#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhx h SER 2 N 0.00 -0.76 -1.58 1.61 0.87 -2.06 -3.43 113.55 108.21 2dhx h SER 2 Ca 0.00 -0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.92 2dhx h SER 2 Cb 0.00 0.20 0.14 0.00 -0.44 0.00 0.00 62.40 62.30 2dhx h SER 2 CO 0.00 -0.40 -0.79 -1.54 -0.53 0.00 0.00 176.83 173.57 2dhx n SER 3 N -5.39 -2.27 0.00 6.23 3.41 -1.26 -4.20 113.62 110.15 2dhx n SER 3 Ca -0.12 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 2dhx n SER 3 Cb 0.37 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2dhx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dhx n GLY 4 N 2.20 4.03 3.59 5.00 0.00 -1.26 -4.79 105.19 113.96 2dhx n GLY 4 Ca 0.13 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 2dhx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhx s SER 5 N -4.00 -0.37 -0.10 1.61 0.15 -1.26 -5.15 113.70 104.59 2dhx s SER 5 Ca 0.00 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dhx s SER 5 Cb 0.00 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 2dhx s SER 5 CO 0.00 -0.89 -0.08 -0.44 1.20 0.00 0.00 173.24 173.03 2dhx s SER 6 N -2.72 4.48 0.00 5.45 0.01 -1.26 -4.96 113.70 114.69 2dhx s SER 6 Ca 0.06 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2dhx s SER 6 Cb -0.02 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2dhx s SER 6 CO -0.05 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2dhx n GLY 7 N 2.80 -0.07 3.09 3.44 0.00 -1.26 -5.12 105.19 108.08 2dhx n GLY 7 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.06 0.54 -0.12 -0.02 0.00 -1.26 -4.75 107.32 101.64 2dhx s GLY 8 Ca 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.65 2dhx s GLY 8 CO 0.00 -1.18 -0.18 0.14 0.00 0.00 0.00 173.10 171.87 2dhx s VAL 9 N -3.04 1.75 0.07 1.40 1.01 -1.26 -4.94 120.40 115.38 2dhx s VAL 9 Ca 0.02 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2dhx s VAL 9 Cb 0.01 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2dhx s VAL 9 CO -0.05 0.49 -0.15 0.00 0.00 0.00 0.00 175.10 175.39 2dhx s ALA 10 N 0.90 1.24 -0.07 5.51 0.00 -1.26 -0.74 121.76 127.34 2dhx s ALA 10 Ca -0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 2dhx s ALA 10 Cb -0.15 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2dhx s ALA 10 CO -0.01 0.20 -0.04 0.08 0.00 0.00 0.00 175.76 175.99 2dhx s VAL 11 N -1.14 0.61 -0.31 0.00 1.01 0.25 -3.52 120.40 117.29 2dhx s VAL 11 Ca -0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 2dhx s VAL 11 Cb -0.09 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 2dhx s VAL 11 CO 0.02 0.28 1.43 -0.70 0.00 0.00 0.00 175.10 176.13 2dhx s GLU 12 N 1.50 3.77 -0.15 2.72 -6.30 0.32 -1.30 118.70 119.26 2dhx s GLU 12 Ca -0.01 1.27 -0.15 0.00 -2.50 0.00 0.00 54.97 53.58 2dhx s GLU 12 Cb -0.13 -3.97 -0.05 0.00 0.00 0.00 0.00 34.13 29.98 2dhx s GLU 12 CO -0.04 -1.31 0.33 0.08 0.02 0.00 0.00 175.26 174.34 2dhx s VAL 13 N 4.96 5.28 0.03 3.70 1.01 -0.39 -0.29 120.40 134.71 2dhx s VAL 13 Ca 0.62 0.62 0.04 0.00 0.00 0.00 0.00 61.98 63.27 2dhx s VAL 13 Cb -0.18 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2dhx s VAL 13 CO 0.27 0.37 -0.13 -0.60 0.00 0.00 0.00 175.10 175.02 2dhx s ARG 14 N 0.52 0.85 -0.21 2.72 3.52 0.21 -1.88 118.95 124.69 2dhx s ARG 14 Ca 0.18 -0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 2dhx s ARG 14 Cb -0.13 -0.83 -0.01 0.00 -1.56 0.00 0.00 34.95 32.42 2dhx s ARG 14 CO 0.05 0.20 0.19 0.41 -0.81 0.00 0.00 175.30 175.35 2dhx n GLY 15 N 1.95 -0.25 2.84 8.12 0.00 -1.26 0.20 105.19 116.78 2dhx n GLY 15 Ca -0.18 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.84 1.02 0.44 0.99 2.96 -1.26 -3.89 118.68 116.10 2dhx s LEU 16 Ca 0.04 -0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 2dhx s LEU 16 Cb -0.00 -0.44 -0.09 0.00 0.50 0.00 0.00 46.19 46.16 2dhx s LEU 16 CO 0.19 -0.11 1.05 -2.16 -1.32 0.00 0.00 176.35 173.99 2dhx s PRO 17 N 1.36 3.99 0.18 0.98 0.04 -1.26 -4.14 135.00 136.15 2dhx s PRO 17 Ca -0.04 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.48 2dhx s PRO 17 Cb -0.13 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.14 2dhx s PRO 17 CO -0.02 -0.28 1.43 -1.00 0.04 0.00 0.00 177.00 177.16 2dhx h PRO 18 N 2.06 0.20 -0.94 0.56 0.13 -1.86 -3.18 132.00 128.97 2dhx h PRO 18 Ca -0.49 -0.19 0.25 0.00 -0.87 0.00 0.00 66.00 64.70 2dhx h PRO 18 Cb 1.22 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2dhx h PRO 18 CO 0.61 0.90 0.46 0.00 -0.23 0.00 0.00 178.00 179.73 2dhx h ALA 19 N 1.04 1.61 -2.28 -0.56 0.00 -1.99 -3.37 119.26 113.72 2dhx h ALA 19 Ca -0.03 0.17 -0.56 0.00 0.00 0.00 0.00 54.91 54.49 2dhx h ALA 19 Cb 1.40 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2dhx h ALA 19 CO 0.12 -0.39 0.69 0.08 0.00 0.00 0.00 179.25 179.75 2dhx s VAL 20 N -5.82 4.39 0.82 0.00 1.01 -1.20 -5.02 120.40 114.58 2dhx s VAL 20 Ca -0.11 1.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 2dhx s VAL 20 Cb 0.27 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.64 2dhx s VAL 20 CO 0.78 -0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.81 2dhx s PRO 21 N 2.30 1.92 0.18 2.72 0.04 -1.26 -4.92 135.00 135.98 2dhx s PRO 21 Ca 0.54 0.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.06 2dhx s PRO 21 Cb -0.23 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.48 2dhx s PRO 21 CO 0.20 -1.72 1.65 0.38 0.04 0.00 0.00 177.00 177.55 2dhx h ASP 22 N -1.16 1.05 -0.93 6.66 2.03 -1.95 -2.80 116.42 119.32 2dhx h ASP 22 Ca -0.48 -0.29 0.13 0.00 -0.73 0.00 0.00 57.03 55.67 2dhx h ASP 22 Cb 1.28 -0.28 -0.14 0.00 -0.83 0.00 0.00 39.33 39.36 2dhx h ASP 22 CO 0.60 1.08 -0.40 1.21 -1.03 0.00 0.00 179.24 180.70 2dhx n GLU 23 N -4.20 -0.26 0.05 4.15 2.13 -1.26 0.09 120.64 121.35 2dhx n GLU 23 Ca 0.03 1.43 -0.13 0.00 0.66 0.00 0.00 57.16 59.15 2dhx n GLU 23 Cb 0.33 -2.11 -0.08 0.00 0.27 0.00 0.00 31.44 29.84 2dhx n GLU 23 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2dhx h LEU 24 N 0.00 -0.09 -0.97 4.31 3.38 -1.93 0.43 115.31 120.44 2dhx h LEU 24 Ca 0.29 -0.22 0.32 0.00 0.09 0.00 0.00 57.88 58.36 2dhx h LEU 24 Cb 0.52 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.12 2dhx h LEU 24 CO -0.91 0.17 0.23 -0.11 0.09 0.00 0.00 178.44 177.91 2dhx n LEU 25 N -5.02 0.07 -0.07 1.67 7.94 0.11 0.79 117.00 122.50 2dhx n LEU 25 Ca -0.08 1.63 -0.14 0.00 -1.11 0.00 0.00 56.01 56.30 2dhx n LEU 25 Cb 0.17 -0.67 -0.12 0.00 0.53 0.00 0.00 43.42 43.32 2dhx n LEU 25 CO 0.33 -1.72 0.28 0.71 -1.11 0.00 0.00 177.39 175.88 2dhx h THR 26 N 0.00 1.65 -1.30 1.96 1.35 -0.37 -2.87 112.91 113.34 2dhx h THR 26 Ca 0.68 -2.29 0.39 0.00 -0.55 0.00 0.00 66.41 64.64 2dhx h THR 26 Cb 1.61 3.16 -0.10 0.00 -1.73 0.00 0.00 68.15 71.09 2dhx h THR 26 CO -0.84 0.56 0.87 0.17 -0.25 0.00 0.00 175.52 176.03 2dhx h LEU 27 N -1.00 0.22 0.12 3.87 8.10 0.33 1.65 115.31 128.60 2dhx h LEU 27 Ca -0.04 0.08 -0.01 0.00 0.11 0.00 0.00 57.88 58.03 2dhx h LEU 27 Cb 1.00 0.05 0.00 0.00 -0.44 0.00 0.00 40.66 41.28 2dhx h LEU 27 CO -0.02 -0.05 -0.06 0.22 -4.11 0.00 0.00 178.44 174.42 2dhx h TYR 28 N 0.14 -0.14 -0.87 0.17 3.20 0.32 -2.51 116.97 117.27 2dhx h TYR 28 Ca 0.72 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.75 2dhx h TYR 28 Cb 2.37 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 40.62 2dhx h TYR 28 CO -0.00 -0.09 0.57 0.74 -1.64 0.00 0.00 178.16 177.73 2dhx h PHE 29 N -0.52 0.70 -0.10 -3.82 0.04 -1.01 -0.95 116.94 111.28 2dhx h PHE 29 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2dhx h PHE 29 Cb 0.12 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 2dhx h PHE 29 CO 0.03 0.24 0.04 0.93 -0.60 0.00 0.00 178.31 178.96 2dhx h GLU 30 N 0.58 0.15 -6.92 1.51 5.08 0.23 -3.33 114.58 111.87 2dhx h GLU 30 Ca 0.44 -0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 58.26 2dhx h GLU 30 Cb 0.84 -0.03 0.06 0.00 0.50 0.00 0.00 28.75 30.13 2dhx h GLU 30 CO -0.19 0.24 0.55 1.21 -1.00 0.00 0.00 179.01 179.81 2dhx s ASN 31 N -5.45 6.57 -0.07 1.42 2.47 -0.36 -4.31 114.94 115.21 2dhx s ASN 31 Ca -0.14 2.46 -0.02 0.00 0.42 0.00 0.00 52.86 55.58 2dhx s ASN 31 Cb 0.06 -2.63 -0.01 0.00 -1.45 0.00 0.00 41.25 37.22 2dhx s ASN 31 CO 0.69 -0.65 0.11 0.03 -3.72 0.00 0.00 177.10 173.55 2dhx h ARG 32 N 2.85 -0.07 -0.98 0.43 3.08 -1.81 -3.17 114.38 114.70 2dhx h ARG 32 Ca -0.49 0.01 0.25 0.00 0.07 0.00 0.00 59.98 59.82 2dhx h ARG 32 Cb 1.23 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 31.12 2dhx h ARG 32 CO 0.63 -0.05 -0.05 0.54 -1.07 0.00 0.00 179.97 179.97 2dhx n ARG 33 N -4.11 -0.08 0.08 0.04 1.74 -1.26 0.84 116.66 113.92 2dhx n ARG 33 Ca -0.01 1.49 -0.09 0.00 -0.77 0.00 0.00 57.85 58.47 2dhx n ARG 33 Cb 0.03 -2.33 -0.06 0.00 -1.02 0.00 0.00 32.46 29.08 2dhx n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhx h ARG 34 N 0.00 -0.44 0.00 5.56 2.47 -1.83 -3.42 114.38 116.72 2dhx h ARG 34 Ca 0.56 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.31 2dhx h ARG 34 Cb 1.09 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2dhx h ARG 34 CO -0.95 -0.29 -0.01 -1.13 0.56 0.00 0.00 179.97 178.15 2dhx n SER 35 N -4.13 0.92 0.00 7.04 3.41 0.32 -4.92 113.62 116.26 2dhx n SER 35 Ca -0.05 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2dhx n SER 35 Cb 0.24 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 3.47 0.51 0.00 5.00 0.00 0.25 -4.90 105.19 109.52 2dhx n GLY 36 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 4.98 0.00 -0.02 0.00 -1.25 -3.15 105.19 105.74 2dhx n GLY 37 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 6.81 3.55 -0.02 0.00 -1.26 -4.59 105.19 109.69 2dhx n GLY 38 Ca 0.00 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 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 0.86 2.97 -0.28 1.61 0.04 -1.26 -3.93 135.00 135.00 2dhx s PRO 39 Ca 0.00 -0.10 -0.41 0.00 0.04 0.00 0.00 61.00 60.54 2dhx s PRO 39 Cb 0.00 -4.56 -0.16 0.00 0.04 0.00 0.00 34.50 29.82 2dhx s PRO 39 CO 0.00 -2.54 1.71 0.28 0.04 0.00 0.00 177.00 176.49 2dhx n VAL 40 N 6.96 0.26 0.33 -0.36 0.31 -1.26 -3.54 118.33 121.03 2dhx n VAL 40 Ca 0.19 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.29 2dhx n VAL 40 Cb 0.50 -1.12 -0.10 0.00 -0.91 0.00 0.00 33.84 32.21 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 6.83 -1.29 -8.49 7.52 7.12 -1.52 -3.45 115.31 122.04 2dhx h LEU 41 Ca -0.46 0.10 -0.27 0.00 0.13 0.00 0.00 57.88 57.38 2dhx h LEU 41 Cb 1.33 0.41 -0.07 0.00 -0.53 0.00 0.00 40.66 41.80 2dhx h LEU 41 CO 0.95 -0.68 -0.13 -0.55 -0.13 0.00 0.00 178.44 177.90 2dhx s SER 42 N -4.34 0.92 -0.15 1.25 0.15 -1.11 -4.99 113.70 105.44 2dhx s SER 42 Ca -0.18 -1.50 -0.05 0.00 0.70 0.00 0.00 55.95 54.92 2dhx s SER 42 Cb 0.04 0.70 0.07 0.00 -1.71 0.00 0.00 66.02 65.12 2dhx s SER 42 CO 0.61 -1.37 0.31 0.86 1.20 0.00 0.00 173.24 174.85 2dhx s TRP 43 N -2.86 -0.53 -0.49 3.44 -0.00 -1.26 -2.15 118.94 115.09 2dhx s TRP 43 Ca 0.29 1.12 -0.06 0.00 -0.00 0.00 0.00 56.10 57.46 2dhx s TRP 43 Cb -0.01 0.06 0.13 0.00 -0.00 0.00 0.00 33.47 33.65 2dhx s TRP 43 CO 0.20 -0.39 0.33 -1.14 -0.00 0.00 0.00 176.95 175.96 2dhx s GLN 44 N 2.44 2.37 0.15 5.86 0.74 0.23 -5.01 119.66 126.44 2dhx s GLN 44 Ca 0.00 -1.96 -0.30 0.00 0.05 0.00 0.00 55.36 53.15 2dhx s GLN 44 Cb -0.12 -3.79 -0.08 0.00 1.10 0.00 0.00 33.01 30.12 2dhx s GLN 44 CO -0.10 -1.15 1.24 0.50 -0.55 0.00 0.00 175.29 175.23 2dhx s ARG 45 N 0.96 4.44 -0.55 1.67 3.52 -1.26 -0.73 118.95 127.00 2dhx s ARG 45 Ca 0.09 1.90 0.04 0.00 -0.13 0.00 0.00 55.73 57.64 2dhx s ARG 45 Cb -0.23 -3.26 0.16 0.00 -1.56 0.00 0.00 34.95 30.06 2dhx s ARG 45 CO -0.03 -0.20 0.38 -0.51 -0.81 0.00 0.00 175.30 174.13 2dhx s LEU 46 N 0.27 3.30 0.00 -0.88 1.43 -0.49 -4.89 118.68 117.42 2dhx s LEU 46 Ca 0.56 -3.29 0.00 0.00 -1.03 0.00 0.00 54.13 50.37 2dhx s LEU 46 Cb -0.33 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2dhx s LEU 46 CO 0.34 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.37 2dhx n GLY 47 N 2.66 0.90 0.00 -3.19 0.00 -1.26 -3.27 105.19 101.02 2dhx n GLY 47 Ca 0.19 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 2.23 1.00 0.00 0.00 0.00 -1.20 -4.32 105.19 102.90 2dhx n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.91 3.68 -0.02 0.00 -0.79 -1.40 105.19 115.58 2dhx n GLY 50 Ca 0.00 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.25 5.03 0.13 1.61 1.01 0.09 -1.26 120.40 124.77 2dhx s VAL 51 Ca 0.00 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.31 2dhx s VAL 51 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2dhx s VAL 51 CO 0.00 0.16 0.01 -0.22 0.00 0.00 0.00 175.10 175.05 2dhx s LEU 52 N 1.54 3.42 -0.07 3.92 0.20 -0.42 -0.60 118.68 126.68 2dhx s LEU 52 Ca 0.31 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.92 2dhx s LEU 52 Cb -0.16 -2.11 -0.00 0.00 -0.43 0.00 0.00 46.19 43.48 2dhx s LEU 52 CO 0.12 0.13 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.20 2dhx s THR 53 N -1.52 1.86 -0.17 3.68 2.01 -0.91 0.84 115.64 121.44 2dhx s THR 53 Ca 0.27 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 2dhx s THR 53 Cb -0.11 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2dhx s THR 53 CO 0.19 0.52 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.26 2dhx s PHE 54 N 0.09 3.05 0.12 4.92 0.40 0.09 -1.41 117.98 125.23 2dhx s PHE 54 Ca -0.09 -0.28 -0.23 0.00 -0.60 0.00 0.00 56.93 55.73 2dhx s PHE 54 Cb -0.15 -1.99 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 2dhx s PHE 54 CO 0.05 -0.05 1.31 -2.13 0.70 0.00 0.00 175.22 175.10 2dhx n ARG 55 N 3.66 -0.32 -4.02 0.44 0.63 -1.23 -4.16 116.66 111.66 2dhx n ARG 55 Ca -0.17 1.28 -0.22 0.00 -0.92 0.00 0.00 57.85 57.83 2dhx n ARG 55 Cb 0.52 -1.89 -0.04 0.00 0.45 0.00 0.00 32.46 31.50 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 -4.97 2.93 -0.02 -0.14 0.41 -1.26 -4.76 118.70 110.89 2dhx s GLU 56 Ca -0.09 -1.08 -0.22 0.00 -0.41 0.00 0.00 54.97 53.17 2dhx s GLU 56 Cb 0.08 -2.58 -0.22 0.00 -1.78 0.00 0.00 34.13 29.63 2dhx s GLU 56 CO 0.45 0.33 1.09 -1.00 -0.49 0.00 0.00 175.26 175.64 2dhx h PRO 57 N 1.39 0.28 -0.67 0.39 0.13 -1.96 -2.78 132.00 128.78 2dhx h PRO 57 Ca -0.48 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2dhx h PRO 57 Cb 1.24 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2dhx h PRO 57 CO 0.60 0.96 0.36 0.00 -0.23 0.00 0.00 178.00 179.70 2dhx h ALA 58 N 0.32 0.86 -0.77 -0.56 0.00 -1.96 0.33 119.26 117.49 2dhx h ALA 58 Ca -0.04 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2dhx h ALA 58 Cb 1.07 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2dhx h ALA 58 CO 0.07 0.38 0.50 -0.44 0.00 0.00 0.00 179.25 179.77 2dhx h ASP 59 N 0.92 0.72 -0.04 0.00 3.32 -1.94 0.90 116.42 120.30 2dhx h ASP 59 Ca 0.24 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 2dhx h ASP 59 Cb 0.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2dhx h ASP 59 CO -0.04 0.46 -0.30 0.00 -1.72 0.00 0.00 179.24 177.65 2dhx h ALA 60 N 1.58 0.09 -0.16 3.45 0.00 -0.99 -3.20 119.26 120.03 2dhx h ALA 60 Ca 0.33 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2dhx h ALA 60 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2dhx h ALA 60 CO -0.11 0.14 0.08 0.93 0.00 0.00 0.00 179.25 180.29 2dhx h GLU 61 N -0.30 0.17 -0.15 0.00 4.39 0.47 -0.16 114.58 119.01 2dhx h GLU 61 Ca -0.03 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.71 2dhx h GLU 61 Cb 0.98 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2dhx h GLU 61 CO 0.06 0.12 0.49 0.00 -1.16 0.00 0.00 179.01 178.51 2dhx h ARG 62 N 0.18 0.00 0.00 2.33 2.47 0.72 0.52 114.38 120.60 2dhx h ARG 62 Ca 0.06 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.62 2dhx h ARG 62 Cb 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2dhx h ARG 62 CO -0.04 0.00 -0.97 0.28 0.56 0.00 0.00 179.97 179.80 2dhx h VAL 63 N 0.00 0.83 -0.93 2.04 2.07 -1.05 -3.36 116.25 115.85 2dhx h VAL 63 Ca 0.07 -1.96 0.13 0.00 0.82 0.00 0.00 66.70 65.76 2dhx h VAL 63 Cb 1.04 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 2dhx h VAL 63 CO -0.00 0.28 0.59 -0.07 0.02 0.00 0.00 177.57 178.39 2dhx h LEU 64 N -1.00 0.75 -1.33 2.57 3.38 0.61 0.24 115.31 120.54 2dhx h LEU 64 Ca -0.25 0.04 0.46 0.00 0.09 0.00 0.00 57.88 58.23 2dhx h LEU 64 Cb 1.10 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 2dhx h LEU 64 CO -0.15 0.39 0.85 0.00 0.09 0.00 0.00 178.44 179.62 2dhx n ALA 65 N -2.40 1.32 -2.63 1.53 0.00 0.16 -3.83 120.51 114.65 2dhx n ALA 65 Ca 0.18 0.85 -0.42 0.00 0.00 0.00 0.00 53.44 54.05 2dhx n ALA 65 Cb 0.42 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 -5.21 4.10 0.00 0.00 0.74 0.07 -4.89 119.66 114.47 2dhx s GLN 66 Ca -0.07 0.81 0.14 0.00 0.05 0.00 0.00 55.36 56.29 2dhx s GLN 66 Cb 0.30 -3.68 0.71 0.00 1.10 0.00 0.00 33.01 31.45 2dhx s GLN 66 CO 0.80 -0.59 1.48 0.00 -0.55 0.00 0.00 175.29 176.42 2dhx n ALA 67 N 6.11 2.55 -2.67 1.58 0.00 -1.25 -4.73 120.51 122.10 2dhx n ALA 67 Ca 0.05 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 2dhx n ALA 67 Cb 0.48 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.39 1.65 -0.10 0.00 -1.08 -1.26 -4.92 116.67 109.57 2dhx s ASP 68 Ca 0.22 -0.26 -0.06 0.00 -0.52 0.00 0.00 52.55 51.94 2dhx s ASP 68 Cb 0.11 -0.25 0.04 0.00 -1.46 0.00 0.00 42.92 41.36 2dhx s ASP 68 CO 0.17 0.16 0.24 -1.00 0.52 0.00 0.00 175.17 175.26 2dhx s HIS 69 N -0.22 -0.32 -0.05 -5.34 3.76 -1.25 -5.04 115.29 106.84 2dhx s HIS 69 Ca 0.03 0.76 0.06 0.00 -0.15 0.00 0.00 55.06 55.76 2dhx s HIS 69 Cb -0.07 0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 2dhx s HIS 69 CO -0.00 -0.22 -0.24 -2.00 -0.85 0.00 0.00 174.74 171.43 2dhx s GLU 70 N 1.09 2.42 -0.33 1.40 2.12 -1.26 -0.90 118.70 123.25 2dhx s GLU 70 Ca -0.08 -0.87 0.04 0.00 0.36 0.00 0.00 54.97 54.42 2dhx s GLU 70 Cb -0.09 -2.08 0.17 0.00 0.26 0.00 0.00 34.13 32.39 2dhx s GLU 70 CO -0.07 0.38 0.47 -1.17 -0.54 0.00 0.00 175.26 174.33 2dhx s LEU 71 N -0.17 -0.93 -0.91 2.70 2.96 -1.05 -4.95 118.68 116.32 2dhx s LEU 71 Ca -0.03 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 2dhx s LEU 71 Cb -0.13 1.32 -0.05 0.00 0.50 0.00 0.00 46.19 47.83 2dhx s LEU 71 CO 0.03 -0.30 0.81 1.41 -1.32 0.00 0.00 176.35 176.98 2dhx n HIS 72 N 5.00 -2.44 -3.35 5.38 8.25 -1.26 -3.98 115.22 122.82 2dhx n HIS 72 Ca 0.05 0.88 -0.27 0.00 -0.26 0.00 0.00 57.72 58.12 2dhx n HIS 72 Cb 0.51 -4.01 0.02 0.00 1.12 0.00 0.00 29.99 27.63 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 -1.37 -0.50 3.65 -1.41 0.00 -1.26 -5.01 105.19 99.29 2dhx n GLY 73 Ca -0.05 1.07 -0.00 0.00 0.00 0.00 0.00 46.02 47.04 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 -2.06 -2.44 -0.71 4.61 0.00 -1.26 -5.09 121.76 114.81 2dhx s ALA 74 Ca 0.27 1.81 -0.21 0.00 0.00 0.00 0.00 51.96 53.84 2dhx s ALA 74 Cb -0.04 -1.89 0.09 0.00 0.00 0.00 0.00 23.12 21.28 2dhx s ALA 74 CO 0.85 -0.20 0.94 -0.65 0.00 0.00 0.00 175.76 176.70 2dhx s GLN 75 N 0.49 3.21 -0.06 0.00 -0.21 -1.26 -2.54 119.66 119.30 2dhx s GLN 75 Ca 0.00 -1.18 -0.30 0.00 0.02 0.00 0.00 55.36 53.91 2dhx s GLN 75 Cb -0.04 -4.40 -0.03 0.00 1.00 0.00 0.00 33.01 29.55 2dhx s GLN 75 CO -0.13 -1.74 1.10 -0.51 -2.12 0.00 0.00 175.29 171.88 2dhx s LEU 76 N 3.40 4.29 -0.67 2.90 2.01 -0.08 -4.83 118.68 125.69 2dhx s LEU 76 Ca 0.22 1.70 -0.19 0.00 0.01 0.00 0.00 54.13 55.87 2dhx s LEU 76 Cb -0.16 -3.56 0.11 0.00 0.01 0.00 0.00 46.19 42.60 2dhx s LEU 76 CO 0.04 -0.48 0.81 -0.44 1.01 0.00 0.00 176.35 177.30 2dhx s SER 77 N 1.23 6.30 0.15 2.29 0.01 0.52 -3.79 113.70 120.40 2dhx s SER 77 Ca 0.53 -1.58 -0.20 0.00 1.31 0.00 0.00 55.95 56.01 2dhx s SER 77 Cb -0.22 -2.32 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 2dhx s SER 77 CO 0.22 -1.11 0.66 -0.76 0.41 0.00 0.00 173.24 172.66 2dhx s LEU 78 N 2.65 4.46 0.13 2.44 2.01 -1.26 0.68 118.68 129.78 2dhx s LEU 78 Ca 0.17 1.37 -0.15 0.00 0.01 0.00 0.00 54.13 55.53 2dhx s LEU 78 Cb -0.19 -3.24 0.03 0.00 0.01 0.00 0.00 46.19 42.79 2dhx s LEU 78 CO 0.03 0.16 0.38 -0.13 1.01 0.00 0.00 176.35 177.80 2dhx s ARG 79 N -1.50 1.07 -0.16 1.70 0.52 0.60 -4.95 118.95 116.23 2dhx s ARG 79 Ca 0.36 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 2dhx s ARG 79 Cb -0.19 0.45 -0.01 0.00 0.52 0.00 0.00 34.95 35.72 2dhx s ARG 79 CO 0.21 -0.41 1.28 -1.25 0.02 0.00 0.00 175.30 175.15 2dhx s PRO 80 N -3.83 4.22 0.76 3.54 0.04 -1.26 0.12 135.00 138.59 2dhx s PRO 80 Ca 0.04 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2dhx s PRO 80 Cb 0.02 -3.77 0.05 0.00 0.04 0.00 0.00 34.50 30.84 2dhx s PRO 80 CO -0.11 -0.72 1.12 0.00 0.04 0.00 0.00 177.00 177.33 2dhx s ALA 81 N 3.53 2.18 0.42 8.56 0.00 -1.23 -4.57 121.76 130.65 2dhx s ALA 81 Ca 0.55 0.47 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 2dhx s ALA 81 Cb -0.22 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 2dhx s ALA 81 CO 0.15 -1.79 1.05 -1.25 0.00 0.00 0.00 175.76 173.92 2dhx s PRO 82 N -4.51 4.07 0.75 0.00 0.04 -1.26 -4.87 135.00 129.22 2dhx s PRO 82 Ca 0.65 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2dhx s PRO 82 Cb -0.20 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2dhx s PRO 82 CO 0.51 -0.22 1.08 -1.25 0.04 0.00 0.00 177.00 177.16 2dhx s PRO 83 N -2.67 2.46 0.16 0.56 0.04 -1.26 -4.92 135.00 129.36 2dhx s PRO 83 Ca 0.60 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2dhx s PRO 83 Cb -0.21 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2dhx s PRO 83 CO 0.26 -1.39 0.00 -2.13 0.04 0.00 0.00 177.00 173.78 2dhx n ARG 84 N -3.30 0.00 -3.60 4.56 0.63 -1.26 -5.16 116.66 108.53 2dhx n ARG 84 Ca 0.07 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.93 2dhx n ARG 84 Cb 0.55 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.42 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 -1.85 -2.00 1.06 5.13 0.00 -1.26 -5.18 121.76 117.67 2dhx s ALA 85 Ca 0.00 1.66 -0.17 0.00 0.00 0.00 0.00 51.96 53.45 2dhx s ALA 85 Cb 0.00 -0.88 0.23 0.00 0.00 0.00 0.00 23.12 22.47 2dhx s ALA 85 CO 0.00 -0.32 1.21 -1.25 0.00 0.00 0.00 175.76 175.40 2dhx s PRO 86 N -1.24 -0.10 -0.10 0.00 0.04 -1.26 -4.94 135.00 127.39 2dhx s PRO 86 Ca 0.02 -0.18 -0.05 0.00 0.04 0.00 0.00 61.00 60.84 2dhx s PRO 86 Cb -0.01 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.85 2dhx s PRO 86 CO -0.02 -2.95 0.23 0.00 0.04 0.00 0.00 177.00 174.30 2dhx s ALA 87 N -3.43 -0.47 0.28 8.56 0.00 -1.26 -4.96 121.76 120.47 2dhx s ALA 87 Ca 0.71 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2dhx s ALA 87 Cb -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2dhx s ALA 87 CO 0.54 -0.37 0.00 0.54 0.00 0.00 0.00 175.76 176.48 2dhx n ARG 88 N 4.69 0.00 -2.71 0.00 5.12 -1.26 -4.72 116.66 117.78 2dhx n ARG 88 Ca -0.17 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.73 2dhx n ARG 88 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2dhx n ARG 88 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2dhx n LEU 89 N -3.09 -7.86 0.14 0.55 4.77 -1.26 -5.01 117.00 105.24 2dhx n LEU 89 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 2dhx n LEU 89 Cb 0.00 -3.30 0.00 0.00 -2.33 0.00 0.00 43.42 37.79 2dhx n LEU 89 CO 0.00 -2.95 0.00 -0.11 -1.33 0.00 0.00 177.39 173.00 2dhx n LEU 90 N 0.46 -1.32 -0.29 2.23 0.00 -1.26 -4.95 117.00 111.88 2dhx n LEU 90 Ca 0.03 0.50 -0.08 0.00 0.00 0.00 0.00 56.01 56.45 2dhx n LEU 90 Cb 0.10 1.38 -0.07 0.00 0.00 0.00 0.00 43.42 44.83 2dhx n LEU 90 CO 0.44 -0.40 0.49 -0.07 0.00 0.00 0.00 177.39 177.85 2dhx h LEU 91 N 0.00 -1.53 0.00 -1.96 3.38 -2.06 -3.46 115.31 109.68 2dhx h LEU 91 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dhx h LEU 91 Cb 0.00 0.67 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2dhx h LEU 91 CO 0.00 -0.17 0.00 1.67 0.09 0.00 0.00 178.44 180.03 2dhx n GLN 92 N -4.59 0.00 0.00 1.13 7.27 -1.26 -5.09 117.38 114.84 2dhx n GLN 92 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2dhx n GLN 92 Cb 0.19 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.84 2dhx n GLN 92 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2dhx n GLY 93 N -1.31 0.67 3.67 1.69 0.00 -1.26 -5.04 105.19 103.61 2dhx n GLY 93 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2dhx n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dhx s LEU 94 N 0.00 3.30 0.84 0.99 2.01 -1.26 -5.13 118.68 119.43 2dhx s LEU 94 Ca 0.00 -0.52 -0.12 0.00 0.01 0.00 0.00 54.13 53.50 2dhx s LEU 94 Cb 0.00 -1.87 0.10 0.00 0.01 0.00 0.00 46.19 44.43 2dhx s LEU 94 CO 0.00 0.02 1.11 -2.16 1.01 0.00 0.00 176.35 176.33 2dhx s PRO 95 N -3.48 1.73 0.79 1.29 0.04 -1.26 -5.05 135.00 129.06 2dhx s PRO 95 Ca 0.30 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 2dhx s PRO 95 Cb -0.07 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.64 2dhx s PRO 95 CO 0.20 -1.84 1.09 -1.25 0.04 0.00 0.00 177.00 175.25 2dhx s PRO 96 N -5.20 2.17 0.15 0.56 0.04 -1.26 -5.02 135.00 126.44 2dhx s PRO 96 Ca 0.62 0.67 -0.28 0.00 0.04 0.00 0.00 61.00 62.04 2dhx s PRO 96 Cb -0.15 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2dhx s PRO 96 CO 0.54 -1.57 0.89 0.20 0.04 0.00 0.00 177.00 177.10 2dhx s GLY 97 N -3.90 2.99 -0.10 0.56 0.00 -1.26 -4.95 107.32 100.66 2dhx s GLY 97 Ca 0.60 0.50 0.13 0.00 0.00 0.00 0.00 44.72 45.95 2dhx s GLY 97 CO 0.54 1.21 0.13 -0.37 0.00 0.00 0.00 173.10 174.62 2dhx n THR 98 N 2.21 0.64 -2.80 0.90 5.66 -1.26 -5.08 114.28 114.55 2dhx n THR 98 Ca -0.01 -0.50 -0.02 0.00 -3.05 0.00 0.00 64.05 60.47 2dhx n THR 98 Cb 0.49 -0.39 -0.02 0.00 -1.55 0.00 0.00 70.33 68.86 2dhx n THR 98 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dhx n SER 99 N -2.35 -5.18 -2.97 1.09 2.88 -1.26 -5.02 113.62 100.82 2dhx n SER 99 Ca -0.16 1.20 -0.13 0.00 -1.33 0.00 0.00 58.87 58.45 2dhx n SER 99 Cb 0.77 -4.27 -0.02 0.00 -0.75 0.00 0.00 64.21 59.94 2dhx n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhx n GLY 100 N 1.38 0.65 3.76 0.46 0.00 -1.26 -5.15 105.19 105.03 2dhx n GLY 100 Ca -0.15 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 0.37 -0.50 0.10 1.61 0.04 -1.26 -5.02 135.00 130.34 2dhx s PRO 101 Ca 0.32 -0.32 -0.25 0.00 0.04 0.00 0.00 61.00 60.78 2dhx s PRO 101 Cb 0.08 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.85 2dhx s PRO 101 CO -0.14 -3.19 0.77 -1.12 0.04 0.00 0.00 177.00 173.37 2dhx s SER 102 N -4.46 7.30 -0.15 6.66 0.01 -1.26 -5.05 113.70 116.75 2dhx s SER 102 Ca 0.74 1.54 -0.29 0.00 1.31 0.00 0.00 55.95 59.25 2dhx s SER 102 Cb -0.05 -2.48 0.09 0.00 0.21 0.00 0.00 66.02 63.78 2dhx s SER 102 CO 0.55 0.10 0.80 -0.94 0.41 0.00 0.00 173.24 174.16 2dhx s SER 103 N -0.55 -0.59 0.00 2.44 1.04 -1.26 -5.35 113.70 109.43 2dhx s SER 103 Ca 0.37 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2dhx s SER 103 Cb -0.22 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2dhx s SER 103 CO 0.25 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.65