#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 -0.47 0.29 1.61 0.15 -1.26 -5.12 113.70 108.91 2dhx s SER 2 Ca 0.00 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2dhx s SER 2 Cb 0.00 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 2dhx s SER 2 CO 0.00 -0.09 0.00 -1.20 1.20 0.00 0.00 173.24 173.15 2dhx n SER 3 N 5.26 -8.19 -0.69 5.45 7.64 -1.26 -5.10 113.62 116.72 2dhx n SER 3 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2dhx n SER 3 Cb 0.56 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 2dhx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhx n GLY 4 N 0.58 1.22 3.70 0.23 0.00 -1.26 -5.13 105.19 104.53 2dhx n GLY 4 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.08 7.01 -0.27 1.61 0.15 -1.26 -5.01 113.70 115.86 2dhx s SER 5 Ca 0.00 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.65 2dhx s SER 5 Cb 0.00 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.79 2dhx s SER 5 CO 0.00 -0.56 -0.07 -0.55 1.20 0.00 0.00 173.24 173.26 2dhx s SER 6 N 1.35 4.48 -0.03 5.45 0.15 -1.26 -4.87 113.70 118.97 2dhx s SER 6 Ca 0.59 -1.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.03 2dhx s SER 6 Cb -0.29 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2dhx s SER 6 CO 0.26 -0.19 0.01 0.61 1.20 0.00 0.00 173.24 175.14 2dhx n GLY 7 N 4.55 -3.08 0.15 9.45 0.00 -1.26 -5.03 105.19 109.97 2dhx n GLY 7 Ca -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.13 0.18 2.95 -0.02 0.00 -1.26 -4.94 105.19 102.23 2dhx n GLY 8 Ca -0.02 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 1.31 -0.02 1.61 1.01 -1.26 -4.94 120.40 118.11 2dhx s VAL 9 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2dhx s VAL 9 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2dhx s VAL 9 CO 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 175.10 175.26 2dhx s ALA 10 N 1.57 1.31 -0.16 5.51 0.00 -1.26 -0.54 121.76 128.20 2dhx s ALA 10 Ca 0.03 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2dhx s ALA 10 Cb -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2dhx s ALA 10 CO -0.09 0.29 -0.18 0.08 0.00 0.00 0.00 175.76 175.87 2dhx s VAL 11 N -0.22 1.85 -0.30 0.00 1.01 0.44 -2.97 120.40 120.22 2dhx s VAL 11 Ca 0.03 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2dhx s VAL 11 Cb -0.08 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 2dhx s VAL 11 CO 0.00 0.51 1.40 -0.70 0.00 0.00 0.00 175.10 176.31 2dhx s GLU 12 N 1.28 3.83 -0.08 2.72 -6.30 0.37 -0.77 118.70 119.75 2dhx s GLU 12 Ca 0.03 1.31 -0.15 0.00 -2.50 0.00 0.00 54.97 53.65 2dhx s GLU 12 Cb -0.13 -3.94 -0.05 0.00 0.00 0.00 0.00 34.13 30.00 2dhx s GLU 12 CO -0.10 -1.24 0.39 0.08 0.02 0.00 0.00 175.26 174.42 2dhx s VAL 13 N 4.76 5.16 0.03 3.70 1.01 0.59 -0.60 120.40 135.04 2dhx s VAL 13 Ca 0.61 0.78 0.03 0.00 0.00 0.00 0.00 61.98 63.40 2dhx s VAL 13 Cb -0.18 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2dhx s VAL 13 CO 0.26 0.46 -0.08 -0.60 0.00 0.00 0.00 175.10 175.14 2dhx s ARG 14 N -0.22 0.58 -0.18 2.72 3.52 0.20 -1.77 118.95 123.81 2dhx s ARG 14 Ca 0.22 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.22 2dhx s ARG 14 Cb -0.15 -0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 32.76 2dhx s ARG 14 CO 0.10 0.11 0.16 0.41 -0.81 0.00 0.00 175.30 175.27 2dhx n GLY 15 N 2.00 0.51 2.97 8.12 0.00 -1.19 0.21 105.19 117.80 2dhx n GLY 15 Ca -0.19 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.38 1.44 0.53 0.99 2.96 -1.26 -3.92 118.68 116.04 2dhx s LEU 16 Ca 0.08 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.52 2dhx s LEU 16 Cb -0.01 -0.80 -0.07 0.00 0.50 0.00 0.00 46.19 45.81 2dhx s LEU 16 CO 0.13 -0.03 1.04 -2.16 -1.32 0.00 0.00 176.35 174.01 2dhx s PRO 17 N 1.10 3.62 0.11 0.98 0.04 -1.26 -4.10 135.00 135.49 2dhx s PRO 17 Ca -0.07 1.27 -0.09 0.00 0.04 0.00 0.00 61.00 62.16 2dhx s PRO 17 Cb -0.14 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.19 2dhx s PRO 17 CO -0.01 -0.57 1.28 -1.00 0.04 0.00 0.00 177.00 176.74 2dhx h PRO 18 N 1.08 0.60 -1.06 0.56 0.13 -1.99 -3.17 132.00 128.15 2dhx h PRO 18 Ca -0.48 -0.59 0.32 0.00 -0.87 0.00 0.00 66.00 64.38 2dhx h PRO 18 Cb 1.22 0.15 -0.13 0.00 0.13 0.00 0.00 31.00 32.37 2dhx h PRO 18 CO 0.59 1.20 0.63 0.00 -0.23 0.00 0.00 178.00 180.19 2dhx h ALA 19 N 0.61 2.11 -2.15 -0.56 0.00 -2.03 -3.36 119.26 113.89 2dhx h ALA 19 Ca -0.08 0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 2dhx h ALA 19 Cb 1.55 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 2dhx h ALA 19 CO 0.17 -0.68 0.81 0.08 0.00 0.00 0.00 179.25 179.63 2dhx s VAL 20 N -5.59 4.50 0.65 0.00 1.01 -1.20 -5.01 120.40 114.75 2dhx s VAL 20 Ca -0.09 1.80 -0.13 0.00 0.00 0.00 0.00 61.98 63.56 2dhx s VAL 20 Cb 0.29 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2dhx s VAL 20 CO 0.80 -0.13 1.05 -2.16 0.00 0.00 0.00 175.10 174.66 2dhx s PRO 21 N 3.11 3.14 0.36 2.72 0.04 -1.26 -4.90 135.00 138.21 2dhx s PRO 21 Ca 0.50 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.62 2dhx s PRO 21 Cb -0.19 -2.01 0.68 0.00 0.04 0.00 0.00 34.50 33.02 2dhx s PRO 21 CO 0.12 -0.94 2.02 -0.44 0.04 0.00 0.00 177.00 177.79 2dhx h ASP 22 N -0.20 0.66 -0.73 6.66 5.19 -1.95 -2.57 116.42 123.50 2dhx h ASP 22 Ca -0.45 -0.02 0.11 0.00 -0.62 0.00 0.00 57.03 56.05 2dhx h ASP 22 Cb 1.21 -0.17 -0.13 0.00 0.18 0.00 0.00 39.33 40.43 2dhx h ASP 22 CO 0.57 0.49 -0.39 -0.08 -3.12 0.00 0.00 179.24 176.71 2dhx h GLU 23 N 0.78 -0.12 -0.12 3.56 4.81 -2.00 0.15 114.58 121.64 2dhx h GLU 23 Ca 0.21 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2dhx h GLU 23 Cb -0.07 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2dhx h GLU 23 CO -0.04 -0.08 0.05 -0.07 -0.73 0.00 0.00 179.01 178.13 2dhx h LEU 24 N -0.13 0.16 -1.00 1.64 3.38 -1.85 0.43 115.31 117.94 2dhx h LEU 24 Ca 0.25 -0.16 0.26 0.00 0.09 0.00 0.00 57.88 58.33 2dhx h LEU 24 Cb 0.56 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.08 2dhx h LEU 24 CO -0.79 0.27 -0.01 0.25 0.09 0.00 0.00 178.44 178.25 2dhx h LEU 25 N 0.04 -0.55 0.01 1.67 5.85 -0.51 0.44 115.31 122.25 2dhx h LEU 25 Ca 0.04 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2dhx h LEU 25 Cb 0.16 0.51 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2dhx h LEU 25 CO -0.00 -0.36 -0.01 0.71 -0.34 0.00 0.00 178.44 178.44 2dhx h THR 26 N 0.00 1.15 -1.82 1.05 1.35 -0.64 -2.66 112.91 111.33 2dhx h THR 26 Ca 0.59 -1.82 0.55 0.00 -0.55 0.00 0.00 66.41 65.18 2dhx h THR 26 Cb 1.18 2.15 -0.10 0.00 -1.73 0.00 0.00 68.15 69.65 2dhx h THR 26 CO -0.95 0.38 1.28 0.00 -0.25 0.00 0.00 175.52 175.98 2dhx n LEU 27 N -4.69 0.06 -0.04 3.87 -0.00 0.15 0.21 117.00 116.55 2dhx n LEU 27 Ca -0.07 1.10 -0.01 0.00 -0.00 0.00 0.00 56.01 57.04 2dhx n LEU 27 Cb 0.31 -0.55 -0.00 0.00 -0.00 0.00 0.00 43.42 43.18 2dhx n LEU 27 CO 0.22 -1.13 -0.04 0.22 -0.00 0.00 0.00 177.39 176.66 2dhx h TYR 28 N 0.00 0.00 -0.70 1.47 3.20 -0.26 -2.89 116.97 117.79 2dhx h TYR 28 Ca 0.93 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.87 2dhx h TYR 28 Cb 3.53 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 41.74 2dhx h TYR 28 CO -0.00 0.00 0.37 0.74 -1.64 0.00 0.00 178.16 177.63 2dhx h PHE 29 N -0.83 0.67 -0.60 -3.82 0.04 -0.32 -1.57 116.94 110.50 2dhx h PHE 29 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.81 2dhx h PHE 29 Cb 0.06 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2dhx h PHE 29 CO -0.03 0.28 0.39 0.93 -0.60 0.00 0.00 178.31 179.28 2dhx h GLU 30 N 0.65 0.77 -6.74 1.51 5.08 0.23 -3.36 114.58 112.72 2dhx h GLU 30 Ca 0.33 -0.05 -0.53 0.00 -1.00 0.00 0.00 59.36 58.12 2dhx h GLU 30 Cb 0.29 -0.17 0.06 0.00 0.50 0.00 0.00 28.75 29.42 2dhx h GLU 30 CO -0.23 0.51 0.75 -0.80 -1.00 0.00 0.00 179.01 178.24 2dhx s ASN 31 N -5.72 6.68 -0.04 1.42 0.01 -0.59 -4.27 114.94 112.42 2dhx s ASN 31 Ca -0.13 2.65 -0.06 0.00 -0.71 0.00 0.00 52.86 54.60 2dhx s ASN 31 Cb 0.13 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2dhx s ASN 31 CO 0.75 -0.68 0.34 -0.09 -1.51 0.00 0.00 177.10 175.91 2dhx h ARG 32 N 5.02 -0.22 -0.88 -0.60 2.43 -1.81 -2.98 114.38 115.34 2dhx h ARG 32 Ca -0.46 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 58.89 2dhx h ARG 32 Cb 1.22 0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 30.66 2dhx h ARG 32 CO 0.77 -0.15 -0.26 0.00 -1.51 0.00 0.00 179.97 178.82 2dhx h ARG 33 N -0.77 -0.02 0.00 0.20 3.08 -1.93 0.59 114.38 115.54 2dhx h ARG 33 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2dhx h ARG 33 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2dhx h ARG 33 CO 0.04 -0.01 -0.08 0.00 -1.07 0.00 0.00 179.97 178.85 2dhx h ARG 34 N -0.02 -0.10 0.00 0.04 2.47 -1.83 -3.42 114.38 111.53 2dhx h ARG 34 Ca 0.39 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2dhx h ARG 34 Cb 0.63 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2dhx h ARG 34 CO -0.90 -0.06 -0.06 -1.13 0.56 0.00 0.00 179.97 178.38 2dhx n SER 35 N -2.93 0.16 0.00 7.04 3.41 -0.55 -5.03 113.62 115.71 2dhx n SER 35 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2dhx n SER 35 Cb 0.06 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 2.40 0.83 0.00 5.00 0.00 0.20 -4.93 105.19 108.68 2dhx n GLY 36 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.08 0.00 -0.02 0.00 -1.26 -3.41 105.19 100.42 2dhx n GLY 37 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.33 -0.53 3.76 -0.02 0.00 -1.26 -4.50 105.19 102.98 2dhx n GLY 38 Ca 0.00 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.42 4.52 -0.27 1.61 0.04 -1.26 -3.97 135.00 134.25 2dhx s PRO 39 Ca 0.00 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2dhx s PRO 39 Cb 0.00 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2dhx s PRO 39 CO 0.00 0.13 0.32 0.08 0.04 0.00 0.00 177.00 177.58 2dhx s VAL 40 N -1.31 5.22 0.08 -0.36 1.01 -1.26 -1.35 120.40 122.42 2dhx s VAL 40 Ca 0.48 0.47 -0.33 0.00 0.00 0.00 0.00 61.98 62.60 2dhx s VAL 40 Cb -0.29 -3.65 -0.17 0.00 0.00 0.00 0.00 36.38 32.27 2dhx s VAL 40 CO 0.36 0.19 1.62 0.25 0.00 0.00 0.00 175.10 177.53 2dhx h LEU 41 N 8.43 -0.85 -8.44 3.92 7.12 -1.65 -3.45 115.31 120.39 2dhx h LEU 41 Ca -0.33 0.04 -0.24 0.00 0.13 0.00 0.00 57.88 57.48 2dhx h LEU 41 Cb 1.17 0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 41.48 2dhx h LEU 41 CO 0.63 -0.55 -0.09 -0.55 -0.13 0.00 0.00 178.44 177.75 2dhx s SER 42 N -4.43 0.83 -0.11 1.25 0.15 -1.21 -5.00 113.70 105.18 2dhx s SER 42 Ca -0.18 -1.46 -0.13 0.00 0.70 0.00 0.00 55.95 54.89 2dhx s SER 42 Cb 0.04 0.71 0.03 0.00 -1.71 0.00 0.00 66.02 65.10 2dhx s SER 42 CO 0.62 -1.40 0.34 0.86 1.20 0.00 0.00 173.24 174.87 2dhx s TRP 43 N -2.81 -0.35 -0.33 3.44 -0.00 -1.26 -1.95 118.94 115.68 2dhx s TRP 43 Ca 0.28 0.81 -0.01 0.00 -0.00 0.00 0.00 56.10 57.18 2dhx s TRP 43 Cb -0.01 0.13 0.11 0.00 -0.00 0.00 0.00 33.47 33.69 2dhx s TRP 43 CO 0.20 -0.23 0.14 -1.14 -0.00 0.00 0.00 176.95 175.92 2dhx s GLN 44 N -0.11 0.62 -0.10 5.86 0.74 -0.28 -5.00 119.66 121.39 2dhx s GLN 44 Ca -0.03 -1.08 -0.30 0.00 0.05 0.00 0.00 55.36 54.00 2dhx s GLN 44 Cb -0.03 -1.71 -0.03 0.00 1.10 0.00 0.00 33.01 32.34 2dhx s GLN 44 CO 0.01 -1.05 1.26 0.50 -0.55 0.00 0.00 175.29 175.47 2dhx s ARG 45 N 1.51 4.29 0.09 1.67 3.52 -1.26 -0.98 118.95 127.78 2dhx s ARG 45 Ca 0.12 1.72 0.01 0.00 -0.13 0.00 0.00 55.73 57.44 2dhx s ARG 45 Cb -0.19 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.55 2dhx s ARG 45 CO -0.21 -0.59 0.06 1.28 -0.81 0.00 0.00 175.30 175.03 2dhx n LEU 46 N 5.89 0.00 0.00 -0.88 4.77 0.23 -4.87 117.00 122.14 2dhx n LEU 46 Ca 0.13 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2dhx n LEU 46 Cb 0.45 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2dhx n LEU 46 CO 0.56 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2dhx n GLY 47 N 3.94 0.00 2.86 -0.72 0.00 -1.26 -3.22 105.19 106.79 2dhx n GLY 47 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2dhx n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhx n GLY 49 N 1.14 0.52 0.00 0.00 0.00 -1.20 -3.17 105.19 102.48 2dhx n GLY 49 Ca 0.28 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 4.05 3.69 -0.02 0.00 -0.73 0.77 105.19 112.96 2dhx n GLY 50 Ca 0.00 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 0.06 1.61 1.01 -0.15 -0.30 120.40 125.79 2dhx s VAL 51 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2dhx s VAL 51 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2dhx s VAL 51 CO 0.00 0.27 -0.04 -0.22 0.00 0.00 0.00 175.10 175.11 2dhx s LEU 52 N 1.07 3.32 -0.10 3.92 0.20 0.05 -1.13 118.68 126.02 2dhx s LEU 52 Ca 0.24 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.90 2dhx s LEU 52 Cb -0.15 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2dhx s LEU 52 CO 0.09 0.22 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.32 2dhx s THR 53 N -1.18 2.79 -0.18 3.68 2.01 -0.82 0.17 115.64 122.10 2dhx s THR 53 Ca 0.22 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 2dhx s THR 53 Cb -0.11 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2dhx s THR 53 CO 0.13 0.55 0.00 -0.36 -0.69 0.00 0.00 174.62 174.26 2dhx s PHE 54 N 0.02 3.07 0.13 4.92 0.40 0.30 -1.89 117.98 124.94 2dhx s PHE 54 Ca -0.06 -0.31 -0.26 0.00 -0.60 0.00 0.00 56.93 55.70 2dhx s PHE 54 Cb -0.15 -2.05 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 2dhx s PHE 54 CO 0.05 -0.11 1.36 -2.13 0.70 0.00 0.00 175.22 175.09 2dhx n ARG 55 N 3.91 -0.37 -4.01 0.44 0.63 -0.46 -4.27 116.66 112.54 2dhx n ARG 55 Ca -0.17 1.33 -0.21 0.00 -0.92 0.00 0.00 57.85 57.88 2dhx n ARG 55 Cb 0.52 -1.96 -0.03 0.00 0.45 0.00 0.00 32.46 31.43 2dhx n ARG 55 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2dhx s GLU 56 N -5.25 3.09 -0.03 -0.14 0.41 -1.26 -4.81 118.70 110.71 2dhx s GLU 56 Ca -0.10 -0.97 -0.23 0.00 -0.41 0.00 0.00 54.97 53.26 2dhx s GLU 56 Cb 0.09 -2.68 -0.22 0.00 -1.78 0.00 0.00 34.13 29.54 2dhx s GLU 56 CO 0.52 0.37 1.08 -1.00 -0.49 0.00 0.00 175.26 175.74 2dhx h PRO 57 N 1.33 0.25 -0.65 0.39 0.13 -1.91 -2.81 132.00 128.74 2dhx h PRO 57 Ca -0.49 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.36 2dhx h PRO 57 Cb 1.24 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2dhx h PRO 57 CO 0.60 0.94 0.28 0.00 -0.23 0.00 0.00 178.00 179.59 2dhx h ALA 58 N 0.32 0.84 -0.97 -0.56 0.00 -1.96 0.32 119.26 117.25 2dhx h ALA 58 Ca -0.04 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.81 2dhx h ALA 58 Cb 1.04 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 2dhx h ALA 58 CO 0.06 0.45 0.61 -0.44 0.00 0.00 0.00 179.25 179.93 2dhx h ASP 59 N 0.91 0.92 0.03 0.00 3.32 -1.79 0.86 116.42 120.67 2dhx h ASP 59 Ca 0.22 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 2dhx h ASP 59 Cb 0.18 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2dhx h ASP 59 CO -0.02 0.53 -0.01 0.00 -1.72 0.00 0.00 179.24 178.02 2dhx h ALA 60 N 1.49 -0.04 -0.33 3.45 0.00 -1.10 -3.14 119.26 119.59 2dhx h ALA 60 Ca 0.46 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2dhx h ALA 60 Cb 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2dhx h ALA 60 CO -0.23 -0.30 0.08 0.93 0.00 0.00 0.00 179.25 179.73 2dhx h GLU 61 N -0.47 0.20 -0.55 0.00 4.39 -0.12 0.10 114.58 118.14 2dhx h GLU 61 Ca -0.00 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.84 2dhx h GLU 61 Cb 0.44 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2dhx h GLU 61 CO 0.01 0.14 0.71 -0.09 -1.16 0.00 0.00 179.01 178.61 2dhx h ARG 62 N 0.21 0.00 0.04 2.33 2.43 0.72 0.79 114.38 120.90 2dhx h ARG 62 Ca 0.15 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.05 2dhx h ARG 62 Cb 0.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2dhx h ARG 62 CO -0.19 0.00 -1.52 0.28 -1.51 0.00 0.00 179.97 177.04 2dhx n VAL 63 N -3.41 1.62 -0.35 0.20 0.31 0.18 -4.14 118.33 112.74 2dhx n VAL 63 Ca 0.11 -0.24 0.03 0.00 -0.01 0.00 0.00 64.34 64.23 2dhx n VAL 63 Cb 0.91 -1.94 0.18 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.64 0.95 -1.83 7.52 3.38 0.14 -0.25 115.31 124.58 2dhx h LEU 64 Ca -0.38 0.02 0.54 0.00 0.09 0.00 0.00 57.88 58.16 2dhx h LEU 64 Cb 1.55 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 2dhx h LEU 64 CO -0.11 0.58 1.30 0.00 0.09 0.00 0.00 178.44 180.30 2dhx n ALA 65 N -2.36 1.76 -2.58 1.53 0.00 0.24 -3.71 120.51 115.40 2dhx n ALA 65 Ca 0.15 0.66 -0.42 0.00 0.00 0.00 0.00 53.44 53.84 2dhx n ALA 65 Cb 0.22 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 -4.84 3.70 0.00 0.00 0.74 -0.10 -4.89 119.66 114.26 2dhx s GLN 66 Ca -0.05 0.15 0.23 0.00 0.05 0.00 0.00 55.36 55.74 2dhx s GLN 66 Cb 0.26 -3.81 1.36 0.00 1.10 0.00 0.00 33.01 31.92 2dhx s GLN 66 CO 0.85 -0.80 1.84 0.00 -0.55 0.00 0.00 175.29 176.63 2dhx n ALA 67 N 6.22 2.58 -2.57 1.58 0.00 -1.24 -4.72 120.51 122.35 2dhx n ALA 67 Ca 0.01 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 2dhx n ALA 67 Cb 0.48 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.77 2.19 -0.16 0.00 2.15 -1.26 -4.84 116.67 112.98 2dhx s ASP 68 Ca 0.34 -0.58 -0.09 0.00 0.43 0.00 0.00 52.55 52.65 2dhx s ASP 68 Cb 0.16 -0.14 0.06 0.00 -0.30 0.00 0.00 42.92 42.70 2dhx s ASP 68 CO 0.26 0.06 0.39 -1.00 -0.17 0.00 0.00 175.17 174.71 2dhx s HIS 69 N -1.01 -0.58 -0.13 -5.34 3.76 -1.24 -5.01 115.29 105.75 2dhx s HIS 69 Ca 0.04 1.24 0.03 0.00 -0.15 0.00 0.00 55.06 56.22 2dhx s HIS 69 Cb -0.09 0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.84 2dhx s HIS 69 CO 0.03 -0.34 -0.22 -2.00 -0.85 0.00 0.00 174.74 171.36 2dhx s GLU 70 N 1.45 3.06 -0.33 1.40 2.12 -1.26 -0.84 118.70 124.30 2dhx s GLU 70 Ca -0.09 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.40 2dhx s GLU 70 Cb -0.09 -2.41 0.14 0.00 0.26 0.00 0.00 34.13 32.03 2dhx s GLU 70 CO -0.12 0.06 0.33 -1.17 -0.54 0.00 0.00 175.26 173.82 2dhx s LEU 71 N 0.65 -0.14 -0.91 2.70 2.96 -1.10 -4.93 118.68 117.90 2dhx s LEU 71 Ca -0.11 -1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 52.62 2dhx s LEU 71 Cb -0.16 0.52 -0.05 0.00 0.50 0.00 0.00 46.19 47.00 2dhx s LEU 71 CO 0.02 -0.33 0.81 1.41 -1.32 0.00 0.00 176.35 176.94 2dhx n HIS 72 N 4.82 -2.52 -3.22 5.38 8.25 -1.26 -4.08 115.22 122.59 2dhx n HIS 72 Ca 0.04 0.91 -0.22 0.00 -0.26 0.00 0.00 57.72 58.19 2dhx n HIS 72 Cb 0.46 -4.04 0.02 0.00 1.12 0.00 0.00 29.99 27.55 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 -1.40 -0.62 0.00 -1.41 0.00 -1.26 -5.01 105.19 95.48 2dhx n GLY 73 Ca -0.05 0.94 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 0.11 0.00 -2.89 4.61 0.00 -1.26 -5.08 120.51 116.00 2dhx n ALA 74 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2dhx n ALA 74 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.14 3.21 -0.05 0.00 -1.52 -1.26 -2.71 119.66 117.19 2dhx s GLN 75 Ca 0.00 -1.07 -0.30 0.00 -1.95 0.00 0.00 55.36 52.04 2dhx s GLN 75 Cb 0.00 -4.39 -0.02 0.00 -0.22 0.00 0.00 33.01 28.38 2dhx s GLN 75 CO 0.00 -1.79 1.02 -0.51 -0.25 0.00 0.00 175.29 173.76 2dhx s LEU 76 N 3.68 4.31 -0.62 2.90 2.01 -0.02 -4.83 118.68 126.11 2dhx s LEU 76 Ca 0.24 1.63 -0.20 0.00 0.01 0.00 0.00 54.13 55.81 2dhx s LEU 76 Cb -0.15 -3.56 0.10 0.00 0.01 0.00 0.00 46.19 42.58 2dhx s LEU 76 CO 0.06 -0.38 0.78 -0.44 1.01 0.00 0.00 176.35 177.37 2dhx s SER 77 N 1.09 6.19 0.13 2.29 0.01 0.55 -3.59 113.70 120.38 2dhx s SER 77 Ca 0.51 -1.34 -0.22 0.00 1.31 0.00 0.00 55.95 56.20 2dhx s SER 77 Cb -0.20 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 2dhx s SER 77 CO 0.23 -1.20 0.68 -0.76 0.41 0.00 0.00 173.24 172.61 2dhx s LEU 78 N 3.03 4.55 0.10 2.44 2.01 -1.26 0.61 118.68 130.16 2dhx s LEU 78 Ca 0.15 1.47 -0.15 0.00 0.01 0.00 0.00 54.13 55.60 2dhx s LEU 78 Cb -0.22 -3.16 0.03 0.00 0.01 0.00 0.00 46.19 42.86 2dhx s LEU 78 CO 0.07 0.22 0.37 -0.13 1.01 0.00 0.00 176.35 177.89 2dhx s ARG 79 N -1.21 1.00 -0.32 1.70 0.52 0.23 -4.95 118.95 115.92 2dhx s ARG 79 Ca 0.34 -0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 2dhx s ARG 79 Cb -0.21 0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.70 2dhx s ARG 79 CO 0.23 -0.37 1.36 -1.25 0.02 0.00 0.00 175.30 175.28 2dhx s PRO 80 N -3.54 3.82 1.09 3.54 0.04 -1.26 0.14 135.00 138.82 2dhx s PRO 80 Ca 0.02 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 2dhx s PRO 80 Cb 0.02 -3.93 0.24 0.00 0.04 0.00 0.00 34.50 30.86 2dhx s PRO 80 CO -0.10 -1.25 1.07 0.00 0.04 0.00 0.00 177.00 176.76 2dhx s ALA 81 N 4.72 0.34 -0.29 8.56 0.00 -1.16 -4.60 121.76 129.33 2dhx s ALA 81 Ca 0.59 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 2dhx s ALA 81 Cb -0.17 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2dhx s ALA 81 CO 0.26 -3.32 1.34 -1.25 0.00 0.00 0.00 175.76 172.79 2dhx s PRO 82 N -4.83 3.90 0.45 0.00 0.04 -1.26 -4.84 135.00 128.46 2dhx s PRO 82 Ca 0.67 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 2dhx s PRO 82 Cb -0.20 -3.90 -0.09 0.00 0.04 0.00 0.00 34.50 30.35 2dhx s PRO 82 CO 0.60 -1.14 1.04 -1.25 0.04 0.00 0.00 177.00 176.29 2dhx s PRO 83 N 4.23 3.95 0.00 0.56 0.04 -1.26 -5.03 135.00 137.49 2dhx s PRO 83 Ca 0.58 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dhx s PRO 83 Cb -0.18 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2dhx s PRO 83 CO 0.24 -0.31 0.00 -2.13 0.04 0.00 0.00 177.00 174.83 2dhx n ARG 84 N -0.60 0.00 -3.59 4.56 0.00 -1.26 -5.19 116.66 110.59 2dhx n ARG 84 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.85 2dhx n ARG 84 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.93 2dhx n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dhx s ALA 85 N 0.00 -1.98 1.12 5.13 0.00 -1.26 -5.14 121.76 119.63 2dhx s ALA 85 Ca 0.00 1.62 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 2dhx s ALA 85 Cb 0.00 -0.77 0.27 0.00 0.00 0.00 0.00 23.12 22.61 2dhx s ALA 85 CO 0.00 -0.34 1.24 -1.25 0.00 0.00 0.00 175.76 175.40 2dhx s PRO 86 N -1.34 -0.61 -0.01 0.00 0.04 -1.26 -5.00 135.00 126.81 2dhx s PRO 86 Ca 0.02 -0.37 -0.23 0.00 0.04 0.00 0.00 61.00 60.47 2dhx s PRO 86 Cb -0.01 -1.70 -0.14 0.00 0.04 0.00 0.00 34.50 32.70 2dhx s PRO 86 CO -0.02 -3.25 1.01 0.00 0.04 0.00 0.00 177.00 174.78 2dhx h ALA 87 N -2.25 -0.53 -1.02 8.56 0.00 -2.01 -3.48 119.26 118.53 2dhx h ALA 87 Ca -0.43 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.51 2dhx h ALA 87 Cb 1.25 0.21 -0.33 0.00 0.00 0.00 0.00 17.79 18.92 2dhx h ALA 87 CO 0.30 -0.58 0.94 0.50 0.00 0.00 0.00 179.25 180.41 2dhx s ARG 88 N -4.16 0.02 -0.29 0.00 6.06 -1.26 -5.12 118.95 114.20 2dhx s ARG 88 Ca -0.13 0.02 -0.15 0.00 -2.50 0.00 0.00 55.73 52.97 2dhx s ARG 88 Cb 0.01 0.01 0.15 0.00 0.06 0.00 0.00 34.95 35.18 2dhx s ARG 88 CO 0.44 -0.00 0.92 -1.17 -2.50 0.00 0.00 175.30 172.99 2dhx s LEU 89 N -0.19 -0.64 -0.33 -0.88 1.98 -1.26 -5.09 118.68 112.27 2dhx s LEU 89 Ca 0.08 0.94 -0.04 0.00 -2.89 0.00 0.00 54.13 52.22 2dhx s LEU 89 Cb -0.04 1.82 0.25 0.00 0.66 0.00 0.00 46.19 48.88 2dhx s LEU 89 CO -0.15 -0.14 1.20 -0.11 -1.89 0.00 0.00 176.35 175.26 2dhx n LEU 90 N 4.42 -1.32 -4.58 -0.68 0.00 -1.26 -5.14 117.00 108.44 2dhx n LEU 90 Ca -0.14 -1.46 -0.44 0.00 0.00 0.00 0.00 56.01 53.97 2dhx n LEU 90 Cb 0.55 0.55 -0.01 0.00 0.00 0.00 0.00 43.42 44.50 2dhx n LEU 90 CO -0.01 1.42 0.53 0.18 0.00 0.00 0.00 177.39 179.51 2dhx n LEU 91 N 1.89 1.71 -3.57 -1.96 7.99 -1.26 -4.97 117.00 116.82 2dhx n LEU 91 Ca 0.05 1.16 0.02 0.00 -0.01 0.00 0.00 56.01 57.23 2dhx n LEU 91 Cb 0.69 -1.28 -0.06 0.00 -0.11 0.00 0.00 43.42 42.66 2dhx n LEU 91 CO -0.13 -1.51 0.97 -1.58 -1.51 0.00 0.00 177.39 173.63 2dhx s GLN 92 N -1.58 0.07 0.00 3.23 0.74 -1.26 -5.16 119.66 115.70 2dhx s GLN 92 Ca 0.59 0.12 0.00 0.00 0.05 0.00 0.00 55.36 56.12 2dhx s GLN 92 Cb -0.69 0.03 0.00 0.00 1.10 0.00 0.00 33.01 33.45 2dhx s GLN 92 CO 0.60 -0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.73 2dhx n GLY 93 N 3.39 1.81 3.43 2.59 0.00 -1.26 -5.18 105.19 109.96 2dhx n GLY 93 Ca -0.15 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.04 0.86 0.99 2.96 -1.26 -5.17 118.68 117.03 2dhx s LEU 94 Ca 0.00 0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 54.78 2dhx s LEU 94 Cb 0.00 1.85 0.11 0.00 0.50 0.00 0.00 46.19 48.65 2dhx s LEU 94 CO 0.00 -0.23 1.12 -2.16 -1.32 0.00 0.00 176.35 173.76 2dhx s PRO 95 N 0.08 1.52 0.85 0.98 0.04 -1.26 -5.05 135.00 132.16 2dhx s PRO 95 Ca -0.02 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.33 2dhx s PRO 95 Cb -0.04 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.73 2dhx s PRO 95 CO 0.02 -1.96 1.12 -1.25 0.04 0.00 0.00 177.00 174.96 2dhx s PRO 96 N -5.24 1.67 -0.30 0.56 0.04 -1.26 -5.08 135.00 125.39 2dhx s PRO 96 Ca 0.63 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 2dhx s PRO 96 Cb -0.15 -1.88 0.17 0.00 0.04 0.00 0.00 34.50 32.68 2dhx s PRO 96 CO 0.54 -1.87 0.61 0.20 0.04 0.00 0.00 177.00 176.51 2dhx s GLY 97 N -3.96 -0.88 -0.06 0.56 0.00 -1.26 -5.15 107.32 96.56 2dhx s GLY 97 Ca 0.62 2.00 0.05 0.00 0.00 0.00 0.00 44.72 47.39 2dhx s GLY 97 CO 0.54 3.24 -0.22 -1.59 0.00 0.00 0.00 173.10 175.07 2dhx s THR 98 N 2.86 1.83 -0.17 0.90 2.01 -1.26 -5.12 115.64 116.69 2dhx s THR 98 Ca 0.11 -0.92 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 2dhx s THR 98 Cb -0.14 -1.57 0.05 0.00 0.01 0.00 0.00 72.50 70.86 2dhx s THR 98 CO -0.20 0.51 0.56 -0.94 -0.69 0.00 0.00 174.62 173.86 2dhx s SER 99 N 0.06 -0.56 0.00 3.53 1.04 -1.26 -5.14 113.70 111.38 2dhx s SER 99 Ca -0.08 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2dhx s SER 99 Cb -0.14 0.99 0.00 0.00 0.10 0.00 0.00 66.02 66.97 2dhx s SER 99 CO 0.05 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2dhx n GLY 100 N 2.39 1.31 3.82 7.32 0.00 -1.26 -5.17 105.19 113.60 2dhx n GLY 100 Ca -0.15 0.44 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.04 2.89 0.17 1.61 0.04 -1.26 -5.07 135.00 133.35 2dhx s PRO 101 Ca 0.00 0.94 -0.23 0.00 0.04 0.00 0.00 61.00 61.75 2dhx s PRO 101 Cb 0.00 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2dhx s PRO 101 CO 0.00 -1.13 1.02 -1.54 0.04 0.00 0.00 177.00 175.39 2dhx s SER 102 N -3.80 -0.05 0.55 6.66 1.04 -1.26 -5.15 113.70 111.70 2dhx s SER 102 Ca 0.58 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2dhx s SER 102 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2dhx s SER 102 CO 0.55 -0.95 0.00 -0.24 0.98 0.00 0.00 173.24 173.58 2dhx n SER 103 N -0.99 -8.62 0.00 7.02 2.88 -1.26 -5.36 113.62 107.29 2dhx n SER 103 Ca -0.04 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 2dhx n SER 103 Cb 0.60 -4.95 0.00 0.00 -0.75 0.00 0.00 64.21 59.11 2dhx n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42