#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 4.19 -0.60 1.61 0.01 -1.26 -4.99 113.70 112.66 2dmw s SER 2 Ca 0.00 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2dmw s SER 2 Cb 0.00 -1.35 0.43 0.00 0.21 0.00 0.00 66.02 65.31 2dmw s SER 2 CO 0.00 -0.25 1.80 -1.54 0.41 0.00 0.00 173.24 173.66 2dmw n SER 3 N 4.54 6.92 -3.18 2.44 3.41 -1.26 -4.78 113.62 121.71 2dmw n SER 3 Ca -0.10 -3.79 -0.14 0.00 -0.26 0.00 0.00 58.87 54.59 2dmw n SER 3 Cb 0.43 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 2dmw n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmw s GLY 4 N -2.19 -0.18 0.40 5.00 0.00 -1.26 -5.14 107.32 103.95 2dmw s GLY 4 Ca 0.59 -1.09 -0.22 0.00 0.00 0.00 0.00 44.72 44.00 2dmw s GLY 4 CO -0.07 2.93 0.29 -1.14 0.00 0.00 0.00 173.10 175.11 2dmw n SER 5 N 3.52 -2.03 -4.62 1.64 3.41 -1.26 -4.80 113.62 109.48 2dmw n SER 5 Ca 0.18 0.86 -0.43 0.00 -0.26 0.00 0.00 58.87 59.22 2dmw n SER 5 Cb 0.50 -0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 2dmw n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmw s SER 6 N -0.99 6.48 0.00 4.04 0.15 -1.26 -4.91 113.70 117.21 2dmw s SER 6 Ca 0.61 1.18 0.00 0.00 0.70 0.00 0.00 55.95 58.44 2dmw s SER 6 Cb -0.64 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.14 2dmw s SER 6 CO 0.61 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2dmw n GLY 7 N 4.66 -0.36 3.46 9.45 0.00 -1.26 -4.93 105.19 116.21 2dmw n GLY 7 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2dmw n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dmw s MET 8 N 0.00 2.12 0.29 1.61 1.00 -1.26 -4.36 119.30 118.70 2dmw s MET 8 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 55.69 54.67 2dmw s MET 8 Cb 0.00 -2.21 -0.00 0.00 0.00 0.00 0.00 34.83 32.62 2dmw s MET 8 CO 0.00 0.55 0.43 0.00 0.00 0.00 0.00 175.02 176.00 2dmw s ALA 9 N -0.91 0.40 0.36 3.03 0.00 -1.26 -4.83 121.76 118.56 2dmw s ALA 9 Ca 0.14 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 2dmw s ALA 9 Cb -0.10 1.15 -0.11 0.00 0.00 0.00 0.00 23.12 24.05 2dmw s ALA 9 CO 0.05 -0.79 1.51 -0.89 0.00 0.00 0.00 175.76 175.64 2dmw n ILE 10 N -0.45 1.75 0.00 0.00 5.41 -1.26 -4.62 119.36 120.19 2dmw n ILE 10 Ca -0.00 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2dmw n ILE 10 Cb 0.62 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 2dmw n ILE 10 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2dmw n LEU 11 N 0.89 1.09 -4.54 1.39 4.77 -1.14 -4.87 117.00 114.59 2dmw n LEU 11 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 2dmw n LEU 11 Cb 0.38 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 2dmw n LEU 11 CO 0.64 0.17 -0.33 0.12 -1.33 0.00 0.00 177.39 176.65 2dmw s PHE 12 N -1.98 3.07 -0.27 -1.77 5.36 -1.16 -3.08 117.98 118.13 2dmw s PHE 12 Ca 0.00 -0.19 -0.04 0.00 -0.96 0.00 0.00 56.93 55.74 2dmw s PHE 12 Cb 0.00 -1.96 0.15 0.00 -0.34 0.00 0.00 43.02 40.88 2dmw s PHE 12 CO 0.00 0.04 0.54 0.00 -1.46 0.00 0.00 175.22 174.34 2dmw s ALA 13 N 0.23 -1.82 0.03 11.12 0.00 -1.25 -1.39 121.76 128.68 2dmw s ALA 13 Ca -0.01 1.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 2dmw s ALA 13 Cb -0.14 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2dmw s ALA 13 CO 0.02 -1.15 -0.00 0.14 0.00 0.00 0.00 175.76 174.77 2dmw s VAL 14 N 2.77 0.13 -0.26 0.00 -7.23 -1.10 -3.63 120.40 111.09 2dmw s VAL 14 Ca 0.10 -1.09 -0.06 0.00 -1.81 0.00 0.00 61.98 59.13 2dmw s VAL 14 Cb -0.14 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 2dmw s VAL 14 CO -0.18 -0.60 0.04 -0.69 -0.31 0.00 0.00 175.10 173.36 2dmw s VAL 15 N -2.04 3.87 -0.01 1.32 1.01 -0.79 -3.08 120.40 120.67 2dmw s VAL 15 Ca -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2dmw s VAL 15 Cb -0.05 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2dmw s VAL 15 CO -0.03 0.26 -0.02 0.00 0.00 0.00 0.00 175.10 175.30 2dmw s ALA 16 N 1.52 0.27 -0.60 5.51 0.00 -0.09 -2.52 121.76 125.85 2dmw s ALA 16 Ca 0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.75 2dmw s ALA 16 Cb -0.16 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.91 2dmw s ALA 16 CO 0.01 0.03 0.80 -0.98 0.00 0.00 0.00 175.76 175.62 2dmw s ARG 17 N 0.23 3.10 1.43 0.00 1.70 0.87 0.35 118.95 126.64 2dmw s ARG 17 Ca -0.02 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.24 2dmw s ARG 17 Cb -0.05 -4.21 0.00 0.00 -0.57 0.00 0.00 34.95 30.12 2dmw s ARG 17 CO -0.01 -1.59 0.00 0.41 -1.08 0.00 0.00 175.30 173.04 2dmw n GLY 18 N 5.27 1.50 0.00 3.88 0.00 -1.26 -2.09 105.19 112.49 2dmw n GLY 18 Ca -0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 -3.34 2.61 -2.24 -1.26 -4.31 114.28 105.73 2dmw n THR 19 Ca 0.00 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.17 2dmw n THR 19 Cb 0.00 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.93 5.09 -0.26 4.28 2.01 -0.89 -4.96 115.64 119.98 2dmw s THR 20 Ca 0.00 0.97 -0.10 0.00 0.31 0.00 0.00 61.69 62.87 2dmw s THR 20 Cb 0.00 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2dmw s THR 20 CO 0.00 0.41 0.15 -0.63 -0.69 0.00 0.00 174.62 173.86 2dmw s ILE 21 N 0.03 5.13 -0.07 1.82 1.01 -1.26 -0.09 121.20 127.76 2dmw s ILE 21 Ca 0.26 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.97 2dmw s ILE 21 Cb -0.16 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 2dmw s ILE 21 CO 0.12 0.30 -0.08 -0.07 0.00 0.00 0.00 174.94 175.21 2dmw h LEU 22 N 8.03 0.00 -7.80 2.97 3.38 -1.87 -3.27 115.31 116.74 2dmw h LEU 22 Ca -0.36 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.04 2dmw h LEU 22 Cb 1.18 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.57 2dmw h LEU 22 CO 0.59 0.39 -0.82 0.00 0.09 0.00 0.00 178.44 178.69 2dmw s ALA 23 N -2.84 1.59 -0.00 1.53 0.00 -1.19 -2.45 121.76 118.40 2dmw s ALA 23 Ca -0.07 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2dmw s ALA 23 Cb 0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2dmw s ALA 23 CO 0.10 -0.39 -0.22 -1.59 0.00 0.00 0.00 175.76 173.65 2dmw s LYS 24 N 1.59 2.13 -0.30 0.00 -2.85 -1.26 -1.89 119.74 117.16 2dmw s LYS 24 Ca 0.05 -0.92 -0.01 0.00 -1.00 0.00 0.00 55.97 54.09 2dmw s LYS 24 Cb -0.13 -2.13 0.19 0.00 -2.06 0.00 0.00 37.83 33.71 2dmw s LYS 24 CO -0.09 0.56 0.62 -1.58 0.10 0.00 0.00 175.35 174.96 2dmw s HIS 25 N -0.72 -1.57 0.19 1.78 2.46 -1.24 -4.81 115.29 111.37 2dmw s HIS 25 Ca 0.11 1.60 0.01 0.00 0.47 0.00 0.00 55.06 57.26 2dmw s HIS 25 Cb -0.10 0.53 -0.05 0.00 -0.13 0.00 0.00 32.58 32.83 2dmw s HIS 25 CO 0.01 -0.87 0.03 0.00 -2.47 0.00 0.00 174.74 171.44 2dmw s ALA 26 N 2.86 1.40 0.45 1.58 0.00 -1.26 -3.80 121.76 122.99 2dmw s ALA 26 Ca 0.19 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.28 2dmw s ALA 26 Cb -0.14 0.68 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 2dmw s ALA 26 CO -0.21 -0.36 1.05 -1.58 0.00 0.00 0.00 175.76 174.66 2dmw s TRP 27 N -3.71 3.09 0.04 0.00 0.52 -1.18 -5.00 118.94 112.72 2dmw s TRP 27 Ca 0.27 1.60 -0.30 0.00 0.02 0.00 0.00 56.10 57.69 2dmw s TRP 27 Cb 0.06 -3.12 -0.05 0.00 -1.15 0.00 0.00 33.47 29.22 2dmw s TRP 27 CO 0.06 -0.81 1.16 0.00 0.02 0.00 0.00 176.95 177.38 2dmw n GLY 29 N 3.17 1.52 0.00 0.00 0.00 -1.26 -5.16 105.19 103.45 2dmw n GLY 29 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.01 3.35 -0.02 0.00 -1.26 -4.93 105.19 104.34 2dmw n GLY 30 Ca 0.00 -1.82 -0.45 0.00 0.00 0.00 0.00 46.02 43.75 2dmw n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmw s ASN 31 N -0.16 6.18 -0.23 1.61 2.20 -1.26 -4.85 114.94 118.43 2dmw s ASN 31 Ca 0.00 -1.55 0.03 0.00 -0.94 0.00 0.00 52.86 50.41 2dmw s ASN 31 Cb 0.00 -2.23 -0.16 0.00 -2.00 0.00 0.00 41.25 36.86 2dmw s ASN 31 CO 0.00 -0.88 -0.18 0.49 -2.94 0.00 0.00 177.10 173.59 2dmw n PHE 32 N 5.57 0.00 0.04 1.54 3.72 -1.26 -4.36 117.46 122.71 2dmw n PHE 32 Ca -0.12 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.48 2dmw n PHE 32 Cb 0.42 -0.90 0.56 0.00 -0.94 0.00 0.00 39.48 38.62 2dmw n PHE 32 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2dmw h LEU 33 N 0.00 0.00 0.34 4.37 5.85 -1.99 -0.45 115.31 123.43 2dmw h LEU 33 Ca -0.52 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 2dmw h LEU 33 Cb 1.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2dmw h LEU 33 CO -0.07 0.00 -0.16 -0.08 -0.34 0.00 0.00 178.44 177.79 2dmw h GLU 34 N 0.00 -0.44 -0.53 1.25 4.81 -1.99 -2.05 114.58 115.63 2dmw h GLU 34 Ca 0.25 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 2dmw h GLU 34 Cb 1.80 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 31.25 2dmw h GLU 34 CO -0.00 -0.29 0.35 -0.24 -0.73 0.00 0.00 179.01 178.10 2dmw h VAL 35 N -0.85 0.99 0.47 0.32 3.04 -1.42 -2.22 116.25 116.58 2dmw h VAL 35 Ca -0.05 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2dmw h VAL 35 Cb 0.35 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2dmw h VAL 35 CO 0.08 0.09 -0.22 0.74 -1.01 0.00 0.00 177.57 177.24 2dmw h THR 36 N 0.49 0.49 -0.74 3.17 2.02 -1.21 -2.15 112.91 114.97 2dmw h THR 36 Ca 0.23 -0.34 0.12 0.00 0.77 0.00 0.00 66.41 67.18 2dmw h THR 36 Cb 0.27 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 2dmw h THR 36 CO -0.06 0.06 0.34 -0.33 0.37 0.00 0.00 175.52 175.90 2dmw h GLU 37 N -0.85 0.53 -0.46 6.66 4.39 -1.06 0.90 114.58 124.69 2dmw h GLU 37 Ca -0.06 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.64 2dmw h GLU 37 Cb 0.57 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 2dmw h GLU 37 CO 0.11 0.35 0.25 1.96 -1.16 0.00 0.00 179.01 180.51 2dmw h GLN 38 N 0.54 0.48 -0.51 2.33 4.20 -1.35 -2.34 115.11 118.46 2dmw h GLN 38 Ca 0.39 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.98 2dmw h GLN 38 Cb 0.50 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2dmw h GLN 38 CO -0.33 0.32 -0.01 0.82 -0.67 0.00 0.00 178.83 178.96 2dmw h ILE 39 N 0.49 1.26 -0.28 2.54 1.08 -0.57 -3.15 117.51 118.88 2dmw h ILE 39 Ca 0.19 -1.10 0.07 0.00 -0.39 0.00 0.00 64.86 63.63 2dmw h ILE 39 Cb 0.07 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 2dmw h ILE 39 CO -0.12 0.39 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.47 2dmw h LEU 40 N 0.77 -0.61 -1.08 1.44 3.38 -0.45 0.44 115.31 119.20 2dmw h LEU 40 Ca 0.14 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2dmw h LEU 40 Cb 0.54 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2dmw h LEU 40 CO 0.03 -0.22 0.18 0.00 0.09 0.00 0.00 178.44 178.52 2dmw n ALA 41 N -2.75 0.78 -0.10 1.53 0.00 -0.92 -0.59 120.51 118.47 2dmw n ALA 41 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 2dmw n ALA 41 Cb 0.26 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 2dmw n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dmw n LYS 42 N -2.12 0.92 -1.99 0.00 5.02 0.12 -4.95 118.16 115.16 2dmw n LYS 42 Ca -0.01 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 2dmw n LYS 42 Cb 0.21 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.45 2.87 0.67 -0.18 1.01 0.74 -5.01 121.20 118.85 2dmw s ILE 43 Ca -0.13 0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.98 2dmw s ILE 43 Cb 0.06 -3.37 0.17 0.00 0.01 0.00 0.00 42.46 39.33 2dmw s ILE 43 CO 0.71 0.03 0.59 -0.81 0.00 0.00 0.00 174.94 175.47 2dmw n PRO 44 N 4.32 -2.18 -0.48 2.79 -0.04 -1.26 -4.88 135.00 133.26 2dmw n PRO 44 Ca 0.14 -0.95 0.06 0.00 -0.04 0.00 0.00 63.50 62.71 2dmw n PRO 44 Cb 0.40 -0.89 0.10 0.00 -0.04 0.00 0.00 33.50 33.07 2dmw n PRO 44 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmw n SER 45 N -4.02 1.39 -4.92 3.54 3.41 -1.26 -4.80 113.62 106.97 2dmw n SER 45 Ca 0.08 -2.80 -0.29 0.00 -0.26 0.00 0.00 58.87 55.61 2dmw n SER 45 Cb 0.32 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 2dmw n SER 45 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2dmw s GLU 46 N -1.76 3.40 -0.79 4.33 0.41 -1.26 -4.70 118.70 118.33 2dmw s GLU 46 Ca 0.24 -0.53 -0.25 0.00 -0.41 0.00 0.00 54.97 54.02 2dmw s GLU 46 Cb 0.23 -2.98 -0.15 0.00 -1.78 0.00 0.00 34.13 29.45 2dmw s GLU 46 CO -0.02 0.57 2.41 -1.71 -0.49 0.00 0.00 175.26 176.01 2dmw n ASN 47 N -0.06 1.67 -3.62 -0.19 2.85 -1.26 -4.75 115.26 109.89 2dmw n ASN 47 Ca -0.06 -1.40 -0.02 0.00 -0.11 0.00 0.00 54.58 52.99 2dmw n ASN 47 Cb 0.52 -1.60 -0.01 0.00 1.24 0.00 0.00 39.78 39.93 2dmw n ASN 47 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2dmw s ASN 48 N 10.43 -0.13 0.04 1.20 4.22 -1.26 -5.07 114.94 124.36 2dmw s ASN 48 Ca 0.95 -0.11 -0.04 0.00 -2.14 0.00 0.00 52.86 51.52 2dmw s ASN 48 Cb -0.17 0.22 -0.02 0.00 1.28 0.00 0.00 41.25 42.56 2dmw s ASN 48 CO 0.12 -0.39 0.06 -1.59 -2.04 0.00 0.00 177.10 173.26 2dmw s LYS 49 N -2.61 0.55 -0.12 3.55 -2.85 -1.26 -3.20 119.74 113.80 2dmw s LYS 49 Ca 0.11 -0.78 -0.17 0.00 -1.00 0.00 0.00 55.97 54.13 2dmw s LYS 49 Cb 0.01 0.21 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2dmw s LYS 49 CO -0.04 -0.13 0.44 -1.17 0.10 0.00 0.00 175.35 174.55 2dmw s LEU 50 N -2.12 0.31 -0.41 2.77 0.20 -1.26 -5.10 118.68 113.07 2dmw s LEU 50 Ca -0.05 0.70 -0.25 0.00 0.69 0.00 0.00 54.13 55.22 2dmw s LEU 50 Cb -0.01 1.59 0.02 0.00 -0.43 0.00 0.00 46.19 47.35 2dmw s LEU 50 CO -0.05 -0.27 0.91 -0.89 -0.29 0.00 0.00 176.35 175.77 2dmw s THR 51 N -0.27 4.54 -0.25 3.68 2.01 -1.26 -4.13 115.64 119.96 2dmw s THR 51 Ca -0.04 0.95 -0.09 0.00 0.31 0.00 0.00 61.69 62.81 2dmw s THR 51 Cb -0.03 -4.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2dmw s THR 51 CO 0.02 -0.67 0.13 -0.47 -0.69 0.00 0.00 174.62 172.94 2dmw s TYR 52 N 3.58 3.19 -0.50 4.92 6.14 -0.65 -5.01 117.35 129.02 2dmw s TYR 52 Ca 0.37 -0.06 -0.15 0.00 0.64 0.00 0.00 57.07 57.87 2dmw s TYR 52 Cb -0.11 -2.29 0.10 0.00 0.42 0.00 0.00 41.96 40.08 2dmw s TYR 52 CO 0.22 -0.17 0.44 -1.54 0.64 0.00 0.00 175.55 175.14 2dmw s SER 53 N 1.49 6.12 -0.18 4.32 1.04 -1.26 0.40 113.70 125.63 2dmw s SER 53 Ca 0.06 -1.59 -0.03 0.00 0.48 0.00 0.00 55.95 54.87 2dmw s SER 53 Cb -0.15 -2.18 -0.02 0.00 0.10 0.00 0.00 66.02 63.77 2dmw s SER 53 CO 0.07 -0.75 -0.05 -2.28 0.98 0.00 0.00 173.24 171.20 2dmw s HIS 54 N 1.60 2.96 0.00 5.02 2.46 -0.95 -4.98 115.29 121.39 2dmw s HIS 54 Ca 0.04 -0.60 0.00 0.00 0.47 0.00 0.00 55.06 54.97 2dmw s HIS 54 Cb -0.27 -2.00 0.00 0.00 -0.13 0.00 0.00 32.58 30.18 2dmw s HIS 54 CO 0.04 -0.27 0.00 0.41 -2.47 0.00 0.00 174.74 172.46 2dmw n GLY 55 N 4.03 0.89 1.66 1.59 0.00 -1.26 -1.46 105.19 110.64 2dmw n GLY 55 Ca -0.18 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.76 5.63 -3.66 1.61 4.13 -1.26 -4.79 115.26 113.16 2dmw n ASN 56 Ca 0.00 -2.59 -0.15 0.00 1.68 0.00 0.00 54.58 53.52 2dmw n ASN 56 Cb 0.00 -1.14 -0.08 0.00 -1.54 0.00 0.00 39.78 37.02 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 -0.39 -0.39 0.03 3.10 1.51 -0.54 -4.23 117.35 116.44 2dmw s TYR 57 Ca 0.14 0.66 -0.14 0.00 -1.01 0.00 0.00 57.07 56.72 2dmw s TYR 57 Cb 0.09 0.22 -0.06 0.00 -0.11 0.00 0.00 41.96 42.11 2dmw s TYR 57 CO -0.01 -0.47 0.42 -0.51 -1.11 0.00 0.00 175.55 173.87 2dmw s LEU 58 N -1.20 4.44 -0.45 -1.29 1.43 -0.00 -2.23 118.68 119.38 2dmw s LEU 58 Ca -0.12 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 2dmw s LEU 58 Cb -0.03 -2.71 0.12 0.00 0.03 0.00 0.00 46.19 43.60 2dmw s LEU 58 CO 0.06 0.28 0.19 -0.36 0.23 0.00 0.00 176.35 176.75 2dmw s PHE 59 N -1.17 3.27 -0.33 0.29 0.40 0.16 -2.39 117.98 118.21 2dmw s PHE 59 Ca 0.26 -3.05 -0.14 0.00 -0.60 0.00 0.00 56.93 53.41 2dmw s PHE 59 Cb -0.16 -2.78 -0.02 0.00 0.51 0.00 0.00 43.02 40.58 2dmw s PHE 59 CO 0.15 -0.81 0.30 -1.01 0.70 0.00 0.00 175.22 174.54 2dmw s HIS 60 N 0.17 3.22 0.04 0.36 3.76 -1.20 -1.64 115.29 120.00 2dmw s HIS 60 Ca 0.15 -0.07 0.09 0.00 -0.15 0.00 0.00 55.06 55.08 2dmw s HIS 60 Cb -0.23 -2.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 2dmw s HIS 60 CO -0.03 -0.37 -0.24 1.52 -0.85 0.00 0.00 174.74 174.76 2dmw s TYR 61 N 1.88 2.38 -0.00 1.40 -0.85 -1.26 -3.02 117.35 117.89 2dmw s TYR 61 Ca 0.09 -0.37 0.05 0.00 -0.52 0.00 0.00 57.07 56.32 2dmw s TYR 61 Cb -0.17 -1.41 -0.01 0.00 0.38 0.00 0.00 41.96 40.75 2dmw s TYR 61 CO 0.11 0.16 -0.16 0.42 -1.52 0.00 0.00 175.55 174.56 2dmw s ILE 62 N -0.84 1.25 -0.12 -3.49 1.01 -1.03 -4.01 121.20 113.96 2dmw s ILE 62 Ca 0.12 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 2dmw s ILE 62 Cb -0.10 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2dmw s ILE 62 CO 0.03 0.30 0.00 0.00 0.00 0.00 0.00 174.94 175.27 2dmw s GLN 64 N -0.33 0.33 -1.46 0.00 2.00 -0.83 -4.46 119.66 114.91 2dmw s GLN 64 Ca 0.07 0.60 -0.12 0.00 -2.00 0.00 0.00 55.36 53.91 2dmw s GLN 64 Cb -0.12 0.12 0.09 0.00 0.80 0.00 0.00 33.01 33.89 2dmw s GLN 64 CO 0.02 -0.07 0.71 -3.47 -0.50 0.00 0.00 175.29 171.98 2dmw n ASP 65 N 3.82 -4.21 -1.58 6.67 -0.08 -1.26 0.57 116.55 120.47 2dmw n ASP 65 Ca -0.17 -0.61 -0.16 0.00 -1.51 0.00 0.00 54.79 52.34 2dmw n ASP 65 Cb 0.57 -3.43 -0.03 0.00 2.34 0.00 0.00 41.12 40.57 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2dmw n ARG 66 N -4.17 -1.19 -4.24 -0.67 5.12 -1.26 -4.99 116.66 105.26 2dmw n ARG 66 Ca 0.01 0.86 -0.32 0.00 -1.93 0.00 0.00 57.85 56.47 2dmw n ARG 66 Cb 0.53 -5.16 -0.16 0.00 -1.16 0.00 0.00 32.46 26.51 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 -2.71 1.92 -0.22 0.55 -1.09 0.19 -4.17 121.20 115.67 2dmw s ILE 67 Ca 0.00 -0.86 -0.10 0.00 -2.23 0.00 0.00 60.65 57.45 2dmw s ILE 67 Cb 0.00 -1.74 -0.05 0.00 -1.58 0.00 0.00 42.46 39.09 2dmw s ILE 67 CO 0.00 0.52 0.15 -0.69 -1.23 0.00 0.00 174.94 173.69 2dmw s VAL 68 N 1.21 5.38 -0.41 2.92 1.01 0.16 -1.95 120.40 128.71 2dmw s VAL 68 Ca 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2dmw s VAL 68 Cb -0.14 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.87 2dmw s VAL 68 CO -0.09 0.39 0.20 -0.31 0.00 0.00 0.00 175.10 175.28 2dmw s TYR 69 N 0.76 3.60 0.05 5.22 1.51 -0.66 -0.92 117.35 126.92 2dmw s TYR 69 Ca 0.08 -2.51 0.00 0.00 -1.01 0.00 0.00 57.07 53.63 2dmw s TYR 69 Cb -0.12 -3.19 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 2dmw s TYR 69 CO 0.02 -0.96 0.18 -1.17 -1.11 0.00 0.00 175.55 172.51 2dmw s LEU 70 N 1.04 4.26 -0.16 -1.29 0.20 -1.18 -2.47 118.68 119.09 2dmw s LEU 70 Ca 0.09 0.23 -0.14 0.00 0.69 0.00 0.00 54.13 54.99 2dmw s LEU 70 Cb -0.22 -2.83 0.04 0.00 -0.43 0.00 0.00 46.19 42.75 2dmw s LEU 70 CO -0.05 0.18 0.42 0.00 -0.29 0.00 0.00 176.35 176.62 2dmw s ILE 72 N 0.29 4.96 0.29 0.00 1.01 -0.49 -3.26 121.20 124.00 2dmw s ILE 72 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2dmw s ILE 72 Cb -0.03 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2dmw s ILE 72 CO -0.00 0.44 0.22 0.42 0.00 0.00 0.00 174.94 176.02 2dmw s THR 73 N 0.50 0.03 0.09 2.92 -4.23 -1.01 -2.88 115.64 111.07 2dmw s THR 73 Ca 0.05 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 2dmw s THR 73 Cb -0.12 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.15 2dmw s THR 73 CO 0.00 0.00 0.60 -0.62 -0.54 0.00 0.00 174.62 174.07 2dmw s ASP 74 N -3.31 7.12 0.26 3.99 2.15 -1.26 -0.82 116.67 124.80 2dmw s ASP 74 Ca 0.40 1.33 -0.06 0.00 0.43 0.00 0.00 52.55 54.64 2dmw s ASP 74 Cb 0.04 -2.38 0.46 0.00 -0.30 0.00 0.00 42.92 40.74 2dmw s ASP 74 CO 0.22 0.26 1.46 -0.67 -0.17 0.00 0.00 175.17 176.26 2dmw n ASP 75 N 1.67 -0.31 -0.25 -0.34 2.03 -1.26 0.11 116.55 118.20 2dmw n ASP 75 Ca -0.09 1.60 0.06 0.00 0.52 0.00 0.00 54.79 56.88 2dmw n ASP 75 Cb 0.50 -0.50 0.19 0.00 -0.72 0.00 0.00 41.12 40.60 2dmw n ASP 75 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2dmw h ASP 76 N 0.00 0.01 -1.18 1.67 3.32 -1.95 -3.38 116.42 114.92 2dmw h ASP 76 Ca 0.46 0.15 -0.46 0.00 0.02 0.00 0.00 57.03 57.20 2dmw h ASP 76 Cb 0.74 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2dmw h ASP 76 CO -0.95 -0.05 1.65 0.33 -1.72 0.00 0.00 179.24 178.50 2dmw n PHE 77 N -5.16 1.20 -1.61 4.55 7.35 0.31 -4.83 117.46 119.26 2dmw n PHE 77 Ca 0.15 0.18 -0.56 0.00 -0.76 0.00 0.00 57.45 56.46 2dmw n PHE 77 Cb 0.48 -2.56 -0.07 0.00 0.35 0.00 0.00 39.48 37.68 2dmw n PHE 77 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2dmw n GLU 78 N 8.86 0.86 -0.33 -4.13 2.13 -1.26 -4.79 120.64 121.99 2dmw n GLU 78 Ca 0.45 0.31 0.23 0.00 0.66 0.00 0.00 57.16 58.81 2dmw n GLU 78 Cb 0.41 -1.93 0.46 0.00 0.27 0.00 0.00 31.44 30.65 2dmw n GLU 78 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 2dmw h ARG 79 N 4.91 0.25 -0.04 5.31 0.11 -1.88 -0.74 114.38 122.31 2dmw h ARG 79 Ca -0.48 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 59.61 2dmw h ARG 79 Cb 1.35 -0.06 -0.05 0.00 1.11 0.00 0.00 29.97 32.32 2dmw h ARG 79 CO 0.81 0.16 -0.48 0.77 0.10 0.00 0.00 179.97 181.33 2dmw h SER 80 N 0.26 -1.50 -0.74 0.08 0.02 -1.99 -0.25 113.55 109.42 2dmw h SER 80 Ca 0.72 0.17 0.16 0.00 -0.84 0.00 0.00 61.79 62.00 2dmw h SER 80 Cb 1.66 0.57 -0.14 0.00 0.14 0.00 0.00 62.40 64.64 2dmw h SER 80 CO -0.65 -0.46 -0.10 0.03 -1.14 0.00 0.00 176.83 174.52 2dmw h ARG 81 N -0.57 0.04 -0.38 3.45 3.08 -1.48 0.13 114.38 118.64 2dmw h ARG 81 Ca 0.02 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2dmw h ARG 81 Cb 0.63 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2dmw h ARG 81 CO -0.34 0.03 0.14 0.00 -1.07 0.00 0.00 179.97 178.72 2dmw h ALA 82 N 1.72 0.45 -0.89 0.04 0.00 -1.20 -1.97 119.26 117.41 2dmw h ALA 82 Ca 0.38 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2dmw h ALA 82 Cb 0.62 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2dmw h ALA 82 CO -0.72 -0.25 0.54 0.74 0.00 0.00 0.00 179.25 179.56 2dmw h PHE 83 N 0.30 1.17 0.58 0.00 0.04 0.90 -1.95 116.94 117.98 2dmw h PHE 83 Ca 0.18 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 2dmw h PHE 83 Cb 0.15 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 2dmw h PHE 83 CO -0.14 0.77 -0.44 -0.97 -0.60 0.00 0.00 178.31 176.93 2dmw h ASN 84 N 1.23 -1.15 -0.12 2.17 -0.00 -0.23 -0.36 115.58 117.13 2dmw h ASN 84 Ca 0.32 0.08 0.04 0.00 -0.00 0.00 0.00 56.30 56.74 2dmw h ASN 84 Cb -0.06 0.36 -0.05 0.00 -0.00 0.00 0.00 38.32 38.57 2dmw h ASN 84 CO -0.06 -0.64 -0.16 0.15 -0.00 0.00 0.00 177.43 176.72 2dmw h PHE 85 N -0.99 -0.41 -0.74 0.67 3.04 -1.31 -1.77 116.94 115.43 2dmw h PHE 85 Ca -0.07 0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.04 2dmw h PHE 85 Cb 0.83 0.20 -0.10 0.00 2.56 0.00 0.00 35.95 39.45 2dmw h PHE 85 CO -0.16 -0.23 0.27 -0.07 -2.02 0.00 0.00 178.31 176.10 2dmw h LEU 86 N -0.21 0.23 -0.96 0.59 3.38 -1.23 0.16 115.31 117.27 2dmw h LEU 86 Ca 0.09 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2dmw h LEU 86 Cb 0.34 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2dmw h LEU 86 CO -0.24 0.08 0.64 0.78 0.09 0.00 0.00 178.44 179.79 2dmw h ASN 87 N 0.41 1.10 0.65 -0.43 2.35 -0.31 0.47 115.58 119.82 2dmw h ASN 87 Ca 0.41 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.10 2dmw h ASN 87 Cb 0.62 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2dmw h ASN 87 CO -0.41 0.80 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.48 2dmw h GLU 88 N 1.30 -0.89 -0.27 0.81 5.08 -0.17 0.13 114.58 120.58 2dmw h GLU 88 Ca 0.35 0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2dmw h GLU 88 Cb -0.15 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2dmw h GLU 88 CO -0.08 -0.60 -0.01 -0.84 -1.00 0.00 0.00 179.01 176.48 2dmw h ILE 89 N -0.93 1.17 0.02 3.13 3.07 -1.35 -1.91 117.51 120.72 2dmw h ILE 89 Ca -0.09 -0.68 -0.00 0.00 1.55 0.00 0.00 64.86 65.64 2dmw h ILE 89 Cb 0.73 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 2dmw h ILE 89 CO 0.11 0.23 -0.01 0.50 -1.05 0.00 0.00 178.15 177.93 2dmw h LYS 90 N 0.39 -0.03 -0.10 0.16 3.64 0.12 0.13 116.57 120.87 2dmw h LYS 90 Ca 0.09 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2dmw h LYS 90 Cb 0.28 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dmw h LYS 90 CO 0.01 0.01 -0.29 0.87 -2.27 0.00 0.00 179.45 177.78 2dmw h LYS 91 N -0.06 0.19 -0.13 1.90 1.79 -0.75 -1.30 116.57 118.20 2dmw h LYS 91 Ca -0.00 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 2dmw h LYS 91 Cb 0.06 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2dmw h LYS 91 CO 0.01 0.47 -0.15 0.00 -1.08 0.00 0.00 179.45 178.69 2dmw h ARG 92 N 0.17 0.34 -0.25 3.15 3.08 -0.96 -0.30 114.38 119.61 2dmw h ARG 92 Ca 0.03 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 2dmw h ARG 92 Cb 0.60 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2dmw h ARG 92 CO 0.04 0.74 0.03 0.35 -1.07 0.00 0.00 179.97 180.07 2dmw h PHE 93 N -0.05 0.44 -0.02 3.04 3.04 -0.62 0.89 116.94 123.66 2dmw h PHE 93 Ca 0.02 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 2dmw h PHE 93 Cb 0.69 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 2dmw h PHE 93 CO 0.09 0.54 -0.34 -0.56 -2.02 0.00 0.00 178.31 176.02 2dmw h GLN 94 N 0.22 0.04 0.00 1.11 3.07 -1.29 1.16 115.11 119.41 2dmw h GLN 94 Ca 0.07 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.74 2dmw h GLN 94 Cb 0.34 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 2dmw h GLN 94 CO 0.01 0.37 -1.02 1.15 0.09 0.00 0.00 178.83 179.43 2dmw h THR 95 N 0.03 0.22 0.00 1.86 2.02 -0.81 -3.05 112.91 113.18 2dmw h THR 95 Ca 0.00 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.78 2dmw h THR 95 Cb 0.62 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2dmw h THR 95 CO 0.05 0.13 -0.33 0.41 0.37 0.00 0.00 175.52 176.14 2dmw n THR 96 N -2.82 0.50 -1.63 3.16 -1.04 0.31 -4.73 114.28 108.02 2dmw n THR 96 Ca -0.03 0.38 -0.17 0.00 -2.04 0.00 0.00 64.05 62.19 2dmw n THR 96 Cb 0.66 -1.79 0.11 0.00 -1.82 0.00 0.00 70.33 67.49 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 -3.16 2.08 0.04 -1.42 4.01 0.29 -4.76 117.16 114.24 2dmw n TYR 97 Ca -0.05 -2.10 -0.02 0.00 -0.16 0.00 0.00 57.90 55.57 2dmw n TYR 97 Cb 0.17 -0.63 -0.01 0.00 -0.31 0.00 0.00 39.34 38.56 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 1.60 -0.17 0.04 2.72 0.00 0.10 -2.46 103.07 104.90 2dmw h GLY 98 Ca 0.35 0.06 0.14 0.00 0.00 0.00 0.00 47.33 47.88 2dmw h GLY 98 CO 0.75 -0.06 0.16 1.76 0.00 0.00 0.00 176.54 179.15 2dmw h SER 99 N -0.67 0.01 -0.18 0.19 0.02 -1.86 0.16 113.55 111.22 2dmw h SER 99 Ca -0.02 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2dmw h SER 99 Cb 0.12 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2dmw h SER 99 CO 0.03 -0.01 -0.01 0.03 -1.14 0.00 0.00 176.83 175.73 2dmw h ARG 100 N 0.27 0.44 0.00 3.45 3.08 -1.89 -1.97 114.38 117.76 2dmw h ARG 100 Ca 0.37 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2dmw h ARG 100 Cb 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2dmw h ARG 100 CO -0.46 0.47 0.20 0.00 -1.07 0.00 0.00 179.97 179.11 2dmw n ALA 101 N -2.48 0.76 -0.01 0.04 0.00 0.56 0.55 120.51 119.93 2dmw n ALA 101 Ca 0.01 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 2dmw n ALA 101 Cb 0.23 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.09 0.67 -0.04 0.00 1.13 -0.74 -4.70 117.38 111.61 2dmw n GLN 102 Ca -0.01 0.29 -0.04 0.00 -1.94 0.00 0.00 57.00 55.30 2dmw n GLN 102 Cb 0.22 -1.77 -0.01 0.00 0.11 0.00 0.00 30.24 28.79 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 -3.18 0.78 -0.98 5.09 -2.24 0.90 -5.01 114.28 109.64 2dmw n THR 103 Ca -0.21 0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 2dmw n THR 103 Cb 1.05 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.41 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 -3.47 -2.36 -1.16 6.98 0.00 0.19 -4.90 120.51 115.79 2dmw n ALA 104 Ca -0.06 0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 2dmw n ALA 104 Cb 0.24 -1.13 0.18 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.71 0.39 0.40 0.00 0.04 -1.26 -4.81 135.00 129.04 2dmw s PRO 105 Ca 0.45 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 2dmw s PRO 105 Cb -0.63 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 2dmw s PRO 105 CO 0.40 -2.76 1.19 -1.25 0.04 0.00 0.00 177.00 174.62 2dmw s PRO 106 N -4.96 4.05 -1.34 0.56 0.04 -1.26 -3.36 135.00 128.73 2dmw s PRO 106 Ca 0.65 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 63.50 2dmw s PRO 106 Cb -0.19 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.67 2dmw s PRO 106 CO 0.58 -0.34 1.17 0.66 0.04 0.00 0.00 177.00 179.10 2dmw n TYR 107 N 0.09 -2.83 -0.13 0.56 4.01 -1.03 -4.93 117.16 112.91 2dmw n TYR 107 Ca 0.04 1.00 -0.27 0.00 -0.16 0.00 0.00 57.90 58.51 2dmw n TYR 107 Cb 0.46 -5.01 -0.10 0.00 -0.31 0.00 0.00 39.34 34.38 2dmw n TYR 107 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dmw n ALA 108 N -4.94 1.12 -1.54 -0.72 0.00 -1.21 -4.55 120.51 108.66 2dmw n ALA 108 Ca -0.01 -1.01 -0.34 0.00 0.00 0.00 0.00 53.44 52.07 2dmw n ALA 108 Cb 0.57 0.05 0.06 0.00 0.00 0.00 0.00 19.45 20.13 2dmw n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmw n MET 109 N -4.29 2.82 0.09 0.00 0.00 -1.26 -4.54 117.12 109.94 2dmw n MET 109 Ca -0.49 -3.46 -0.15 0.00 0.00 0.00 0.00 57.70 53.60 2dmw n MET 109 Cb 0.83 -2.28 -0.14 0.00 0.00 0.00 0.00 33.22 31.63 2dmw n MET 109 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 2dmw h ASN 110 N 2.22 0.38 0.32 3.17 -1.07 -1.80 -3.08 115.58 115.72 2dmw h ASN 110 Ca 0.57 -0.43 -0.02 0.00 0.07 0.00 0.00 56.30 56.49 2dmw h ASN 110 Cb 0.75 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 2dmw h ASN 110 CO 1.46 1.34 -0.15 0.28 0.07 0.00 0.00 177.43 180.43 2dmw h SER 111 N 0.07 -0.36 -0.27 6.14 0.02 -1.93 0.56 113.55 117.77 2dmw h SER 111 Ca -0.14 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2dmw h SER 111 Cb 1.96 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 64.52 2dmw h SER 111 CO 0.19 -0.22 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.00 2dmw h GLU 112 N -0.50 -0.32 -0.10 3.45 4.39 -1.91 -1.98 114.58 117.61 2dmw h GLU 112 Ca -0.04 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dmw h GLU 112 Cb 0.33 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2dmw h GLU 112 CO 0.07 -0.21 0.04 0.35 -1.16 0.00 0.00 179.01 178.10 2dmw h PHE 113 N -0.33 0.08 -0.91 4.33 3.57 -1.61 -2.35 116.94 119.71 2dmw h PHE 113 Ca 0.13 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.82 2dmw h PHE 113 Cb 0.55 -0.02 -0.17 0.00 2.79 0.00 0.00 35.95 39.10 2dmw h PHE 113 CO -0.49 0.04 -0.21 1.03 -2.23 0.00 0.00 178.31 176.45 2dmw h SER 114 N 0.10 -0.83 -0.24 0.41 0.87 0.85 0.33 113.55 115.04 2dmw h SER 114 Ca 0.04 0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 2dmw h SER 114 Cb 0.01 0.56 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2dmw h SER 114 CO -0.03 -0.30 0.02 0.28 -0.53 0.00 0.00 176.83 176.27 2dmw h SER 115 N 0.00 0.40 0.32 6.23 0.02 -1.15 -2.40 113.55 116.97 2dmw h SER 115 Ca 0.44 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2dmw h SER 115 Cb 0.69 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 2dmw h SER 115 CO -0.93 0.59 -0.36 0.58 -1.14 0.00 0.00 176.83 175.56 2dmw h VAL 116 N 0.21 0.25 -0.31 2.27 2.07 -0.02 -2.26 116.25 118.47 2dmw h VAL 116 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2dmw h VAL 116 Cb 0.37 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 2dmw h VAL 116 CO 0.01 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 177.32 2dmw h LEU 117 N -0.72 -0.68 -0.61 2.57 3.38 -0.55 -1.75 115.31 116.94 2dmw h LEU 117 Ca -0.02 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.21 2dmw h LEU 117 Cb 0.67 0.35 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 2dmw h LEU 117 CO -0.09 -0.24 -0.23 0.00 0.09 0.00 0.00 178.44 177.97 2dmw h ALA 118 N 0.98 0.24 -1.00 1.53 0.00 -1.20 0.22 119.26 120.04 2dmw h ALA 118 Ca 0.16 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2dmw h ALA 118 Cb 0.42 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2dmw h ALA 118 CO -0.41 -0.52 0.64 0.00 0.00 0.00 0.00 179.25 178.96 2dmw h ALA 119 N 1.39 1.40 -0.13 0.00 0.00 -0.75 -0.75 119.26 120.41 2dmw h ALA 119 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dmw h ALA 119 Cb 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2dmw h ALA 119 CO -0.66 0.40 0.03 1.96 0.00 0.00 0.00 179.25 180.98 2dmw h GLN 120 N 1.14 0.22 0.76 0.00 1.08 0.04 -1.19 115.11 117.15 2dmw h GLN 120 Ca 0.44 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.55 2dmw h GLN 120 Cb 0.21 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2dmw h GLN 120 CO -0.19 0.38 -0.38 -0.07 -0.95 0.00 0.00 178.83 177.62 2dmw h LEU 121 N 0.02 -0.90 -0.79 1.46 3.38 -0.44 -1.19 115.31 116.84 2dmw h LEU 121 Ca 0.04 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.22 2dmw h LEU 121 Cb 0.26 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 2dmw h LEU 121 CO 0.00 -0.63 0.26 0.11 0.09 0.00 0.00 178.44 178.27 2dmw h LYS 122 N -1.04 0.32 0.22 1.13 1.57 -1.22 0.52 116.57 118.07 2dmw h LYS 122 Ca -0.10 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2dmw h LYS 122 Cb 0.80 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2dmw h LYS 122 CO 0.16 0.21 -0.24 1.25 -0.57 0.00 0.00 179.45 180.27 2dmw h HIS 123 N 0.33 -0.65 0.28 -1.35 2.76 -1.07 0.85 115.15 116.31 2dmw h HIS 123 Ca 0.46 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.63 2dmw h HIS 123 Cb 0.81 0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2dmw h HIS 123 CO -0.21 -0.36 -0.13 0.45 -1.30 0.00 0.00 177.93 176.38 2dmw h HIS 124 N -0.50 -0.35 -0.65 5.26 3.86 -0.07 -3.29 115.15 119.41 2dmw h HIS 124 Ca 0.00 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 2dmw h HIS 124 Cb 0.48 0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.96 2dmw h HIS 124 CO -0.18 -0.22 0.07 0.66 0.86 0.00 0.00 177.93 179.13 2dmw h SER 125 N -0.53 -0.14 -5.48 2.45 4.64 -0.07 -3.46 113.55 110.95 2dmw h SER 125 Ca -0.04 0.14 -0.33 0.00 -0.47 0.00 0.00 61.79 61.09 2dmw h SER 125 Cb 0.29 0.23 0.15 0.00 -0.31 0.00 0.00 62.40 62.76 2dmw h SER 125 CO 0.06 -0.07 -0.70 -0.24 -0.87 0.00 0.00 176.83 175.01 2dmw n SER 126 N -5.22 -3.43 -0.26 4.97 2.88 0.29 -4.62 113.62 108.24 2dmw n SER 126 Ca 0.10 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 2dmw n SER 126 Cb 0.38 -4.83 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 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 -1.40 -0.51 3.77 0.46 0.00 -1.26 -4.99 105.19 101.27 2dmw n GLY 127 Ca -0.18 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.08 3.02 -0.08 1.61 0.04 -1.26 -4.96 135.00 133.28 2dmw s PRO 128 Ca 0.00 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 2dmw s PRO 128 Cb 0.00 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2dmw s PRO 128 CO 0.00 -1.09 0.22 -1.12 0.04 0.00 0.00 177.00 175.05 2dmw s SER 129 N -2.28 -0.23 -0.02 6.66 0.01 -1.26 -5.05 113.70 111.53 2dmw s SER 129 Ca 0.69 0.44 -0.20 0.00 1.31 0.00 0.00 55.95 58.19 2dmw s SER 129 Cb -0.22 0.42 -0.30 0.00 0.21 0.00 0.00 66.02 66.13 2dmw s SER 129 CO 0.36 -0.10 0.97 0.77 0.41 0.00 0.00 173.24 175.65 2dmw h SER 130 N 6.18 0.55 -0.00 2.44 4.64 -1.97 -3.46 113.55 121.92 2dmw h SER 130 Ca -0.30 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.13 2dmw h SER 130 Cb 1.18 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2dmw h SER 130 CO 0.38 1.40 0.00 0.61 -0.87 0.00 0.00 176.83 178.34