#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 -3.02 -4.68 1.61 2.88 -1.26 -5.10 113.62 104.06 2dhx n SER 2 Ca 0.00 0.71 -0.37 0.00 -1.33 0.00 0.00 58.87 57.87 2dhx n SER 2 Cb 0.00 2.90 -0.08 0.00 -0.75 0.00 0.00 64.21 66.28 2dhx n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dhx s SER 3 N -2.50 6.35 0.00 -3.46 1.04 -1.26 -5.00 113.70 108.87 2dhx s SER 3 Ca 0.00 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2dhx s SER 3 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2dhx s SER 3 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2dhx n GLY 4 N 3.95 1.51 2.23 7.32 0.00 -1.26 -5.12 105.19 113.81 2dhx n GLY 4 Ca -0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 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 -5.47 0.11 1.61 2.88 -1.26 -5.00 113.62 106.48 2dhx n SER 5 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 2dhx n SER 5 Cb 0.00 -3.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.94 2dhx n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dhx n SER 6 N 0.13 -1.89 0.01 -3.46 2.88 -1.26 -5.08 113.62 104.95 2dhx n SER 6 Ca 0.02 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2dhx n SER 6 Cb 0.09 1.99 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 2dhx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhx n GLY 7 N -1.41 -1.95 0.00 0.46 0.00 -1.26 -5.04 105.19 95.98 2dhx n GLY 7 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.47 4.90 3.20 -0.02 0.00 -1.26 -5.15 105.19 105.40 2dhx n GLY 8 Ca 0.00 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.97 2.31 0.02 1.61 1.01 -1.26 -4.87 120.40 118.24 2dhx s VAL 9 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2dhx s VAL 9 Cb 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2dhx s VAL 9 CO 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 2dhx s ALA 10 N 0.85 0.76 -0.12 5.51 0.00 -1.26 -1.34 121.76 126.17 2dhx s ALA 10 Ca -0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2dhx s ALA 10 Cb -0.15 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2dhx s ALA 10 CO -0.02 0.13 -0.09 0.08 0.00 0.00 0.00 175.76 175.86 2dhx s VAL 11 N -0.63 1.16 -0.28 0.00 1.01 0.32 -3.08 120.40 118.89 2dhx s VAL 11 Ca -0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2dhx s VAL 11 Cb -0.06 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2dhx s VAL 11 CO 0.00 0.39 1.42 -0.70 0.00 0.00 0.00 175.10 176.21 2dhx s GLU 12 N 1.59 3.85 -0.10 2.72 -6.30 0.34 -1.14 118.70 119.66 2dhx s GLU 12 Ca 0.04 1.36 -0.13 0.00 -2.50 0.00 0.00 54.97 53.74 2dhx s GLU 12 Cb -0.13 -3.94 -0.05 0.00 0.00 0.00 0.00 34.13 30.01 2dhx s GLU 12 CO -0.08 -1.21 0.32 0.08 0.02 0.00 0.00 175.26 174.38 2dhx s VAL 13 N 4.74 5.24 0.03 3.70 1.01 0.50 -0.07 120.40 135.55 2dhx s VAL 13 Ca 0.62 0.61 0.03 0.00 0.00 0.00 0.00 61.98 63.24 2dhx s VAL 13 Cb -0.19 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2dhx s VAL 13 CO 0.26 0.49 -0.09 -0.60 0.00 0.00 0.00 175.10 175.16 2dhx s ARG 14 N -0.31 0.62 -0.21 2.72 3.52 0.27 -1.25 118.95 124.31 2dhx s ARG 14 Ca 0.19 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2dhx s ARG 14 Cb -0.14 -0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 2dhx s ARG 14 CO 0.07 0.11 0.19 0.41 -0.81 0.00 0.00 175.30 175.28 2dhx n GLY 15 N 1.86 -0.07 2.98 8.12 0.00 -1.26 0.20 105.19 117.02 2dhx n GLY 15 Ca -0.19 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.99 1.47 0.51 0.99 2.96 -1.24 -3.93 118.68 116.45 2dhx s LEU 16 Ca 0.05 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.48 2dhx s LEU 16 Cb -0.01 -0.80 -0.07 0.00 0.50 0.00 0.00 46.19 45.81 2dhx s LEU 16 CO 0.18 -0.02 1.04 -2.16 -1.32 0.00 0.00 176.35 174.06 2dhx s PRO 17 N 1.02 3.68 0.02 0.98 0.04 -1.26 -4.34 135.00 135.14 2dhx s PRO 17 Ca -0.08 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 2dhx s PRO 17 Cb -0.15 -2.08 -0.21 0.00 0.04 0.00 0.00 34.50 32.10 2dhx s PRO 17 CO -0.01 -0.52 1.15 -1.00 0.04 0.00 0.00 177.00 176.66 2dhx h PRO 18 N 1.25 0.46 -1.24 0.56 0.13 -1.93 -3.20 132.00 128.03 2dhx h PRO 18 Ca -0.49 -0.45 0.45 0.00 -0.87 0.00 0.00 66.00 64.64 2dhx h PRO 18 Cb 1.22 0.12 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 2dhx h PRO 18 CO 0.59 1.09 0.76 0.00 -0.23 0.00 0.00 178.00 180.21 2dhx h ALA 19 N 0.38 2.58 -2.18 -0.56 0.00 -2.01 -3.34 119.26 114.14 2dhx h ALA 19 Ca -0.06 0.18 -0.57 0.00 0.00 0.00 0.00 54.91 54.45 2dhx h ALA 19 Cb 1.27 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 2dhx h ALA 19 CO 0.12 -1.30 0.67 0.08 0.00 0.00 0.00 179.25 178.82 2dhx s VAL 20 N -5.36 4.74 1.13 0.00 1.01 -1.21 -5.03 120.40 115.67 2dhx s VAL 20 Ca -0.08 1.98 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 2dhx s VAL 20 Cb 0.32 -4.29 0.27 0.00 0.00 0.00 0.00 36.38 32.68 2dhx s VAL 20 CO 0.81 -0.09 1.24 -2.16 0.00 0.00 0.00 175.10 174.89 2dhx s PRO 21 N 2.68 -0.65 -0.04 2.72 0.04 -1.26 -4.90 135.00 133.60 2dhx s PRO 21 Ca 0.45 -0.38 -0.23 0.00 0.04 0.00 0.00 61.00 60.89 2dhx s PRO 21 Cb -0.16 -1.69 -0.25 0.00 0.04 0.00 0.00 34.50 32.43 2dhx s PRO 21 CO 0.11 -3.28 1.01 0.38 0.04 0.00 0.00 177.00 175.26 2dhx h ASP 22 N -2.27 0.37 -0.77 6.66 2.03 -1.96 -3.08 116.42 117.41 2dhx h ASP 22 Ca -0.43 -0.82 0.14 0.00 -0.73 0.00 0.00 57.03 55.19 2dhx h ASP 22 Cb 1.25 -0.11 -0.14 0.00 -0.83 0.00 0.00 39.33 39.49 2dhx h ASP 22 CO 0.30 1.14 -0.22 -1.84 -1.03 0.00 0.00 179.24 177.59 2dhx n GLU 23 N -4.34 -0.10 0.09 4.15 0.00 -1.26 0.11 120.64 119.30 2dhx n GLU 23 Ca -0.11 1.19 -0.13 0.00 0.00 0.00 0.00 57.16 58.11 2dhx n GLU 23 Cb 0.62 -1.77 -0.08 0.00 0.00 0.00 0.00 31.44 30.21 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 -1.27 -1.84 3.38 -1.96 0.59 115.31 114.01 2dhx h LEU 24 Ca 0.34 -0.24 0.46 0.00 0.09 0.00 0.00 57.88 58.52 2dhx h LEU 24 Cb 0.53 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 2dhx h LEU 24 CO -0.78 0.15 0.78 -0.11 0.09 0.00 0.00 178.44 178.57 2dhx n LEU 25 N -5.05 0.25 -0.09 1.67 7.94 0.29 0.37 117.00 122.39 2dhx n LEU 25 Ca -0.09 1.45 -0.21 0.00 -1.11 0.00 0.00 56.01 56.05 2dhx n LEU 25 Cb 0.23 -0.71 -0.12 0.00 0.53 0.00 0.00 43.42 43.35 2dhx n LEU 25 CO 0.32 -1.59 -0.38 0.71 -1.11 0.00 0.00 177.39 175.34 2dhx h THR 26 N 0.00 1.06 -1.40 1.96 1.35 -0.53 -2.95 112.91 112.40 2dhx h THR 26 Ca 0.86 -2.23 0.41 0.00 -0.55 0.00 0.00 66.41 64.90 2dhx h THR 26 Cb 2.66 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 71.48 2dhx h THR 26 CO -0.54 0.42 1.01 0.17 -0.25 0.00 0.00 175.52 176.32 2dhx h LEU 27 N -0.90 0.01 0.00 3.87 8.10 0.44 1.58 115.31 128.42 2dhx h LEU 27 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.70 2dhx h LEU 27 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.54 2dhx h LEU 27 CO -0.14 -0.00 -0.08 0.22 -4.11 0.00 0.00 178.44 174.32 2dhx h TYR 28 N 0.01 0.00 -0.43 0.17 3.20 -0.20 -2.71 116.97 117.01 2dhx h TYR 28 Ca 0.67 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.67 2dhx h TYR 28 Cb 2.67 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.92 2dhx h TYR 28 CO -0.00 0.00 0.39 0.74 -1.64 0.00 0.00 178.16 177.65 2dhx h PHE 29 N -0.59 0.00 -0.00 -3.82 0.04 -1.11 -0.02 116.94 111.44 2dhx h PHE 29 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2dhx h PHE 29 Cb 0.08 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.24 2dhx h PHE 29 CO -0.04 0.00 -0.47 0.93 -0.60 0.00 0.00 178.31 178.14 2dhx h GLU 30 N 0.00 0.33 -6.86 1.51 5.08 0.22 -3.36 114.58 111.50 2dhx h GLU 30 Ca 0.21 -0.35 -0.52 0.00 -1.00 0.00 0.00 59.36 57.70 2dhx h GLU 30 Cb 0.99 0.10 0.06 0.00 0.50 0.00 0.00 28.75 30.40 2dhx h GLU 30 CO -0.00 1.03 0.66 1.21 -1.00 0.00 0.00 179.01 180.91 2dhx s ASN 31 N -6.59 6.75 -0.00 1.42 2.47 -0.02 -4.36 114.94 114.61 2dhx s ASN 31 Ca -0.14 2.68 -0.06 0.00 0.42 0.00 0.00 52.86 55.76 2dhx s ASN 31 Cb 0.03 -2.65 -0.29 0.00 -1.45 0.00 0.00 41.25 36.89 2dhx s ASN 31 CO 0.79 -0.56 0.84 0.08 -3.72 0.00 0.00 177.10 174.53 2dhx h ARG 32 N 3.65 0.31 -0.03 0.43 0.11 -1.87 -3.00 114.38 113.99 2dhx h ARG 32 Ca -0.48 -0.53 -0.00 0.00 0.10 0.00 0.00 59.98 59.06 2dhx h ARG 32 Cb 1.23 0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.50 2dhx h ARG 32 CO 0.67 1.20 0.01 0.00 0.10 0.00 0.00 179.97 181.95 2dhx h ARG 33 N 0.09 0.04 0.74 0.08 2.47 -1.91 -0.66 114.38 115.23 2dhx h ARG 33 Ca -0.26 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 2dhx h ARG 33 Cb 2.05 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 30.36 2dhx h ARG 33 CO 0.18 0.22 -0.45 0.00 0.56 0.00 0.00 179.97 180.48 2dhx h ARG 34 N -0.14 -1.08 0.00 0.04 2.47 -1.84 -3.42 114.38 110.40 2dhx h ARG 34 Ca 0.01 0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2dhx h ARG 34 Cb 0.20 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2dhx h ARG 34 CO -0.00 -0.72 0.00 0.45 0.56 0.00 0.00 179.97 180.26 2dhx n SER 35 N -5.59 0.00 0.00 7.04 2.88 -1.14 -4.93 113.62 111.88 2dhx n SER 35 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2dhx n SER 35 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 2.99 0.64 0.00 0.46 0.00 -0.26 -4.93 105.19 104.09 2dhx n GLY 36 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.84 0.00 -0.02 0.00 -1.26 -3.16 105.19 99.91 2dhx n GLY 37 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.03 0.98 3.79 -0.02 0.00 -1.23 -4.65 105.19 104.02 2dhx n GLY 38 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 1.65 1.16 -0.15 1.61 0.04 -1.26 -3.83 135.00 134.22 2dhx s PRO 39 Ca 0.00 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.35 2dhx s PRO 39 Cb 0.00 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2dhx s PRO 39 CO 0.00 -2.18 -0.20 0.08 0.04 0.00 0.00 177.00 174.74 2dhx s VAL 40 N -3.28 1.93 0.02 -0.36 1.01 -1.26 -3.24 120.40 115.22 2dhx s VAL 40 Ca 0.64 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 2dhx s VAL 40 Cb -0.15 -1.73 -0.17 0.00 0.00 0.00 0.00 36.38 34.34 2dhx s VAL 40 CO 0.53 0.52 1.29 0.25 0.00 0.00 0.00 175.10 177.69 2dhx h LEU 41 N 7.55 -0.38 -8.23 3.92 7.12 -1.71 -3.44 115.31 120.14 2dhx h LEU 41 Ca -0.36 -0.15 -0.14 0.00 0.13 0.00 0.00 57.88 57.36 2dhx h LEU 41 Cb 1.17 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.37 2dhx h LEU 41 CO 0.56 -0.04 0.08 -0.55 -0.13 0.00 0.00 178.44 178.36 2dhx s SER 42 N -5.02 0.46 -0.13 1.25 0.15 -1.21 -5.00 113.70 104.21 2dhx s SER 42 Ca -0.14 -1.34 -0.05 0.00 0.70 0.00 0.00 55.95 55.12 2dhx s SER 42 Cb 0.02 0.79 0.06 0.00 -1.71 0.00 0.00 66.02 65.18 2dhx s SER 42 CO 0.55 -1.55 0.27 0.86 1.20 0.00 0.00 173.24 174.57 2dhx s TRP 43 N -2.50 -0.42 -0.38 3.44 -0.00 -1.26 -2.24 118.94 115.58 2dhx s TRP 43 Ca 0.22 0.95 -0.04 0.00 -0.00 0.00 0.00 56.10 57.23 2dhx s TRP 43 Cb -0.03 -0.01 0.08 0.00 -0.00 0.00 0.00 33.47 33.51 2dhx s TRP 43 CO 0.16 -0.33 0.16 -1.14 -0.00 0.00 0.00 176.95 175.80 2dhx s GLN 44 N 2.17 2.31 -0.22 5.86 0.74 0.57 -5.01 119.66 126.09 2dhx s GLN 44 Ca -0.01 -1.54 -0.26 0.00 0.05 0.00 0.00 55.36 53.60 2dhx s GLN 44 Cb -0.12 -3.52 -0.00 0.00 1.10 0.00 0.00 33.01 30.47 2dhx s GLN 44 CO -0.09 -0.89 0.91 0.50 -0.55 0.00 0.00 175.29 175.17 2dhx s ARG 45 N 1.26 4.24 -0.46 1.67 3.52 -1.26 -0.14 118.95 127.79 2dhx s ARG 45 Ca 0.03 1.12 0.03 0.00 -0.13 0.00 0.00 55.73 56.78 2dhx s ARG 45 Cb -0.22 -3.62 0.14 0.00 -1.56 0.00 0.00 34.95 29.69 2dhx s ARG 45 CO -0.01 -0.51 0.28 -0.51 -0.81 0.00 0.00 175.30 173.74 2dhx s LEU 46 N 2.78 2.71 0.00 -0.88 2.01 -0.76 -4.92 118.68 119.63 2dhx s LEU 46 Ca 0.39 -2.80 0.00 0.00 0.01 0.00 0.00 54.13 51.73 2dhx s LEU 46 Cb -0.16 -1.00 0.00 0.00 0.01 0.00 0.00 46.19 45.04 2dhx s LEU 46 CO 0.08 -0.24 0.00 0.61 1.01 0.00 0.00 176.35 177.82 2dhx n GLY 47 N 3.30 1.72 0.07 -3.19 0.00 -1.26 -3.84 105.19 102.00 2dhx n GLY 47 Ca 0.13 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 1.60 0.44 0.00 0.00 0.00 -1.25 -3.73 105.19 102.24 2dhx n GLY 49 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 5.00 3.61 3.66 -0.02 0.00 -0.38 -1.82 105.19 115.24 2dhx n GLY 50 Ca 0.00 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 2dhx n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dhx s VAL 51 N -2.02 5.05 0.15 1.61 1.01 0.81 -0.37 120.40 126.63 2dhx s VAL 51 Ca 0.00 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.17 2dhx s VAL 51 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2dhx s VAL 51 CO 0.00 0.14 0.01 -0.22 0.00 0.00 0.00 175.10 175.03 2dhx s LEU 52 N 1.77 3.39 -0.03 3.92 0.20 -0.30 -0.31 118.68 127.31 2dhx s LEU 52 Ca 0.28 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.85 2dhx s LEU 52 Cb -0.16 -2.06 -0.02 0.00 -0.43 0.00 0.00 46.19 43.52 2dhx s LEU 52 CO 0.10 0.11 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.14 2dhx s THR 53 N -1.60 1.96 -0.18 3.68 2.01 -0.95 0.12 115.64 120.68 2dhx s THR 53 Ca 0.27 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 2dhx s THR 53 Cb -0.10 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 2dhx s THR 53 CO 0.19 0.55 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.23 2dhx s PHE 54 N -0.40 2.92 0.13 4.92 0.40 -0.45 -2.08 117.98 123.43 2dhx s PHE 54 Ca 0.04 -0.73 -0.26 0.00 -0.60 0.00 0.00 56.93 55.38 2dhx s PHE 54 Cb -0.11 -1.99 -0.06 0.00 0.51 0.00 0.00 43.02 41.37 2dhx s PHE 54 CO 0.01 -0.34 1.36 -2.13 0.70 0.00 0.00 175.22 174.81 2dhx n ARG 55 N 4.12 -0.37 -3.90 0.44 0.63 -1.20 -4.37 116.66 112.02 2dhx n ARG 55 Ca -0.18 1.33 -0.25 0.00 -0.92 0.00 0.00 57.85 57.83 2dhx n ARG 55 Cb 0.52 -1.96 -0.03 0.00 0.45 0.00 0.00 32.46 31.44 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 -5.26 3.45 -0.08 -0.14 2.02 -1.26 -4.84 118.70 112.59 2dhx s GLU 56 Ca -0.10 -0.58 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 2dhx s GLU 56 Cb 0.09 -2.93 -0.18 0.00 0.10 0.00 0.00 34.13 31.22 2dhx s GLU 56 CO 0.52 0.48 0.82 -1.00 0.02 0.00 0.00 175.26 176.10 2dhx h PRO 57 N 1.95 -0.10 -0.91 0.39 0.13 -1.97 -2.79 132.00 128.70 2dhx h PRO 57 Ca -0.49 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2dhx h PRO 57 Cb 1.20 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2dhx h PRO 57 CO 0.67 0.44 0.55 0.00 -0.23 0.00 0.00 178.00 179.44 2dhx h ALA 58 N -0.17 1.25 0.00 -0.56 0.00 -1.96 0.11 119.26 117.93 2dhx h ALA 58 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2dhx h ALA 58 Cb 0.60 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dhx h ALA 58 CO 0.02 0.64 -0.03 -0.44 0.00 0.00 0.00 179.25 179.44 2dhx h ASP 59 N 1.26 0.00 0.00 0.00 5.19 -1.83 0.32 116.42 121.36 2dhx h ASP 59 Ca 0.33 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.71 2dhx h ASP 59 Cb -0.06 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 2dhx h ASP 59 CO -0.06 0.03 -0.16 0.00 -3.12 0.00 0.00 179.24 175.93 2dhx h ALA 60 N 1.97 0.03 -0.79 3.45 0.00 -0.60 -3.26 119.26 120.05 2dhx h ALA 60 Ca -0.00 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.58 2dhx h ALA 60 Cb 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2dhx h ALA 60 CO 0.00 0.10 0.52 0.93 0.00 0.00 0.00 179.25 180.80 2dhx h GLU 61 N -1.00 0.73 -0.39 0.00 4.39 -0.56 0.17 114.58 117.92 2dhx h GLU 61 Ca -0.04 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.73 2dhx h GLU 61 Cb 0.70 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2dhx h GLU 61 CO -0.02 0.48 0.35 0.00 -1.16 0.00 0.00 179.01 178.66 2dhx h ARG 62 N 0.75 0.00 0.09 2.33 2.47 -0.48 0.40 114.38 119.94 2dhx h ARG 62 Ca 0.36 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.83 2dhx h ARG 62 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2dhx h ARG 62 CO -0.14 0.00 -1.28 0.28 0.56 0.00 0.00 179.97 179.40 2dhx h VAL 63 N 0.00 1.08 -0.93 2.04 2.07 -0.64 -3.34 116.25 116.53 2dhx h VAL 63 Ca 0.19 -2.37 0.08 0.00 0.82 0.00 0.00 66.70 65.41 2dhx h VAL 63 Cb 0.89 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 33.31 2dhx h VAL 63 CO -0.00 0.65 0.60 -0.07 0.02 0.00 0.00 177.57 178.77 2dhx h LEU 64 N -0.44 0.91 -1.35 2.57 3.38 -0.37 -0.64 115.31 119.37 2dhx h LEU 64 Ca -0.28 0.02 0.47 0.00 0.09 0.00 0.00 57.88 58.17 2dhx h LEU 64 Cb 1.65 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 42.08 2dhx h LEU 64 CO 0.02 0.56 0.86 0.00 0.09 0.00 0.00 178.44 179.98 2dhx n ALA 65 N -2.39 1.34 -2.60 1.53 0.00 0.13 -3.75 120.51 114.77 2dhx n ALA 65 Ca 0.15 0.86 -0.42 0.00 0.00 0.00 0.00 53.44 54.03 2dhx n ALA 65 Cb 0.24 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -5.22 3.87 0.00 0.00 -0.21 -0.25 -4.89 119.66 112.96 2dhx s GLN 66 Ca -0.07 0.40 0.23 0.00 0.02 0.00 0.00 55.36 55.94 2dhx s GLN 66 Cb 0.30 -3.76 1.36 0.00 1.00 0.00 0.00 33.01 31.92 2dhx s GLN 66 CO 0.80 -0.71 1.85 0.00 -2.12 0.00 0.00 175.29 175.12 2dhx n ALA 67 N 6.18 2.59 -2.52 6.09 0.00 -1.25 -4.72 120.51 126.89 2dhx n ALA 67 Ca 0.02 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 2dhx n ALA 67 Cb 0.48 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.76 2.31 -0.13 0.00 2.15 -1.26 -4.82 116.67 113.17 2dhx s ASP 68 Ca 0.34 -0.51 -0.09 0.00 0.43 0.00 0.00 52.55 52.72 2dhx s ASP 68 Cb 0.16 -0.18 0.04 0.00 -0.30 0.00 0.00 42.92 42.64 2dhx s ASP 68 CO 0.26 0.13 0.31 -1.00 -0.17 0.00 0.00 175.17 174.71 2dhx s HIS 69 N -0.82 -0.40 -0.08 -5.34 3.76 -1.24 -5.01 115.29 106.15 2dhx s HIS 69 Ca 0.06 0.93 0.05 0.00 -0.15 0.00 0.00 55.06 55.95 2dhx s HIS 69 Cb -0.09 0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.73 2dhx s HIS 69 CO 0.02 -0.23 -0.23 -2.00 -0.85 0.00 0.00 174.74 171.44 2dhx s GLU 70 N 0.83 2.87 -0.33 1.40 2.12 -1.26 -1.00 118.70 123.33 2dhx s GLU 70 Ca -0.05 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.44 2dhx s GLU 70 Cb -0.06 -2.27 0.16 0.00 0.26 0.00 0.00 34.13 32.22 2dhx s GLU 70 CO -0.06 0.27 0.44 -1.17 -0.54 0.00 0.00 175.26 174.20 2dhx s LEU 71 N 0.12 -0.73 -0.99 2.70 2.96 -1.04 -4.95 118.68 116.75 2dhx s LEU 71 Ca -0.12 -0.77 -0.05 0.00 -0.22 0.00 0.00 54.13 52.96 2dhx s LEU 71 Cb -0.16 1.12 -0.06 0.00 0.50 0.00 0.00 46.19 47.59 2dhx s LEU 71 CO 0.07 -0.30 0.88 1.41 -1.32 0.00 0.00 176.35 177.09 2dhx n HIS 72 N 4.89 -2.47 -3.32 5.38 8.25 -1.26 -3.91 115.22 122.78 2dhx n HIS 72 Ca 0.05 0.87 -0.23 0.00 -0.26 0.00 0.00 57.72 58.16 2dhx n HIS 72 Cb 0.50 -4.09 0.02 0.00 1.12 0.00 0.00 29.99 27.53 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 -1.29 -0.71 3.65 -1.41 0.00 -1.26 -5.01 105.19 99.15 2dhx n GLY 73 Ca -0.06 1.00 0.01 0.00 0.00 0.00 0.00 46.02 46.97 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 -2.28 -2.53 -0.73 4.61 0.00 -1.25 -5.08 121.76 114.50 2dhx s ALA 74 Ca 0.23 1.93 -0.22 0.00 0.00 0.00 0.00 51.96 53.89 2dhx s ALA 74 Cb -0.04 -1.91 0.08 0.00 0.00 0.00 0.00 23.12 21.26 2dhx s ALA 74 CO 0.83 -0.27 1.02 -0.65 0.00 0.00 0.00 175.76 176.70 2dhx s GLN 75 N 0.81 3.23 -0.09 0.00 -0.21 -1.26 -2.51 119.66 119.64 2dhx s GLN 75 Ca -0.04 -1.03 -0.30 0.00 0.02 0.00 0.00 55.36 54.01 2dhx s GLN 75 Cb -0.03 -4.42 -0.02 0.00 1.00 0.00 0.00 33.01 29.54 2dhx s GLN 75 CO -0.11 -1.83 1.07 -0.51 -2.12 0.00 0.00 175.29 171.78 2dhx s LEU 76 N 3.84 4.26 -0.61 2.90 2.01 -0.17 -4.83 118.68 126.07 2dhx s LEU 76 Ca 0.25 1.62 -0.21 0.00 0.01 0.00 0.00 54.13 55.81 2dhx s LEU 76 Cb -0.14 -3.56 0.08 0.00 0.01 0.00 0.00 46.19 42.59 2dhx s LEU 76 CO 0.05 -0.49 0.84 -0.44 1.01 0.00 0.00 176.35 177.32 2dhx s SER 77 N 1.21 6.19 0.19 2.29 0.01 0.54 -3.61 113.70 120.54 2dhx s SER 77 Ca 0.51 -1.09 -0.19 0.00 1.31 0.00 0.00 55.95 56.49 2dhx s SER 77 Cb -0.20 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2dhx s SER 77 CO 0.19 -1.25 0.69 -0.76 0.41 0.00 0.00 173.24 172.52 2dhx s LEU 78 N 3.42 4.37 0.10 2.44 2.01 -1.26 0.97 118.68 130.73 2dhx s LEU 78 Ca 0.18 1.37 -0.16 0.00 0.01 0.00 0.00 54.13 55.54 2dhx s LEU 78 Cb -0.19 -3.46 0.03 0.00 0.01 0.00 0.00 46.19 42.58 2dhx s LEU 78 CO 0.10 0.08 0.38 -0.13 1.01 0.00 0.00 176.35 177.78 2dhx s ARG 79 N -1.84 1.00 -0.27 1.70 0.52 0.89 -4.93 118.95 116.01 2dhx s ARG 79 Ca 0.41 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 2dhx s ARG 79 Cb -0.17 0.44 -0.00 0.00 0.52 0.00 0.00 34.95 35.73 2dhx s ARG 79 CO 0.21 -0.37 1.34 -1.25 0.02 0.00 0.00 175.30 175.25 2dhx s PRO 80 N -3.42 3.93 0.77 3.54 0.04 -1.26 0.13 135.00 138.73 2dhx s PRO 80 Ca 0.01 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 2dhx s PRO 80 Cb 0.01 -3.89 0.06 0.00 0.04 0.00 0.00 34.50 30.72 2dhx s PRO 80 CO -0.09 -1.10 1.12 0.00 0.04 0.00 0.00 177.00 176.97 2dhx s ALA 81 N 4.40 2.13 0.72 8.56 0.00 -1.18 -4.59 121.76 131.80 2dhx s ALA 81 Ca 0.58 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2dhx s ALA 81 Cb -0.18 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2dhx s ALA 81 CO 0.23 -1.87 1.07 -1.25 0.00 0.00 0.00 175.76 173.94 2dhx s PRO 82 N -4.54 2.74 0.85 0.00 0.04 -1.26 -4.85 135.00 127.98 2dhx s PRO 82 Ca 0.65 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 2dhx s PRO 82 Cb -0.21 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.46 2dhx s PRO 82 CO 0.52 -1.22 1.11 -1.25 0.04 0.00 0.00 177.00 176.20 2dhx s PRO 83 N -5.07 1.67 -0.08 0.56 0.04 -1.26 -4.62 135.00 126.24 2dhx s PRO 83 Ca 0.59 0.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 2dhx s PRO 83 Cb -0.14 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2dhx s PRO 83 CO 0.55 -1.87 0.05 -2.13 0.04 0.00 0.00 177.00 173.64 2dhx n ARG 84 N -3.58 -1.98 -4.40 4.56 0.63 -1.26 -5.00 116.66 105.63 2dhx n ARG 84 Ca 0.07 1.77 -0.28 0.00 -0.92 0.00 0.00 57.85 58.49 2dhx n ARG 84 Cb 0.58 -2.35 -0.12 0.00 0.45 0.00 0.00 32.46 31.01 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 -0.64 2.49 0.59 5.13 0.00 -1.26 -5.13 121.76 122.94 2dhx s ALA 85 Ca -0.06 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.21 2dhx s ALA 85 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2dhx s ALA 85 CO 0.27 0.49 1.05 -1.25 0.00 0.00 0.00 175.76 176.32 2dhx s PRO 86 N -2.37 3.37 0.00 0.00 0.04 -1.26 -4.88 135.00 129.90 2dhx s PRO 86 Ca 0.18 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2dhx s PRO 86 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2dhx s PRO 86 CO 0.08 -0.76 0.00 0.00 0.04 0.00 0.00 177.00 176.36 2dhx n ALA 87 N -2.04 0.00 -3.65 8.56 0.00 -1.26 -5.15 120.51 116.98 2dhx n ALA 87 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 2dhx n ALA 87 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.62 0.21 -0.07 0.00 3.52 -1.26 -5.16 118.95 115.57 2dhx s ARG 88 Ca 0.00 0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.93 2dhx s ARG 88 Cb 0.00 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 2dhx s ARG 88 CO 0.00 -0.03 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.18 2dhx s LEU 89 N 0.69 2.96 -0.27 -0.88 0.20 -1.26 -5.10 118.68 115.01 2dhx s LEU 89 Ca -0.02 -0.12 -0.13 0.00 0.69 0.00 0.00 54.13 54.55 2dhx s LEU 89 Cb -0.04 -1.63 0.09 0.00 -0.43 0.00 0.00 46.19 44.18 2dhx s LEU 89 CO -0.12 0.34 0.65 -1.48 -0.29 0.00 0.00 176.35 175.44 2dhx s LEU 90 N -0.66 -0.94 0.66 -0.68 2.34 -1.26 -5.15 118.68 113.00 2dhx s LEU 90 Ca 0.10 1.47 -0.17 0.00 0.06 0.00 0.00 54.13 55.59 2dhx s LEU 90 Cb -0.11 2.24 0.00 0.00 -0.56 0.00 0.00 46.19 47.76 2dhx s LEU 90 CO 0.01 -0.23 1.26 -0.76 -1.06 0.00 0.00 176.35 175.57 2dhx s LEU 91 N 2.06 3.51 0.28 1.48 2.01 -1.26 -5.02 118.68 121.74 2dhx s LEU 91 Ca -0.08 2.52 0.08 0.00 0.01 0.00 0.00 54.13 56.65 2dhx s LEU 91 Cb -0.08 -4.61 -0.04 0.00 0.01 0.00 0.00 46.19 41.48 2dhx s LEU 91 CO -0.19 -2.03 0.17 -1.58 1.01 0.00 0.00 176.35 173.73 2dhx s GLN 92 N -3.52 2.71 0.21 1.70 0.74 -1.26 -5.13 119.66 115.11 2dhx s GLN 92 Ca 0.80 -1.22 0.07 0.00 0.05 0.00 0.00 55.36 55.05 2dhx s GLN 92 Cb -0.34 -2.43 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 2dhx s GLN 92 CO 0.40 0.30 0.08 0.20 -0.55 0.00 0.00 175.29 175.72 2dhx s GLY 93 N -3.84 1.63 0.13 2.59 0.00 -1.26 -5.12 107.32 101.45 2dhx s GLY 93 Ca 0.35 -1.40 -0.14 0.00 0.00 0.00 0.00 44.72 43.52 2dhx s GLY 93 CO 0.24 -1.43 0.54 1.08 0.00 0.00 0.00 173.10 173.53 2dhx s LEU 94 N -3.36 4.36 0.94 0.66 2.01 -1.26 -5.08 118.68 116.94 2dhx s LEU 94 Ca 0.30 1.08 -0.13 0.00 0.01 0.00 0.00 54.13 55.39 2dhx s LEU 94 Cb -0.09 -3.21 0.15 0.00 0.01 0.00 0.00 46.19 43.06 2dhx s LEU 94 CO 0.22 0.12 1.15 -2.16 1.01 0.00 0.00 176.35 176.69 2dhx s PRO 95 N -1.88 0.92 1.04 1.29 0.04 -1.26 -5.06 135.00 130.10 2dhx s PRO 95 Ca 0.37 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 2dhx s PRO 95 Cb -0.15 -1.82 0.22 0.00 0.04 0.00 0.00 34.50 32.78 2dhx s PRO 95 CO 0.19 -2.33 1.20 -1.25 0.04 0.00 0.00 177.00 174.85 2dhx s PRO 96 N -5.34 0.04 -0.26 0.56 0.04 -1.26 -5.09 135.00 123.69 2dhx s PRO 96 Ca 0.65 -0.12 -0.10 0.00 0.04 0.00 0.00 61.00 61.47 2dhx s PRO 96 Cb -0.14 -1.75 0.11 0.00 0.04 0.00 0.00 34.50 32.76 2dhx s PRO 96 CO 0.53 -2.86 0.56 0.20 0.04 0.00 0.00 177.00 175.48 2dhx s GLY 97 N -4.32 -0.57 -0.30 0.56 0.00 -1.26 -5.14 107.32 96.29 2dhx s GLY 97 Ca 0.70 2.03 -0.19 0.00 0.00 0.00 0.00 44.72 47.27 2dhx s GLY 97 CO 0.54 2.68 1.25 -1.08 0.00 0.00 0.00 173.10 176.49 2dhx s THR 98 N 2.54 -0.12 0.20 0.90 -1.32 -1.26 -5.18 115.64 111.40 2dhx s THR 98 Ca -0.05 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.25 2dhx s THR 98 Cb -0.11 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 2dhx s THR 98 CO -0.17 0.00 0.86 -1.20 -2.21 0.00 0.00 174.62 171.91 2dhx n SER 99 N 4.68 -1.63 -3.76 8.08 7.64 -1.26 -5.18 113.62 122.20 2dhx n SER 99 Ca -0.07 -1.92 -0.13 0.00 1.01 0.00 0.00 58.87 57.76 2dhx n SER 99 Cb 0.55 2.66 -0.13 0.00 -1.01 0.00 0.00 64.21 66.28 2dhx n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dhx s GLY 100 N -3.17 -0.12 0.69 0.23 0.00 -1.26 -5.16 107.32 98.53 2dhx s GLY 100 Ca 0.19 0.75 -0.11 0.00 0.00 0.00 0.00 44.72 45.55 2dhx s GLY 100 CO 0.06 0.89 1.06 2.56 0.00 0.00 0.00 173.10 177.67 2dhx s PRO 101 N 0.78 2.97 -0.22 2.90 0.04 -1.26 -5.07 135.00 135.14 2dhx s PRO 101 Ca -0.06 0.97 -0.36 0.00 0.04 0.00 0.00 61.00 61.59 2dhx s PRO 101 Cb -0.07 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.62 2dhx s PRO 101 CO -0.04 -1.07 1.29 -1.54 0.04 0.00 0.00 177.00 175.67 2dhx s SER 102 N -3.73 -0.08 0.19 6.66 1.04 -1.26 -5.19 113.70 111.33 2dhx s SER 102 Ca 0.58 -0.00 -0.04 0.00 0.48 0.00 0.00 55.95 56.97 2dhx s SER 102 Cb -0.14 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2dhx s SER 102 CO 0.54 -0.14 0.19 -0.55 0.98 0.00 0.00 173.24 174.25 2dhx s SER 103 N -2.15 0.13 0.00 7.02 0.15 -1.26 -5.36 113.70 112.23 2dhx s SER 103 Ca 0.11 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2dhx s SER 103 Cb -0.01 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2dhx s SER 103 CO -0.04 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.15