#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhx s SER 2 N 0.00 0.01 0.38 1.61 1.04 -1.26 -5.16 113.70 110.32 2dhx s SER 2 Ca 0.00 0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.57 2dhx s SER 2 Cb 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2dhx s SER 2 CO 0.00 -0.08 0.21 -0.44 0.98 0.00 0.00 173.24 173.91 2dhx s SER 3 N 0.63 4.71 -0.59 7.02 0.01 -1.26 -5.02 113.70 119.20 2dhx s SER 3 Ca -0.05 -0.85 -0.26 0.00 1.31 0.00 0.00 55.95 56.09 2dhx s SER 3 Cb -0.07 -0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.44 2dhx s SER 3 CO -0.02 -0.46 2.41 -0.83 0.41 0.00 0.00 173.24 174.75 2dhx s GLY 4 N -3.93 -0.58 0.14 3.44 0.00 -1.26 -3.65 107.32 101.48 2dhx s GLY 4 Ca 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.88 2dhx s GLY 4 CO 0.24 4.18 0.00 -1.26 0.00 0.00 0.00 173.10 176.26 2dhx n SER 5 N 16.88 -1.25 -3.68 1.64 2.88 -1.26 -5.12 113.62 123.71 2dhx n SER 5 Ca 0.40 0.51 -0.11 0.00 -1.33 0.00 0.00 58.87 58.34 2dhx n SER 5 Cb 0.51 1.44 -0.11 0.00 -0.75 0.00 0.00 64.21 65.30 2dhx n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dhx s SER 6 N -2.00 -0.10 0.00 -3.46 1.04 -1.24 -4.96 113.70 102.98 2dhx s SER 6 Ca 0.00 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2dhx s SER 6 Cb 0.00 0.90 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2dhx s SER 6 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2dhx n GLY 7 N 5.02 2.66 0.00 7.32 0.00 -1.26 -4.75 105.19 114.17 2dhx n GLY 7 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.11 1.61 3.01 -0.02 0.00 -1.26 -4.93 105.19 104.70 2dhx n GLY 8 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 1.46 -0.01 1.61 1.01 -1.26 -5.04 120.40 118.15 2dhx s VAL 9 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2dhx s VAL 9 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2dhx s VAL 9 CO 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.41 2dhx s ALA 10 N 1.36 1.04 -0.13 5.51 0.00 -1.26 -0.73 121.76 127.56 2dhx s ALA 10 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2dhx s ALA 10 Cb -0.13 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2dhx s ALA 10 CO -0.07 0.25 -0.18 0.08 0.00 0.00 0.00 175.76 175.84 2dhx s VAL 11 N -0.29 1.73 -0.36 0.00 1.01 0.45 -3.05 120.40 119.90 2dhx s VAL 11 Ca 0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2dhx s VAL 11 Cb -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2dhx s VAL 11 CO -0.00 0.49 1.38 -0.70 0.00 0.00 0.00 175.10 176.27 2dhx s GLU 12 N 0.98 3.72 -0.11 2.72 -6.30 0.42 -1.05 118.70 119.07 2dhx s GLU 12 Ca -0.05 1.10 -0.12 0.00 -2.50 0.00 0.00 54.97 53.40 2dhx s GLU 12 Cb -0.15 -3.97 -0.05 0.00 0.00 0.00 0.00 34.13 29.96 2dhx s GLU 12 CO -0.03 -1.38 0.26 0.08 0.02 0.00 0.00 175.26 174.22 2dhx s VAL 13 N 5.02 5.30 0.02 3.70 1.01 -0.13 -0.09 120.40 135.23 2dhx s VAL 13 Ca 0.60 0.50 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2dhx s VAL 13 Cb -0.16 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2dhx s VAL 13 CO 0.29 0.51 -0.05 -0.60 0.00 0.00 0.00 175.10 175.24 2dhx s ARG 14 N -0.38 0.40 -0.19 2.72 3.52 0.22 -1.46 118.95 123.78 2dhx s ARG 14 Ca 0.17 -0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 2dhx s ARG 14 Cb -0.13 -0.23 -0.00 0.00 -1.56 0.00 0.00 34.95 33.03 2dhx s ARG 14 CO 0.06 0.05 0.18 0.41 -0.81 0.00 0.00 175.30 175.18 2dhx n GLY 15 N 2.10 -0.50 2.80 8.12 0.00 -1.08 0.19 105.19 116.82 2dhx n GLY 15 Ca -0.19 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.56 0.85 0.50 0.99 2.96 -1.26 -3.87 118.68 116.29 2dhx s LEU 16 Ca 0.01 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.66 2dhx s LEU 16 Cb -0.00 -0.35 -0.08 0.00 0.50 0.00 0.00 46.19 46.26 2dhx s LEU 16 CO 0.19 -0.15 1.04 -2.16 -1.32 0.00 0.00 176.35 173.95 2dhx s PRO 17 N 1.52 3.76 0.13 0.98 0.04 -1.26 -4.01 135.00 136.15 2dhx s PRO 17 Ca -0.02 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.29 2dhx s PRO 17 Cb -0.13 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2dhx s PRO 17 CO -0.03 -0.46 1.32 -1.00 0.04 0.00 0.00 177.00 176.86 2dhx h PRO 18 N 1.44 0.51 -0.97 0.56 0.13 -2.00 -3.19 132.00 128.47 2dhx h PRO 18 Ca -0.49 -0.50 0.31 0.00 -0.87 0.00 0.00 66.00 64.45 2dhx h PRO 18 Cb 1.22 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.32 2dhx h PRO 18 CO 0.59 1.13 0.45 0.00 -0.23 0.00 0.00 178.00 179.94 2dhx h ALA 19 N 0.70 1.76 -2.23 -0.56 0.00 -2.02 -3.36 119.26 113.55 2dhx h ALA 19 Ca -0.07 0.22 -0.56 0.00 0.00 0.00 0.00 54.91 54.50 2dhx h ALA 19 Cb 1.51 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 2dhx h ALA 19 CO 0.16 -0.59 0.85 0.08 0.00 0.00 0.00 179.25 179.75 2dhx s VAL 20 N -5.74 4.15 0.62 0.00 1.01 -1.21 -5.00 120.40 114.23 2dhx s VAL 20 Ca -0.11 1.43 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 2dhx s VAL 20 Cb 0.29 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2dhx s VAL 20 CO 0.78 -0.07 1.05 -2.16 0.00 0.00 0.00 175.10 174.70 2dhx s PRO 21 N 3.03 3.24 0.36 2.72 0.04 -1.26 -4.93 135.00 138.20 2dhx s PRO 21 Ca 0.58 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2dhx s PRO 21 Cb -0.25 -2.03 0.70 0.00 0.04 0.00 0.00 34.50 32.96 2dhx s PRO 21 CO 0.19 -0.86 2.00 0.38 0.04 0.00 0.00 177.00 178.75 2dhx h ASP 22 N 0.09 0.68 -0.75 6.66 2.03 -1.94 -2.50 116.42 120.68 2dhx h ASP 22 Ca -0.46 -0.01 0.11 0.00 -0.73 0.00 0.00 57.03 55.94 2dhx h ASP 22 Cb 1.21 -0.16 -0.13 0.00 -0.83 0.00 0.00 39.33 39.43 2dhx h ASP 22 CO 0.58 0.48 -0.42 -0.08 -1.03 0.00 0.00 179.24 178.76 2dhx h GLU 23 N 0.79 -0.12 0.13 4.15 4.81 -1.99 0.20 114.58 122.54 2dhx h GLU 23 Ca 0.25 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2dhx h GLU 23 Cb 0.02 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2dhx h GLU 23 CO -0.06 -0.08 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.01 2dhx h LEU 24 N -0.12 -0.14 -1.00 1.64 3.38 -1.84 0.66 115.31 117.89 2dhx h LEU 24 Ca 0.24 -0.12 0.31 0.00 0.09 0.00 0.00 57.88 58.40 2dhx h LEU 24 Cb 0.56 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.16 2dhx h LEU 24 CO -0.81 0.04 0.15 0.25 0.09 0.00 0.00 178.44 178.16 2dhx h LEU 25 N -0.32 -0.29 0.00 1.67 5.85 -0.66 0.71 115.31 122.27 2dhx h LEU 25 Ca -0.02 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2dhx h LEU 25 Cb 0.26 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2dhx h LEU 25 CO 0.03 -0.38 -0.00 0.71 -0.34 0.00 0.00 178.44 178.45 2dhx h THR 26 N 0.00 1.55 -1.19 1.05 1.35 -0.34 -2.80 112.91 112.53 2dhx h THR 26 Ca 0.67 -2.16 0.39 0.00 -0.55 0.00 0.00 66.41 64.76 2dhx h THR 26 Cb 1.49 2.93 -0.13 0.00 -1.73 0.00 0.00 68.15 70.71 2dhx h THR 26 CO -0.89 0.52 0.75 0.17 -0.25 0.00 0.00 175.52 175.82 2dhx h LEU 27 N -1.00 0.32 0.09 3.87 8.10 0.30 1.59 115.31 128.59 2dhx h LEU 27 Ca -0.00 0.15 -0.00 0.00 0.11 0.00 0.00 57.88 58.14 2dhx h LEU 27 Cb 0.86 0.13 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 2dhx h LEU 27 CO -0.00 -0.17 -0.04 0.22 -4.11 0.00 0.00 178.44 174.34 2dhx h TYR 28 N 0.16 -0.11 -0.99 0.17 3.20 0.21 -1.72 116.97 117.88 2dhx h TYR 28 Ca 0.78 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.88 2dhx h TYR 28 Cb 2.25 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 40.47 2dhx h TYR 28 CO -0.01 -0.07 0.64 0.74 -1.64 0.00 0.00 178.16 177.82 2dhx h PHE 29 N -0.31 0.71 -0.18 -3.82 0.04 -0.99 0.70 116.94 113.10 2dhx h PHE 29 Ca -0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 2dhx h PHE 29 Cb 0.09 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2dhx h PHE 29 CO 0.05 0.12 -0.00 0.93 -0.60 0.00 0.00 178.31 178.81 2dhx h GLU 30 N 0.48 0.32 -6.95 1.51 5.08 0.22 -3.33 114.58 111.91 2dhx h GLU 30 Ca 0.56 -0.10 -0.54 0.00 -1.00 0.00 0.00 59.36 58.27 2dhx h GLU 30 Cb 1.28 -0.03 0.11 0.00 0.50 0.00 0.00 28.75 30.61 2dhx h GLU 30 CO -0.28 0.54 0.77 -0.80 -1.00 0.00 0.00 179.01 178.24 2dhx s ASN 31 N -5.83 6.32 -0.06 1.42 0.01 0.24 -4.18 114.94 112.85 2dhx s ASN 31 Ca -0.14 3.04 0.03 0.00 -0.71 0.00 0.00 52.86 55.08 2dhx s ASN 31 Cb 0.06 -2.67 -0.25 0.00 0.41 0.00 0.00 41.25 38.81 2dhx s ASN 31 CO 0.73 -0.89 0.58 0.08 -1.51 0.00 0.00 177.10 176.10 2dhx h ARG 32 N 2.97 0.13 -0.23 -0.60 0.11 -1.84 -3.07 114.38 111.84 2dhx h ARG 32 Ca -0.51 -0.22 -0.17 0.00 0.10 0.00 0.00 59.98 59.18 2dhx h ARG 32 Cb 1.24 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.40 2dhx h ARG 32 CO 0.64 0.84 -0.53 0.00 0.10 0.00 0.00 179.97 181.03 2dhx h ARG 33 N 0.04 0.68 0.54 0.08 2.47 -1.92 0.15 114.38 116.42 2dhx h ARG 33 Ca -0.33 -0.42 -0.03 0.00 -1.26 0.00 0.00 59.98 57.95 2dhx h ARG 33 Cb 2.02 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 30.39 2dhx h ARG 33 CO 0.09 1.04 -0.26 0.00 0.56 0.00 0.00 179.97 181.40 2dhx h ARG 34 N 0.53 -0.69 0.00 0.04 2.47 -1.84 -3.43 114.38 111.45 2dhx h ARG 34 Ca 0.02 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2dhx h ARG 34 Cb 1.09 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2dhx h ARG 34 CO 0.11 -0.39 -0.23 -1.13 0.56 0.00 0.00 179.97 178.89 2dhx n SER 35 N -5.32 1.28 0.00 7.04 3.41 -1.21 -4.98 113.62 113.84 2dhx n SER 35 Ca -0.11 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2dhx n SER 35 Cb 0.33 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2dhx n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dhx n GLY 36 N 3.06 0.76 0.01 5.00 0.00 0.53 -4.92 105.19 109.64 2dhx n GLY 36 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.09 0.00 -0.02 0.00 -1.26 -3.88 105.19 99.94 2dhx n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.02 -0.50 3.79 -0.02 0.00 -1.25 -4.51 105.19 103.73 2dhx n GLY 38 Ca 0.00 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.85 4.06 -0.17 1.61 0.04 -1.26 -3.88 135.00 133.56 2dhx s PRO 39 Ca 0.00 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 2dhx s PRO 39 Cb 0.00 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2dhx s PRO 39 CO 0.00 -0.23 0.09 0.08 0.04 0.00 0.00 177.00 176.98 2dhx s VAL 40 N -1.74 5.02 -0.02 -0.36 1.01 -1.26 -2.07 120.40 120.98 2dhx s VAL 40 Ca 0.60 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 2dhx s VAL 40 Cb -0.21 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 32.80 2dhx s VAL 40 CO 0.26 0.50 0.90 0.25 0.00 0.00 0.00 175.10 177.00 2dhx h LEU 41 N 6.26 -0.43 -8.49 3.92 7.12 -1.56 -3.44 115.31 118.69 2dhx h LEU 41 Ca -0.42 -0.11 -0.27 0.00 0.13 0.00 0.00 57.88 57.21 2dhx h LEU 41 Cb 1.18 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 41.35 2dhx h LEU 41 CO 0.68 0.01 -0.14 -0.55 -0.13 0.00 0.00 178.44 178.32 2dhx s SER 42 N -5.01 0.93 -0.16 1.25 0.15 -1.08 -5.00 113.70 104.78 2dhx s SER 42 Ca -0.12 -1.50 -0.05 0.00 0.70 0.00 0.00 55.95 54.99 2dhx s SER 42 Cb 0.01 0.70 0.08 0.00 -1.71 0.00 0.00 66.02 65.09 2dhx s SER 42 CO 0.40 -1.36 0.30 0.86 1.20 0.00 0.00 173.24 174.63 2dhx s TRP 43 N -2.88 -0.51 -0.51 3.44 -0.00 -1.26 -2.20 118.94 115.03 2dhx s TRP 43 Ca 0.29 1.01 -0.06 0.00 -0.00 0.00 0.00 56.10 57.34 2dhx s TRP 43 Cb -0.01 0.01 0.13 0.00 -0.00 0.00 0.00 33.47 33.60 2dhx s TRP 43 CO 0.20 -0.42 0.34 -1.14 -0.00 0.00 0.00 176.95 175.94 2dhx s GLN 44 N 2.46 2.40 0.13 5.86 0.74 0.93 -5.00 119.66 127.18 2dhx s GLN 44 Ca 0.02 -1.99 -0.30 0.00 0.05 0.00 0.00 55.36 53.13 2dhx s GLN 44 Cb -0.13 -3.80 -0.07 0.00 1.10 0.00 0.00 33.01 30.12 2dhx s GLN 44 CO -0.10 -1.16 1.12 0.50 -0.55 0.00 0.00 175.29 175.10 2dhx s ARG 45 N 0.90 4.55 0.00 1.67 3.52 -1.26 0.19 118.95 128.52 2dhx s ARG 45 Ca 0.10 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 2dhx s ARG 45 Cb -0.23 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 2dhx s ARG 45 CO -0.03 -0.02 0.00 1.28 -0.81 0.00 0.00 175.30 175.72 2dhx n LEU 46 N 2.91 0.00 -4.60 -0.88 4.77 0.12 -4.86 117.00 114.45 2dhx n LEU 46 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 2dhx n LEU 46 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2dhx n LEU 46 CO 0.54 0.00 1.66 -0.83 -1.33 0.00 0.00 177.39 177.43 2dhx s GLY 47 N -0.12 0.73 -0.84 -0.72 0.00 -1.26 -3.20 107.32 101.92 2dhx s GLY 47 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 2dhx s GLY 47 CO 0.00 3.49 0.66 0.00 0.00 0.00 0.00 173.10 177.25 2dhx n GLY 49 N -1.71 0.30 0.00 0.00 0.00 -1.19 -2.65 105.19 99.94 2dhx n GLY 49 Ca -0.19 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 3.67 3.66 -0.02 0.00 -0.54 0.15 105.19 112.12 2dhx n GLY 50 Ca 0.00 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.06 4.98 -0.05 1.61 1.01 0.13 -0.96 120.40 125.07 2dhx s VAL 51 Ca 0.00 1.30 0.01 0.00 0.00 0.00 0.00 61.98 63.29 2dhx s VAL 51 Cb 0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2dhx s VAL 51 CO 0.00 0.09 -0.05 -0.22 0.00 0.00 0.00 175.10 174.92 2dhx s LEU 52 N 1.97 3.28 -0.16 3.92 0.20 -0.21 -0.05 118.68 127.63 2dhx s LEU 52 Ca 0.31 -0.02 -0.03 0.00 0.69 0.00 0.00 54.13 55.09 2dhx s LEU 52 Cb -0.16 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2dhx s LEU 52 CO 0.11 0.34 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.55 2dhx s THR 53 N -0.90 3.53 -0.17 3.68 2.01 -0.93 0.17 115.64 123.03 2dhx s THR 53 Ca 0.14 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 2dhx s THR 53 Cb -0.11 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2dhx s THR 53 CO 0.04 0.49 0.09 -0.36 -0.69 0.00 0.00 174.62 174.19 2dhx s PHE 54 N 0.55 3.35 0.13 4.92 0.40 0.09 -1.60 117.98 125.83 2dhx s PHE 54 Ca -0.05 0.23 -0.25 0.00 -0.60 0.00 0.00 56.93 56.26 2dhx s PHE 54 Cb -0.15 -2.06 -0.06 0.00 0.51 0.00 0.00 43.02 41.26 2dhx s PHE 54 CO 0.03 0.30 1.44 -0.09 0.70 0.00 0.00 175.22 177.61 2dhx h ARG 55 N 6.33 -0.01 -6.20 0.44 2.43 -1.70 -3.38 114.38 112.29 2dhx h ARG 55 Ca -0.42 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.26 2dhx h ARG 55 Cb 1.17 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 2dhx h ARG 55 CO 0.69 -0.00 -0.49 -1.21 -1.51 0.00 0.00 179.97 177.45 2dhx s GLU 56 N -5.05 2.91 -0.03 0.20 0.41 -1.26 -4.80 118.70 111.07 2dhx s GLU 56 Ca -0.10 -1.10 -0.23 0.00 -0.41 0.00 0.00 54.97 53.12 2dhx s GLU 56 Cb 0.09 -2.57 -0.22 0.00 -1.78 0.00 0.00 34.13 29.65 2dhx s GLU 56 CO 0.51 0.30 1.08 -1.00 -0.49 0.00 0.00 175.26 175.66 2dhx h PRO 57 N 1.38 0.22 -0.46 0.39 0.13 -1.96 -2.66 132.00 129.04 2dhx h PRO 57 Ca -0.48 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.42 2dhx h PRO 57 Cb 1.24 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2dhx h PRO 57 CO 0.60 0.91 0.21 0.00 -0.23 0.00 0.00 178.00 179.49 2dhx h ALA 58 N 0.31 0.60 -1.00 -0.56 0.00 -1.96 0.14 119.26 116.80 2dhx h ALA 58 Ca -0.03 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.86 2dhx h ALA 58 Cb 0.99 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 2dhx h ALA 58 CO 0.06 0.18 0.63 -0.44 0.00 0.00 0.00 179.25 179.68 2dhx h ASP 59 N 0.61 0.95 -0.24 0.00 5.19 -1.79 0.83 116.42 121.96 2dhx h ASP 59 Ca 0.16 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.49 2dhx h ASP 59 Cb 0.14 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 2dhx h ASP 59 CO -0.02 0.54 -0.27 0.00 -3.12 0.00 0.00 179.24 176.37 2dhx h ALA 60 N 1.52 0.36 0.13 3.45 0.00 -1.01 -3.13 119.26 120.58 2dhx h ALA 60 Ca 0.47 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dhx h ALA 60 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dhx h ALA 60 CO -0.23 0.36 -0.06 0.93 0.00 0.00 0.00 179.25 180.25 2dhx h GLU 61 N 0.32 -0.17 -0.51 0.00 4.39 0.80 -1.17 114.58 118.25 2dhx h GLU 61 Ca 0.04 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.89 2dhx h GLU 61 Cb 0.84 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 2dhx h GLU 61 CO 0.07 -0.04 0.74 -0.09 -1.16 0.00 0.00 179.01 178.52 2dhx h ARG 62 N -0.25 0.00 0.12 2.33 2.43 0.60 0.92 114.38 120.53 2dhx h ARG 62 Ca -0.02 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 2dhx h ARG 62 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2dhx h ARG 62 CO 0.03 0.00 -1.48 0.28 -1.51 0.00 0.00 179.97 177.29 2dhx h VAL 63 N 0.00 0.98 -0.86 0.20 2.07 -1.24 -3.35 116.25 114.05 2dhx h VAL 63 Ca 0.24 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.37 2dhx h VAL 63 Cb 1.71 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 34.12 2dhx h VAL 63 CO -0.00 0.72 0.55 -0.07 0.02 0.00 0.00 177.57 178.79 2dhx h LEU 64 N -0.27 1.01 -1.70 2.57 3.38 0.18 -1.46 115.31 119.01 2dhx h LEU 64 Ca -0.32 -0.04 0.52 0.00 0.09 0.00 0.00 57.88 58.14 2dhx h LEU 64 Cb 1.79 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 42.19 2dhx h LEU 64 CO 0.06 0.75 1.18 0.00 0.09 0.00 0.00 178.44 180.52 2dhx n ALA 65 N -2.35 1.65 -2.56 1.53 0.00 0.13 -3.66 120.51 115.26 2dhx n ALA 65 Ca 0.09 0.72 -0.42 0.00 0.00 0.00 0.00 53.44 53.83 2dhx n ALA 65 Cb 0.03 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 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 -4.97 3.58 0.00 0.00 -0.21 -0.55 -4.89 119.66 112.63 2dhx s GLN 66 Ca -0.06 -0.02 0.25 0.00 0.02 0.00 0.00 55.36 55.55 2dhx s GLN 66 Cb 0.28 -3.85 1.47 0.00 1.00 0.00 0.00 33.01 31.91 2dhx s GLN 66 CO 0.84 -0.84 1.89 0.00 -2.12 0.00 0.00 175.29 175.07 2dhx n ALA 67 N 6.19 2.54 -2.48 6.09 0.00 -1.24 -4.71 120.51 126.90 2dhx n ALA 67 Ca -0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 2dhx n ALA 67 Cb 0.48 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.88 2.46 -0.22 0.00 -1.08 -1.26 -4.83 116.67 109.86 2dhx s ASP 68 Ca 0.37 -0.51 -0.03 0.00 -0.52 0.00 0.00 52.55 51.85 2dhx s ASP 68 Cb 0.17 -0.21 0.12 0.00 -1.46 0.00 0.00 42.92 41.54 2dhx s ASP 68 CO 0.29 0.16 0.34 -1.00 0.52 0.00 0.00 175.17 175.48 2dhx s HIS 69 N -0.78 -0.69 -0.16 -5.34 3.76 -1.25 -5.02 115.29 105.81 2dhx s HIS 69 Ca 0.07 0.78 -0.14 0.00 -0.15 0.00 0.00 55.06 55.62 2dhx s HIS 69 Cb -0.09 -0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.52 2dhx s HIS 69 CO 0.02 -0.65 0.30 -2.00 -0.85 0.00 0.00 174.74 171.56 2dhx s GLU 70 N 2.50 4.26 -0.33 1.40 2.12 -1.26 -1.49 118.70 125.89 2dhx s GLU 70 Ca 0.10 0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.57 2dhx s GLU 70 Cb -0.15 -3.42 0.16 0.00 0.26 0.00 0.00 34.13 30.98 2dhx s GLU 70 CO -0.14 0.24 0.42 -1.17 -0.54 0.00 0.00 175.26 174.07 2dhx s LEU 71 N 0.47 -0.63 -0.94 2.70 2.96 -1.13 -4.96 118.68 117.15 2dhx s LEU 71 Ca 0.17 -0.84 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 2dhx s LEU 71 Cb -0.13 1.02 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 2dhx s LEU 71 CO 0.04 -0.30 0.76 1.41 -1.32 0.00 0.00 176.35 176.94 2dhx n HIS 72 N 4.87 -2.38 -3.06 5.38 8.25 -1.26 -3.92 115.22 123.09 2dhx n HIS 72 Ca 0.05 0.81 -0.09 0.00 -0.26 0.00 0.00 57.72 58.23 2dhx n HIS 72 Cb 0.49 -3.68 0.01 0.00 1.12 0.00 0.00 29.99 27.93 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 -1.62 -1.44 0.00 -1.41 0.00 -1.26 -4.98 105.19 94.48 2dhx n GLY 73 Ca -0.10 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.59 0.00 -3.44 4.61 0.00 -1.25 -5.05 120.51 115.96 2dhx n ALA 74 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 2dhx n ALA 74 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.12 3.09 0.03 0.00 -2.07 -1.26 -2.82 119.66 115.52 2dhx s GLN 75 Ca 0.00 -2.21 -0.30 0.00 -1.82 0.00 0.00 55.36 51.03 2dhx s GLN 75 Cb 0.00 -4.19 -0.06 0.00 -1.09 0.00 0.00 33.01 27.68 2dhx s GLN 75 CO 0.00 -1.26 1.31 -0.51 -1.32 0.00 0.00 175.29 173.52 2dhx s LEU 76 N 0.61 4.34 -0.68 2.60 2.01 -0.56 -4.85 118.68 122.14 2dhx s LEU 76 Ca 0.13 2.08 -0.21 0.00 0.01 0.00 0.00 54.13 56.14 2dhx s LEU 76 Cb -0.19 -3.57 0.09 0.00 0.01 0.00 0.00 46.19 42.53 2dhx s LEU 76 CO -0.04 -0.62 0.91 -0.44 1.01 0.00 0.00 176.35 177.17 2dhx s SER 77 N 1.45 6.24 0.16 2.29 0.01 0.50 -3.96 113.70 120.39 2dhx s SER 77 Ca 0.61 -1.28 -0.21 0.00 1.31 0.00 0.00 55.95 56.39 2dhx s SER 77 Cb -0.31 -2.38 -0.08 0.00 0.21 0.00 0.00 66.02 63.46 2dhx s SER 77 CO 0.27 -1.29 0.69 -0.76 0.41 0.00 0.00 173.24 172.56 2dhx s LEU 78 N 3.45 4.48 0.10 2.44 2.01 -1.26 0.69 118.68 130.59 2dhx s LEU 78 Ca 0.20 1.44 -0.16 0.00 0.01 0.00 0.00 54.13 55.63 2dhx s LEU 78 Cb -0.17 -3.28 0.03 0.00 0.01 0.00 0.00 46.19 42.78 2dhx s LEU 78 CO 0.06 0.16 0.38 -0.13 1.01 0.00 0.00 176.35 177.84 2dhx s ARG 79 N -1.45 1.01 -0.34 1.70 0.52 0.87 -4.95 118.95 116.30 2dhx s ARG 79 Ca 0.36 -0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 54.63 2dhx s ARG 79 Cb -0.20 0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.72 2dhx s ARG 79 CO 0.22 -0.38 1.37 -1.25 0.02 0.00 0.00 175.30 175.29 2dhx s PRO 80 N -3.50 3.76 0.90 3.54 0.04 -1.26 0.16 135.00 138.63 2dhx s PRO 80 Ca 0.01 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2dhx s PRO 80 Cb 0.02 -3.95 0.13 0.00 0.04 0.00 0.00 34.50 30.73 2dhx s PRO 80 CO -0.10 -1.33 1.10 0.00 0.04 0.00 0.00 177.00 176.71 2dhx s ALA 81 N 4.89 1.51 -0.33 8.56 0.00 -1.17 -4.60 121.76 130.62 2dhx s ALA 81 Ca 0.59 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 2dhx s ALA 81 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2dhx s ALA 81 CO 0.28 -2.44 1.36 -1.25 0.00 0.00 0.00 175.76 173.71 2dhx s PRO 82 N -4.82 3.80 -0.67 0.00 0.04 -1.26 -4.85 135.00 127.24 2dhx s PRO 82 Ca 0.64 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 2dhx s PRO 82 Cb -0.19 -3.94 -0.13 0.00 0.04 0.00 0.00 34.50 30.28 2dhx s PRO 82 CO 0.58 -1.27 2.64 -0.35 0.04 0.00 0.00 177.00 178.64 2dhx n PRO 83 N 7.57 2.20 -3.53 0.56 -0.04 -1.26 -4.72 135.00 135.79 2dhx n PRO 83 Ca 0.16 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 2dhx n PRO 83 Cb 0.47 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.34 -1.95 -3.67 0.54 0.63 -1.26 -5.07 116.66 109.23 2dhx n ARG 84 Ca 0.47 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.31 2dhx n ARG 84 Cb 0.41 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.22 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 -1.21 -1.21 -0.19 5.13 0.00 -1.26 -4.88 121.76 118.14 2dhx s ALA 85 Ca 0.00 1.60 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 2dhx s ALA 85 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 2dhx s ALA 85 CO 0.00 -0.62 1.29 -1.25 0.00 0.00 0.00 175.76 175.18 2dhx s PRO 86 N 2.26 4.16 0.00 0.00 0.04 -1.26 -4.73 135.00 135.47 2dhx s PRO 86 Ca -0.04 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2dhx s PRO 86 Cb -0.11 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2dhx s PRO 86 CO -0.13 -0.80 0.00 0.00 0.04 0.00 0.00 177.00 176.11 2dhx n ALA 87 N 6.85 0.00 -2.78 8.56 0.00 -1.26 -5.11 120.51 126.77 2dhx n ALA 87 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2dhx n ALA 87 Cb 0.45 0.00 0.01 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 0.00 0.26 0.20 0.00 6.06 -1.26 -5.15 118.95 119.07 2dhx s ARG 88 Ca 0.00 -0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.09 2dhx s ARG 88 Cb 0.00 0.02 0.00 0.00 0.06 0.00 0.00 34.95 35.03 2dhx s ARG 88 CO 0.00 -0.37 0.00 1.28 -2.50 0.00 0.00 175.30 173.71 2dhx n LEU 89 N 3.50 0.00 -3.95 -0.88 7.99 -1.26 -4.39 117.00 118.01 2dhx n LEU 89 Ca 0.08 0.87 -0.33 0.00 -0.01 0.00 0.00 56.01 56.61 2dhx n LEU 89 Cb 0.63 -2.66 -0.07 0.00 -0.11 0.00 0.00 43.42 41.21 2dhx n LEU 89 CO -0.10 -1.60 0.29 -0.11 -1.51 0.00 0.00 177.39 174.36 2dhx n LEU 90 N 0.00 4.08 -4.62 2.23 0.00 -1.26 -5.06 117.00 112.36 2dhx n LEU 90 Ca 0.01 -5.21 -0.44 0.00 0.00 0.00 0.00 56.01 50.37 2dhx n LEU 90 Cb 0.37 -0.97 -0.01 0.00 0.00 0.00 0.00 43.42 42.80 2dhx n LEU 90 CO 0.01 1.69 0.68 0.18 0.00 0.00 0.00 177.39 179.95 2dhx n LEU 91 N 1.91 2.33 -2.86 -1.96 7.99 -1.26 -4.95 117.00 118.20 2dhx n LEU 91 Ca 0.23 1.19 0.03 0.00 -0.01 0.00 0.00 56.01 57.45 2dhx n LEU 91 Cb 0.37 -1.35 0.01 0.00 -0.11 0.00 0.00 43.42 42.34 2dhx n LEU 91 CO 0.38 -1.11 0.56 -1.58 -1.51 0.00 0.00 177.39 174.13 2dhx s GLN 92 N -1.57 0.06 0.00 3.23 2.00 -1.26 -5.16 119.66 116.96 2dhx s GLN 92 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 55.36 53.95 2dhx s GLN 92 Cb -0.67 0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.16 2dhx s GLN 92 CO 0.60 -0.10 0.00 0.41 -0.50 0.00 0.00 175.29 175.70 2dhx n GLY 93 N 4.09 4.09 3.68 2.59 0.00 -1.26 -5.17 105.19 113.20 2dhx n GLY 93 Ca 0.07 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 2dhx n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dhx s LEU 94 N 0.00 3.31 0.90 0.99 2.96 -1.26 -5.13 118.68 120.45 2dhx s LEU 94 Ca 0.00 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 2dhx s LEU 94 Cb 0.00 -1.87 0.13 0.00 0.50 0.00 0.00 46.19 44.95 2dhx s LEU 94 CO 0.00 0.02 1.13 -2.16 -1.32 0.00 0.00 176.35 174.02 2dhx s PRO 95 N -3.52 1.22 0.78 0.98 0.04 -1.26 -5.05 135.00 128.20 2dhx s PRO 95 Ca 0.31 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 2dhx s PRO 95 Cb -0.07 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.68 2dhx s PRO 95 CO 0.20 -2.15 1.09 -1.25 0.04 0.00 0.00 177.00 174.94 2dhx s PRO 96 N -5.27 2.20 0.00 0.56 0.04 -1.26 -5.07 135.00 126.21 2dhx s PRO 96 Ca 0.63 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2dhx s PRO 96 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2dhx s PRO 96 CO 0.53 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.43 2dhx n GLY 97 N -2.10 0.04 2.80 0.56 0.00 -1.26 -5.09 105.19 100.15 2dhx n GLY 97 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2dhx n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dhx s THR 98 N 0.62 0.19 0.17 2.61 -4.23 -1.26 -5.14 115.64 108.61 2dhx s THR 98 Ca 0.00 0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.42 2dhx s THR 98 Cb 0.00 -0.31 0.05 0.00 1.34 0.00 0.00 72.50 73.58 2dhx s THR 98 CO 0.00 0.17 0.55 -0.55 -0.54 0.00 0.00 174.62 174.24 2dhx s SER 99 N 1.25 -0.39 0.00 3.99 0.15 -1.26 -5.12 113.70 112.32 2dhx s SER 99 Ca -0.07 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2dhx s SER 99 Cb -0.13 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2dhx s SER 99 CO -0.02 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.03 2dhx n GLY 100 N -0.34 -0.67 3.77 9.45 0.00 -1.26 -5.18 105.19 110.97 2dhx n GLY 100 Ca -0.14 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.01 -0.01 1.61 0.04 -1.26 -5.09 135.00 130.27 2dhx s PRO 101 Ca 0.00 -0.15 -0.02 0.00 0.04 0.00 0.00 61.00 60.86 2dhx s PRO 101 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2dhx s PRO 101 CO 0.00 -2.89 0.06 0.45 0.04 0.00 0.00 177.00 174.65 2dhx s SER 102 N -4.35 -0.00 0.02 6.66 0.15 -1.26 -5.16 113.70 109.76 2dhx s SER 102 Ca 0.71 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 57.31 2dhx s SER 102 Cb -0.08 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 2dhx s SER 102 CO 0.54 -0.11 0.05 -0.55 1.20 0.00 0.00 173.24 174.37 2dhx s SER 103 N -0.39 0.15 0.00 5.45 0.15 -1.26 -5.38 113.70 112.42 2dhx s SER 103 Ca -0.05 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2dhx s SER 103 Cb -0.03 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2dhx s SER 103 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69