#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 -0.09 -0.14 1.61 0.15 -1.26 -5.14 113.70 108.82 2dhx s SER 2 Ca 0.00 0.53 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 2dhx s SER 2 Cb 0.00 1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 65.59 2dhx s SER 2 CO 0.00 -0.28 0.02 -0.55 1.20 0.00 0.00 173.24 173.63 2dhx s SER 3 N 2.60 5.30 0.26 5.45 0.15 -1.26 -5.01 113.70 121.20 2dhx s SER 3 Ca 0.09 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2dhx s SER 3 Cb -0.14 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2dhx s SER 3 CO -0.16 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2dhx n GLY 4 N 2.99 -1.42 3.19 9.45 0.00 -1.26 -4.94 105.19 113.21 2dhx n GLY 4 Ca -0.18 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 2dhx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhx s SER 5 N -5.30 -0.39 -0.36 1.61 1.04 -1.26 -5.00 113.70 104.03 2dhx s SER 5 Ca 0.00 0.71 -0.39 0.00 0.48 0.00 0.00 55.95 56.76 2dhx s SER 5 Cb 0.00 0.64 -0.14 0.00 0.10 0.00 0.00 66.02 66.62 2dhx s SER 5 CO 0.00 -0.16 2.04 -1.20 0.98 0.00 0.00 173.24 174.90 2dhx n SER 6 N 3.79 1.90 0.00 7.02 7.64 -1.26 -4.06 113.62 128.66 2dhx n SER 6 Ca -0.20 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2dhx n SER 6 Cb 0.55 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2dhx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 7 N 6.01 0.18 0.41 0.23 0.00 -1.26 -5.09 105.19 105.67 2dhx n GLY 7 Ca 0.40 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.15 -2.16 3.27 -0.02 0.00 -1.26 -5.06 105.19 100.12 2dhx n GLY 8 Ca 0.00 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 2.50 0.03 1.61 1.01 -1.26 -4.40 120.40 119.89 2dhx s VAL 9 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2dhx s VAL 9 Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2dhx s VAL 9 CO 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 175.10 175.57 2dhx s ALA 10 N 0.49 0.46 -0.11 5.51 0.00 -1.26 -1.79 121.76 125.07 2dhx s ALA 10 Ca -0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2dhx s ALA 10 Cb -0.17 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2dhx s ALA 10 CO 0.05 -0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.81 2dhx s VAL 11 N -1.07 0.92 -0.23 0.00 1.01 0.28 -3.33 120.40 117.98 2dhx s VAL 11 Ca -0.08 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 2dhx s VAL 11 Cb -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2dhx s VAL 11 CO 0.00 0.35 1.37 -0.70 0.00 0.00 0.00 175.10 176.12 2dhx s GLU 12 N 1.72 4.01 -0.10 2.72 -6.30 0.44 -0.91 118.70 120.28 2dhx s GLU 12 Ca 0.04 1.51 -0.10 0.00 -2.50 0.00 0.00 54.97 53.93 2dhx s GLU 12 Cb -0.13 -3.88 -0.05 0.00 0.00 0.00 0.00 34.13 30.08 2dhx s GLU 12 CO -0.07 -1.01 0.22 0.08 0.02 0.00 0.00 175.26 174.50 2dhx s VAL 13 N 4.23 5.36 0.03 3.70 1.01 0.23 -0.06 120.40 134.90 2dhx s VAL 13 Ca 0.60 0.40 0.04 0.00 0.00 0.00 0.00 61.98 63.01 2dhx s VAL 13 Cb -0.21 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2dhx s VAL 13 CO 0.22 0.56 -0.11 -0.60 0.00 0.00 0.00 175.10 175.17 2dhx s ARG 14 N -0.71 0.75 -0.39 2.72 3.52 0.45 -1.34 118.95 123.93 2dhx s ARG 14 Ca 0.16 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2dhx s ARG 14 Cb -0.13 -0.69 -0.01 0.00 -1.56 0.00 0.00 34.95 32.56 2dhx s ARG 14 CO 0.06 0.17 0.36 0.41 -0.81 0.00 0.00 175.30 175.49 2dhx n GLY 15 N 2.05 -0.60 2.88 8.12 0.00 -1.26 0.19 105.19 116.57 2dhx n GLY 15 Ca -0.18 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2dhx n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dhx s LEU 16 N -3.24 1.12 0.37 0.99 2.96 -1.10 -3.89 118.68 115.88 2dhx s LEU 16 Ca 0.05 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.50 2dhx s LEU 16 Cb -0.01 -0.65 -0.09 0.00 0.50 0.00 0.00 46.19 45.94 2dhx s LEU 16 CO 0.36 -0.10 1.06 -2.16 -1.32 0.00 0.00 176.35 174.19 2dhx s PRO 17 N 1.45 4.30 0.41 0.98 0.04 -1.26 -4.14 135.00 136.78 2dhx s PRO 17 Ca -0.01 1.59 0.22 0.00 0.04 0.00 0.00 61.00 62.84 2dhx s PRO 17 Cb -0.13 -2.72 0.64 0.00 0.04 0.00 0.00 34.50 32.32 2dhx s PRO 17 CO -0.04 -0.04 1.70 -1.00 0.04 0.00 0.00 177.00 177.66 2dhx h PRO 18 N 2.87 0.00 -0.02 0.56 0.13 -1.86 -2.97 132.00 130.70 2dhx h PRO 18 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2dhx h PRO 18 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dhx h PRO 18 CO 0.64 0.24 0.26 0.00 -0.23 0.00 0.00 178.00 178.90 2dhx h ALA 19 N 1.76 1.30 -3.01 -0.56 0.00 -2.00 -3.37 119.26 113.38 2dhx h ALA 19 Ca -0.00 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2dhx h ALA 19 Cb 0.94 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 2dhx h ALA 19 CO 0.03 -0.27 -0.45 0.08 0.00 0.00 0.00 179.25 178.64 2dhx s VAL 20 N -4.14 5.32 1.09 0.00 1.01 -1.13 -5.08 120.40 117.47 2dhx s VAL 20 Ca -0.04 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 2dhx s VAL 20 Cb 0.10 -3.55 0.25 0.00 0.00 0.00 0.00 36.38 33.18 2dhx s VAL 20 CO 0.32 0.31 1.22 -2.16 0.00 0.00 0.00 175.10 174.80 2dhx s PRO 21 N 1.23 -0.35 0.03 2.72 0.04 -1.26 -4.92 135.00 132.48 2dhx s PRO 21 Ca 0.09 -0.28 -0.18 0.00 0.04 0.00 0.00 61.00 60.68 2dhx s PRO 21 Cb -0.14 -1.72 -0.22 0.00 0.04 0.00 0.00 34.50 32.46 2dhx s PRO 21 CO 0.06 -3.10 1.15 -0.44 0.04 0.00 0.00 177.00 174.71 2dhx h ASP 22 N -2.14 0.64 -0.89 6.66 5.19 -1.98 -2.88 116.42 121.03 2dhx h ASP 22 Ca -0.44 -0.73 0.14 0.00 -0.62 0.00 0.00 57.03 55.38 2dhx h ASP 22 Cb 1.26 -0.19 -0.14 0.00 0.18 0.00 0.00 39.33 40.43 2dhx h ASP 22 CO 0.35 1.28 -0.35 1.21 -3.12 0.00 0.00 179.24 178.61 2dhx n GLU 23 N -4.14 -0.21 0.12 3.56 2.13 -1.26 0.05 120.64 120.90 2dhx n GLU 23 Ca -0.10 1.37 -0.13 0.00 0.66 0.00 0.00 57.16 58.96 2dhx n GLU 23 Cb 0.70 -2.03 -0.08 0.00 0.27 0.00 0.00 31.44 30.30 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 -0.28 -1.08 4.31 3.38 -1.96 0.53 115.31 120.21 2dhx h LEU 24 Ca 0.31 -0.22 0.42 0.00 0.09 0.00 0.00 57.88 58.48 2dhx h LEU 24 Cb 0.53 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.20 2dhx h LEU 24 CO -0.88 0.10 0.63 -0.11 0.09 0.00 0.00 178.44 178.27 2dhx n LEU 25 N -5.08 0.28 -0.09 1.67 7.94 0.80 0.21 117.00 122.73 2dhx n LEU 25 Ca -0.09 1.47 -0.19 0.00 -1.11 0.00 0.00 56.01 56.09 2dhx n LEU 25 Cb 0.25 -0.72 -0.12 0.00 0.53 0.00 0.00 43.42 43.36 2dhx n LEU 25 CO 0.31 -1.63 -0.18 0.71 -1.11 0.00 0.00 177.39 175.49 2dhx h THR 26 N 0.00 1.23 -1.61 1.96 1.35 -0.15 -3.01 112.91 112.68 2dhx h THR 26 Ca 0.81 -2.22 0.47 0.00 -0.55 0.00 0.00 66.41 64.92 2dhx h THR 26 Cb 2.34 2.62 -0.06 0.00 -1.73 0.00 0.00 68.15 71.31 2dhx h THR 26 CO -0.62 0.42 1.20 0.17 -0.25 0.00 0.00 175.52 176.44 2dhx h LEU 27 N -1.00 0.00 0.00 3.87 8.10 0.44 1.74 115.31 128.47 2dhx h LEU 27 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.78 2dhx h LEU 27 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.39 2dhx h LEU 27 CO -0.13 0.00 -0.10 0.22 -4.11 0.00 0.00 178.44 174.32 2dhx h TYR 28 N 0.00 0.00 0.00 0.17 3.20 -0.60 -2.41 116.97 117.33 2dhx h TYR 28 Ca 0.76 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.63 2dhx h TYR 28 Cb 3.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 41.43 2dhx h TYR 28 CO 0.00 0.00 0.02 1.19 -1.64 0.00 0.00 178.16 177.73 2dhx n PHE 29 N -3.91 0.57 -0.02 -3.82 3.72 -0.16 -1.29 117.46 112.55 2dhx n PHE 29 Ca -0.01 0.30 -0.22 0.00 -0.05 0.00 0.00 57.45 57.47 2dhx n PHE 29 Cb 0.05 -0.96 -0.13 0.00 -0.94 0.00 0.00 39.48 37.50 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 0.20 -6.79 -1.08 5.08 0.24 -3.33 114.58 108.91 2dhx h GLU 30 Ca 0.00 -0.34 -0.53 0.00 -1.00 0.00 0.00 59.36 57.49 2dhx h GLU 30 Cb 0.04 0.13 0.08 0.00 0.50 0.00 0.00 28.75 29.49 2dhx h GLU 30 CO 0.00 1.16 0.85 1.21 -1.00 0.00 0.00 179.01 181.24 2dhx s ASN 31 N -7.01 6.44 0.11 1.42 3.84 -0.41 -4.41 114.94 114.93 2dhx s ASN 31 Ca -0.24 2.88 0.15 0.00 0.21 0.00 0.00 52.86 55.86 2dhx s ASN 31 Cb 0.06 -2.63 -0.10 0.00 -0.55 0.00 0.00 41.25 38.03 2dhx s ASN 31 CO 0.72 -0.86 1.02 0.08 -2.79 0.00 0.00 177.10 175.28 2dhx h ARG 32 N 4.88 0.00 0.12 0.43 0.11 -1.90 -2.99 114.38 115.03 2dhx h ARG 32 Ca -0.47 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.37 2dhx h ARG 32 Cb 1.22 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.33 2dhx h ARG 32 CO 0.79 0.45 -1.04 0.00 0.10 0.00 0.00 179.97 180.27 2dhx h ARG 33 N 0.00 0.50 -0.01 0.08 3.08 -1.93 -1.90 114.38 114.20 2dhx h ARG 33 Ca -0.12 -0.69 -0.00 0.00 0.07 0.00 0.00 59.98 59.24 2dhx h ARG 33 Cb 1.61 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 2dhx h ARG 33 CO 0.07 1.30 0.00 0.00 -1.07 0.00 0.00 179.97 180.27 2dhx h ARG 34 N 0.03 0.01 0.00 0.04 2.47 -1.86 -3.43 114.38 111.63 2dhx h ARG 34 Ca -0.16 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2dhx h ARG 34 Cb 1.76 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.08 2dhx h ARG 34 CO 0.20 0.22 0.00 -1.13 0.56 0.00 0.00 179.97 179.82 2dhx n SER 35 N -4.98 0.00 0.00 7.04 3.41 -1.14 -5.05 113.62 112.90 2dhx n SER 35 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2dhx n SER 35 Cb 0.13 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 3.28 0.74 0.00 5.00 0.00 -0.71 -4.95 105.19 108.54 2dhx n GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.51 0.00 -0.02 0.00 -1.26 -4.53 105.19 100.89 2dhx n GLY 37 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 4.64 2.25 3.80 -0.02 0.00 -1.25 -4.86 105.19 109.75 2dhx n GLY 38 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 2dhx n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhx s PRO 39 N 1.49 3.68 -0.26 1.61 0.04 -1.26 -3.89 135.00 136.41 2dhx s PRO 39 Ca 0.00 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 2dhx s PRO 39 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2dhx s PRO 39 CO 0.00 -0.52 0.11 0.08 0.04 0.00 0.00 177.00 176.71 2dhx s VAL 40 N -2.13 4.60 0.09 -0.36 1.01 -1.26 -2.29 120.40 120.06 2dhx s VAL 40 Ca 0.66 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 2dhx s VAL 40 Cb -0.16 -3.18 -0.14 0.00 0.00 0.00 0.00 36.38 32.90 2dhx s VAL 40 CO 0.25 0.30 1.67 0.25 0.00 0.00 0.00 175.10 177.57 2dhx h LEU 41 N 8.28 -0.47 -8.20 3.92 7.12 -1.64 -3.45 115.31 120.88 2dhx h LEU 41 Ca -0.37 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.56 2dhx h LEU 41 Cb 1.18 0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 41.42 2dhx h LEU 41 CO 0.57 -0.29 0.10 -0.55 -0.13 0.00 0.00 178.44 178.14 2dhx s SER 42 N -4.81 0.36 -0.14 1.25 0.15 -1.15 -5.00 113.70 104.37 2dhx s SER 42 Ca -0.15 -1.27 -0.14 0.00 0.70 0.00 0.00 55.95 55.08 2dhx s SER 42 Cb 0.06 0.78 0.04 0.00 -1.71 0.00 0.00 66.02 65.18 2dhx s SER 42 CO 0.64 -1.54 0.40 0.86 1.20 0.00 0.00 173.24 174.80 2dhx s TRP 43 N -2.61 -0.42 -0.32 3.44 -0.11 -1.26 -1.67 118.94 115.98 2dhx s TRP 43 Ca 0.21 1.00 -0.02 0.00 1.22 0.00 0.00 56.10 58.51 2dhx s TRP 43 Cb -0.03 0.15 0.11 0.00 -1.50 0.00 0.00 33.47 32.20 2dhx s TRP 43 CO 0.15 -0.23 0.14 -1.14 -4.62 0.00 0.00 176.95 171.25 2dhx s GLN 44 N 0.05 0.54 -0.16 5.86 0.74 0.07 -4.99 119.66 121.76 2dhx s GLN 44 Ca -0.01 -0.99 -0.29 0.00 0.05 0.00 0.00 55.36 54.11 2dhx s GLN 44 Cb -0.03 -1.59 -0.01 0.00 1.10 0.00 0.00 33.01 32.48 2dhx s GLN 44 CO 0.01 -1.05 1.14 0.50 -0.55 0.00 0.00 175.29 175.34 2dhx s ARG 45 N 1.60 4.29 -0.21 1.67 3.52 -1.26 -0.30 118.95 128.26 2dhx s ARG 45 Ca 0.12 1.52 -0.00 0.00 -0.13 0.00 0.00 55.73 57.23 2dhx s ARG 45 Cb -0.18 -3.65 0.02 0.00 -1.56 0.00 0.00 34.95 29.57 2dhx s ARG 45 CO -0.23 -0.58 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.03 2dhx s LEU 46 N 2.95 2.56 0.00 -0.88 1.43 -0.60 -4.86 118.68 119.28 2dhx s LEU 46 Ca 0.50 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2dhx s LEU 46 Cb -0.19 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2dhx s LEU 46 CO 0.13 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2dhx n GLY 47 N 4.64 0.26 0.69 -3.19 0.00 -1.26 -0.85 105.19 105.48 2dhx n GLY 47 Ca -0.19 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 2.45 0.80 0.00 0.00 0.00 -0.03 -2.71 105.19 105.71 2dhx n GLY 49 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 4.08 3.69 -0.02 0.00 -0.45 -1.55 105.19 115.94 2dhx n GLY 50 Ca 0.00 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 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 5.02 0.08 1.61 1.01 0.58 -0.60 120.40 126.05 2dhx s VAL 51 Ca 0.00 1.35 0.05 0.00 0.00 0.00 0.00 61.98 63.38 2dhx s VAL 51 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2dhx s VAL 51 CO 0.00 0.18 -0.02 -0.22 0.00 0.00 0.00 175.10 175.03 2dhx s LEU 52 N 1.37 3.38 -0.09 3.92 0.20 -0.09 -0.75 118.68 126.62 2dhx s LEU 52 Ca 0.34 -0.19 0.04 0.00 0.69 0.00 0.00 54.13 55.01 2dhx s LEU 52 Cb -0.17 -2.10 -0.01 0.00 -0.43 0.00 0.00 46.19 43.49 2dhx s LEU 52 CO 0.14 0.19 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.29 2dhx s THR 53 N -1.25 2.35 -0.15 3.68 2.01 -0.67 0.10 115.64 121.71 2dhx s THR 53 Ca 0.24 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 2dhx s THR 53 Cb -0.12 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2dhx s THR 53 CO 0.16 0.56 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.26 2dhx s PHE 54 N 0.12 3.05 0.12 4.92 0.40 -0.74 -1.85 117.98 124.01 2dhx s PHE 54 Ca -0.11 -0.21 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 2dhx s PHE 54 Cb -0.16 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.37 2dhx s PHE 54 CO 0.06 0.04 1.42 -0.09 0.70 0.00 0.00 175.22 177.35 2dhx h ARG 55 N 6.52 -0.02 -6.21 0.44 2.43 -1.76 -3.39 114.38 112.39 2dhx h ARG 55 Ca -0.34 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.34 2dhx h ARG 55 Cb 1.19 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2dhx h ARG 55 CO 0.63 -0.01 -0.47 -1.21 -1.51 0.00 0.00 179.97 177.39 2dhx s GLU 56 N -4.93 2.96 -0.04 0.20 0.41 -1.26 -4.82 118.70 111.22 2dhx s GLU 56 Ca -0.09 -1.08 -0.24 0.00 -0.41 0.00 0.00 54.97 53.15 2dhx s GLU 56 Cb 0.08 -2.61 -0.23 0.00 -1.78 0.00 0.00 34.13 29.60 2dhx s GLU 56 CO 0.48 0.28 1.07 -1.00 -0.49 0.00 0.00 175.26 175.60 2dhx h PRO 57 N 1.32 0.20 -0.64 0.39 0.13 -1.97 -2.86 132.00 128.58 2dhx h PRO 57 Ca -0.48 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.41 2dhx h PRO 57 Cb 1.24 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2dhx h PRO 57 CO 0.59 0.91 0.23 0.00 -0.23 0.00 0.00 178.00 179.49 2dhx h ALA 58 N 0.30 0.83 -0.03 -0.56 0.00 -1.96 0.14 119.26 117.98 2dhx h ALA 58 Ca -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2dhx h ALA 58 Cb 0.99 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dhx h ALA 58 CO 0.05 0.48 0.03 -0.44 0.00 0.00 0.00 179.25 179.37 2dhx h ASP 59 N 0.91 0.00 0.00 0.00 5.19 -1.89 0.36 116.42 120.98 2dhx h ASP 59 Ca 0.21 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.53 2dhx h ASP 59 Cb 0.25 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2dhx h ASP 59 CO -0.01 0.00 -0.48 0.00 -3.12 0.00 0.00 179.24 175.63 2dhx h ALA 60 N 1.96 0.10 -0.67 3.45 0.00 -0.94 -3.32 119.26 119.84 2dhx h ALA 60 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 54.91 54.25 2dhx h ALA 60 Cb 0.08 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2dhx h ALA 60 CO -0.00 0.27 0.44 0.93 0.00 0.00 0.00 179.25 180.90 2dhx h GLU 61 N -1.00 0.62 0.00 0.00 4.39 -0.11 0.33 114.58 118.80 2dhx h GLU 61 Ca -0.13 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 2dhx h GLU 61 Cb 1.07 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2dhx h GLU 61 CO -0.08 0.41 -0.00 0.00 -1.16 0.00 0.00 179.01 178.18 2dhx h ARG 62 N 0.64 0.00 0.06 2.33 3.08 -0.42 0.37 114.38 120.43 2dhx h ARG 62 Ca 0.29 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.98 2dhx h ARG 62 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2dhx h ARG 62 CO -0.09 0.00 -2.07 0.28 -1.07 0.00 0.00 179.97 177.01 2dhx n VAL 63 N -3.09 1.63 -0.33 2.04 0.31 0.99 -4.25 118.33 115.63 2dhx n VAL 63 Ca -0.02 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.77 2dhx n VAL 63 Cb 0.11 -1.72 0.08 0.00 -0.91 0.00 0.00 33.84 31.41 2dhx n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dhx h LEU 64 N -0.25 1.12 -1.90 7.52 3.38 -0.45 -1.79 115.31 122.95 2dhx h LEU 64 Ca -0.49 -0.12 0.56 0.00 0.09 0.00 0.00 57.88 57.92 2dhx h LEU 64 Cb 1.83 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 42.21 2dhx h LEU 64 CO -0.07 0.92 1.36 0.00 0.09 0.00 0.00 178.44 180.74 2dhx n ALA 65 N -2.41 1.83 -2.53 1.53 0.00 0.12 -3.61 120.51 115.43 2dhx n ALA 65 Ca 0.09 0.66 -0.42 0.00 0.00 0.00 0.00 53.44 53.77 2dhx n ALA 65 Cb 0.12 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 2dhx n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2dhx s GLN 66 N -4.85 3.43 0.00 0.00 0.74 -0.67 -4.89 119.66 113.41 2dhx s GLN 66 Ca -0.05 -0.28 0.25 0.00 0.05 0.00 0.00 55.36 55.32 2dhx s GLN 66 Cb 0.27 -3.89 1.47 0.00 1.10 0.00 0.00 33.01 31.96 2dhx s GLN 66 CO 0.87 -0.84 1.87 0.00 -0.55 0.00 0.00 175.29 176.64 2dhx n ALA 67 N 5.99 2.50 -2.38 1.58 0.00 -1.24 -4.70 120.51 122.26 2dhx n ALA 67 Ca -0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 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 -1.92 3.38 -0.25 0.00 2.15 -1.26 -4.79 116.67 113.97 2dhx s ASP 68 Ca 0.37 -0.56 -0.10 0.00 0.43 0.00 0.00 52.55 52.69 2dhx s ASP 68 Cb 0.17 -0.38 0.10 0.00 -0.30 0.00 0.00 42.92 42.51 2dhx s ASP 68 CO 0.28 0.25 0.56 -1.00 -0.17 0.00 0.00 175.17 175.10 2dhx s HIS 69 N -0.87 -1.08 -0.17 -5.34 3.76 -1.25 -5.01 115.29 105.33 2dhx s HIS 69 Ca 0.13 1.97 0.01 0.00 -0.15 0.00 0.00 55.06 57.02 2dhx s HIS 69 Cb -0.10 0.58 0.02 0.00 1.11 0.00 0.00 32.58 34.19 2dhx s HIS 69 CO 0.03 -0.56 -0.18 -2.00 -0.85 0.00 0.00 174.74 171.18 2dhx s GLU 70 N 2.51 2.73 -0.28 1.40 2.12 -1.26 -0.62 118.70 125.30 2dhx s GLU 70 Ca -0.06 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.53 2dhx s GLU 70 Cb -0.11 -2.39 0.12 0.00 0.26 0.00 0.00 34.13 32.01 2dhx s GLU 70 CO -0.17 -0.22 0.23 -1.17 -0.54 0.00 0.00 175.26 173.39 2dhx s LEU 71 N 1.35 0.05 -0.51 2.70 2.96 -1.18 -4.91 118.68 119.14 2dhx s LEU 71 Ca 0.05 -0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 53.06 2dhx s LEU 71 Cb -0.13 0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.72 2dhx s LEU 71 CO -0.12 -0.40 0.45 1.41 -1.32 0.00 0.00 176.35 176.38 2dhx n HIS 72 N 5.29 -1.36 -3.30 5.38 8.25 -1.26 -4.33 115.22 123.89 2dhx n HIS 72 Ca -0.04 0.48 -0.18 0.00 -0.26 0.00 0.00 57.72 57.73 2dhx n HIS 72 Cb 0.45 -3.24 0.02 0.00 1.12 0.00 0.00 29.99 28.34 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 0.09 0.00 -1.41 0.00 -1.26 -4.98 105.19 96.26 2dhx n GLY 73 Ca -0.03 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.62 0.00 -2.73 4.61 0.00 -1.26 -5.05 120.51 116.70 2dhx n ALA 74 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2dhx n ALA 74 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2dhx n ALA 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dhx s GLN 75 N 0.00 3.47 0.47 0.00 -0.21 -1.26 -3.09 119.66 119.03 2dhx s GLN 75 Ca 0.00 -1.18 -0.22 0.00 0.02 0.00 0.00 55.36 53.98 2dhx s GLN 75 Cb 0.00 -4.89 -0.07 0.00 1.00 0.00 0.00 33.01 29.05 2dhx s GLN 75 CO 0.00 -1.99 1.13 -0.51 -2.12 0.00 0.00 175.29 171.79 2dhx s LEU 76 N 4.16 3.96 -0.46 2.90 2.01 0.21 -4.89 118.68 126.57 2dhx s LEU 76 Ca 0.36 2.20 -0.07 0.00 0.01 0.00 0.00 54.13 56.64 2dhx s LEU 76 Cb -0.05 -4.33 0.12 0.00 0.01 0.00 0.00 46.19 41.93 2dhx s LEU 76 CO -0.04 -0.90 0.31 -0.44 1.01 0.00 0.00 176.35 176.29 2dhx s SER 77 N -1.54 5.54 0.09 2.29 0.01 0.49 -3.92 113.70 116.67 2dhx s SER 77 Ca 0.65 -2.01 -0.22 0.00 1.31 0.00 0.00 55.95 55.67 2dhx s SER 77 Cb -0.25 -1.94 -0.07 0.00 0.21 0.00 0.00 66.02 63.97 2dhx s SER 77 CO 0.31 -0.62 0.68 -0.76 0.41 0.00 0.00 173.24 173.25 2dhx s LEU 78 N 1.20 4.53 0.09 2.44 2.01 -1.26 0.17 118.68 127.86 2dhx s LEU 78 Ca 0.07 1.42 -0.16 0.00 0.01 0.00 0.00 54.13 55.48 2dhx s LEU 78 Cb -0.24 -3.09 0.03 0.00 0.01 0.00 0.00 46.19 42.89 2dhx s LEU 78 CO -0.02 0.19 0.37 -0.13 1.01 0.00 0.00 176.35 177.77 2dhx s ARG 79 N -0.86 0.98 -0.18 1.70 0.52 0.91 -4.94 118.95 117.08 2dhx s ARG 79 Ca 0.33 -0.62 -0.29 0.00 -0.52 0.00 0.00 55.73 54.62 2dhx s ARG 79 Cb -0.21 0.43 -0.01 0.00 0.52 0.00 0.00 34.95 35.68 2dhx s ARG 79 CO 0.22 -0.36 1.28 -1.25 0.02 0.00 0.00 175.30 175.21 2dhx s PRO 80 N -3.35 4.20 1.03 3.54 0.04 -1.26 0.17 135.00 139.36 2dhx s PRO 80 Ca 0.00 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2dhx s PRO 80 Cb 0.01 -3.78 0.21 0.00 0.04 0.00 0.00 34.50 30.98 2dhx s PRO 80 CO -0.09 -0.75 1.08 0.00 0.04 0.00 0.00 177.00 177.28 2dhx s ALA 81 N 3.61 0.65 0.47 8.56 0.00 -1.21 -4.55 121.76 129.29 2dhx s ALA 81 Ca 0.55 -0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 2dhx s ALA 81 Cb -0.21 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2dhx s ALA 81 CO 0.16 -3.05 1.04 -1.25 0.00 0.00 0.00 175.76 172.65 2dhx s PRO 82 N -4.82 3.85 -0.68 0.00 0.04 -1.26 -4.75 135.00 127.38 2dhx s PRO 82 Ca 0.66 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 2dhx s PRO 82 Cb -0.20 -2.16 -0.13 0.00 0.04 0.00 0.00 34.50 32.05 2dhx s PRO 82 CO 0.59 -0.39 2.64 -0.35 0.04 0.00 0.00 177.00 179.54 2dhx n PRO 83 N -0.83 2.22 -3.52 0.56 -0.04 -1.26 -4.65 135.00 127.48 2dhx n PRO 83 Ca 0.09 -1.32 -0.04 0.00 -0.04 0.00 0.00 63.50 62.18 2dhx n PRO 83 Cb 0.52 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 2dhx n PRO 83 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2dhx s ARG 84 N 2.26 0.45 0.91 0.54 6.06 -1.26 -5.09 118.95 122.82 2dhx s ARG 84 Ca 0.52 1.08 -0.10 0.00 -2.50 0.00 0.00 55.73 54.72 2dhx s ARG 84 Cb 0.18 0.41 0.14 0.00 0.06 0.00 0.00 34.95 35.73 2dhx s ARG 84 CO -0.03 -0.36 1.10 0.00 -2.50 0.00 0.00 175.30 173.51 2dhx n ALA 85 N 5.41 -0.89 -1.61 6.12 0.00 -1.26 -4.98 120.51 123.30 2dhx n ALA 85 Ca -0.07 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 2dhx n ALA 85 Cb 0.50 -2.17 0.03 0.00 0.00 0.00 0.00 19.45 17.81 2dhx n ALA 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dhx s PRO 86 N -4.53 3.10 -0.02 0.00 0.04 -1.26 -5.08 135.00 127.26 2dhx s PRO 86 Ca 0.67 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2dhx s PRO 86 Cb -0.23 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2dhx s PRO 86 CO 0.58 -0.97 0.04 0.00 0.04 0.00 0.00 177.00 176.69 2dhx s ALA 87 N -2.86 -0.04 0.00 8.56 0.00 -1.26 -5.14 121.76 121.02 2dhx s ALA 87 Ca 0.60 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2dhx s ALA 87 Cb -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2dhx s ALA 87 CO 0.49 -0.06 0.00 -2.13 0.00 0.00 0.00 175.76 174.05 2dhx n ARG 88 N 3.59 0.00 -2.81 0.00 0.00 -1.26 -5.12 116.66 111.06 2dhx n ARG 88 Ca -0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.63 2dhx n ARG 88 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.03 2dhx n ARG 88 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2dhx s LEU 89 N 0.00 -1.15 -0.30 6.15 2.96 -1.26 -5.11 118.68 119.98 2dhx s LEU 89 Ca 0.00 -1.21 -0.05 0.00 -0.22 0.00 0.00 54.13 52.65 2dhx s LEU 89 Cb 0.00 1.50 0.19 0.00 0.50 0.00 0.00 46.19 48.38 2dhx s LEU 89 CO 0.00 -0.06 0.84 -0.22 -1.32 0.00 0.00 176.35 175.59 2dhx s LEU 90 N 1.10 -0.94 -0.33 -0.68 1.98 -1.26 -5.11 118.68 113.45 2dhx s LEU 90 Ca 0.26 0.33 -0.39 0.00 -2.89 0.00 0.00 54.13 51.44 2dhx s LEU 90 Cb 0.02 1.68 -0.15 0.00 0.66 0.00 0.00 46.19 48.41 2dhx s LEU 90 CO -0.07 -0.17 1.94 0.18 -1.89 0.00 0.00 176.35 176.33 2dhx n LEU 91 N 5.36 2.14 -4.80 -0.68 7.99 -1.26 -4.89 117.00 120.86 2dhx n LEU 91 Ca 0.01 0.82 -0.34 0.00 -0.01 0.00 0.00 56.01 56.49 2dhx n LEU 91 Cb 0.54 -1.15 -0.04 0.00 -0.11 0.00 0.00 43.42 42.66 2dhx n LEU 91 CO -0.08 -0.56 0.71 -1.58 -1.51 0.00 0.00 177.39 174.38 2dhx s GLN 92 N 4.71 3.93 0.00 3.23 -0.44 -1.26 -4.95 119.66 124.88 2dhx s GLN 92 Ca 1.04 1.37 0.00 0.00 -2.50 0.00 0.00 55.36 55.28 2dhx s GLN 92 Cb -1.05 -2.21 0.00 0.00 -1.64 0.00 0.00 33.01 28.11 2dhx s GLN 92 CO 0.60 -0.32 0.00 0.41 0.50 0.00 0.00 175.29 176.48 2dhx n GLY 93 N -0.14 2.40 3.62 2.59 0.00 -1.26 -5.17 105.19 107.23 2dhx n GLY 93 Ca 0.08 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 3.18 0.83 0.99 2.96 -1.26 -5.13 118.68 120.25 2dhx s LEU 94 Ca 0.00 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 2dhx s LEU 94 Cb 0.00 -1.87 0.09 0.00 0.50 0.00 0.00 46.19 44.91 2dhx s LEU 94 CO 0.00 0.11 1.11 -2.16 -1.32 0.00 0.00 176.35 174.09 2dhx s PRO 95 N -2.76 1.81 0.47 0.98 0.04 -1.26 -5.03 135.00 129.25 2dhx s PRO 95 Ca 0.26 0.53 -0.21 0.00 0.04 0.00 0.00 61.00 61.62 2dhx s PRO 95 Cb -0.10 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2dhx s PRO 95 CO 0.17 -1.79 1.04 -1.25 0.04 0.00 0.00 177.00 175.21 2dhx s PRO 96 N -5.20 3.87 -0.05 0.56 0.04 -1.26 -5.06 135.00 127.90 2dhx s PRO 96 Ca 0.62 1.39 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2dhx s PRO 96 Cb -0.14 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2dhx s PRO 96 CO 0.54 -0.38 -0.17 0.20 0.04 0.00 0.00 177.00 177.24 2dhx s GLY 97 N -1.91 1.48 -0.29 0.56 0.00 -1.26 -5.11 107.32 100.80 2dhx s GLY 97 Ca 0.66 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 2dhx s GLY 97 CO 0.21 -0.72 0.98 -1.08 0.00 0.00 0.00 173.10 172.49 2dhx s THR 98 N -0.56 0.00 -0.30 0.90 -1.32 -1.26 -5.16 115.64 107.93 2dhx s THR 98 Ca 0.08 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.39 2dhx s THR 98 Cb -0.11 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.08 2dhx s THR 98 CO 0.01 0.00 1.24 -0.55 -2.21 0.00 0.00 174.62 173.11 2dhx s SER 99 N 1.18 -0.11 -0.40 8.08 0.15 -1.26 -5.12 113.70 116.22 2dhx s SER 99 Ca -0.07 0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.79 2dhx s SER 99 Cb -0.04 0.97 0.16 0.00 -1.71 0.00 0.00 66.02 65.41 2dhx s SER 99 CO -0.14 -0.03 0.35 -0.83 1.20 0.00 0.00 173.24 173.80 2dhx s GLY 100 N 0.99 0.79 1.01 9.45 0.00 -1.26 -5.14 107.32 113.16 2dhx s GLY 100 Ca -0.07 -2.02 -0.15 0.00 0.00 0.00 0.00 44.72 42.48 2dhx s GLY 100 CO -0.11 2.32 1.18 2.56 0.00 0.00 0.00 173.10 179.05 2dhx s PRO 101 N 0.46 0.30 -0.08 2.90 0.04 -1.26 -5.10 135.00 132.26 2dhx s PRO 101 Ca 0.28 -0.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.10 2dhx s PRO 101 Cb -0.04 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.78 2dhx s PRO 101 CO -0.13 -2.71 0.47 -1.12 0.04 0.00 0.00 177.00 173.55 2dhx s SER 102 N -4.25 -0.42 0.29 6.66 0.01 -1.26 -5.17 113.70 109.56 2dhx s SER 102 Ca 0.69 0.55 -0.19 0.00 1.31 0.00 0.00 55.95 58.31 2dhx s SER 102 Cb -0.10 0.60 0.02 0.00 0.21 0.00 0.00 66.02 66.75 2dhx s SER 102 CO 0.54 -0.40 0.70 -0.55 0.41 0.00 0.00 173.24 173.93 2dhx s SER 103 N -0.78 -0.17 0.00 2.44 0.15 -1.26 -5.37 113.70 108.70 2dhx s SER 103 Ca -0.09 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dhx s SER 103 Cb -0.03 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2dhx s SER 103 CO 0.05 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.72