#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmw s SER 2 N 0.00 -0.25 -0.47 1.61 0.15 -1.26 -5.10 113.70 108.39 2dmw s SER 2 Ca 0.00 -0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.03 2dmw s SER 2 Cb 0.00 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 2dmw s SER 2 CO 0.00 -0.95 2.33 -0.55 1.20 0.00 0.00 173.24 175.27 2dmw s SER 3 N -2.86 4.64 0.00 5.45 0.15 -1.26 -4.61 113.70 115.21 2dmw s SER 3 Ca 0.10 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.85 2dmw s SER 3 Cb -0.02 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dmw s SER 3 CO 0.00 -2.73 0.00 0.61 1.20 0.00 0.00 173.24 172.33 2dmw n GLY 4 N 5.94 -0.34 2.99 9.45 0.00 -1.26 -5.10 105.19 116.88 2dmw n GLY 4 Ca 0.34 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2dmw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmw s SER 5 N -4.00 2.79 -0.18 1.61 0.01 -1.26 -5.12 113.70 107.56 2dmw s SER 5 Ca 0.00 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 2dmw s SER 5 Cb 0.00 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 2dmw s SER 5 CO 0.00 -0.09 0.08 -0.55 0.41 0.00 0.00 173.24 173.09 2dmw s SER 6 N 1.50 5.83 0.00 2.44 0.15 -1.26 -5.01 113.70 117.36 2dmw s SER 6 Ca 0.03 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dmw s SER 6 Cb -0.14 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2dmw s SER 6 CO -0.10 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2dmw n GLY 7 N 3.32 2.53 3.10 9.45 0.00 -1.26 -4.89 105.19 117.44 2dmw n GLY 7 Ca -0.17 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 2dmw n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dmw s MET 8 N -1.95 0.63 0.02 1.61 0.00 -1.26 -5.08 119.30 113.27 2dmw s MET 8 Ca 0.00 -0.89 -0.28 0.00 0.00 0.00 0.00 55.69 54.52 2dmw s MET 8 Cb 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 34.83 34.56 2dmw s MET 8 CO 0.00 0.06 1.23 0.00 0.00 0.00 0.00 175.02 176.31 2dmw s ALA 9 N -1.72 -2.17 0.27 3.16 0.00 -1.26 -4.87 121.76 115.17 2dmw s ALA 9 Ca -0.05 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2dmw s ALA 9 Cb -0.08 0.57 -0.11 0.00 0.00 0.00 0.00 23.12 23.50 2dmw s ALA 9 CO 0.00 -1.08 1.57 0.42 0.00 0.00 0.00 175.76 176.67 2dmw s ILE 10 N -2.37 2.22 -0.04 0.00 1.01 -1.26 -4.47 121.20 116.28 2dmw s ILE 10 Ca 0.19 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.03 2dmw s ILE 10 Cb 0.02 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2dmw s ILE 10 CO -0.01 0.03 -0.02 0.18 0.00 0.00 0.00 174.94 175.11 2dmw n LEU 11 N 2.42 1.97 -4.43 2.97 4.77 -1.09 -4.93 117.00 118.68 2dmw n LEU 11 Ca 0.09 -0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 2dmw n LEU 11 Cb 0.38 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 2dmw n LEU 11 CO 0.63 0.41 -0.46 0.12 -1.33 0.00 0.00 177.39 176.76 2dmw s PHE 12 N -2.09 2.72 -0.28 -1.77 5.36 -1.22 -1.60 117.98 119.09 2dmw s PHE 12 Ca -0.05 -0.35 -0.06 0.00 -0.96 0.00 0.00 56.93 55.52 2dmw s PHE 12 Cb 0.01 -1.69 0.15 0.00 -0.34 0.00 0.00 43.02 41.15 2dmw s PHE 12 CO 0.12 0.04 0.58 0.00 -1.46 0.00 0.00 175.22 174.50 2dmw s ALA 13 N -0.35 -1.93 0.02 11.12 0.00 -1.23 -1.89 121.76 127.48 2dmw s ALA 13 Ca 0.03 1.96 -0.04 0.00 0.00 0.00 0.00 51.96 53.92 2dmw s ALA 13 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 2dmw s ALA 13 CO 0.02 -1.07 0.05 0.14 0.00 0.00 0.00 175.76 174.90 2dmw s VAL 14 N 2.82 0.11 -0.14 0.00 -7.23 -1.10 -2.98 120.40 111.87 2dmw s VAL 14 Ca 0.05 -0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 2dmw s VAL 14 Cb -0.13 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 2dmw s VAL 14 CO -0.19 -0.48 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.34 2dmw s VAL 15 N -1.62 3.37 -0.01 1.32 1.01 -0.89 -2.89 120.40 120.68 2dmw s VAL 15 Ca -0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2dmw s VAL 15 Cb -0.08 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2dmw s VAL 15 CO -0.01 0.52 0.08 0.00 0.00 0.00 0.00 175.10 175.69 2dmw s ALA 16 N 0.32 -0.18 -0.14 5.51 0.00 -0.20 -0.88 121.76 126.19 2dmw s ALA 16 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2dmw s ALA 16 Cb -0.15 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2dmw s ALA 16 CO 0.05 -0.11 -0.18 -0.98 0.00 0.00 0.00 175.76 174.54 2dmw s ARG 17 N -0.68 2.59 -0.79 0.00 1.70 0.60 0.42 118.95 122.80 2dmw s ARG 17 Ca -0.08 -0.69 -0.01 0.00 -0.47 0.00 0.00 55.73 54.49 2dmw s ARG 17 Cb -0.05 -2.21 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 2dmw s ARG 17 CO 0.00 -0.12 0.64 0.41 -1.08 0.00 0.00 175.30 175.14 2dmw n GLY 18 N 4.40 -1.26 3.89 3.88 0.00 -1.26 -2.31 105.19 112.54 2dmw n GLY 18 Ca -0.19 0.58 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 2dmw n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmw n THR 19 N -2.26 -3.43 -3.34 2.61 -2.24 -1.26 -4.96 114.28 99.39 2dmw n THR 19 Ca -0.21 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 60.96 2dmw n THR 19 Cb 0.63 -2.94 -0.08 0.00 -2.10 0.00 0.00 70.33 65.84 2dmw n THR 19 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dmw s THR 20 N -3.89 -0.58 -0.61 4.28 2.01 -0.98 -5.06 115.64 110.81 2dmw s THR 20 Ca 0.01 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.52 2dmw s THR 20 Cb -0.00 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.62 2dmw s THR 20 CO 0.87 -0.23 1.44 -0.63 -0.69 0.00 0.00 174.62 175.38 2dmw s ILE 21 N 2.51 3.71 0.00 1.82 1.01 -1.26 -0.29 121.20 128.71 2dmw s ILE 21 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2dmw s ILE 21 Cb -0.14 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2dmw s ILE 21 CO -0.23 -1.29 0.37 0.18 0.00 0.00 0.00 174.94 173.96 2dmw n LEU 22 N 9.95 0.64 -4.05 2.97 4.77 -0.06 -4.47 117.00 126.74 2dmw n LEU 22 Ca 0.11 0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 56.31 2dmw n LEU 22 Cb 0.50 -0.30 -0.16 0.00 -2.33 0.00 0.00 43.42 41.12 2dmw n LEU 22 CO 0.71 -0.30 -0.49 0.00 -1.33 0.00 0.00 177.39 175.98 2dmw s ALA 23 N -3.03 2.16 -0.13 -1.18 0.00 -1.17 -4.00 121.76 114.41 2dmw s ALA 23 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 2dmw s ALA 23 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2dmw s ALA 23 CO 0.00 -0.62 -0.09 -1.59 0.00 0.00 0.00 175.76 173.46 2dmw s LYS 24 N 1.34 3.39 -0.26 0.00 -2.85 -1.26 -2.09 119.74 118.00 2dmw s LYS 24 Ca 0.01 -0.60 -0.02 0.00 -1.00 0.00 0.00 55.97 54.36 2dmw s LYS 24 Cb -0.15 -2.73 0.15 0.00 -2.06 0.00 0.00 37.83 33.04 2dmw s LYS 24 CO -0.10 0.30 0.43 -1.58 0.10 0.00 0.00 175.35 174.50 2dmw s HIS 25 N 0.17 -1.02 0.20 1.78 2.46 -1.16 -4.91 115.29 112.81 2dmw s HIS 25 Ca -0.04 0.96 0.02 0.00 0.47 0.00 0.00 55.06 56.47 2dmw s HIS 25 Cb -0.14 0.12 -0.05 0.00 -0.13 0.00 0.00 32.58 32.37 2dmw s HIS 25 CO 0.04 -0.78 0.03 0.00 -2.47 0.00 0.00 174.74 171.55 2dmw s ALA 26 N 2.61 1.49 0.62 1.58 0.00 -1.26 -3.56 121.76 123.23 2dmw s ALA 26 Ca 0.14 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 2dmw s ALA 26 Cb -0.15 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 2dmw s ALA 26 CO -0.18 -0.35 1.08 -1.58 0.00 0.00 0.00 175.76 174.73 2dmw s TRP 27 N -3.67 2.81 0.02 0.00 0.52 -0.62 -4.99 118.94 113.01 2dmw s TRP 27 Ca 0.28 1.53 -0.30 0.00 0.02 0.00 0.00 56.10 57.63 2dmw s TRP 27 Cb 0.06 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.25 2dmw s TRP 27 CO 0.07 -1.38 1.08 0.00 0.02 0.00 0.00 176.95 176.74 2dmw n GLY 29 N 3.06 0.19 0.00 0.00 0.00 -1.26 -5.16 105.19 102.02 2dmw n GLY 29 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2dmw n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmw n GLY 30 N 0.00 1.64 3.20 -0.02 0.00 -1.26 -4.98 105.19 103.77 2dmw n GLY 30 Ca 0.00 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2dmw n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dmw s ASN 31 N 0.00 4.76 -0.21 1.61 0.01 -1.26 -4.95 114.94 114.91 2dmw s ASN 31 Ca 0.00 -1.10 -0.05 0.00 -0.71 0.00 0.00 52.86 51.00 2dmw s ASN 31 Cb 0.00 -1.72 -0.11 0.00 0.41 0.00 0.00 41.25 39.83 2dmw s ASN 31 CO 0.00 -0.22 -0.23 0.49 -1.51 0.00 0.00 177.10 175.63 2dmw n PHE 32 N 4.67 0.00 -0.51 2.20 3.72 -1.26 -4.47 117.46 121.81 2dmw n PHE 32 Ca -0.14 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 57.67 2dmw n PHE 32 Cb 0.45 -0.77 0.63 0.00 -0.94 0.00 0.00 39.48 38.85 2dmw n PHE 32 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2dmw n LEU 33 N -3.52 0.00 0.06 4.37 7.94 -1.26 -0.56 117.00 124.03 2dmw n LEU 33 Ca -0.39 0.81 -0.02 0.00 -1.11 0.00 0.00 56.01 55.30 2dmw n LEU 33 Cb 0.84 -0.38 -0.01 0.00 0.53 0.00 0.00 43.42 44.40 2dmw n LEU 33 CO 0.11 -0.81 0.37 -0.33 -1.11 0.00 0.00 177.39 175.62 2dmw h GLU 34 N 0.00 -0.16 -0.75 1.96 5.08 -2.00 -1.69 114.58 117.02 2dmw h GLU 34 Ca 0.72 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 59.16 2dmw h GLU 34 Cb 3.12 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 32.34 2dmw h GLU 34 CO -0.01 -0.10 0.43 -0.24 -1.00 0.00 0.00 179.01 178.09 2dmw h VAL 35 N -0.20 0.96 -0.02 3.13 3.04 -1.09 -2.25 116.25 119.82 2dmw h VAL 35 Ca -0.02 -0.26 0.03 0.00 -1.01 0.00 0.00 66.70 65.44 2dmw h VAL 35 Cb 0.12 0.12 -0.05 0.00 -2.01 0.00 0.00 31.29 29.48 2dmw h VAL 35 CO 0.03 0.14 -0.27 0.74 -1.01 0.00 0.00 177.57 177.20 2dmw h THR 36 N 0.77 0.39 -0.26 3.17 2.02 -1.22 -1.40 112.91 116.38 2dmw h THR 36 Ca 0.34 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.57 2dmw h THR 36 Cb 0.24 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 2dmw h THR 36 CO -0.20 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.30 2dmw h GLU 37 N -0.40 0.01 -0.99 6.66 5.08 -0.93 -0.25 114.58 123.76 2dmw h GLU 37 Ca 0.07 -0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.60 2dmw h GLU 37 Cb 0.49 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 2dmw h GLU 37 CO -0.25 0.00 0.62 1.96 -1.00 0.00 0.00 179.01 180.34 2dmw h GLN 38 N 0.01 0.78 -0.25 2.33 1.08 -0.98 -0.84 115.11 117.24 2dmw h GLN 38 Ca 0.12 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.14 2dmw h GLN 38 Cb 0.19 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2dmw h GLN 38 CO -0.26 0.51 -0.40 0.82 -0.95 0.00 0.00 178.83 178.55 2dmw h ILE 39 N 0.80 1.31 -0.37 2.54 1.08 -0.18 -3.25 117.51 119.43 2dmw h ILE 39 Ca 0.54 -1.60 0.08 0.00 -0.39 0.00 0.00 64.86 63.49 2dmw h ILE 39 Cb 0.80 1.71 -0.08 0.00 -3.07 0.00 0.00 36.82 36.19 2dmw h ILE 39 CO -0.33 0.51 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.43 2dmw h LEU 40 N 0.44 -0.51 -1.04 1.44 3.38 0.35 0.47 115.31 119.85 2dmw h LEU 40 Ca 0.02 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2dmw h LEU 40 Cb 1.00 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2dmw h LEU 40 CO 0.09 -0.18 0.23 0.00 0.09 0.00 0.00 178.44 178.67 2dmw h ALA 41 N 1.24 1.16 0.00 1.53 0.00 -1.46 0.19 119.26 121.91 2dmw h ALA 41 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 2dmw h ALA 41 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2dmw h ALA 41 CO -0.42 -0.16 -2.00 1.63 0.00 0.00 0.00 179.25 178.29 2dmw n LYS 42 N -2.12 1.35 -2.00 0.00 5.02 0.13 -4.96 118.16 115.59 2dmw n LYS 42 Ca -0.01 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 2dmw n LYS 42 Cb 0.26 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 2dmw n LYS 42 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dmw s ILE 43 N -2.48 3.18 0.81 -0.18 1.01 0.66 -4.99 121.20 119.20 2dmw s ILE 43 Ca -0.07 0.63 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 2dmw s ILE 43 Cb 0.05 -3.40 0.08 0.00 0.01 0.00 0.00 42.46 39.20 2dmw s ILE 43 CO 0.63 0.00 1.09 -2.16 0.00 0.00 0.00 174.94 174.51 2dmw s PRO 44 N 2.50 1.98 -0.47 2.79 0.04 -1.26 -4.93 135.00 135.65 2dmw s PRO 44 Ca 0.71 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.86 2dmw s PRO 44 Cb -0.38 -1.87 0.49 0.00 0.04 0.00 0.00 34.50 32.78 2dmw s PRO 44 CO 0.31 -1.81 1.68 0.43 0.04 0.00 0.00 177.00 177.65 2dmw n SER 45 N -3.62 5.52 -4.69 6.66 7.64 -1.26 -4.94 113.62 118.92 2dmw n SER 45 Ca 0.09 -3.76 -0.30 0.00 1.01 0.00 0.00 58.87 55.91 2dmw n SER 45 Cb 0.54 -0.72 -0.08 0.00 -1.01 0.00 0.00 64.21 62.93 2dmw n SER 45 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dmw s GLU 46 N -3.60 2.53 -1.06 1.43 0.41 -1.26 -4.72 118.70 112.43 2dmw s GLU 46 Ca 0.56 -0.86 -0.26 0.00 -0.41 0.00 0.00 54.97 54.00 2dmw s GLU 46 Cb 0.46 -2.52 -0.23 0.00 -1.78 0.00 0.00 34.13 30.05 2dmw s GLU 46 CO 0.02 0.53 2.11 0.09 -0.49 0.00 0.00 175.26 177.52 2dmw n ASN 47 N 0.50 1.27 -3.63 -0.19 3.02 -1.26 -4.69 115.26 110.29 2dmw n ASN 47 Ca -0.11 -2.44 -0.06 0.00 -0.03 0.00 0.00 54.58 51.94 2dmw n ASN 47 Cb 0.52 -1.72 -0.06 0.00 -0.61 0.00 0.00 39.78 37.91 2dmw n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dmw s ASN 48 N 8.49 -0.23 0.17 6.41 4.22 -1.26 -5.05 114.94 127.69 2dmw s ASN 48 Ca 0.81 0.40 0.09 0.00 -2.14 0.00 0.00 52.86 52.01 2dmw s ASN 48 Cb -0.05 0.38 -0.04 0.00 1.28 0.00 0.00 41.25 42.82 2dmw s ASN 48 CO 0.18 -0.12 -0.09 -1.59 -2.04 0.00 0.00 177.10 173.45 2dmw s LYS 49 N -0.24 2.08 -0.05 3.55 0.00 -1.26 -3.95 119.74 119.87 2dmw s LYS 49 Ca 0.05 -1.23 -0.06 0.00 0.00 0.00 0.00 55.97 54.73 2dmw s LYS 49 Cb -0.04 -2.19 0.01 0.00 0.00 0.00 0.00 37.83 35.62 2dmw s LYS 49 CO -0.09 0.44 0.15 -1.17 0.00 0.00 0.00 175.35 174.69 2dmw s LEU 50 N -2.76 1.44 -0.33 2.77 0.20 -1.24 -5.06 118.68 113.69 2dmw s LEU 50 Ca 0.25 0.23 -0.25 0.00 0.69 0.00 0.00 54.13 55.05 2dmw s LEU 50 Cb -0.09 0.55 0.01 0.00 -0.43 0.00 0.00 46.19 46.22 2dmw s LEU 50 CO 0.15 -0.10 0.87 -0.89 -0.29 0.00 0.00 176.35 176.09 2dmw s THR 51 N -0.13 4.68 -0.24 3.68 2.01 -1.26 -3.89 115.64 120.49 2dmw s THR 51 Ca -0.02 1.24 -0.07 0.00 0.31 0.00 0.00 61.69 63.15 2dmw s THR 51 Cb -0.02 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2dmw s THR 51 CO 0.00 -0.39 0.05 -0.47 -0.69 0.00 0.00 174.62 173.12 2dmw s TYR 52 N 3.23 3.06 -0.42 4.92 6.14 -0.65 -5.02 117.35 128.61 2dmw s TYR 52 Ca 0.36 -0.54 -0.17 0.00 0.64 0.00 0.00 57.07 57.36 2dmw s TYR 52 Cb -0.13 -2.21 0.02 0.00 0.42 0.00 0.00 41.96 40.06 2dmw s TYR 52 CO 0.15 -0.40 0.39 -1.54 0.64 0.00 0.00 175.55 174.79 2dmw s SER 53 N 1.58 6.17 -0.08 4.32 1.04 -1.26 -0.24 113.70 125.23 2dmw s SER 53 Ca 0.06 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.77 2dmw s SER 53 Cb -0.15 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 2dmw s SER 53 CO 0.02 -0.54 -0.21 -2.28 0.98 0.00 0.00 173.24 171.21 2dmw s HIS 54 N 1.98 2.57 0.00 5.02 2.46 -0.93 -4.99 115.29 121.40 2dmw s HIS 54 Ca 0.10 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 54.91 2dmw s HIS 54 Cb -0.18 -1.67 0.00 0.00 -0.13 0.00 0.00 32.58 30.60 2dmw s HIS 54 CO 0.12 -0.21 0.00 0.41 -2.47 0.00 0.00 174.74 172.59 2dmw n GLY 55 N 3.11 1.80 2.26 1.59 0.00 -1.26 -0.63 105.19 112.06 2dmw n GLY 55 Ca -0.18 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2dmw n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dmw n ASN 56 N -0.16 7.51 -3.72 1.61 4.13 -1.26 -4.91 115.26 118.46 2dmw n ASN 56 Ca 0.00 -3.67 -0.14 0.00 1.68 0.00 0.00 54.58 52.45 2dmw n ASN 56 Cb 0.00 -0.99 -0.09 0.00 -1.54 0.00 0.00 39.78 37.16 2dmw n ASN 56 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dmw s TYR 57 N -3.51 -0.30 -0.11 3.10 1.51 0.20 -4.22 117.35 114.02 2dmw s TYR 57 Ca 0.60 0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 57.06 2dmw s TYR 57 Cb 0.47 0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 42.42 2dmw s TYR 57 CO -0.01 -0.39 0.37 -0.51 -1.11 0.00 0.00 175.55 173.90 2dmw s LEU 58 N -1.00 4.32 -0.46 -1.29 1.43 -1.00 -2.18 118.68 118.50 2dmw s LEU 58 Ca -0.11 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 2dmw s LEU 58 Cb -0.04 -2.51 0.12 0.00 0.03 0.00 0.00 46.19 43.79 2dmw s LEU 58 CO 0.04 0.14 0.22 -0.36 0.23 0.00 0.00 176.35 176.62 2dmw s PHE 59 N 0.07 3.53 -0.22 0.29 0.40 0.67 -2.89 117.98 119.82 2dmw s PHE 59 Ca 0.21 -2.78 -0.10 0.00 -0.60 0.00 0.00 56.93 53.67 2dmw s PHE 59 Cb -0.14 -3.07 -0.05 0.00 0.51 0.00 0.00 43.02 40.27 2dmw s PHE 59 CO 0.08 -0.90 0.13 -1.01 0.70 0.00 0.00 175.22 174.23 2dmw s HIS 60 N 0.57 3.32 -0.04 0.36 3.76 -1.22 -1.63 115.29 120.41 2dmw s HIS 60 Ca 0.12 0.20 0.06 0.00 -0.15 0.00 0.00 55.06 55.29 2dmw s HIS 60 Cb -0.22 -2.21 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 2dmw s HIS 60 CO -0.04 0.11 -0.22 1.52 -0.85 0.00 0.00 174.74 175.26 2dmw s TYR 61 N 0.82 2.06 -0.18 1.40 -0.85 -1.25 -2.94 117.35 116.41 2dmw s TYR 61 Ca 0.07 -0.53 0.01 0.00 -0.52 0.00 0.00 57.07 56.10 2dmw s TYR 61 Cb -0.13 -1.35 0.02 0.00 0.38 0.00 0.00 41.96 40.88 2dmw s TYR 61 CO 0.02 -0.14 -0.20 0.42 -1.52 0.00 0.00 175.55 174.14 2dmw s ILE 62 N -0.23 2.05 0.02 -3.49 1.01 -1.11 -3.65 121.20 115.80 2dmw s ILE 62 Ca 0.01 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 2dmw s ILE 62 Cb -0.11 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 2dmw s ILE 62 CO 0.02 0.54 0.54 0.00 0.00 0.00 0.00 174.94 176.03 2dmw s GLN 64 N -0.73 0.33 -1.54 0.00 -0.44 -0.39 -4.37 119.66 112.53 2dmw s GLN 64 Ca 0.28 0.71 -0.14 0.00 -2.50 0.00 0.00 55.36 53.71 2dmw s GLN 64 Cb -0.18 0.29 0.09 0.00 -1.64 0.00 0.00 33.01 31.57 2dmw s GLN 64 CO 0.17 -0.09 0.93 -3.47 0.50 0.00 0.00 175.29 173.33 2dmw n ASP 65 N 4.42 -4.71 -1.46 6.67 2.03 -1.26 0.09 116.55 122.33 2dmw n ASP 65 Ca -0.13 -0.76 -0.14 0.00 0.52 0.00 0.00 54.79 54.27 2dmw n ASP 65 Cb 0.55 -3.77 -0.03 0.00 -0.72 0.00 0.00 41.12 37.15 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dmw n ARG 66 N -4.59 -1.10 -4.45 -0.67 5.12 -1.26 -4.99 116.66 104.71 2dmw n ARG 66 Ca 0.04 0.82 -0.31 0.00 -1.93 0.00 0.00 57.85 56.47 2dmw n ARG 66 Cb 0.52 -5.05 -0.17 0.00 -1.16 0.00 0.00 32.46 26.61 2dmw n ARG 66 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2dmw s ILE 67 N -2.66 1.76 -0.11 0.55 -1.09 0.11 -3.98 121.20 115.78 2dmw s ILE 67 Ca 0.00 -0.79 -0.04 0.00 -2.23 0.00 0.00 60.65 57.59 2dmw s ILE 67 Cb 0.00 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 2dmw s ILE 67 CO 0.00 0.49 0.06 -0.69 -1.23 0.00 0.00 174.94 173.57 2dmw s VAL 68 N 1.02 4.78 -0.37 2.92 1.01 0.17 -1.26 120.40 128.67 2dmw s VAL 68 Ca -0.04 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2dmw s VAL 68 Cb -0.15 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.28 2dmw s VAL 68 CO -0.04 0.59 0.11 -0.31 0.00 0.00 0.00 175.10 175.45 2dmw s TYR 69 N -0.74 2.97 0.07 5.22 1.51 -1.00 -1.04 117.35 124.34 2dmw s TYR 69 Ca 0.12 -2.64 -0.06 0.00 -1.01 0.00 0.00 57.07 53.48 2dmw s TYR 69 Cb -0.12 -2.50 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 2dmw s TYR 69 CO 0.03 -0.89 0.32 -1.17 -1.11 0.00 0.00 175.55 172.73 2dmw s LEU 70 N 0.87 4.33 0.02 -1.29 0.20 -1.14 -2.76 118.68 118.90 2dmw s LEU 70 Ca 0.12 0.57 -0.14 0.00 0.69 0.00 0.00 54.13 55.37 2dmw s LEU 70 Cb -0.20 -2.96 0.02 0.00 -0.43 0.00 0.00 46.19 42.62 2dmw s LEU 70 CO -0.11 0.16 0.29 0.00 -0.29 0.00 0.00 176.35 176.41 2dmw s ILE 72 N -1.96 2.54 0.31 0.00 1.01 -0.79 -3.41 121.20 118.90 2dmw s ILE 72 Ca -0.09 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2dmw s ILE 72 Cb -0.03 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 2dmw s ILE 72 CO 0.00 0.53 0.11 0.42 0.00 0.00 0.00 174.94 176.00 2dmw s THR 73 N 0.72 0.63 0.32 2.92 -4.23 -1.14 -2.67 115.64 112.19 2dmw s THR 73 Ca -0.07 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.27 2dmw s THR 73 Cb -0.16 -2.59 -0.09 0.00 1.34 0.00 0.00 72.50 71.00 2dmw s THR 73 CO 0.01 0.00 0.77 -1.81 -0.54 0.00 0.00 174.62 173.05 2dmw s ASP 74 N -3.41 6.86 0.18 3.99 1.01 -1.26 -2.36 116.67 121.68 2dmw s ASP 74 Ca 0.35 1.38 -0.20 0.00 0.71 0.00 0.00 52.55 54.79 2dmw s ASP 74 Cb 0.06 -2.41 0.12 0.00 1.01 0.00 0.00 42.92 41.71 2dmw s ASP 74 CO 0.15 -0.18 1.60 -2.24 0.21 0.00 0.00 175.17 174.70 2dmw h ASP 75 N 2.42 -1.04 -0.81 0.27 2.03 -1.94 0.90 116.42 118.25 2dmw h ASP 75 Ca -0.48 0.21 0.16 0.00 -0.73 0.00 0.00 57.03 56.19 2dmw h ASP 75 Cb 1.18 0.53 -0.10 0.00 -0.83 0.00 0.00 39.33 40.10 2dmw h ASP 75 CO 0.65 -0.29 0.35 0.44 -1.03 0.00 0.00 179.24 179.35 2dmw h ASP 76 N -0.16 0.34 -1.30 4.15 5.19 -1.95 -3.42 116.42 119.26 2dmw h ASP 76 Ca 0.23 0.12 -0.74 0.00 -0.62 0.00 0.00 57.03 56.01 2dmw h ASP 76 Cb 0.53 0.08 0.05 0.00 0.18 0.00 0.00 39.33 40.18 2dmw h ASP 76 CO -0.64 0.10 0.24 0.33 -3.12 0.00 0.00 179.24 176.16 2dmw n PHE 77 N -4.99 1.04 -2.22 4.55 7.35 0.31 -4.85 117.46 118.64 2dmw n PHE 77 Ca 0.17 0.87 -0.42 0.00 -0.76 0.00 0.00 57.45 57.31 2dmw n PHE 77 Cb 0.47 -2.20 -0.03 0.00 0.35 0.00 0.00 39.48 38.07 2dmw n PHE 77 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2dmw s GLU 78 N 0.24 4.38 0.16 -4.13 2.56 -1.26 -4.89 118.70 115.75 2dmw s GLU 78 Ca 0.88 2.04 -0.20 0.00 0.00 0.00 0.00 54.97 57.69 2dmw s GLU 78 Cb -1.13 -3.21 0.06 0.00 2.00 0.00 0.00 34.13 31.84 2dmw s GLU 78 CO 0.53 -0.29 1.65 0.00 -0.56 0.00 0.00 175.26 176.59 2dmw h ARG 79 N 5.72 -0.14 -0.74 4.30 3.08 -1.91 -1.71 114.38 122.99 2dmw h ARG 79 Ca -0.44 0.01 0.16 0.00 0.07 0.00 0.00 59.98 59.78 2dmw h ARG 79 Cb 1.21 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.16 2dmw h ARG 79 CO 0.79 -0.09 -0.08 0.77 -1.07 0.00 0.00 179.97 180.29 2dmw h SER 80 N -0.15 -0.50 -0.30 7.04 0.02 -1.99 -0.12 113.55 117.55 2dmw h SER 80 Ca 0.16 0.21 0.07 0.00 -0.84 0.00 0.00 61.79 61.39 2dmw h SER 80 Cb 0.39 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 63.25 2dmw h SER 80 CO -0.40 -0.21 -0.24 0.03 -1.14 0.00 0.00 176.83 174.87 2dmw h ARG 81 N 0.05 -0.21 0.23 3.45 2.47 -1.70 0.21 114.38 118.88 2dmw h ARG 81 Ca 0.38 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2dmw h ARG 81 Cb 0.64 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 2dmw h ARG 81 CO -0.70 -0.14 -0.42 0.00 0.56 0.00 0.00 179.97 179.27 2dmw h ALA 82 N 0.88 -0.98 -0.96 0.04 0.00 -0.88 -1.09 119.26 116.26 2dmw h ALA 82 Ca 0.16 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2dmw h ALA 82 Cb 0.46 0.74 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 2dmw h ALA 82 CO -0.43 -1.05 0.56 0.74 0.00 0.00 0.00 179.25 179.06 2dmw h PHE 83 N -0.69 0.98 0.48 0.00 0.04 -1.11 -0.80 116.94 115.84 2dmw h PHE 83 Ca -0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2dmw h PHE 83 Cb 0.65 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2dmw h PHE 83 CO -0.34 0.23 -0.43 -0.97 -0.60 0.00 0.00 178.31 176.20 2dmw h ASN 84 N 0.73 -1.16 -0.14 2.17 -0.73 0.10 0.73 115.58 117.29 2dmw h ASN 84 Ca 0.54 0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.83 2dmw h ASN 84 Cb 0.80 0.38 -0.03 0.00 0.27 0.00 0.00 38.32 39.74 2dmw h ASN 84 CO -0.37 -0.60 -0.07 0.15 -0.37 0.00 0.00 177.43 176.17 2dmw h PHE 85 N -0.91 -0.17 -0.50 0.67 3.57 -0.56 -1.49 116.94 117.55 2dmw h PHE 85 Ca -0.05 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.56 2dmw h PHE 85 Cb 0.79 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 2dmw h PHE 85 CO -0.21 -0.11 0.05 -0.07 -2.23 0.00 0.00 178.31 175.74 2dmw h LEU 86 N -0.06 -0.11 -0.89 0.59 3.38 -1.00 -0.92 115.31 116.30 2dmw h LEU 86 Ca 0.08 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2dmw h LEU 86 Cb 0.18 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2dmw h LEU 86 CO -0.18 -0.03 0.58 0.78 0.09 0.00 0.00 178.44 179.68 2dmw h ASN 87 N 0.17 0.97 0.19 -0.43 4.21 -0.39 0.52 115.58 120.82 2dmw h ASN 87 Ca 0.25 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.75 2dmw h ASN 87 Cb 0.37 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2dmw h ASN 87 CO -0.38 0.67 -0.15 -0.33 -1.29 0.00 0.00 177.43 175.95 2dmw h GLU 88 N 1.13 -0.32 -0.49 0.81 4.39 -0.15 -1.85 114.58 118.10 2dmw h GLU 88 Ca 0.35 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 2dmw h GLU 88 Cb -0.02 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2dmw h GLU 88 CO -0.11 -0.21 0.25 -0.84 -1.16 0.00 0.00 179.01 176.94 2dmw h ILE 89 N -0.33 1.16 -0.03 3.13 3.07 -1.37 -2.36 117.51 120.78 2dmw h ILE 89 Ca -0.03 -0.44 0.03 0.00 1.55 0.00 0.00 64.86 65.98 2dmw h ILE 89 Cb 0.27 0.52 -0.06 0.00 -0.27 0.00 0.00 36.82 37.28 2dmw h ILE 89 CO 0.01 0.18 -0.44 0.50 -1.05 0.00 0.00 178.15 177.35 2dmw h LYS 90 N 0.69 -0.55 -0.32 0.16 3.64 0.20 0.37 116.57 120.75 2dmw h LYS 90 Ca 0.17 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2dmw h LYS 90 Cb 0.05 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2dmw h LYS 90 CO -0.03 -0.37 0.14 0.87 -2.27 0.00 0.00 179.45 177.80 2dmw h LYS 91 N -0.57 0.48 -0.53 1.90 1.57 -1.19 -1.85 116.57 116.38 2dmw h LYS 91 Ca 0.05 -0.08 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 2dmw h LYS 91 Cb 0.66 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.79 2dmw h LYS 91 CO -0.34 0.46 -0.14 0.00 -0.57 0.00 0.00 179.45 178.86 2dmw h ARG 92 N 0.38 -0.01 -0.25 3.15 3.08 -0.95 0.76 114.38 120.55 2dmw h ARG 92 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 2dmw h ARG 92 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2dmw h ARG 92 CO -0.01 -0.01 -0.18 0.35 -1.07 0.00 0.00 179.97 179.05 2dmw h PHE 93 N -0.01 0.49 0.00 3.04 3.57 -0.79 0.75 116.94 123.98 2dmw h PHE 93 Ca 0.25 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 2dmw h PHE 93 Cb 0.40 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2dmw h PHE 93 CO -0.45 0.61 -0.56 1.96 -2.23 0.00 0.00 178.31 177.64 2dmw h GLN 94 N 0.41 0.00 0.00 1.11 4.20 0.01 1.00 115.11 121.84 2dmw h GLN 94 Ca 0.07 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 2dmw h GLN 94 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2dmw h GLN 94 CO 0.04 0.56 -1.64 2.41 -0.67 0.00 0.00 178.83 179.53 2dmw n THR 95 N -3.60 0.88 -0.02 -0.54 -1.04 0.24 -3.23 114.28 106.98 2dmw n THR 95 Ca -0.00 -0.66 -0.01 0.00 -2.04 0.00 0.00 64.05 61.34 2dmw n THR 95 Cb 0.62 -0.48 -0.00 0.00 -1.82 0.00 0.00 70.33 68.66 2dmw n THR 95 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2dmw n THR 96 N -2.70 0.34 -1.80 12.58 -1.04 0.26 -4.70 114.28 117.22 2dmw n THR 96 Ca -0.11 0.43 -0.18 0.00 -2.04 0.00 0.00 64.05 62.15 2dmw n THR 96 Cb 0.79 -1.71 0.08 0.00 -1.82 0.00 0.00 70.33 67.67 2dmw n THR 96 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2dmw n TYR 97 N -2.85 2.13 0.11 -1.42 4.01 0.09 -4.79 117.16 114.44 2dmw n TYR 97 Ca -0.02 -2.11 -0.06 0.00 -0.16 0.00 0.00 57.90 55.54 2dmw n TYR 97 Cb 0.08 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 38.60 2dmw n TYR 97 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2dmw h GLY 98 N 1.81 -0.40 0.31 2.72 0.00 0.95 -2.64 103.07 105.82 2dmw h GLY 98 Ca 0.32 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.89 2dmw h GLY 98 CO 0.68 -0.14 0.11 1.76 0.00 0.00 0.00 176.54 178.94 2dmw h SER 99 N -1.09 -0.00 0.08 0.19 0.02 -1.85 0.91 113.55 111.80 2dmw h SER 99 Ca -0.04 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2dmw h SER 99 Cb 0.32 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 2dmw h SER 99 CO 0.06 0.02 -0.07 0.03 -1.14 0.00 0.00 176.83 175.74 2dmw h ARG 100 N 0.24 0.00 0.00 3.45 -0.00 -1.91 -0.82 114.38 115.35 2dmw h ARG 100 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.75 2dmw h ARG 100 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2dmw h ARG 100 CO -0.35 0.07 0.00 0.00 0.00 0.00 0.00 179.97 179.69 2dmw n ALA 101 N -2.47 1.50 -0.04 0.04 0.00 0.31 0.69 120.51 120.55 2dmw n ALA 101 Ca -0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 2dmw n ALA 101 Cb 0.15 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2dmw n ALA 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dmw n GLN 102 N -1.28 0.65 0.01 0.00 1.13 -0.31 -4.74 117.38 112.83 2dmw n GLN 102 Ca 0.03 0.22 -0.03 0.00 -1.94 0.00 0.00 57.00 55.28 2dmw n GLN 102 Cb 0.05 -1.72 -0.01 0.00 0.11 0.00 0.00 30.24 28.67 2dmw n GLN 102 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2dmw n THR 103 N -2.96 0.98 -1.12 5.09 -2.24 -0.53 -5.06 114.28 108.43 2dmw n THR 103 Ca -0.21 0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.42 2dmw n THR 103 Cb 1.07 -1.69 0.03 0.00 -2.10 0.00 0.00 70.33 67.64 2dmw n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmw n ALA 104 N -3.56 -4.23 -1.15 6.98 0.00 0.22 -4.93 120.51 113.85 2dmw n ALA 104 Ca -0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 2dmw n ALA 104 Cb 0.26 -1.29 0.19 0.00 0.00 0.00 0.00 19.45 18.61 2dmw n ALA 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dmw s PRO 105 N -1.56 0.10 -0.02 0.00 0.04 -1.26 -4.81 135.00 127.49 2dmw s PRO 105 Ca 0.49 0.41 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 2dmw s PRO 105 Cb -0.34 -1.71 -0.20 0.00 0.04 0.00 0.00 34.50 32.29 2dmw s PRO 105 CO 0.74 -2.93 1.27 -1.00 0.04 0.00 0.00 177.00 175.12 2dmw h PRO 106 N -2.03 0.01 -2.13 0.56 0.13 -1.88 -3.28 132.00 123.38 2dmw h PRO 106 Ca -0.54 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.03 2dmw h PRO 106 Cb 1.33 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.29 2dmw h PRO 106 CO 0.55 0.50 0.81 0.66 -0.23 0.00 0.00 178.00 180.29 2dmw n TYR 107 N -4.85 1.82 -0.04 1.56 4.02 -1.26 -4.07 117.16 114.33 2dmw n TYR 107 Ca -0.08 -2.13 -0.09 0.00 -0.01 0.00 0.00 57.90 55.59 2dmw n TYR 107 Cb 0.25 -1.47 -0.03 0.00 -0.02 0.00 0.00 39.34 38.07 2dmw n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dmw n ALA 108 N 1.03 1.86 -1.01 -0.72 0.00 -1.24 -4.66 120.51 115.77 2dmw n ALA 108 Ca 0.52 -0.51 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2dmw n ALA 108 Cb 0.48 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.14 2dmw n ALA 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2dmw n MET 109 N -3.94 1.95 0.10 0.00 2.81 -1.26 -4.37 117.12 112.41 2dmw n MET 109 Ca -0.15 -1.80 -0.22 0.00 -1.81 0.00 0.00 57.70 53.72 2dmw n MET 109 Cb 0.42 -1.74 -0.15 0.00 -0.71 0.00 0.00 33.22 31.04 2dmw n MET 109 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2dmw h ASN 110 N 1.73 0.65 0.22 7.83 -0.73 -1.83 -3.07 115.58 120.38 2dmw h ASN 110 Ca 0.33 -0.94 -0.01 0.00 1.87 0.00 0.00 56.30 57.55 2dmw h ASN 110 Cb 0.88 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.26 2dmw h ASN 110 CO 0.84 1.54 -0.10 0.77 -0.37 0.00 0.00 177.43 180.11 2dmw h SER 111 N -0.13 -0.25 -0.61 1.15 4.64 -1.95 0.55 113.55 116.94 2dmw h SER 111 Ca -0.20 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.23 2dmw h SER 111 Cb 1.89 0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 63.93 2dmw h SER 111 CO 0.21 -0.01 -0.40 -0.33 -0.87 0.00 0.00 176.83 175.44 2dmw h GLU 112 N -0.64 -0.18 -0.10 4.77 5.08 -1.87 -1.02 114.58 120.63 2dmw h GLU 112 Ca -0.03 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2dmw h GLU 112 Cb 0.22 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2dmw h GLU 112 CO 0.05 -0.12 0.04 0.35 -1.00 0.00 0.00 179.01 178.33 2dmw h PHE 113 N -0.19 0.14 -0.92 4.33 3.57 -1.67 -2.47 116.94 119.74 2dmw h PHE 113 Ca 0.21 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.89 2dmw h PHE 113 Cb 0.56 -0.04 -0.17 0.00 2.79 0.00 0.00 35.95 39.08 2dmw h PHE 113 CO -0.70 0.25 -0.20 1.03 -2.23 0.00 0.00 178.31 176.46 2dmw h SER 114 N -0.00 -0.81 0.09 0.41 0.87 0.36 0.38 113.55 114.86 2dmw h SER 114 Ca 0.03 0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2dmw h SER 114 Cb 0.16 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2dmw h SER 114 CO -0.00 -0.30 -0.04 -1.28 -0.53 0.00 0.00 176.83 174.67 2dmw h SER 115 N 0.00 -0.10 0.25 6.23 0.87 -1.17 -2.37 113.55 117.26 2dmw h SER 115 Ca 0.45 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2dmw h SER 115 Cb 0.72 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 2dmw h SER 115 CO -0.93 0.22 -0.52 0.58 -0.53 0.00 0.00 176.83 175.65 2dmw h VAL 116 N -0.43 0.01 -0.29 2.23 2.07 -0.43 -2.38 116.25 117.04 2dmw h VAL 116 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2dmw h VAL 116 Cb 0.36 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 2dmw h VAL 116 CO 0.02 0.00 -0.40 -0.07 0.02 0.00 0.00 177.57 177.14 2dmw h LEU 117 N -0.84 -1.31 -0.92 2.57 3.38 -0.43 -1.58 115.31 116.19 2dmw h LEU 117 Ca -0.02 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.29 2dmw h LEU 117 Cb 0.80 0.56 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 2dmw h LEU 117 CO -0.21 -0.38 -0.37 0.00 0.09 0.00 0.00 178.44 177.57 2dmw h ALA 118 N 0.36 0.15 -1.00 1.53 0.00 -1.17 0.72 119.26 119.86 2dmw h ALA 118 Ca 0.12 0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2dmw h ALA 118 Cb 0.59 0.95 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 2dmw h ALA 118 CO -0.49 -0.62 0.64 0.00 0.00 0.00 0.00 179.25 178.78 2dmw h ALA 119 N 1.34 1.46 -0.55 0.00 0.00 -0.79 -1.35 119.26 119.36 2dmw h ALA 119 Ca 0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2dmw h ALA 119 Cb 0.59 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2dmw h ALA 119 CO -0.93 0.36 0.09 1.96 0.00 0.00 0.00 179.25 180.73 2dmw h GLN 120 N 1.10 0.92 0.48 0.00 1.08 0.10 -1.86 115.11 116.93 2dmw h GLN 120 Ca 0.45 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2dmw h GLN 120 Cb 0.29 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2dmw h GLN 120 CO -0.20 0.89 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.27 2dmw h LEU 121 N 0.81 -0.54 -0.99 1.46 3.38 0.03 -1.53 115.31 117.93 2dmw h LEU 121 Ca 0.17 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.41 2dmw h LEU 121 Cb 0.42 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.18 2dmw h LEU 121 CO 0.01 -0.35 0.56 0.11 0.09 0.00 0.00 178.44 178.87 2dmw h LYS 122 N -0.71 0.49 0.28 1.13 6.56 -1.35 0.14 116.57 123.12 2dmw h LYS 122 Ca -0.07 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.48 2dmw h LYS 122 Cb 0.49 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2dmw h LYS 122 CO 0.11 0.33 -0.14 1.25 -2.06 0.00 0.00 179.45 178.94 2dmw h HIS 123 N 0.51 -0.35 0.36 -1.35 -0.00 -1.25 -3.31 115.15 109.76 2dmw h HIS 123 Ca 0.65 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 61.00 2dmw h HIS 123 Cb 1.30 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.83 2dmw h HIS 123 CO -0.02 -0.20 -0.17 0.45 -0.00 0.00 0.00 177.93 177.98 2dmw h HIS 124 N -0.40 -0.44 -2.56 5.26 3.86 0.01 -3.42 115.15 117.45 2dmw h HIS 124 Ca -0.04 -0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 58.63 2dmw h HIS 124 Cb 0.31 0.15 0.04 0.00 1.06 0.00 0.00 27.41 28.96 2dmw h HIS 124 CO -0.05 -0.28 1.09 0.45 0.86 0.00 0.00 177.93 180.01 2dmw s SER 125 N -3.14 6.45 -0.11 2.45 0.15 0.32 -4.86 113.70 114.96 2dmw s SER 125 Ca -0.07 2.72 0.03 0.00 0.70 0.00 0.00 55.95 59.33 2dmw s SER 125 Cb 0.01 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.99 2dmw s SER 125 CO 0.21 -0.99 1.10 -0.24 1.20 0.00 0.00 173.24 174.53 2dmw n SER 126 N 5.64 2.90 0.00 5.45 2.88 -1.26 -4.39 113.62 124.83 2dmw n SER 126 Ca 0.17 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.30 2dmw n SER 126 Cb 0.38 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2dmw n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmw n GLY 127 N 0.08 -0.06 3.62 0.46 0.00 -1.26 -4.78 105.19 103.25 2dmw n GLY 127 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2dmw n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmw s PRO 128 N -0.80 3.65 -0.25 1.61 0.04 -1.26 -4.92 135.00 133.07 2dmw s PRO 128 Ca 0.00 1.52 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 2dmw s PRO 128 Cb 0.00 -4.08 -0.10 0.00 0.04 0.00 0.00 34.50 30.37 2dmw s PRO 128 CO 0.00 -1.47 2.13 0.45 0.04 0.00 0.00 177.00 178.14 2dmw n SER 129 N 8.98 2.79 -4.75 6.66 2.88 -1.26 -4.91 113.62 123.99 2dmw n SER 129 Ca 0.20 0.48 -0.40 0.00 -1.33 0.00 0.00 58.87 57.82 2dmw n SER 129 Cb 0.46 -1.38 -0.05 0.00 -0.75 0.00 0.00 64.21 62.50 2dmw n SER 129 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmw s SER 130 N 6.85 7.33 0.00 -3.46 0.01 -1.26 -5.20 113.70 117.97 2dmw s SER 130 Ca 1.03 2.19 0.00 0.00 1.31 0.00 0.00 55.95 60.48 2dmw s SER 130 Cb -0.66 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 62.95 2dmw s SER 130 CO 0.46 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.61