#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 -7.32 0.15 1.61 7.64 -1.26 -4.98 113.62 109.47 2dhx n SER 2 Ca 0.00 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.59 2dhx n SER 2 Cb 0.00 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 2dhx n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dhx n SER 3 N 0.38 -0.98 -1.07 6.43 2.88 -1.26 -5.17 113.62 114.84 2dhx n SER 3 Ca 0.02 0.54 0.15 0.00 -1.33 0.00 0.00 58.87 58.25 2dhx n SER 3 Cb 0.35 1.10 -0.04 0.00 -0.75 0.00 0.00 64.21 64.86 2dhx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhx n GLY 4 N 0.87 -1.78 2.94 0.46 0.00 -1.26 -4.99 105.19 101.42 2dhx n GLY 4 Ca 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 46.02 44.76 2dhx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dhx n SER 5 N -3.43 -6.95 -4.27 1.61 7.64 -1.26 -4.90 113.62 102.05 2dhx n SER 5 Ca 0.00 0.96 -0.44 0.00 1.01 0.00 0.00 58.87 60.40 2dhx n SER 5 Cb 0.49 -3.49 -0.06 0.00 -1.01 0.00 0.00 64.21 60.14 2dhx n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dhx s SER 6 N -1.22 6.07 0.00 6.43 1.04 -1.26 -4.97 113.70 119.78 2dhx s SER 6 Ca -0.02 -1.99 0.00 0.00 0.48 0.00 0.00 55.95 54.43 2dhx s SER 6 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2dhx s SER 6 CO 0.40 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2dhx n GLY 7 N 4.91 1.82 1.58 7.32 0.00 -1.26 -5.15 105.19 114.40 2dhx n GLY 7 Ca -0.08 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.84 -4.43 2.91 -0.02 0.00 -1.26 -5.05 105.19 96.49 2dhx n GLY 8 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.30 0.77 0.04 1.61 1.01 -1.26 -5.05 120.40 117.22 2dhx s VAL 9 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2dhx s VAL 9 Cb 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2dhx s VAL 9 CO 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 175.10 175.25 2dhx s ALA 10 N 1.23 1.20 -0.14 5.51 0.00 -1.26 -1.21 121.76 127.08 2dhx s ALA 10 Ca -0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 2dhx s ALA 10 Cb -0.14 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2dhx s ALA 10 CO -0.02 0.23 -0.06 0.08 0.00 0.00 0.00 175.76 175.98 2dhx s VAL 11 N -0.87 1.08 -0.29 0.00 1.01 0.49 -2.67 120.40 119.15 2dhx s VAL 11 Ca 0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2dhx s VAL 11 Cb -0.08 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 2dhx s VAL 11 CO 0.01 0.25 1.37 -0.70 0.00 0.00 0.00 175.10 176.03 2dhx s GLU 12 N 1.67 3.86 -0.10 2.72 -6.30 0.51 -0.56 118.70 120.49 2dhx s GLU 12 Ca 0.03 1.30 -0.12 0.00 -2.50 0.00 0.00 54.97 53.68 2dhx s GLU 12 Cb -0.14 -3.92 -0.05 0.00 0.00 0.00 0.00 34.13 30.02 2dhx s GLU 12 CO -0.08 -1.19 0.27 0.08 0.02 0.00 0.00 175.26 174.36 2dhx s VAL 13 N 4.62 5.29 0.04 3.70 1.01 0.19 -0.85 120.40 134.41 2dhx s VAL 13 Ca 0.59 0.51 0.03 0.00 0.00 0.00 0.00 61.98 63.12 2dhx s VAL 13 Cb -0.18 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2dhx s VAL 13 CO 0.25 0.52 -0.10 -0.60 0.00 0.00 0.00 175.10 175.16 2dhx s ARG 14 N -0.43 0.68 -0.28 2.72 3.52 0.73 -0.50 118.95 125.39 2dhx s ARG 14 Ca 0.18 -0.73 -0.00 0.00 -0.13 0.00 0.00 55.73 55.04 2dhx s ARG 14 Cb -0.14 -0.59 -0.00 0.00 -1.56 0.00 0.00 34.95 32.66 2dhx s ARG 14 CO 0.06 0.13 0.26 0.41 -0.81 0.00 0.00 175.30 175.35 2dhx n GLY 15 N 1.72 -0.47 2.87 8.12 0.00 -0.62 0.14 105.19 116.94 2dhx n GLY 15 Ca -0.20 0.03 -0.25 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 -2.90 1.02 0.61 0.99 2.96 -1.25 -3.76 118.68 116.33 2dhx s LEU 16 Ca 0.03 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 2dhx s LEU 16 Cb -0.00 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2dhx s LEU 16 CO 0.26 -0.13 1.05 -2.16 -1.32 0.00 0.00 176.35 174.05 2dhx s PRO 17 N 1.71 3.30 0.07 0.98 0.04 -1.26 -4.16 135.00 135.68 2dhx s PRO 17 Ca 0.03 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 2dhx s PRO 17 Cb -0.13 -2.03 -0.21 0.00 0.04 0.00 0.00 34.50 32.17 2dhx s PRO 17 CO -0.06 -0.82 1.22 -1.00 0.04 0.00 0.00 177.00 176.38 2dhx h PRO 18 N 0.22 0.69 -1.73 0.56 0.13 -2.00 -3.16 132.00 126.71 2dhx h PRO 18 Ca -0.46 -0.67 0.53 0.00 -0.87 0.00 0.00 66.00 64.53 2dhx h PRO 18 Cb 1.21 0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.42 2dhx h PRO 18 CO 0.58 1.27 1.21 0.00 -0.23 0.00 0.00 178.00 180.82 2dhx h ALA 19 N 0.44 3.46 -2.43 -0.56 0.00 -2.00 -3.34 119.26 114.84 2dhx h ALA 19 Ca -0.09 0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 2dhx h ALA 19 Cb 1.53 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 2dhx h ALA 19 CO 0.18 -2.06 0.32 0.08 0.00 0.00 0.00 179.25 177.76 2dhx s VAL 20 N -5.02 4.92 0.93 0.00 1.01 -1.19 -5.05 120.40 116.00 2dhx s VAL 20 Ca -0.06 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.30 2dhx s VAL 20 Cb 0.28 -4.08 0.15 0.00 0.00 0.00 0.00 36.38 32.73 2dhx s VAL 20 CO 0.87 0.05 1.15 -2.16 0.00 0.00 0.00 175.10 175.00 2dhx s PRO 21 N 2.10 0.99 -0.03 2.72 0.04 -1.25 -4.92 135.00 134.66 2dhx s PRO 21 Ca 0.35 0.23 -0.22 0.00 0.04 0.00 0.00 61.00 61.40 2dhx s PRO 21 Cb -0.16 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 2dhx s PRO 21 CO 0.12 -2.28 0.99 -0.44 0.04 0.00 0.00 177.00 175.42 2dhx h ASP 22 N -1.56 -0.28 -0.81 6.66 3.32 -1.96 -2.81 116.42 118.98 2dhx h ASP 22 Ca -0.50 -0.25 0.26 0.00 0.02 0.00 0.00 57.03 56.57 2dhx h ASP 22 Cb 1.32 0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.80 2dhx h ASP 22 CO 0.59 0.19 0.16 -1.84 -1.72 0.00 0.00 179.24 176.62 2dhx n GLU 23 N -5.02 -0.06 0.16 3.56 0.00 -1.26 -0.12 120.64 117.89 2dhx n GLU 23 Ca -0.08 1.18 -0.06 0.00 0.00 0.00 0.00 57.16 58.20 2dhx n GLU 23 Cb 0.26 -1.96 -0.03 0.00 0.00 0.00 0.00 31.44 29.71 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 -0.35 -0.89 -1.84 -0.00 -1.94 0.86 115.31 111.15 2dhx h LEU 24 Ca 0.56 0.01 0.35 0.00 -0.00 0.00 0.00 57.88 58.80 2dhx h LEU 24 Cb 1.29 0.09 -0.13 0.00 -0.00 0.00 0.00 40.66 41.91 2dhx h LEU 24 CO -0.72 -0.20 0.52 -0.11 -0.00 0.00 0.00 178.44 177.93 2dhx n LEU 25 N -3.44 0.24 -0.02 1.67 7.94 0.83 0.22 117.00 124.43 2dhx n LEU 25 Ca -0.05 1.23 -0.16 0.00 -1.11 0.00 0.00 56.01 55.92 2dhx n LEU 25 Cb 0.16 -0.60 -0.14 0.00 0.53 0.00 0.00 43.42 43.38 2dhx n LEU 25 CO 0.13 -1.37 0.25 0.71 -1.11 0.00 0.00 177.39 176.00 2dhx h THR 26 N 0.00 1.68 -0.99 1.96 1.35 -0.67 -2.81 112.91 113.43 2dhx h THR 26 Ca 0.68 -2.42 0.25 0.00 -0.55 0.00 0.00 66.41 64.37 2dhx h THR 26 Cb 1.93 3.30 -0.13 0.00 -1.73 0.00 0.00 68.15 71.52 2dhx h THR 26 CO -0.52 0.65 0.57 0.17 -0.25 0.00 0.00 175.52 176.14 2dhx h LEU 27 N -0.73 0.63 0.12 3.87 8.10 1.00 1.50 115.31 129.79 2dhx h LEU 27 Ca -0.06 0.14 -0.01 0.00 0.11 0.00 0.00 57.88 58.07 2dhx h LEU 27 Cb 1.26 0.05 0.00 0.00 -0.44 0.00 0.00 40.66 41.53 2dhx h LEU 27 CO 0.06 0.08 -0.06 0.22 -4.11 0.00 0.00 178.44 174.64 2dhx h TYR 28 N 0.55 -0.15 0.00 0.17 3.20 -0.47 -0.02 116.97 120.25 2dhx h TYR 28 Ca 0.64 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.51 2dhx h TYR 28 Cb 1.23 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.54 2dhx h TYR 28 CO -0.02 0.26 0.00 1.19 -1.64 0.00 0.00 178.16 177.95 2dhx n PHE 29 N -4.96 0.45 -0.03 -3.82 3.72 -0.10 -2.57 117.46 110.15 2dhx n PHE 29 Ca -0.09 0.18 -0.21 0.00 -0.05 0.00 0.00 57.45 57.28 2dhx n PHE 29 Cb 0.24 -0.80 -0.13 0.00 -0.94 0.00 0.00 39.48 37.86 2dhx n PHE 29 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2dhx h GLU 30 N 0.00 0.17 -6.33 -1.08 5.08 0.22 -3.33 114.58 109.32 2dhx h GLU 30 Ca 0.00 -0.29 -0.54 0.00 -1.00 0.00 0.00 59.36 57.53 2dhx h GLU 30 Cb 0.26 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dhx h GLU 30 CO 0.00 1.14 1.02 1.21 -1.00 0.00 0.00 179.01 181.38 2dhx s ASN 31 N -6.96 6.68 0.50 1.42 3.84 -0.04 -4.20 114.94 116.18 2dhx s ASN 31 Ca -0.23 2.27 0.29 0.00 0.21 0.00 0.00 52.86 55.40 2dhx s ASN 31 Cb 0.05 -2.55 1.12 0.00 -0.55 0.00 0.00 41.25 39.33 2dhx s ASN 31 CO 0.71 -0.88 1.90 0.08 -2.79 0.00 0.00 177.10 176.11 2dhx h ARG 32 N 8.94 0.00 0.02 0.43 0.11 -1.84 -2.42 114.38 119.62 2dhx h ARG 32 Ca -0.40 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.55 2dhx h ARG 32 Cb 1.18 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.27 2dhx h ARG 32 CO 0.94 0.08 -0.55 0.00 0.10 0.00 0.00 179.97 180.55 2dhx h ARG 33 N 0.00 0.33 0.42 0.08 2.47 -1.91 -2.49 114.38 113.28 2dhx h ARG 33 Ca -0.00 -0.39 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 2dhx h ARG 33 Cb 0.64 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2dhx h ARG 33 CO 0.01 1.08 -0.20 0.00 0.56 0.00 0.00 179.97 181.42 2dhx h ARG 34 N -0.25 -0.55 0.00 0.04 2.47 -1.79 -3.43 114.38 110.86 2dhx h ARG 34 Ca -0.07 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2dhx h ARG 34 Cb 1.29 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 2dhx h ARG 34 CO 0.11 -0.31 0.00 -1.13 0.56 0.00 0.00 179.97 179.20 2dhx n SER 35 N -5.29 0.00 0.00 7.04 3.41 -0.92 -5.06 113.62 112.80 2dhx n SER 35 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2dhx n SER 35 Cb 0.27 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 3.17 -0.02 0.00 5.00 0.00 -0.94 -4.82 105.19 107.59 2dhx n GLY 36 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 3.18 0.00 -0.02 0.00 -1.26 -4.07 105.19 103.02 2dhx n GLY 37 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.72 3.38 3.55 -0.02 0.00 -1.25 -4.72 105.19 108.85 2dhx n GLY 38 Ca 0.00 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 1.73 2.98 -0.35 1.61 0.04 -1.26 -4.04 135.00 135.70 2dhx s PRO 39 Ca 0.00 -0.15 -0.43 0.00 0.04 0.00 0.00 61.00 60.45 2dhx s PRO 39 Cb 0.00 -4.63 -0.18 0.00 0.04 0.00 0.00 34.50 29.73 2dhx s PRO 39 CO 0.00 -2.56 1.64 0.28 0.04 0.00 0.00 177.00 176.39 2dhx n VAL 40 N 7.00 0.14 0.37 -0.36 0.31 -1.26 -3.80 118.33 120.73 2dhx n VAL 40 Ca 0.21 -0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.33 2dhx n VAL 40 Cb 0.50 -0.83 -0.09 0.00 -0.91 0.00 0.00 33.84 32.51 2dhx n VAL 40 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2dhx h LEU 41 N 5.93 -0.93 -8.50 7.52 6.46 -1.60 -3.45 115.31 120.74 2dhx h LEU 41 Ca -0.46 0.05 -0.25 0.00 -0.12 0.00 0.00 57.88 57.10 2dhx h LEU 41 Cb 1.35 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 41.46 2dhx h LEU 41 CO 0.95 -0.61 -0.21 -0.55 -0.62 0.00 0.00 178.44 177.40 2dhx s SER 42 N -4.35 0.77 -0.18 1.25 0.15 -1.12 -4.98 113.70 105.24 2dhx s SER 42 Ca -0.18 -1.42 -0.07 0.00 0.70 0.00 0.00 55.95 54.98 2dhx s SER 42 Cb 0.04 0.64 0.08 0.00 -1.71 0.00 0.00 66.02 65.06 2dhx s SER 42 CO 0.62 -1.25 0.39 0.86 1.20 0.00 0.00 173.24 175.06 2dhx s TRP 43 N -3.24 -0.69 -0.41 3.44 -0.00 -1.26 -1.67 118.94 115.10 2dhx s TRP 43 Ca 0.30 1.38 0.02 0.00 -0.00 0.00 0.00 56.10 57.81 2dhx s TRP 43 Cb 0.00 0.24 0.11 0.00 -0.00 0.00 0.00 33.47 33.83 2dhx s TRP 43 CO 0.19 -0.43 0.15 -1.14 -0.00 0.00 0.00 176.95 175.72 2dhx s GLN 44 N 2.31 1.76 0.18 5.86 0.74 0.84 -5.00 119.66 126.35 2dhx s GLN 44 Ca -0.03 -2.06 -0.30 0.00 0.05 0.00 0.00 55.36 53.02 2dhx s GLN 44 Cb -0.11 -3.34 -0.08 0.00 1.10 0.00 0.00 33.01 30.57 2dhx s GLN 44 CO -0.12 -1.02 1.16 0.50 -0.55 0.00 0.00 175.29 175.26 2dhx s ARG 45 N 0.64 4.53 0.00 1.67 3.52 -1.26 0.01 118.95 128.06 2dhx s ARG 45 Ca 0.12 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 2dhx s ARG 45 Cb -0.21 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 2dhx s ARG 45 CO -0.05 -0.03 0.00 1.28 -0.81 0.00 0.00 175.30 175.69 2dhx n LEU 46 N 2.43 0.00 -4.66 -0.88 4.77 0.43 -4.87 117.00 114.22 2dhx n LEU 46 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 2dhx n LEU 46 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2dhx n LEU 46 CO 0.55 0.00 1.27 -0.83 -1.33 0.00 0.00 177.39 177.05 2dhx s GLY 47 N 0.00 1.60 -1.28 -0.72 0.00 -1.26 -3.30 107.32 102.36 2dhx s GLY 47 Ca 0.00 0.84 -0.25 0.00 0.00 0.00 0.00 44.72 45.30 2dhx s GLY 47 CO 0.00 2.85 0.48 0.00 0.00 0.00 0.00 173.10 176.43 2dhx n GLY 49 N -2.22 0.51 0.00 0.00 0.00 -1.21 -1.58 105.19 100.68 2dhx n GLY 49 Ca -0.17 -1.34 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 3.05 3.67 -0.02 0.00 0.34 0.16 105.19 112.39 2dhx n GLY 50 Ca 0.00 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 2dhx n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dhx s VAL 51 N -2.00 5.17 0.16 1.61 1.01 0.10 0.56 120.40 127.01 2dhx s VAL 51 Ca 0.00 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2dhx s VAL 51 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2dhx s VAL 51 CO 0.00 0.23 0.00 -0.22 0.00 0.00 0.00 175.10 175.11 2dhx s LEU 52 N 1.39 3.34 -0.08 3.92 0.20 0.27 -0.11 118.68 127.62 2dhx s LEU 52 Ca 0.21 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.72 2dhx s LEU 52 Cb -0.15 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 43.59 2dhx s LEU 52 CO 0.09 0.10 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.12 2dhx s THR 53 N -1.64 2.14 -0.21 3.68 2.01 -0.67 0.18 115.64 121.13 2dhx s THR 53 Ca 0.27 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 2dhx s THR 53 Cb -0.10 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2dhx s THR 53 CO 0.18 0.56 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.32 2dhx s PHE 54 N 0.05 3.02 0.20 4.92 0.40 -0.35 -1.63 117.98 124.59 2dhx s PHE 54 Ca -0.10 -0.57 -0.23 0.00 -0.60 0.00 0.00 56.93 55.43 2dhx s PHE 54 Cb -0.15 -2.11 0.11 0.00 0.51 0.00 0.00 43.02 41.37 2dhx s PHE 54 CO 0.06 -0.34 1.55 -0.09 0.70 0.00 0.00 175.22 177.10 2dhx h ARG 55 N 7.76 -0.05 -5.92 0.44 2.43 -1.87 -3.39 114.38 113.79 2dhx h ARG 55 Ca -0.37 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.18 2dhx h ARG 55 Cb 1.17 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 2dhx h ARG 55 CO 0.60 -0.03 -0.50 -1.21 -1.51 0.00 0.00 179.97 177.31 2dhx s GLU 56 N -5.80 3.41 -0.08 0.20 2.02 -1.26 -4.85 118.70 112.34 2dhx s GLU 56 Ca -0.13 -0.44 -0.27 0.00 0.02 0.00 0.00 54.97 54.14 2dhx s GLU 56 Cb 0.16 -3.03 -0.23 0.00 0.10 0.00 0.00 34.13 31.14 2dhx s GLU 56 CO 0.68 0.61 0.99 -1.00 0.02 0.00 0.00 175.26 176.56 2dhx h PRO 57 N 3.14 -0.01 -0.54 0.39 0.13 -1.97 -2.84 132.00 130.30 2dhx h PRO 57 Ca -0.45 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2dhx h PRO 57 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2dhx h PRO 57 CO 0.75 0.72 0.30 0.00 -0.23 0.00 0.00 178.00 179.54 2dhx h ALA 58 N 0.21 0.70 -0.80 -0.56 0.00 -1.96 0.08 119.26 116.94 2dhx h ALA 58 Ca -0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2dhx h ALA 58 Cb 0.73 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2dhx h ALA 58 CO 0.00 -0.02 0.52 -0.44 0.00 0.00 0.00 179.25 179.32 2dhx h ASP 59 N 0.59 0.59 0.21 0.00 5.19 -1.87 0.97 116.42 122.09 2dhx h ASP 59 Ca 0.23 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 2dhx h ASP 59 Cb 0.10 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2dhx h ASP 59 CO -0.14 0.33 -0.10 0.00 -3.12 0.00 0.00 179.24 176.22 2dhx h ALA 60 N 1.61 -0.28 -0.14 3.45 0.00 -0.76 -2.83 119.26 120.31 2dhx h ALA 60 Ca 0.38 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2dhx h ALA 60 Cb 0.59 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2dhx h ALA 60 CO -0.15 -0.53 -0.18 0.93 0.00 0.00 0.00 179.25 179.32 2dhx h GLU 61 N -0.52 -0.21 -0.96 0.00 4.39 -0.16 -0.64 114.58 116.48 2dhx h GLU 61 Ca -0.03 0.01 0.30 0.00 0.34 0.00 0.00 59.36 59.99 2dhx h GLU 61 Cb 0.39 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 28.93 2dhx h GLU 61 CO 0.05 -0.14 0.38 0.00 -1.16 0.00 0.00 179.01 178.14 2dhx h ARG 62 N -0.22 0.19 -0.31 2.33 3.08 -0.82 1.84 114.38 120.47 2dhx h ARG 62 Ca 0.10 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 2dhx h ARG 62 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2dhx h ARG 62 CO -0.27 0.13 -0.34 0.28 -1.07 0.00 0.00 179.97 178.69 2dhx h VAL 63 N 0.20 1.28 -0.10 2.04 2.07 -0.91 -2.67 116.25 118.17 2dhx h VAL 63 Ca 0.67 -1.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 2dhx h VAL 63 Cb 1.51 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 2dhx h VAL 63 CO -0.68 0.48 -0.46 -0.07 0.02 0.00 0.00 177.57 176.86 2dhx h LEU 64 N 0.59 0.26 -1.96 2.57 3.38 0.35 -2.86 115.31 117.63 2dhx h LEU 64 Ca 0.06 -0.12 0.57 0.00 0.09 0.00 0.00 57.88 58.48 2dhx h LEU 64 Cb 0.86 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2dhx h LEU 64 CO 0.07 0.69 1.39 0.00 0.09 0.00 0.00 178.44 180.68 2dhx h ALA 65 N 1.32 3.81 -2.81 1.53 0.00 0.16 -3.26 119.26 120.01 2dhx h ALA 65 Ca 0.01 -0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 2dhx h ALA 65 Cb 0.89 0.16 -0.22 0.00 0.00 0.00 0.00 17.79 18.62 2dhx h ALA 65 CO 0.07 -2.39 -0.53 -1.14 0.00 0.00 0.00 179.25 175.27 2dhx s GLN 66 N -4.89 3.25 0.00 0.00 0.74 -1.08 -4.92 119.66 112.76 2dhx s GLN 66 Ca -0.05 -0.79 0.27 0.00 0.05 0.00 0.00 55.36 54.84 2dhx s GLN 66 Cb 0.27 -3.66 1.58 0.00 1.10 0.00 0.00 33.01 32.30 2dhx s GLN 66 CO 0.89 -0.49 1.94 0.00 -0.55 0.00 0.00 175.29 177.08 2dhx n ALA 67 N 5.02 2.48 -2.44 1.58 0.00 -1.23 -4.67 120.51 121.24 2dhx n ALA 67 Ca -0.13 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 2dhx n ALA 67 Cb 0.49 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.03 2.77 -0.13 0.00 2.15 -1.26 -4.71 116.67 113.45 2dhx s ASP 68 Ca 0.39 -0.43 -0.07 0.00 0.43 0.00 0.00 52.55 52.87 2dhx s ASP 68 Cb 0.18 -0.39 0.05 0.00 -0.30 0.00 0.00 42.92 42.46 2dhx s ASP 68 CO 0.31 0.28 0.31 -1.00 -0.17 0.00 0.00 175.17 174.90 2dhx s HIS 69 N -0.47 -0.45 -0.11 -5.34 3.76 -1.21 -5.02 115.29 106.44 2dhx s HIS 69 Ca 0.07 1.00 0.03 0.00 -0.15 0.00 0.00 55.06 56.01 2dhx s HIS 69 Cb -0.10 0.12 0.01 0.00 1.11 0.00 0.00 32.58 33.72 2dhx s HIS 69 CO -0.00 -0.29 -0.21 -2.00 -0.85 0.00 0.00 174.74 171.39 2dhx s GLU 70 N 1.47 2.77 -0.30 1.40 2.12 -1.26 -0.16 118.70 124.74 2dhx s GLU 70 Ca -0.08 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 2dhx s GLU 70 Cb -0.10 -2.19 0.13 0.00 0.26 0.00 0.00 34.13 32.23 2dhx s GLU 70 CO -0.10 0.06 0.26 -1.17 -0.54 0.00 0.00 175.26 173.76 2dhx s LEU 71 N 0.65 0.05 -0.52 2.70 2.96 -1.19 -4.94 118.68 118.40 2dhx s LEU 71 Ca -0.12 -1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 52.71 2dhx s LEU 71 Cb -0.16 0.24 -0.01 0.00 0.50 0.00 0.00 46.19 46.76 2dhx s LEU 71 CO 0.03 -0.38 0.48 1.41 -1.32 0.00 0.00 176.35 176.57 2dhx n HIS 72 N 5.09 -1.93 -3.24 5.38 8.25 -1.26 -4.37 115.22 123.15 2dhx n HIS 72 Ca -0.01 0.73 -0.07 0.00 -0.26 0.00 0.00 57.72 58.11 2dhx n HIS 72 Cb 0.44 -3.28 0.01 0.00 1.12 0.00 0.00 29.99 28.28 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 -1.48 0.04 0.00 -1.41 0.00 -1.26 -4.94 105.19 96.13 2dhx n GLY 73 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.02 0.00 -2.91 4.61 0.00 -1.26 -5.03 120.51 116.93 2dhx n ALA 74 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2dhx n ALA 74 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.72 2.89 -0.18 0.00 -2.07 -1.26 -3.16 119.66 114.17 2dhx s GLN 75 Ca 0.00 -1.33 -0.18 0.00 -1.82 0.00 0.00 55.36 52.03 2dhx s GLN 75 Cb 0.00 -4.02 -0.04 0.00 -1.09 0.00 0.00 33.01 27.86 2dhx s GLN 75 CO 0.00 -0.97 0.50 -0.51 -1.32 0.00 0.00 175.29 172.99 2dhx s LEU 76 N 1.60 4.18 -0.58 2.60 2.01 0.78 -4.73 118.68 124.54 2dhx s LEU 76 Ca 0.04 0.70 -0.19 0.00 0.01 0.00 0.00 54.13 54.68 2dhx s LEU 76 Cb -0.23 -2.69 0.09 0.00 0.01 0.00 0.00 46.19 43.37 2dhx s LEU 76 CO 0.06 -0.12 0.71 -0.44 1.01 0.00 0.00 176.35 177.57 2dhx s SER 77 N 1.00 6.19 0.06 2.29 0.01 0.36 -3.35 113.70 120.26 2dhx s SER 77 Ca 0.24 -1.23 -0.23 0.00 1.31 0.00 0.00 55.95 56.04 2dhx s SER 77 Cb -0.15 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 2dhx s SER 77 CO 0.10 -1.09 0.68 -0.76 0.41 0.00 0.00 173.24 172.58 2dhx s LEU 78 N 2.84 4.49 0.10 2.44 2.01 -1.26 -0.19 118.68 129.10 2dhx s LEU 78 Ca 0.14 1.38 -0.15 0.00 0.01 0.00 0.00 54.13 55.50 2dhx s LEU 78 Cb -0.22 -3.10 0.03 0.00 0.01 0.00 0.00 46.19 42.91 2dhx s LEU 78 CO 0.08 0.13 0.37 -0.13 1.01 0.00 0.00 176.35 177.81 2dhx s ARG 79 N -0.52 0.99 -0.11 1.70 0.52 -0.03 -4.95 118.95 116.55 2dhx s ARG 79 Ca 0.34 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 2dhx s ARG 79 Cb -0.20 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 2dhx s ARG 79 CO 0.21 -0.37 1.25 -1.25 0.02 0.00 0.00 175.30 175.17 2dhx s PRO 80 N -3.46 4.28 0.69 3.54 0.04 -1.26 0.19 135.00 139.03 2dhx s PRO 80 Ca 0.01 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 2dhx s PRO 80 Cb 0.02 -3.67 0.02 0.00 0.04 0.00 0.00 34.50 30.90 2dhx s PRO 80 CO -0.09 -0.59 1.14 0.00 0.04 0.00 0.00 177.00 177.50 2dhx s ALA 81 N 2.92 2.33 0.64 8.56 0.00 -1.09 -4.54 121.76 130.58 2dhx s ALA 81 Ca 0.56 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 2dhx s ALA 81 Cb -0.24 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2dhx s ALA 81 CO 0.18 -1.51 1.05 -1.25 0.00 0.00 0.00 175.76 174.24 2dhx s PRO 82 N -4.04 3.16 0.44 0.00 0.04 -1.26 -4.88 135.00 128.47 2dhx s PRO 82 Ca 0.69 1.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 2dhx s PRO 82 Cb -0.24 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 2dhx s PRO 82 CO 0.43 -0.93 1.05 -1.25 0.04 0.00 0.00 177.00 176.33 2dhx s PRO 83 N -4.59 3.98 0.27 0.56 0.04 -1.26 -5.05 135.00 128.95 2dhx s PRO 83 Ca 0.60 1.44 0.03 0.00 0.04 0.00 0.00 61.00 63.11 2dhx s PRO 83 Cb -0.15 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2dhx s PRO 83 CO 0.46 -0.29 0.06 1.03 0.04 0.00 0.00 177.00 178.30 2dhx s ARG 84 N -2.86 1.47 0.24 4.56 0.52 -1.26 -5.17 118.95 116.45 2dhx s ARG 84 Ca 0.62 -1.79 0.11 0.00 -0.52 0.00 0.00 55.73 54.16 2dhx s ARG 84 Cb -0.19 -0.56 -0.05 0.00 0.52 0.00 0.00 34.95 34.67 2dhx s ARG 84 CO 0.24 -0.20 -0.17 0.00 0.02 0.00 0.00 175.30 175.18 2dhx s ALA 85 N -3.51 2.77 0.10 2.13 0.00 -1.26 -5.11 121.76 116.88 2dhx s ALA 85 Ca 0.35 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2dhx s ALA 85 Cb 0.08 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 2dhx s ALA 85 CO 0.13 0.35 1.15 -1.25 0.00 0.00 0.00 175.76 176.14 2dhx s PRO 86 N -3.18 4.50 -0.34 0.00 0.04 -1.26 -4.97 135.00 129.78 2dhx s PRO 86 Ca 0.27 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 2dhx s PRO 86 Cb -0.07 -3.33 0.19 0.00 0.04 0.00 0.00 34.50 31.33 2dhx s PRO 86 CO 0.14 -0.13 0.94 0.00 0.04 0.00 0.00 177.00 178.00 2dhx s ALA 87 N 0.58 -3.92 -0.17 8.56 0.00 -1.26 -5.14 121.76 120.41 2dhx s ALA 87 Ca 0.55 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2dhx s ALA 87 Cb -0.29 -2.94 0.03 0.00 0.00 0.00 0.00 23.12 19.92 2dhx s ALA 87 CO 0.31 -2.42 -0.10 0.50 0.00 0.00 0.00 175.76 174.05 2dhx s ARG 88 N 1.96 1.97 -0.41 0.00 3.52 -1.26 -5.03 118.95 119.70 2dhx s ARG 88 Ca 0.15 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2dhx s ARG 88 Cb 0.01 -2.17 0.20 0.00 -1.56 0.00 0.00 34.95 31.43 2dhx s ARG 88 CO -0.13 -0.35 0.92 -1.17 -0.81 0.00 0.00 175.30 173.76 2dhx s LEU 89 N 1.49 -0.81 -0.15 -0.88 2.96 -1.26 -5.14 118.68 114.89 2dhx s LEU 89 Ca 0.02 -0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 53.08 2dhx s LEU 89 Cb -0.15 1.06 -0.01 0.00 0.50 0.00 0.00 46.19 47.59 2dhx s LEU 89 CO -0.09 -0.04 -0.12 -1.48 -1.32 0.00 0.00 176.35 173.30 2dhx s LEU 90 N 1.16 2.72 0.29 -0.68 0.05 -1.26 -5.10 118.68 115.85 2dhx s LEU 90 Ca 0.24 -0.37 -0.28 0.00 0.05 0.00 0.00 54.13 53.77 2dhx s LEU 90 Cb 0.06 -1.63 -0.09 0.00 -2.05 0.00 0.00 46.19 42.47 2dhx s LEU 90 CO -0.09 0.11 1.00 -0.76 -0.55 0.00 0.00 176.35 176.06 2dhx s LEU 91 N 0.68 4.49 -0.02 1.48 1.43 -1.26 -5.05 118.68 120.43 2dhx s LEU 91 Ca -0.06 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.06 2dhx s LEU 91 Cb -0.15 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.30 2dhx s LEU 91 CO 0.02 -0.06 0.04 -1.58 0.23 0.00 0.00 176.35 175.00 2dhx s GLN 92 N -1.62 0.02 0.00 1.70 0.74 -1.26 -5.15 119.66 114.10 2dhx s GLN 92 Ca 0.46 0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.98 2dhx s GLN 92 Cb -0.25 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 33.79 2dhx s GLN 92 CO 0.32 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 2dhx n GLY 93 N 3.45 1.59 3.54 2.59 0.00 -1.26 -5.19 105.19 109.91 2dhx n GLY 93 Ca -0.17 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2dhx n GLY 93 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dhx s LEU 94 N 0.00 -0.30 0.81 0.99 -0.00 -1.26 -5.17 118.68 113.75 2dhx s LEU 94 Ca 0.00 0.08 -0.12 0.00 -0.00 0.00 0.00 54.13 54.09 2dhx s LEU 94 Cb 0.00 1.81 0.08 0.00 -0.00 0.00 0.00 46.19 48.08 2dhx s LEU 94 CO 0.00 -0.46 1.10 -2.16 -0.00 0.00 0.00 176.35 174.84 2dhx s PRO 95 N -2.51 1.97 1.00 1.48 0.04 -1.26 -5.06 135.00 130.66 2dhx s PRO 95 Ca 0.05 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 2dhx s PRO 95 Cb -0.01 -1.91 0.20 0.00 0.04 0.00 0.00 34.50 32.82 2dhx s PRO 95 CO -0.06 -1.69 1.18 -1.25 0.04 0.00 0.00 177.00 175.22 2dhx s PRO 96 N -5.17 0.36 -0.02 0.56 0.04 -1.26 -5.09 135.00 124.42 2dhx s PRO 96 Ca 0.61 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2dhx s PRO 96 Cb -0.14 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.65 2dhx s PRO 96 CO 0.54 -2.67 0.02 0.20 0.04 0.00 0.00 177.00 175.13 2dhx s GLY 97 N -4.23 0.12 -0.08 0.56 0.00 -1.26 -5.14 107.32 97.30 2dhx s GLY 97 Ca 0.69 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.65 2dhx s GLY 97 CO 0.54 0.66 0.16 -1.59 0.00 0.00 0.00 173.10 172.87 2dhx s THR 98 N 1.04 -0.14 0.40 0.90 2.01 -1.26 -5.16 115.64 113.44 2dhx s THR 98 Ca -0.09 0.25 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2dhx s THR 98 Cb -0.13 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.04 2dhx s THR 98 CO -0.03 0.10 0.02 -0.94 -0.69 0.00 0.00 174.62 173.09 2dhx s SER 99 N 1.63 3.56 -0.30 3.53 1.04 -1.26 -5.14 113.70 116.76 2dhx s SER 99 Ca -0.04 -1.42 -0.07 0.00 0.48 0.00 0.00 55.95 54.90 2dhx s SER 99 Cb -0.12 -0.19 0.19 0.00 0.10 0.00 0.00 66.02 66.01 2dhx s SER 99 CO -0.06 -0.55 0.90 -0.83 0.98 0.00 0.00 173.24 173.68 2dhx s GLY 100 N -3.68 -0.91 0.83 7.32 0.00 -1.26 -5.17 107.32 104.44 2dhx s GLY 100 Ca 0.31 1.96 -0.14 0.00 0.00 0.00 0.00 44.72 46.85 2dhx s GLY 100 CO 0.15 3.89 0.91 -1.55 0.00 0.00 0.00 173.10 176.51 2dhx n PRO 101 N 5.28 -1.79 -4.33 2.90 -0.04 -1.26 -5.10 135.00 130.66 2dhx n PRO 101 Ca 0.04 -1.42 -0.18 0.00 -0.04 0.00 0.00 63.50 61.90 2dhx n PRO 101 Cb 0.56 -1.12 -0.10 0.00 -0.04 0.00 0.00 33.50 32.79 2dhx n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dhx s SER 102 N -4.18 1.38 0.26 3.54 0.01 -1.26 -5.18 113.70 108.28 2dhx s SER 102 Ca 0.55 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 56.37 2dhx s SER 102 Cb -0.03 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 2dhx s SER 102 CO 0.40 -0.79 0.13 -0.44 0.41 0.00 0.00 173.24 172.96 2dhx s SER 103 N -3.35 1.10 0.00 2.44 0.01 -1.26 -5.38 113.70 107.27 2dhx s SER 103 Ca 0.37 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2dhx s SER 103 Cb 0.07 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2dhx s SER 103 CO 0.15 -0.82 0.42 0.61 0.41 0.00 0.00 173.24 174.00