAL 20 N -5.00 5.04 0.88 0.00 1.01 -1.17 -5.06 120.40 116.10 2dhx s VAL 20 Ca -0.05 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.17 2dhx s VAL 20 Cb 0.24 -4.01 0.12 0.00 0.00 0.00 0.00 36.38 32.73 2dhx s VAL 20 CO 0.82 0.22 1.12 -2.16 0.00 0.00 0.00 175.10 175.10 2dhx s PRO 21 N 1.09 1.43 0.12 2.72 0.04 -1.26 -4.94 135.00 134.21 2dhx s PRO 21 Ca 0.35 0.40 0.24 0.00 0.04 0.00 0.00 61.00 62.03 2dhx s PRO 21 Cb -0.17 -1.86 0.94 0.00 0.04 0.00 0.00 34.50 33.44 2dhx s PRO 21 CO 0.15 -2.02 1.75 -0.25 0.04 0.00 0.00 177.00 176.68 2dhx n ASP 22 N -3.66 0.40 -0.06 6.66 8.00 -1.26 -2.90 116.55 123.73 2dhx n ASP 22 Ca 0.07 0.56 -0.12 0.00 0.71 0.00 0.00 54.79 56.01 2dhx n ASP 22 Cb 0.58 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 2dhx n ASP 22 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dhx h GLU 23 N 0.00 0.34 0.06 -1.24 5.08 -2.00 -2.72 114.58 114.11 2dhx h GLU 23 Ca 0.00 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2dhx h GLU 23 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dhx h GLU 23 CO 0.00 0.54 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.45 2dhx h LEU 24 N 0.10 -0.07 -1.14 1.33 3.38 -1.94 0.11 115.31 117.08 2dhx h LEU 24 Ca 0.06 -0.51 0.43 0.00 0.09 0.00 0.00 57.88 57.95 2dhx h LEU 24 Cb 0.39 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.00 2dhx h LEU 24 CO 0.01 0.51 0.68 -0.11 0.09 0.00 0.00 178.44 179.62 2dhx n LEU 25 N -4.85 0.27 -0.09 1.67 7.94 -1.14 0.33 117.00 121.13 2dhx n LEU 25 Ca -0.08 1.47 -0.17 0.00 -1.11 0.00 0.00 56.01 56.11 2dhx n LEU 25 Cb 0.29 -0.72 -0.11 0.00 0.53 0.00 0.00 43.42 43.41 2dhx n LEU 25 CO 0.31 -1.62 -0.13 0.71 -1.11 0.00 0.00 177.39 175.54 2dhx h THR 26 N 0.00 1.18 -1.34 1.96 1.35 -1.40 -2.96 112.91 111.70 2dhx h THR 26 Ca 0.83 -2.14 0.41 0.00 -0.55 0.00 0.00 66.41 64.96 2dhx h THR 26 Cb 2.44 2.49 -0.10 0.00 -1.73 0.00 0.00 68.15 71.24 2dhx h THR 26 CO -0.60 0.40 0.89 0.17 -0.25 0.00 0.00 175.52 176.14 2dhx h LEU 27 N -1.00 0.21 0.12 3.87 8.10 0.24 1.51 115.31 128.37 2dhx h LEU 27 Ca -0.18 0.09 -0.01 0.00 0.11 0.00 0.00 57.88 57.89 2dhx h LEU 27 Cb 1.09 0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 2dhx h LEU 27 CO -0.11 -0.08 -0.06 0.22 -4.11 0.00 0.00 178.44 174.30 2dhx h TYR 28 N 0.12 -0.15 0.00 0.17 3.20 -0.24 -1.47 116.97 118.60 2dhx h TYR 28 Ca 0.76 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.62 2dhx h TYR 28 Cb 2.48 0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.80 2dhx h TYR 28 CO -0.00 -0.09 0.12 0.74 -1.64 0.00 0.00 178.16 177.28 2dhx h PHE 29 N -0.82 0.00 0.12 -3.82 0.04 -0.95 -0.57 116.94 110.94 2dhx h PHE 29 Ca -0.02 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.46 2dhx h PHE 29 Cb 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 2dhx h PHE 29 CO 0.01 0.00 -1.50 0.93 -0.60 0.00 0.00 178.31 177.15 2dhx h GLU 30 N 0.00 0.25 -6.39 1.51 5.08 0.20 -3.35 114.58 111.88 2dhx h GLU 30 Ca 0.00 -0.43 -0.54 0.00 -1.00 0.00 0.00 59.36 57.39 2dhx h GLU 30 Cb 0.23 0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2dhx h GLU 30 CO 0.00 1.21 0.94 1.21 -1.00 0.00 0.00 179.01 181.37 2dhx s ASN 31 N -7.06 6.71 0.36 1.42 3.84 -0.22 -4.52 114.94 115.48 2dhx s ASN 31 Ca -0.20 2.30 0.19 0.00 0.21 0.00 0.00 52.86 55.36 2dhx s ASN 31 Cb 0.05 -2.56 0.46 0.00 -0.55 0.00 0.00 41.25 38.65 2dhx s ASN 31 CO 0.77 -0.82 1.63 0.08 -2.79 0.00 0.00 177.10 175.96 2dhx h ARG 32 N 8.27 0.00 0.01 0.43 0.11 -1.88 -1.00 114.38 120.32 2dhx h ARG 32 Ca -0.40 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.63 2dhx h ARG 32 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2dhx h ARG 32 CO 0.92 0.35 -0.19 0.00 0.10 0.00 0.00 179.97 181.15 2dhx h ARG 33 N 0.00 0.10 -0.04 0.08 2.47 -1.91 -2.14 114.38 112.94 2dhx h ARG 33 Ca -0.00 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 2dhx h ARG 33 Cb 1.07 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2dhx h ARG 33 CO 0.05 0.94 -0.01 0.00 0.56 0.00 0.00 179.97 181.51 2dhx h ARG 34 N -0.68 0.07 0.00 0.04 2.47 -1.85 -3.42 114.38 111.01 2dhx h ARG 34 Ca -0.03 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2dhx h ARG 34 Cb 1.02 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2dhx h ARG 34 CO 0.04 0.40 0.00 0.45 0.56 0.00 0.00 179.97 181.41 2dhx n SER 35 N -4.87 0.00 0.00 7.04 2.88 -0.40 -5.00 113.62 113.27 2dhx n SER 35 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2dhx n SER 35 Cb 0.20 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.85 0.26 0.00 0.46 0.00 -0.81 -4.93 105.19 103.03 2dhx n GLY 36 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 2.94 0.00 -0.02 0.00 -1.26 -3.86 105.19 102.99 2dhx n GLY 37 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 3.04 3.81 -0.02 0.00 -1.18 -4.84 105.19 106.01 2dhx n GLY 38 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 1.64 3.28 -0.18 1.61 0.04 -1.26 -4.07 135.00 136.05 2dhx s PRO 39 Ca 0.00 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2dhx s PRO 39 Cb 0.00 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2dhx s PRO 39 CO 0.00 -0.84 -0.05 0.08 0.04 0.00 0.00 177.00 176.23 2dhx s VAL 40 N -2.64 3.55 0.01 -0.36 1.01 -1.26 -2.47 120.40 118.24 2dhx s VAL 40 Ca 0.62 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.88 2dhx s VAL 40 Cb -0.15 -2.58 -0.16 0.00 0.00 0.00 0.00 36.38 33.49 2dhx s VAL 40 CO 0.41 0.46 1.24 0.25 0.00 0.00 0.00 175.10 177.47 2dhx h LEU 41 N 7.40 -0.40 -8.12 3.92 5.85 -1.37 -3.44 115.31 119.16 2dhx h LEU 41 Ca -0.35 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 2dhx h LEU 41 Cb 1.18 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2dhx h LEU 41 CO 0.60 -0.05 0.17 -0.55 -0.34 0.00 0.00 178.44 178.27 2dhx s SER 42 N -5.00 0.23 -0.09 1.25 0.15 -1.06 -4.99 113.70 104.20 2dhx s SER 42 Ca -0.14 -1.24 -0.09 0.00 0.70 0.00 0.00 55.95 55.19 2dhx s SER 42 Cb 0.02 0.81 0.02 0.00 -1.71 0.00 0.00 66.02 65.17 2dhx s SER 42 CO 0.54 -1.61 0.24 0.86 1.20 0.00 0.00 173.24 174.47 2dhx s TRP 43 N -2.45 -0.26 -0.21 3.44 -0.11 -1.26 -1.06 118.94 117.04 2dhx s TRP 43 Ca 0.19 0.63 -0.00 0.00 1.22 0.00 0.00 56.10 58.13 2dhx s TRP 43 Cb -0.04 0.09 0.06 0.00 -1.50 0.00 0.00 33.47 32.07 2dhx s TRP 43 CO 0.14 -0.14 -0.03 -1.14 -4.62 0.00 0.00 176.95 171.16 2dhx s GLN 44 N 0.07 1.36 -0.44 5.86 0.74 0.16 -4.98 119.66 122.44 2dhx s GLN 44 Ca -0.01 -0.74 -0.24 0.00 0.05 0.00 0.00 55.36 54.42 2dhx s GLN 44 Cb -0.02 -2.34 0.02 0.00 1.10 0.00 0.00 33.01 31.77 2dhx s GLN 44 CO 0.00 -0.57 0.86 0.50 -0.55 0.00 0.00 175.29 175.53 2dhx s ARG 45 N 1.56 3.54 -0.45 1.67 3.52 -1.26 0.20 118.95 127.72 2dhx s ARG 45 Ca -0.03 0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 2dhx s ARG 45 Cb -0.18 -3.91 0.12 0.00 -1.56 0.00 0.00 34.95 29.43 2dhx s ARG 45 CO -0.07 -1.11 0.21 -0.51 -0.81 0.00 0.00 175.30 173.01 2dhx s LEU 46 N 3.48 3.79 0.00 -0.88 2.01 -1.02 -4.92 118.68 121.14 2dhx s LEU 46 Ca 0.34 -2.68 0.00 0.00 0.01 0.00 0.00 54.13 51.80 2dhx s LEU 46 Cb -0.11 -1.42 0.00 0.00 0.01 0.00 0.00 46.19 44.67 2dhx s LEU 46 CO 0.23 -0.28 0.00 0.61 1.01 0.00 0.00 176.35 177.92 2dhx n GLY 47 N 3.53 1.80 3.53 -3.19 0.00 -1.26 -3.61 105.19 105.99 2dhx n GLY 47 Ca 0.05 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 5.73 0.30 0.00 0.00 0.00 -1.25 -3.07 105.19 106.91 2dhx n GLY 49 Ca 0.44 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 2.46 3.62 -0.02 0.00 0.17 -2.44 105.19 108.98 2dhx n GLY 50 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.67 4.89 0.11 1.61 1.01 0.13 0.15 120.40 126.63 2dhx s VAL 51 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2dhx s VAL 51 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2dhx s VAL 51 CO 0.00 0.42 -0.01 -0.22 0.00 0.00 0.00 175.10 175.29 2dhx s LEU 52 N 0.69 3.39 -0.12 3.92 0.20 0.55 0.40 118.68 127.72 2dhx s LEU 52 Ca 0.05 -0.25 0.03 0.00 0.69 0.00 0.00 54.13 54.65 2dhx s LEU 52 Cb -0.13 -2.11 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 2dhx s LEU 52 CO 0.02 0.15 -0.23 -0.89 -0.29 0.00 0.00 176.35 175.11 2dhx s THR 53 N -1.40 2.13 -0.20 3.68 2.01 -0.22 0.13 115.64 121.77 2dhx s THR 53 Ca 0.26 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 2dhx s THR 53 Cb -0.11 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2dhx s THR 53 CO 0.18 0.55 0.06 -0.36 -0.69 0.00 0.00 174.62 174.36 2dhx s PHE 54 N 0.51 3.17 0.15 4.92 0.40 -0.05 -1.06 117.98 126.02 2dhx s PHE 54 Ca -0.14 -0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 55.79 2dhx s PHE 54 Cb -0.17 -2.12 -0.06 0.00 0.51 0.00 0.00 43.02 41.17 2dhx s PHE 54 CO 0.05 -0.03 1.49 -0.09 0.70 0.00 0.00 175.22 177.34 2dhx h ARG 55 N 7.21 -0.01 -6.15 0.44 2.43 -1.77 -3.38 114.38 113.15 2dhx h ARG 55 Ca -0.36 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.29 2dhx h ARG 55 Cb 1.17 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 2dhx h ARG 55 CO 0.65 -0.00 -0.49 -1.21 -1.51 0.00 0.00 179.97 177.40 2dhx s GLU 56 N -5.28 3.22 -0.08 0.20 2.02 -1.26 -4.81 118.70 112.71 2dhx s GLU 56 Ca -0.11 -0.79 -0.22 0.00 0.02 0.00 0.00 54.97 53.87 2dhx s GLU 56 Cb 0.10 -2.80 -0.18 0.00 0.10 0.00 0.00 34.13 31.35 2dhx s GLU 56 CO 0.57 0.47 0.84 -1.00 0.02 0.00 0.00 175.26 176.15 2dhx h PRO 57 N 1.83 -0.09 -0.88 0.39 0.13 -1.95 -2.61 132.00 128.81 2dhx h PRO 57 Ca -0.49 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2dhx h PRO 57 Cb 1.21 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2dhx h PRO 57 CO 0.64 0.47 0.58 0.00 -0.23 0.00 0.00 178.00 179.46 2dhx h ALA 58 N -0.13 1.38 0.00 -0.56 0.00 -1.96 0.60 119.26 118.59 2dhx h ALA 58 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dhx h ALA 58 Cb 0.61 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dhx h ALA 58 CO 0.02 0.57 0.00 -0.44 0.00 0.00 0.00 179.25 179.39 2dhx h ASP 59 N 1.18 0.00 0.28 0.00 3.32 -1.89 0.18 116.42 119.49 2dhx h ASP 59 Ca 0.33 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.05 2dhx h ASP 59 Cb -0.11 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 2dhx h ASP 59 CO -0.08 0.00 -1.98 0.00 -1.72 0.00 0.00 179.24 175.47 2dhx n ALA 60 N -2.03 1.40 -0.04 3.45 0.00 0.79 -3.08 120.51 121.00 2dhx n ALA 60 Ca -0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 53.44 52.38 2dhx n ALA 60 Cb 0.21 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 2dhx n ALA 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2dhx h GLU 61 N 0.01 0.77 0.00 0.00 4.11 0.79 -2.33 114.58 117.94 2dhx h GLU 61 Ca -0.39 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 58.47 2dhx h GLU 61 Cb 2.07 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.41 2dhx h GLU 61 CO 0.06 1.18 0.09 -0.09 0.07 0.00 0.00 179.01 180.32 2dhx h ARG 62 N 0.56 0.00 0.04 1.06 1.12 -0.84 0.34 114.38 116.66 2dhx h ARG 62 Ca -0.02 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.57 2dhx h ARG 62 Cb 1.28 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.21 2dhx h ARG 62 CO 0.14 0.00 -1.52 0.28 -3.11 0.00 0.00 179.97 175.76 2dhx h VAL 63 N 0.00 0.81 -1.00 0.20 2.07 -1.60 -3.37 116.25 113.36 2dhx h VAL 63 Ca 0.00 -2.23 0.02 0.00 0.82 0.00 0.00 66.70 65.31 2dhx h VAL 63 Cb 0.19 2.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 2dhx h VAL 63 CO 0.00 0.51 0.66 -0.07 0.02 0.00 0.00 177.57 178.68 2dhx h LEU 64 N -0.64 1.12 -1.92 2.57 3.38 -0.70 -1.11 115.31 118.01 2dhx h LEU 64 Ca -0.38 -0.02 0.56 0.00 0.09 0.00 0.00 57.88 58.14 2dhx h LEU 64 Cb 1.55 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 2dhx h LEU 64 CO -0.11 0.79 1.37 0.00 0.09 0.00 0.00 178.44 180.57 2dhx n ALA 65 N -2.37 1.84 -2.61 1.53 0.00 0.11 -3.82 120.51 115.19 2dhx n ALA 65 Ca 0.13 0.67 -0.42 0.00 0.00 0.00 0.00 53.44 53.82 2dhx n ALA 65 Cb 0.05 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 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 -4.87 3.91 0.00 0.00 0.74 -0.42 -4.89 119.66 114.13 2dhx s GLN 66 Ca -0.05 0.55 0.22 0.00 0.05 0.00 0.00 55.36 56.13 2dhx s GLN 66 Cb 0.27 -3.75 1.33 0.00 1.10 0.00 0.00 33.01 31.96 2dhx s GLN 66 CO 0.88 -0.75 1.83 0.00 -0.55 0.00 0.00 175.29 176.70 2dhx n ALA 67 N 6.32 2.59 -2.63 1.58 0.00 -1.25 -4.72 120.51 122.39 2dhx n ALA 67 Ca 0.04 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 2dhx n ALA 67 Cb 0.48 -1.36 -0.13 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 -1.74 1.84 -0.20 0.00 -1.08 -1.26 -4.88 116.67 109.36 2dhx s ASP 68 Ca 0.33 -0.53 -0.09 0.00 -0.52 0.00 0.00 52.55 51.74 2dhx s ASP 68 Cb 0.15 -0.10 0.07 0.00 -1.46 0.00 0.00 42.92 41.58 2dhx s ASP 68 CO 0.26 0.02 0.45 -1.00 0.52 0.00 0.00 175.17 175.42 2dhx s HIS 69 N -1.00 -0.75 -0.08 -5.34 3.76 -1.23 -5.00 115.29 105.65 2dhx s HIS 69 Ca 0.02 1.51 0.03 0.00 -0.15 0.00 0.00 55.06 56.46 2dhx s HIS 69 Cb -0.09 0.34 0.01 0.00 1.11 0.00 0.00 32.58 33.95 2dhx s HIS 69 CO 0.02 -0.42 -0.17 -2.00 -0.85 0.00 0.00 174.74 171.31 2dhx s GLU 70 N 1.90 2.29 -0.26 1.40 2.12 -1.26 -0.56 118.70 124.33 2dhx s GLU 70 Ca -0.07 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 54.63 2dhx s GLU 70 Cb -0.09 -1.82 0.13 0.00 0.26 0.00 0.00 34.13 32.61 2dhx s GLU 70 CO -0.14 0.07 0.34 -1.17 -0.54 0.00 0.00 175.26 173.82 2dhx s LEU 71 N 0.58 -0.49 -0.73 2.70 2.96 -1.19 -4.95 118.68 117.56 2dhx s LEU 71 Ca -0.15 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2dhx s LEU 71 Cb -0.17 0.85 -0.01 0.00 0.50 0.00 0.00 46.19 47.37 2dhx s LEU 71 CO 0.05 -0.34 0.68 1.41 -1.32 0.00 0.00 176.35 176.84 2dhx n HIS 72 N 5.34 -2.71 -2.92 5.38 8.25 -1.26 -4.20 115.22 123.11 2dhx n HIS 72 Ca -0.03 1.02 -0.04 0.00 -0.26 0.00 0.00 57.72 58.41 2dhx n HIS 72 Cb 0.49 -3.95 0.00 0.00 1.12 0.00 0.00 29.99 27.66 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 -1.65 0.02 0.00 -1.41 0.00 -1.26 -4.98 105.19 95.91 2dhx n GLY 73 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.03 0.00 -2.88 4.61 0.00 -1.26 -5.07 120.51 116.94 2dhx n ALA 74 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 2dhx n ALA 74 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 2dhx n ALA 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dhx s GLN 75 N -1.82 2.92 -0.09 0.00 -0.21 -1.26 -3.19 119.66 116.00 2dhx s GLN 75 Ca 0.00 -1.32 -0.18 0.00 0.02 0.00 0.00 55.36 53.87 2dhx s GLN 75 Cb 0.00 -4.05 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 2dhx s GLN 75 CO 0.00 -0.98 0.49 -0.51 -2.12 0.00 0.00 175.29 172.17 2dhx s LEU 76 N 1.61 4.31 -0.56 2.90 2.01 0.27 -4.73 118.68 124.50 2dhx s LEU 76 Ca 0.04 0.88 -0.17 0.00 0.01 0.00 0.00 54.13 54.89 2dhx s LEU 76 Cb -0.23 -2.72 0.12 0.00 0.01 0.00 0.00 46.19 43.37 2dhx s LEU 76 CO 0.06 0.04 0.57 -0.44 1.01 0.00 0.00 176.35 177.59 2dhx s SER 77 N 0.39 6.19 0.10 2.29 0.01 0.50 -3.55 113.70 119.63 2dhx s SER 77 Ca 0.27 -1.69 -0.22 0.00 1.31 0.00 0.00 55.95 55.61 2dhx s SER 77 Cb -0.16 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 2dhx s SER 77 CO 0.12 -0.94 0.67 -0.76 0.41 0.00 0.00 173.24 172.74 2dhx s LEU 78 N 1.92 4.54 0.15 2.44 2.01 -1.26 -0.04 118.68 128.44 2dhx s LEU 78 Ca 0.06 1.43 -0.15 0.00 0.01 0.00 0.00 54.13 55.48 2dhx s LEU 78 Cb -0.28 -3.09 0.02 0.00 0.01 0.00 0.00 46.19 42.85 2dhx s LEU 78 CO 0.04 0.21 0.41 -0.13 1.01 0.00 0.00 176.35 177.88 2dhx s ARG 79 N -0.94 1.17 -0.30 1.70 0.52 0.24 -4.98 118.95 116.37 2dhx s ARG 79 Ca 0.33 -0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 54.39 2dhx s ARG 79 Cb -0.21 0.46 -0.00 0.00 0.52 0.00 0.00 34.95 35.72 2dhx s ARG 79 CO 0.22 -0.46 1.35 -1.25 0.02 0.00 0.00 175.30 175.18 2dhx s PRO 80 N -3.86 3.87 1.08 3.54 0.04 -1.26 0.80 135.00 139.20 2dhx s PRO 80 Ca 0.08 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 2dhx s PRO 80 Cb 0.01 -3.91 0.23 0.00 0.04 0.00 0.00 34.50 30.88 2dhx s PRO 80 CO -0.07 -1.18 1.07 0.00 0.04 0.00 0.00 177.00 176.87 2dhx s ALA 81 N 4.56 0.41 0.48 8.56 0.00 -1.19 -4.61 121.76 129.97 2dhx s ALA 81 Ca 0.59 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.97 2dhx s ALA 81 Cb -0.17 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2dhx s ALA 81 CO 0.25 -3.26 1.04 -1.25 0.00 0.00 0.00 175.76 172.54 2dhx s PRO 82 N -4.84 3.84 0.70 0.00 0.04 -1.26 -4.86 135.00 128.62 2dhx s PRO 82 Ca 0.67 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 2dhx s PRO 82 Cb -0.20 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.20 2dhx s PRO 82 CO 0.60 -0.40 1.06 -1.25 0.04 0.00 0.00 177.00 177.05 2dhx s PRO 83 N -3.14 2.93 -0.27 0.56 0.04 -1.26 -4.51 135.00 129.36 2dhx s PRO 83 Ca 0.66 0.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 2dhx s PRO 83 Cb -0.17 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2dhx s PRO 83 CO 0.21 -1.10 0.19 0.54 0.04 0.00 0.00 177.00 176.88 2dhx n ARG 84 N -3.13 -2.26 -1.50 4.56 5.12 -1.26 -4.77 116.66 113.42 2dhx n ARG 84 Ca 0.08 1.98 0.08 0.00 -1.93 0.00 0.00 57.85 58.05 2dhx n ARG 84 Cb 0.54 -3.89 -0.04 0.00 -1.16 0.00 0.00 32.46 27.90 2dhx n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dhx n ALA 85 N 0.57 -2.75 -0.04 7.54 0.00 -1.26 -4.77 120.51 119.80 2dhx n ALA 85 Ca 0.01 0.68 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 2dhx n ALA 85 Cb 0.30 -1.51 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.53 0.05 0.00 0.00 0.13 -1.86 -3.44 132.00 126.35 2dhx h PRO 86 Ca -0.09 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.86 2dhx h PRO 86 Cb 1.14 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 2dhx h PRO 86 CO 0.03 0.79 -0.22 0.00 -0.23 0.00 0.00 178.00 178.37 2dhx n ALA 87 N -2.49 -2.57 -2.88 -0.56 0.00 -1.26 -4.74 120.51 106.01 2dhx n ALA 87 Ca -0.09 -0.79 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 2dhx n ALA 87 Cb 0.40 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 2dhx n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2dhx n ARG 88 N 1.43 4.00 -0.01 0.00 0.00 -1.26 -4.79 116.66 116.03 2dhx n ARG 88 Ca 0.04 -4.78 -0.01 0.00 -0.00 0.00 0.00 57.85 53.10 2dhx n ARG 88 Cb 0.68 -2.33 -0.00 0.00 0.00 0.00 0.00 32.46 30.81 2dhx n ARG 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2dhx n LEU 89 N -0.04 0.37 -3.08 6.15 4.77 -1.26 -5.05 117.00 118.87 2dhx n LEU 89 Ca 0.36 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.47 2dhx n LEU 89 Cb 0.34 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2dhx n LEU 89 CO 0.42 -0.49 -0.17 0.18 -1.33 0.00 0.00 177.39 176.00 2dhx n LEU 90 N -2.76 -5.85 -4.76 2.23 7.99 -1.26 -4.86 117.00 107.73 2dhx n LEU 90 Ca -0.02 0.41 -0.39 0.00 -0.01 0.00 0.00 56.01 56.01 2dhx n LEU 90 Cb 0.06 -2.67 0.03 0.00 -0.11 0.00 0.00 43.42 40.74 2dhx n LEU 90 CO 0.02 -1.64 1.03 -0.76 -1.51 0.00 0.00 177.39 174.54 2dhx s LEU 91 N -2.31 3.95 -0.13 2.23 2.01 -1.26 -4.94 118.68 118.23 2dhx s LEU 91 Ca 0.24 2.86 -0.26 0.00 0.01 0.00 0.00 54.13 56.98 2dhx s LEU 91 Cb -0.05 -4.14 -0.02 0.00 0.01 0.00 0.00 46.19 42.00 2dhx s LEU 91 CO 0.74 -1.44 0.86 -1.58 1.01 0.00 0.00 176.35 175.94 2dhx s GLN 92 N -2.73 4.36 -0.15 1.70 2.00 -1.26 -5.02 119.66 118.55 2dhx s GLN 92 Ca 0.68 1.10 -0.04 0.00 -2.00 0.00 0.00 55.36 55.10 2dhx s GLN 92 Cb -0.42 -3.54 0.06 0.00 0.80 0.00 0.00 33.01 29.91 2dhx s GLN 92 CO 0.52 -0.25 0.12 0.20 -0.50 0.00 0.00 175.29 175.39 2dhx s GLY 93 N 1.08 0.23 -0.02 2.59 0.00 -1.26 -5.13 107.32 104.80 2dhx s GLY 93 Ca 0.41 -0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.83 2dhx s GLY 93 CO 0.15 1.77 0.60 -2.27 0.00 0.00 0.00 173.10 173.36 2dhx s LEU 94 N 2.20 -0.37 0.88 0.66 2.96 -1.26 -5.17 118.68 118.58 2dhx s LEU 94 Ca 0.04 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 2dhx s LEU 94 Cb -0.15 2.31 0.12 0.00 0.50 0.00 0.00 46.19 48.97 2dhx s LEU 94 CO -0.09 -0.62 1.13 -2.16 -1.32 0.00 0.00 176.35 173.29 2dhx s PRO 95 N -1.49 1.40 0.56 0.98 0.04 -1.26 -5.03 135.00 130.20 2dhx s PRO 95 Ca -0.10 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 2dhx s PRO 95 Cb -0.01 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2dhx s PRO 95 CO 0.07 -2.04 1.04 -1.25 0.04 0.00 0.00 177.00 174.86 2dhx s PRO 96 N -5.25 3.50 -0.29 0.56 0.04 -1.26 -5.05 135.00 127.24 2dhx s PRO 96 Ca 0.63 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 2dhx s PRO 96 Cb -0.15 -2.06 0.19 0.00 0.04 0.00 0.00 34.50 32.53 2dhx s PRO 96 CO 0.53 -0.66 0.73 0.20 0.04 0.00 0.00 177.00 177.85 2dhx s GLY 97 N -2.64 -1.04 -0.13 0.56 0.00 -1.26 -5.14 107.32 97.68 2dhx s GLY 97 Ca 0.64 1.64 -0.04 0.00 0.00 0.00 0.00 44.72 46.96 2dhx s GLY 97 CO 0.32 3.72 0.15 -0.51 0.00 0.00 0.00 173.10 176.78 2dhx s THR 98 N 2.88 -0.23 0.04 0.90 -4.23 -1.26 -5.14 115.64 108.60 2dhx s THR 98 Ca 0.15 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.72 2dhx s THR 98 Cb -0.10 -0.45 -0.01 0.00 1.34 0.00 0.00 72.50 73.29 2dhx s THR 98 CO -0.23 -0.04 0.12 -0.55 -0.54 0.00 0.00 174.62 173.39 2dhx s SER 99 N 2.26 0.15 -0.41 3.99 0.15 -1.26 -4.99 113.70 113.59 2dhx s SER 99 Ca 0.04 -0.52 -0.26 0.00 0.70 0.00 0.00 55.95 55.91 2dhx s SER 99 Cb -0.14 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.46 2dhx s SER 99 CO -0.08 -0.55 0.58 0.61 1.20 0.00 0.00 173.24 175.00 2dhx n GLY 100 N 0.63 -0.66 3.77 9.45 0.00 -1.26 -4.97 105.19 112.15 2dhx n GLY 100 Ca -0.18 1.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.41 -0.03 0.00 1.61 0.04 -1.26 -5.09 135.00 127.86 2dhx s PRO 101 Ca 0.29 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2dhx s PRO 101 Cb -0.05 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2dhx s PRO 101 CO 0.79 -2.90 0.00 0.43 0.04 0.00 0.00 177.00 175.36 2dhx n SER 102 N -4.17 0.00 -3.65 6.66 7.64 -1.26 -5.18 113.62 113.67 2dhx n SER 102 Ca 0.13 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.98 2dhx n SER 102 Cb 0.59 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 2dhx n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhx s SER 103 N 0.00 -0.16 0.00 6.43 0.15 -1.26 -5.27 113.70 113.58 2dhx s SER 103 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2dhx s SER 103 Cb 0.00 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2dhx s SER 103 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00