#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmw n SER 2 N 0.00 -0.69 -4.02 1.61 3.41 -1.26 -4.84 113.62 107.83 2dmw n SER 2 Ca 0.00 -0.96 -0.33 0.00 -0.26 0.00 0.00 58.87 57.32 2dmw n SER 2 Cb 0.00 -1.21 -0.11 0.00 -0.26 0.00 0.00 64.21 62.63 2dmw n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmw s SER 3 N -3.15 5.01 0.05 4.04 1.04 -1.26 -5.08 113.70 114.35 2dmw s SER 3 Ca 0.43 -3.21 0.03 0.00 0.48 0.00 0.00 55.95 53.68 2dmw s SER 3 Cb -0.25 -1.76 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 2dmw s SER 3 CO 0.78 -0.25 0.01 -0.83 0.98 0.00 0.00 173.24 173.92 2dmw s GLY 4 N -0.10 1.92 -0.19 7.32 0.00 -1.26 -5.11 107.32 109.89 2dmw s GLY 4 Ca 0.20 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 2dmw s GLY 4 CO -0.06 -0.98 -0.07 -0.45 0.00 0.00 0.00 173.10 171.54 2dmw s SER 5 N -2.03 4.19 -0.14 1.64 0.15 -1.26 -5.09 113.70 111.17 2dmw s SER 5 Ca 0.24 -0.37 -0.29 0.00 0.70 0.00 0.00 55.95 56.23 2dmw s SER 5 Cb -0.12 -1.69 0.09 0.00 -1.71 0.00 0.00 66.02 62.59 2dmw s SER 5 CO 0.16 0.04 0.79 -0.94 1.20 0.00 0.00 173.24 174.49 2dmw s SER 6 N 1.10 -0.59 0.00 5.45 1.04 -1.26 -5.09 113.70 114.34 2dmw s SER 6 Ca 0.01 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2dmw s SER 6 Cb -0.15 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2dmw s SER 6 CO -0.01 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2dmw n GLY 7 N 1.34 -2.40 3.74 7.32 0.00 -1.26 -5.13 105.19 108.79 2dmw n GLY 7 Ca -0.15 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.22 4.67 0.34 1.61 1.00 -1.26 -4.91 119.30 120.52 2dmw s MET 8 Ca 0.00 1.34 0.07 0.00 0.00 0.00 0.00 55.69 57.10 2dmw s MET 8 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 34.83 31.46 2dmw s MET 8 CO 0.00 0.32 0.30 0.00 0.00 0.00 0.00 175.02 175.64 2dmw s ALA 9 N -0.33 1.82 0.31 3.03 0.00 -1.26 -4.69 121.76 120.65 2dmw s ALA 9 Ca 0.43 -2.06 -0.24 0.00 0.00 0.00 0.00 51.96 50.08 2dmw s ALA 9 Cb -0.23 1.46 -0.16 0.00 0.00 0.00 0.00 23.12 24.19 2dmw s ALA 9 CO 0.28 -0.68 0.33 -0.89 0.00 0.00 0.00 175.76 174.80 2dmw n ILE 10 N -0.64 1.34 0.00 0.00 5.41 -1.26 -4.73 119.36 119.48 2dmw n ILE 10 Ca 0.07 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.32 2dmw n ILE 10 Cb 0.62 -0.05 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 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 2.10 0.54 -4.60 1.39 4.77 -1.08 -5.01 117.00 115.12 2dmw n LEU 11 Ca 0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 2dmw n LEU 11 Cb 0.33 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 2dmw n LEU 11 CO 0.55 -0.08 -0.31 0.12 -1.33 0.00 0.00 177.39 176.35 2dmw s PHE 12 N -1.75 3.13 -0.30 -1.77 2.19 -1.16 -3.18 117.98 115.15 2dmw s PHE 12 Ca 0.00 -0.03 -0.04 0.00 0.33 0.00 0.00 56.93 57.19 2dmw s PHE 12 Cb 0.00 -1.92 0.17 0.00 -1.31 0.00 0.00 43.02 39.96 2dmw s PHE 12 CO 0.00 0.20 0.65 0.00 1.83 0.00 0.00 175.22 177.89 2dmw s ALA 13 N -0.10 -2.28 0.07 11.12 0.00 -1.25 -1.01 121.76 128.31 2dmw s ALA 13 Ca 0.04 1.97 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2dmw s ALA 13 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2dmw s ALA 13 CO 0.02 -1.22 -0.05 0.14 0.00 0.00 0.00 175.76 174.65 2dmw s VAL 14 N 2.86 0.41 -0.21 0.00 -7.23 -1.00 -3.74 120.40 111.49 2dmw s VAL 14 Ca 0.12 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2dmw s VAL 14 Cb -0.14 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.34 2dmw s VAL 14 CO -0.20 -0.89 -0.08 -0.69 -0.31 0.00 0.00 175.10 172.93 2dmw s VAL 15 N -3.54 3.06 -0.02 1.32 1.01 -0.81 -2.94 120.40 118.48 2dmw s VAL 15 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2dmw s VAL 15 Cb 0.05 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 34.07 2dmw s VAL 15 CO -0.07 0.43 0.03 0.00 0.00 0.00 0.00 175.10 175.49 2dmw s ALA 16 N 1.43 0.07 -0.81 5.51 0.00 -0.76 -2.00 121.76 125.21 2dmw s ALA 16 Ca 0.05 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 2dmw s ALA 16 Cb -0.14 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2dmw s ALA 16 CO -0.05 -0.10 1.21 1.03 0.00 0.00 0.00 175.76 177.85 2dmw s ARG 17 N 0.95 3.32 0.00 0.00 0.52 0.37 -2.68 118.95 121.43 2dmw s ARG 17 Ca -0.08 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 2dmw s ARG 17 Cb -0.11 -4.57 0.00 0.00 0.52 0.00 0.00 34.95 30.79 2dmw s ARG 17 CO -0.03 -2.02 0.00 0.41 0.02 0.00 0.00 175.30 173.68 2dmw n GLY 18 N 5.73 0.78 0.00 -3.53 0.00 -1.26 -1.17 105.19 105.74 2dmw n GLY 18 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.25 -3.98 2.61 -2.24 -1.26 -3.87 114.28 105.78 2dmw n THR 19 Ca 0.00 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 2dmw n THR 19 Cb 0.00 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.25 3.23 -0.24 4.28 2.01 -0.32 -5.03 115.64 119.32 2dmw s THR 20 Ca 0.00 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 2dmw s THR 20 Cb 0.00 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2dmw s THR 20 CO 0.00 0.44 0.49 -0.63 -0.69 0.00 0.00 174.62 174.23 2dmw s ILE 21 N 1.38 5.10 -0.15 1.82 1.01 -1.26 0.14 121.20 129.24 2dmw s ILE 21 Ca 0.05 0.85 -0.11 0.00 0.00 0.00 0.00 60.65 61.43 2dmw s ILE 21 Cb -0.14 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2dmw s ILE 21 CO -0.04 0.13 -0.19 0.18 0.00 0.00 0.00 174.94 175.02 2dmw n LEU 22 N 5.22 1.83 -3.82 2.97 4.77 -0.84 -3.01 117.00 124.11 2dmw n LEU 22 Ca -0.05 0.58 -0.22 0.00 -0.03 0.00 0.00 56.01 56.29 2dmw n LEU 22 Cb 0.50 -0.86 -0.17 0.00 -2.33 0.00 0.00 43.42 40.57 2dmw n LEU 22 CO 0.40 -0.41 -0.39 0.00 -1.33 0.00 0.00 177.39 175.65 2dmw s ALA 23 N -2.75 0.72 -0.04 -1.18 0.00 -1.21 -2.26 121.76 115.05 2dmw s ALA 23 Ca -0.18 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 51.73 2dmw s ALA 23 Cb 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2dmw s ALA 23 CO 0.26 -0.29 -0.22 -1.59 0.00 0.00 0.00 175.76 173.92 2dmw s LYS 24 N 1.56 2.05 -0.27 0.00 -2.85 -1.26 -1.93 119.74 117.03 2dmw s LYS 24 Ca -0.01 -0.80 -0.01 0.00 -1.00 0.00 0.00 55.97 54.15 2dmw s LYS 24 Cb -0.13 -1.85 0.16 0.00 -2.06 0.00 0.00 37.83 33.96 2dmw s LYS 24 CO -0.04 0.40 0.50 -1.58 0.10 0.00 0.00 175.35 174.73 2dmw s HIS 25 N -0.29 -1.26 0.17 1.78 2.46 -1.25 -4.85 115.29 112.05 2dmw s HIS 25 Ca 0.02 1.27 0.04 0.00 0.47 0.00 0.00 55.06 56.87 2dmw s HIS 25 Cb -0.11 0.30 -0.05 0.00 -0.13 0.00 0.00 32.58 32.60 2dmw s HIS 25 CO 0.01 -0.82 -0.08 0.00 -2.47 0.00 0.00 174.74 171.38 2dmw s ALA 26 N 2.71 1.57 0.62 1.58 0.00 -1.26 -3.95 121.76 123.04 2dmw s ALA 26 Ca 0.17 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.40 2dmw s ALA 26 Cb -0.15 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2dmw s ALA 26 CO -0.19 -0.13 1.08 -1.58 0.00 0.00 0.00 175.76 174.94 2dmw s TRP 27 N -3.33 2.86 -0.26 0.00 0.52 -1.19 -4.97 118.94 112.57 2dmw s TRP 27 Ca 0.20 1.52 -0.29 0.00 0.02 0.00 0.00 56.10 57.55 2dmw s TRP 27 Cb 0.03 -3.06 -0.00 0.00 -1.15 0.00 0.00 33.47 29.29 2dmw s TRP 27 CO 0.03 -1.33 1.28 0.00 0.02 0.00 0.00 176.95 176.95 2dmw n GLY 29 N 4.07 -1.97 2.80 0.00 0.00 -1.26 -5.17 105.19 103.65 2dmw n GLY 29 Ca 0.14 0.57 -0.19 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.20 3.21 3.50 -0.02 0.00 -1.26 -5.10 105.19 104.31 2dmw n GLY 30 Ca 0.00 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 2dmw n GLY 30 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dmw s ASN 31 N -3.06 6.26 -0.20 1.61 3.84 -1.26 -4.82 114.94 117.31 2dmw s ASN 31 Ca 0.26 -0.62 0.02 0.00 0.21 0.00 0.00 52.86 52.73 2dmw s ASN 31 Cb 0.01 -2.43 -0.14 0.00 -0.55 0.00 0.00 41.25 38.14 2dmw s ASN 31 CO 0.19 -1.35 -0.17 0.49 -2.79 0.00 0.00 177.10 173.47 2dmw n PHE 32 N 7.66 0.00 -0.08 0.43 3.72 -1.26 -4.43 117.46 123.51 2dmw n PHE 32 Ca -0.01 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.62 2dmw n PHE 32 Cb 0.47 -0.78 0.44 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.35 4.37 5.85 -1.99 0.79 115.31 124.67 2dmw h LEU 33 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2dmw h LEU 33 Cb 1.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.75 2dmw h LEU 33 CO -0.07 0.00 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.54 2dmw h GLU 34 N 0.00 -0.45 -0.96 1.25 5.08 -1.99 -2.24 114.58 115.27 2dmw h GLU 34 Ca 0.37 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.80 2dmw h GLU 34 Cb 2.44 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 31.74 2dmw h GLU 34 CO -0.00 -0.30 0.63 -0.24 -1.00 0.00 0.00 179.01 178.10 2dmw h VAL 35 N -0.81 1.15 0.63 3.13 3.04 -1.16 -2.33 116.25 119.90 2dmw h VAL 35 Ca -0.05 -0.41 -0.02 0.00 -1.01 0.00 0.00 66.70 65.21 2dmw h VAL 35 Cb 0.36 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.48 2dmw h VAL 35 CO 0.08 0.22 -0.41 0.74 -1.01 0.00 0.00 177.57 177.19 2dmw h THR 36 N 1.19 0.18 -0.28 3.17 2.02 -1.26 -1.89 112.91 116.04 2dmw h THR 36 Ca 0.39 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.64 2dmw h THR 36 Cb 0.05 0.18 -0.07 0.00 -1.74 0.00 0.00 68.15 66.56 2dmw h THR 36 CO -0.13 0.00 -0.23 -0.33 0.37 0.00 0.00 175.52 175.20 2dmw h GLU 37 N -0.99 -0.21 -0.88 6.66 5.08 -1.21 0.16 114.58 123.21 2dmw h GLU 37 Ca -0.08 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.49 2dmw h GLU 37 Cb 0.80 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.99 2dmw h GLU 37 CO 0.07 -0.14 0.41 1.96 -1.00 0.00 0.00 179.01 180.31 2dmw h GLN 38 N -0.22 0.48 -0.25 2.33 1.08 -1.31 0.58 115.11 117.81 2dmw h GLN 38 Ca 0.15 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 57.15 2dmw h GLN 38 Cb 0.45 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2dmw h GLN 38 CO -0.41 0.31 -0.55 0.82 -0.95 0.00 0.00 178.83 178.06 2dmw h ILE 39 N 0.49 1.29 -0.66 2.54 1.08 -0.32 -3.19 117.51 118.74 2dmw h ILE 39 Ca 0.52 -1.76 0.10 0.00 -0.39 0.00 0.00 64.86 63.33 2dmw h ILE 39 Cb 0.90 1.69 -0.08 0.00 -3.07 0.00 0.00 36.82 36.26 2dmw h ILE 39 CO -0.46 0.56 0.27 -0.07 -0.69 0.00 0.00 178.15 177.77 2dmw h LEU 40 N 0.57 0.30 0.00 1.44 3.38 0.15 0.52 115.31 121.67 2dmw h LEU 40 Ca 0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2dmw h LEU 40 Cb 1.13 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2dmw h LEU 40 CO 0.11 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.81 2dmw n ALA 41 N -2.46 1.46 -0.05 1.53 0.00 -0.82 -1.94 120.51 118.23 2dmw n ALA 41 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 2dmw n ALA 41 Cb 0.30 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.33 2.45 -2.02 0.00 5.02 0.14 -4.99 118.16 117.44 2dmw n LYS 42 Ca 0.03 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2dmw n LYS 42 Cb 0.06 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.22 3.22 0.88 -0.18 1.01 0.91 -4.99 121.20 119.82 2dmw s ILE 43 Ca -0.05 0.68 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 2dmw s ILE 43 Cb 0.03 -3.44 0.12 0.00 0.01 0.00 0.00 42.46 39.18 2dmw s ILE 43 CO 0.38 0.00 1.09 -2.16 0.00 0.00 0.00 174.94 174.25 2dmw s PRO 44 N 2.41 1.38 -0.34 2.79 0.04 -1.26 -4.83 135.00 135.19 2dmw s PRO 44 Ca 0.70 0.86 0.07 0.00 0.04 0.00 0.00 61.00 62.67 2dmw s PRO 44 Cb -0.37 -1.82 0.48 0.00 0.04 0.00 0.00 34.50 32.83 2dmw s PRO 44 CO 0.30 -2.17 1.46 0.43 0.04 0.00 0.00 177.00 177.06 2dmw n SER 45 N -3.84 3.79 -4.55 6.66 7.64 -1.26 -4.92 113.62 117.14 2dmw n SER 45 Ca 0.07 -3.79 -0.32 0.00 1.01 0.00 0.00 58.87 55.84 2dmw n SER 45 Cb 0.55 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 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 -3.43 2.41 -0.84 1.43 8.01 -1.26 -4.78 118.70 120.24 2dmw s GLU 46 Ca 0.49 -0.80 -0.16 0.00 0.01 0.00 0.00 54.97 54.50 2dmw s GLU 46 Cb 0.42 -2.41 -0.22 0.00 -4.31 0.00 0.00 34.13 27.61 2dmw s GLU 46 CO 0.00 0.58 2.16 0.09 0.01 0.00 0.00 175.26 178.11 2dmw n ASN 47 N 1.56 0.02 -3.61 -0.19 3.02 -1.26 -4.73 115.26 110.07 2dmw n ASN 47 Ca -0.16 -1.15 -0.06 0.00 -0.03 0.00 0.00 54.58 53.19 2dmw n ASN 47 Cb 0.52 -1.09 -0.04 0.00 -0.61 0.00 0.00 39.78 38.57 2dmw n ASN 47 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2dmw s ASN 48 N 5.05 -0.19 0.21 6.41 2.47 -1.26 -5.08 114.94 122.55 2dmw s ASN 48 Ca 1.02 0.18 0.09 0.00 0.42 0.00 0.00 52.86 54.56 2dmw s ASN 48 Cb -0.43 0.16 -0.05 0.00 -1.45 0.00 0.00 41.25 39.49 2dmw s ASN 48 CO 0.30 -0.20 -0.17 -1.59 -3.72 0.00 0.00 177.10 171.72 2dmw s LYS 49 N -1.30 1.38 -0.11 0.43 -2.85 -1.26 -3.78 119.74 112.26 2dmw s LYS 49 Ca 0.05 -1.57 -0.20 0.00 -1.00 0.00 0.00 55.97 53.24 2dmw s LYS 49 Cb -0.01 -1.31 0.05 0.00 -2.06 0.00 0.00 37.83 34.50 2dmw s LYS 49 CO -0.04 0.24 0.50 -1.17 0.10 0.00 0.00 175.35 174.98 2dmw s LEU 50 N -3.15 0.08 -0.38 2.77 0.20 -1.26 -5.09 118.68 111.85 2dmw s LEU 50 Ca 0.22 0.68 -0.19 0.00 0.69 0.00 0.00 54.13 55.53 2dmw s LEU 50 Cb -0.03 1.83 0.01 0.00 -0.43 0.00 0.00 46.19 47.57 2dmw s LEU 50 CO 0.08 -0.37 0.58 -0.89 -0.29 0.00 0.00 176.35 175.46 2dmw s THR 51 N -0.57 4.93 -0.22 3.68 2.01 -1.26 -4.17 115.64 120.04 2dmw s THR 51 Ca -0.07 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 2dmw s THR 51 Cb -0.03 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2dmw s THR 51 CO 0.04 -0.36 0.08 -0.47 -0.69 0.00 0.00 174.62 173.22 2dmw s TYR 52 N 2.59 3.16 -0.49 4.92 6.14 -0.94 -5.03 117.35 127.70 2dmw s TYR 52 Ca 0.21 -0.17 -0.13 0.00 0.64 0.00 0.00 57.07 57.62 2dmw s TYR 52 Cb -0.15 -2.18 0.11 0.00 0.42 0.00 0.00 41.96 40.16 2dmw s TYR 52 CO 0.15 -0.13 0.41 -1.54 0.64 0.00 0.00 175.55 175.08 2dmw s SER 53 N 1.12 5.98 -0.18 4.32 1.04 -1.26 -0.64 113.70 124.07 2dmw s SER 53 Ca 0.05 -1.71 -0.05 0.00 0.48 0.00 0.00 55.95 54.72 2dmw s SER 53 Cb -0.14 -2.12 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 2dmw s SER 53 CO 0.03 -0.74 -0.01 -2.28 0.98 0.00 0.00 173.24 171.23 2dmw s HIS 54 N 1.52 3.05 0.00 5.02 2.46 -0.97 -5.01 115.29 121.36 2dmw s HIS 54 Ca 0.04 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.22 2dmw s HIS 54 Cb -0.27 -2.03 0.00 0.00 -0.13 0.00 0.00 32.58 30.14 2dmw s HIS 54 CO 0.02 -0.13 0.00 0.41 -2.47 0.00 0.00 174.74 172.58 2dmw n GLY 55 N 3.91 2.13 2.23 1.59 0.00 -1.26 -0.83 105.19 112.96 2dmw n GLY 55 Ca -0.17 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 0.10 7.35 -3.76 1.61 4.13 -1.26 -4.90 115.26 118.53 2dmw n ASN 56 Ca 0.00 -3.63 -0.13 0.00 1.68 0.00 0.00 54.58 52.50 2dmw n ASN 56 Cb 0.00 -0.99 -0.10 0.00 -1.54 0.00 0.00 39.78 37.15 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 -3.39 -0.29 -0.10 3.10 1.51 -0.01 -4.24 117.35 113.93 2dmw s TYR 57 Ca 0.58 0.65 -0.17 0.00 -1.01 0.00 0.00 57.07 57.11 2dmw s TYR 57 Cb 0.45 0.11 -0.05 0.00 -0.11 0.00 0.00 41.96 42.37 2dmw s TYR 57 CO -0.01 -0.26 0.45 -0.51 -1.11 0.00 0.00 175.55 174.12 2dmw s LEU 58 N -0.42 4.31 -0.43 -1.29 1.43 1.00 -2.30 118.68 120.98 2dmw s LEU 58 Ca -0.05 0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 2dmw s LEU 58 Cb -0.04 -2.66 0.11 0.00 0.03 0.00 0.00 46.19 43.64 2dmw s LEU 58 CO 0.02 0.06 0.24 -0.36 0.23 0.00 0.00 176.35 176.54 2dmw s PHE 59 N 0.34 3.52 -0.32 0.29 0.40 0.19 -2.38 117.98 120.01 2dmw s PHE 59 Ca 0.25 -2.21 -0.10 0.00 -0.60 0.00 0.00 56.93 54.27 2dmw s PHE 59 Cb -0.15 -3.27 -0.00 0.00 0.51 0.00 0.00 43.02 40.10 2dmw s PHE 59 CO 0.10 -0.97 0.18 -1.01 0.70 0.00 0.00 175.22 174.22 2dmw s HIS 60 N 1.22 3.20 -0.09 0.36 3.76 -1.19 -2.20 115.29 120.34 2dmw s HIS 60 Ca 0.07 -0.54 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 2dmw s HIS 60 Cb -0.24 -2.39 -0.00 0.00 1.11 0.00 0.00 32.58 31.06 2dmw s HIS 60 CO -0.03 -0.46 -0.23 1.52 -0.85 0.00 0.00 174.74 174.69 2dmw s TYR 61 N 1.63 2.55 -0.11 1.40 -0.85 -1.26 -3.13 117.35 117.59 2dmw s TYR 61 Ca 0.05 -0.96 0.01 0.00 -0.52 0.00 0.00 57.07 55.65 2dmw s TYR 61 Cb -0.17 -1.70 -0.01 0.00 0.38 0.00 0.00 41.96 40.46 2dmw s TYR 61 CO 0.07 -0.37 -0.15 0.42 -1.52 0.00 0.00 175.55 174.00 2dmw s ILE 62 N 0.24 2.88 -0.16 -3.49 1.01 -1.14 -4.01 121.20 116.52 2dmw s ILE 62 Ca -0.16 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2dmw s ILE 62 Cb -0.17 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2dmw s ILE 62 CO 0.08 0.54 0.23 0.00 0.00 0.00 0.00 174.94 175.79 2dmw s GLN 64 N 0.25 0.61 -1.20 0.00 2.00 -0.77 -4.48 119.66 116.08 2dmw s GLN 64 Ca 0.14 0.90 -0.05 0.00 -2.00 0.00 0.00 55.36 54.34 2dmw s GLN 64 Cb -0.12 0.20 0.04 0.00 0.80 0.00 0.00 33.01 33.93 2dmw s GLN 64 CO 0.02 -0.10 0.31 -3.47 -0.50 0.00 0.00 175.29 171.55 2dmw n ASP 65 N 3.37 -3.94 -1.36 6.67 -0.08 -1.26 0.72 116.55 120.67 2dmw n ASP 65 Ca -0.17 -0.15 -0.13 0.00 -1.51 0.00 0.00 54.79 52.83 2dmw n ASP 65 Cb 0.57 -3.29 -0.02 0.00 2.34 0.00 0.00 41.12 40.72 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 -3.40 -1.02 -4.86 -0.67 5.12 -1.26 -5.00 116.66 105.57 2dmw n ARG 66 Ca -0.07 0.75 -0.30 0.00 -1.93 0.00 0.00 57.85 56.30 2dmw n ARG 66 Cb 0.57 -4.93 -0.17 0.00 -1.16 0.00 0.00 32.46 26.78 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 -2.61 1.79 -0.18 0.55 -1.09 0.22 -4.66 121.20 115.23 2dmw s ILE 67 Ca 0.00 -0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 57.49 2dmw s ILE 67 Cb 0.00 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.25 2dmw s ILE 67 CO 0.00 0.50 0.09 -0.69 -1.23 0.00 0.00 174.94 173.61 2dmw s VAL 68 N 0.61 5.08 -0.39 2.92 1.01 -1.09 -1.84 120.40 126.70 2dmw s VAL 68 Ca -0.14 0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2dmw s VAL 68 Cb -0.17 -3.29 0.11 0.00 0.00 0.00 0.00 36.38 33.03 2dmw s VAL 68 CO 0.04 0.47 0.11 -0.31 0.00 0.00 0.00 175.10 175.42 2dmw s TYR 69 N 0.18 3.48 0.09 5.22 1.51 -1.05 -1.82 117.35 124.97 2dmw s TYR 69 Ca 0.06 -2.99 -0.06 0.00 -1.01 0.00 0.00 57.07 53.07 2dmw s TYR 69 Cb -0.12 -2.83 -0.05 0.00 -0.11 0.00 0.00 41.96 38.85 2dmw s TYR 69 CO -0.00 -0.89 0.36 -1.17 -1.11 0.00 0.00 175.55 172.74 2dmw s LEU 70 N 0.59 4.31 -0.09 -1.29 0.20 -1.15 -2.89 118.68 118.36 2dmw s LEU 70 Ca 0.13 0.63 -0.13 0.00 0.69 0.00 0.00 54.13 55.45 2dmw s LEU 70 Cb -0.21 -3.07 0.03 0.00 -0.43 0.00 0.00 46.19 42.51 2dmw s LEU 70 CO -0.06 0.13 0.33 0.00 -0.29 0.00 0.00 176.35 176.46 2dmw s ILE 72 N -0.33 4.53 0.09 0.00 1.01 -0.18 -3.20 121.20 123.12 2dmw s ILE 72 Ca -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 2dmw s ILE 72 Cb -0.03 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2dmw s ILE 72 CO 0.02 0.44 0.03 0.42 0.00 0.00 0.00 174.94 175.85 2dmw s THR 73 N 0.61 0.17 0.10 2.92 -4.23 -1.00 -2.62 115.64 111.59 2dmw s THR 73 Ca 0.02 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 2dmw s THR 73 Cb -0.13 -1.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.96 2dmw s THR 73 CO 0.02 -0.76 0.92 1.51 -0.54 0.00 0.00 174.62 175.77 2dmw s ASP 74 N -2.96 7.45 0.16 3.99 -4.77 -1.26 -0.00 116.67 119.27 2dmw s ASP 74 Ca 0.13 1.73 -0.17 0.00 -3.30 0.00 0.00 52.55 50.94 2dmw s ASP 74 Cb 0.07 -2.57 0.10 0.00 -1.09 0.00 0.00 42.92 39.44 2dmw s ASP 74 CO -0.06 -0.04 1.17 -0.67 0.70 0.00 0.00 175.17 176.28 2dmw n ASP 75 N 2.74 -0.60 -0.26 2.11 -0.08 -1.26 0.75 116.55 119.95 2dmw n ASP 75 Ca 0.01 1.33 0.07 0.00 -1.51 0.00 0.00 54.79 54.69 2dmw n ASP 75 Cb 0.49 -0.26 0.14 0.00 2.34 0.00 0.00 41.12 43.84 2dmw n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2dmw n ASP 76 N -5.06 -0.20 -4.17 1.67 2.03 -1.26 -4.50 116.55 105.06 2dmw n ASP 76 Ca 0.06 1.26 -0.37 0.00 0.52 0.00 0.00 54.79 56.26 2dmw n ASP 76 Cb 0.27 -0.41 0.03 0.00 -0.72 0.00 0.00 41.12 40.29 2dmw n ASP 76 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2dmw n PHE 77 N -5.14 -3.66 -3.31 -0.67 7.35 0.23 -4.89 117.46 107.36 2dmw n PHE 77 Ca 0.14 0.22 -0.39 0.00 -0.76 0.00 0.00 57.45 56.65 2dmw n PHE 77 Cb 0.44 -1.60 -0.07 0.00 0.35 0.00 0.00 39.48 38.59 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 -1.73 4.13 0.13 -4.13 2.56 -1.26 -4.98 118.70 113.42 2dmw s GLU 78 Ca 0.50 0.28 -0.25 0.00 0.00 0.00 0.00 54.97 55.50 2dmw s GLU 78 Cb -0.33 -3.59 -0.06 0.00 2.00 0.00 0.00 34.13 32.16 2dmw s GLU 78 CO 0.73 -0.18 1.32 0.54 -0.56 0.00 0.00 175.26 177.11 2dmw n ARG 79 N 4.93 -0.36 -0.24 4.30 1.74 -1.26 -0.77 116.66 125.00 2dmw n ARG 79 Ca -0.06 1.29 -0.12 0.00 -0.77 0.00 0.00 57.85 58.19 2dmw n ARG 79 Cb 0.50 -1.90 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 2dmw n ARG 79 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2dmw h SER 80 N 0.00 -1.88 -0.89 0.55 0.87 -1.99 0.97 113.55 111.18 2dmw h SER 80 Ca 0.13 0.26 0.21 0.00 -1.23 0.00 0.00 61.79 61.16 2dmw h SER 80 Cb 0.33 0.80 -0.17 0.00 -0.44 0.00 0.00 62.40 62.92 2dmw h SER 80 CO -0.76 -0.31 -0.09 0.03 -0.53 0.00 0.00 176.83 175.16 2dmw h ARG 81 N -0.22 0.03 0.03 2.24 2.47 -1.36 0.27 114.38 117.84 2dmw h ARG 81 Ca 0.10 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.85 2dmw h ARG 81 Cb 0.49 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 2dmw h ARG 81 CO -0.69 0.02 -0.22 0.00 0.56 0.00 0.00 179.97 179.63 2dmw h ALA 82 N 1.88 -0.31 -0.50 0.04 0.00 -0.19 -1.79 119.26 118.38 2dmw h ALA 82 Ca 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2dmw h ALA 82 Cb 0.85 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2dmw h ALA 82 CO -0.86 -0.73 0.27 0.74 0.00 0.00 0.00 179.25 178.67 2dmw h PHE 83 N -0.37 0.67 0.47 0.00 0.04 -0.04 -2.42 116.94 115.28 2dmw h PHE 83 Ca 0.05 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2dmw h PHE 83 Cb 0.43 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 2dmw h PHE 83 CO -0.25 0.47 -0.31 -0.91 -0.60 0.00 0.00 178.31 176.71 2dmw h ASN 84 N 0.69 -0.79 -0.40 2.17 4.21 0.21 0.05 115.58 121.72 2dmw h ASN 84 Ca 0.18 0.05 0.08 0.00 1.21 0.00 0.00 56.30 57.82 2dmw h ASN 84 Cb 0.03 0.23 -0.08 0.00 -1.12 0.00 0.00 38.32 37.38 2dmw h ASN 84 CO -0.03 -0.46 -0.16 0.15 -1.29 0.00 0.00 177.43 175.64 2dmw h PHE 85 N -0.74 -0.39 -0.71 1.19 3.57 -1.30 -0.27 116.94 118.30 2dmw h PHE 85 Ca -0.06 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.60 2dmw h PHE 85 Cb 0.59 0.23 -0.09 0.00 2.79 0.00 0.00 35.95 39.48 2dmw h PHE 85 CO -0.05 -0.24 0.28 -0.07 -2.23 0.00 0.00 178.31 176.00 2dmw h LEU 86 N -0.08 0.28 -0.85 0.59 3.38 -1.35 -0.47 115.31 116.80 2dmw h LEU 86 Ca 0.20 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2dmw h LEU 86 Cb 0.38 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2dmw h LEU 86 CO -0.46 0.13 0.23 0.78 0.09 0.00 0.00 178.44 179.22 2dmw h ASN 87 N 0.45 1.00 0.39 -0.43 4.21 0.43 0.42 115.58 122.06 2dmw h ASN 87 Ca 0.37 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.69 2dmw h ASN 87 Cb 0.51 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2dmw h ASN 87 CO -0.36 0.93 -0.28 -0.33 -1.29 0.00 0.00 177.43 176.10 2dmw h GLU 88 N 1.04 -0.62 -0.59 0.81 5.08 0.53 -0.97 114.58 119.87 2dmw h GLU 88 Ca 0.23 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2dmw h GLU 88 Cb 0.28 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2dmw h GLU 88 CO -0.01 -0.41 0.02 -0.84 -1.00 0.00 0.00 179.01 176.77 2dmw h ILE 89 N -0.64 1.26 -0.57 3.13 3.07 -1.42 -2.21 117.51 120.13 2dmw h ILE 89 Ca -0.05 -1.10 0.11 0.00 1.55 0.00 0.00 64.86 65.37 2dmw h ILE 89 Cb 0.53 0.78 -0.09 0.00 -0.27 0.00 0.00 36.82 37.77 2dmw h ILE 89 CO 0.02 0.40 0.07 0.50 -1.05 0.00 0.00 178.15 178.09 2dmw h LYS 90 N 0.93 0.18 -0.33 0.16 3.64 -0.08 0.20 116.57 121.28 2dmw h LYS 90 Ca 0.17 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.37 2dmw h LYS 90 Cb 0.51 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2dmw h LYS 90 CO 0.02 0.12 -0.49 0.87 -2.27 0.00 0.00 179.45 177.71 2dmw h LYS 91 N 0.19 0.90 -0.93 1.90 1.57 -1.04 -2.28 116.57 116.87 2dmw h LYS 91 Ca 0.30 -0.53 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2dmw h LYS 91 Cb 0.45 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2dmw h LYS 91 CO -0.43 1.17 0.62 0.00 -0.57 0.00 0.00 179.45 180.24 2dmw h ARG 92 N 0.71 1.22 0.44 3.15 3.08 -0.62 0.16 114.38 122.52 2dmw h ARG 92 Ca 0.03 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2dmw h ARG 92 Cb 1.09 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2dmw h ARG 92 CO 0.11 0.81 -0.21 0.35 -1.07 0.00 0.00 179.97 179.96 2dmw h PHE 93 N 1.26 -0.55 -0.14 3.04 3.04 -0.60 0.85 116.94 123.84 2dmw h PHE 93 Ca 0.35 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.32 2dmw h PHE 93 Cb -0.13 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2dmw h PHE 93 CO -0.00 -0.34 0.21 -0.56 -2.02 0.00 0.00 178.31 175.60 2dmw h GLN 94 N -1.09 0.00 0.01 1.11 3.07 -1.38 1.20 115.11 118.03 2dmw h GLN 94 Ca -0.06 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.35 2dmw h GLN 94 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.96 2dmw h GLN 94 CO 0.10 0.00 -1.95 2.41 0.09 0.00 0.00 178.83 179.48 2dmw n THR 95 N -3.54 1.57 -0.02 1.86 -1.04 0.55 -3.40 114.28 110.25 2dmw n THR 95 Ca 0.01 -0.79 -0.02 0.00 -2.04 0.00 0.00 64.05 61.21 2dmw n THR 95 Cb 0.32 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 67.84 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 -3.02 0.46 -1.52 12.58 -1.04 0.30 -4.65 114.28 117.38 2dmw n THR 96 Ca -0.24 0.40 -0.19 0.00 -2.04 0.00 0.00 64.05 61.98 2dmw n THR 96 Cb 1.08 -1.78 0.13 0.00 -1.82 0.00 0.00 70.33 67.93 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 -3.05 2.30 0.01 -1.42 4.01 0.33 -4.73 117.16 114.61 2dmw n TYR 97 Ca -0.03 -2.15 -0.01 0.00 -0.16 0.00 0.00 57.90 55.54 2dmw n TYR 97 Cb 0.11 -0.77 -0.01 0.00 -0.31 0.00 0.00 39.34 38.37 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 1.52 -0.09 -0.19 2.72 0.00 0.90 -2.71 103.07 105.22 2dmw h GLY 98 Ca 0.42 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.91 2dmw h GLY 98 CO 0.89 -0.03 -0.11 1.76 0.00 0.00 0.00 176.54 179.04 2dmw h SER 99 N -0.54 -0.49 -0.58 0.19 0.02 -1.85 0.23 113.55 110.52 2dmw h SER 99 Ca -0.01 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2dmw h SER 99 Cb 0.07 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2dmw h SER 99 CO 0.02 -0.18 0.38 0.03 -1.14 0.00 0.00 176.83 175.93 2dmw h ARG 100 N 0.03 0.78 -0.97 3.45 3.08 -1.89 -1.76 114.38 117.10 2dmw h ARG 100 Ca 0.30 -0.05 0.28 0.00 0.07 0.00 0.00 59.98 60.58 2dmw h ARG 100 Cb 0.47 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2dmw h ARG 100 CO -0.61 0.52 0.72 0.00 -1.07 0.00 0.00 179.97 179.54 2dmw h ALA 101 N 1.62 2.91 -0.04 0.04 0.00 -0.19 1.62 119.26 125.22 2dmw h ALA 101 Ca 0.21 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2dmw h ALA 101 Cb -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dmw h ALA 101 CO -0.04 -1.22 -0.79 1.96 0.00 0.00 0.00 179.25 179.15 2dmw h GLN 102 N 0.00 0.31 0.00 0.00 1.08 -1.26 -3.40 115.11 111.84 2dmw h GLN 102 Ca 0.46 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2dmw h GLN 102 Cb 1.89 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 29.39 2dmw h GLN 102 CO -0.00 0.96 -0.64 0.25 -0.95 0.00 0.00 178.83 178.45 2dmw n THR 103 N -3.77 0.96 -1.00 -0.54 -2.24 0.17 -5.00 114.28 102.87 2dmw n THR 103 Ca -0.04 0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.66 2dmw n THR 103 Cb 0.75 -2.04 -0.03 0.00 -2.10 0.00 0.00 70.33 66.91 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 -3.75 -2.38 -1.16 6.98 0.00 0.50 -4.90 120.51 115.81 2dmw n ALA 104 Ca -0.09 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 2dmw n ALA 104 Cb 0.33 -1.15 0.18 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.60 0.29 0.34 0.00 0.04 -1.26 -4.80 135.00 129.01 2dmw s PRO 105 Ca 0.48 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 61.72 2dmw s PRO 105 Cb -0.69 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 2dmw s PRO 105 CO 0.40 -2.82 1.21 -1.25 0.04 0.00 0.00 177.00 174.58 2dmw s PRO 106 N -4.97 4.32 -1.21 0.56 0.04 -1.26 -3.48 135.00 129.01 2dmw s PRO 106 Ca 0.66 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.67 2dmw s PRO 106 Cb -0.19 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2dmw s PRO 106 CO 0.58 -0.14 1.03 0.66 0.04 0.00 0.00 177.00 179.17 2dmw n TYR 107 N 0.66 -2.35 -0.04 0.56 4.01 -0.96 -4.95 117.16 114.09 2dmw n TYR 107 Ca 0.01 0.93 -0.05 0.00 -0.16 0.00 0.00 57.90 58.63 2dmw n TYR 107 Cb 0.44 -4.96 -0.02 0.00 -0.31 0.00 0.00 39.34 34.49 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 -4.34 1.45 -1.18 -0.72 0.00 -1.23 -4.66 120.51 109.83 2dmw n ALA 108 Ca -0.18 -0.52 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 2dmw n ALA 108 Cb 0.63 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.95 2.08 0.05 0.00 2.81 -1.26 -4.32 117.12 112.53 2dmw n MET 109 Ca -0.08 -1.73 -0.16 0.00 -1.81 0.00 0.00 57.70 53.91 2dmw n MET 109 Cb 0.31 -1.91 -0.14 0.00 -0.71 0.00 0.00 33.22 30.77 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 2.50 0.34 0.31 7.83 -0.73 -1.83 -3.20 115.58 120.79 2dmw h ASN 110 Ca 0.30 -0.50 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 2dmw h ASN 110 Cb 0.94 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.43 2dmw h ASN 110 CO 0.66 1.42 -0.15 0.28 -0.37 0.00 0.00 177.43 179.28 2dmw h SER 111 N 0.06 -0.35 -0.35 1.15 0.02 -1.95 0.45 113.55 112.58 2dmw h SER 111 Ca -0.25 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 60.78 2dmw h SER 111 Cb 2.01 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 64.55 2dmw h SER 111 CO 0.15 -0.20 -0.35 -0.33 -1.14 0.00 0.00 176.83 174.96 2dmw h GLU 112 N -0.51 -0.29 0.53 3.45 3.07 -1.90 -2.26 114.58 116.67 2dmw h GLU 112 Ca -0.04 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 2dmw h GLU 112 Cb 0.31 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2dmw h GLU 112 CO 0.07 -0.19 -0.26 0.35 -1.40 0.00 0.00 179.01 177.57 2dmw h PHE 113 N -0.30 -0.69 -0.82 4.33 3.57 -1.64 -2.39 116.94 119.01 2dmw h PHE 113 Ca 0.15 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.81 2dmw h PHE 113 Cb 0.55 0.23 -0.15 0.00 2.79 0.00 0.00 35.95 39.37 2dmw h PHE 113 CO -0.53 -0.42 -0.15 0.45 -2.23 0.00 0.00 178.31 175.42 2dmw n SER 114 N -5.41 -0.25 -0.02 0.41 2.88 0.16 0.75 113.62 112.15 2dmw n SER 114 Ca -0.12 1.40 -0.12 0.00 -1.33 0.00 0.00 58.87 58.70 2dmw n SER 114 Cb 0.30 -0.44 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 2dmw n SER 114 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dmw h SER 115 N 0.00 0.10 0.17 -3.46 0.87 -1.22 -2.39 113.55 107.62 2dmw h SER 115 Ca 0.42 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2dmw h SER 115 Cb 0.69 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 2dmw h SER 115 CO -0.83 0.39 -0.33 0.58 -0.53 0.00 0.00 176.83 176.12 2dmw h VAL 116 N -0.19 0.31 -0.27 2.23 2.07 0.85 -2.27 116.25 118.98 2dmw h VAL 116 Ca 0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2dmw h VAL 116 Cb 0.34 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2dmw h VAL 116 CO 0.00 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.27 2dmw h LEU 117 N -0.58 -0.81 -0.76 2.57 3.38 -0.51 -1.31 115.31 117.29 2dmw h LEU 117 Ca 0.02 0.15 0.17 0.00 0.09 0.00 0.00 57.88 58.31 2dmw h LEU 117 Cb 0.59 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 2dmw h LEU 117 CO -0.16 -0.28 0.05 0.00 0.09 0.00 0.00 178.44 178.13 2dmw h ALA 118 N 0.80 0.84 -0.52 1.53 0.00 -1.15 0.15 119.26 120.91 2dmw h ALA 118 Ca 0.14 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2dmw h ALA 118 Cb 0.47 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2dmw h ALA 118 CO -0.41 -0.42 0.30 0.00 0.00 0.00 0.00 179.25 178.73 2dmw h ALA 119 N 1.69 0.67 -0.02 0.00 0.00 -0.68 0.46 119.26 121.38 2dmw h ALA 119 Ca 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2dmw h ALA 119 Cb 0.75 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2dmw h ALA 119 CO -0.64 0.00 0.01 1.96 0.00 0.00 0.00 179.25 180.58 2dmw h GLN 120 N 0.60 0.04 -0.20 0.00 1.08 -0.21 0.26 115.11 116.68 2dmw h GLN 120 Ca 0.22 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.43 2dmw h GLN 120 Cb 0.05 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2dmw h GLN 120 CO -0.11 0.20 0.04 -0.07 -0.95 0.00 0.00 178.83 177.94 2dmw h LEU 121 N -0.14 0.01 0.21 1.46 3.38 -0.59 -1.80 115.31 117.84 2dmw h LEU 121 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dmw h LEU 121 Cb 0.18 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dmw h LEU 121 CO -0.00 0.03 -0.10 0.50 0.09 0.00 0.00 178.44 178.96 2dmw h LYS 122 N 0.12 -0.27 -0.77 1.13 3.64 -0.85 -1.87 116.57 117.69 2dmw h LYS 122 Ca 0.09 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 2dmw h LYS 122 Cb 0.08 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.86 2dmw h LYS 122 CO -0.12 -0.18 -0.39 1.58 -2.27 0.00 0.00 179.45 178.07 2dmw n HIS 123 N -3.03 -0.19 -0.02 1.91 -0.00 0.90 0.62 115.22 115.41 2dmw n HIS 123 Ca -0.04 0.95 -0.09 0.00 0.46 0.00 0.00 57.72 59.01 2dmw n HIS 123 Cb 0.11 -0.66 -0.03 0.00 -0.12 0.00 0.00 29.99 29.29 2dmw n HIS 123 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2dmw h HIS 124 N 0.00 -0.18 -3.42 1.57 3.86 -1.40 -3.42 115.15 112.16 2dmw h HIS 124 Ca 0.18 0.02 -0.37 0.00 -1.16 0.00 0.00 60.37 59.04 2dmw h HIS 124 Cb 0.38 0.10 -0.35 0.00 1.06 0.00 0.00 27.41 28.60 2dmw h HIS 124 CO -0.74 -0.12 -0.75 -1.54 0.86 0.00 0.00 177.93 175.63 2dmw s SER 125 N -5.15 0.82 1.39 2.45 1.04 0.20 -5.11 113.70 109.34 2dmw s SER 125 Ca -0.14 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.03 2dmw s SER 125 Cb 0.10 -0.29 0.36 0.00 0.10 0.00 0.00 66.02 66.29 2dmw s SER 125 CO 0.68 -0.13 0.95 -0.94 0.98 0.00 0.00 173.24 174.78 2dmw s SER 126 N 1.34 -0.82 0.22 7.02 1.04 -1.13 -3.83 113.70 117.53 2dmw s SER 126 Ca -0.05 0.86 -0.31 0.00 0.48 0.00 0.00 55.95 56.93 2dmw s SER 126 Cb -0.13 -1.22 -0.10 0.00 0.10 0.00 0.00 66.02 64.66 2dmw s SER 126 CO -0.02 -5.22 1.54 -0.83 0.98 0.00 0.00 173.24 169.69 2dmw s GLY 127 N -3.19 1.88 -0.47 7.32 0.00 -1.26 -4.91 107.32 106.68 2dmw s GLY 127 Ca 0.69 1.40 -0.28 0.00 0.00 0.00 0.00 44.72 46.54 2dmw s GLY 127 CO 0.58 2.52 1.77 2.56 0.00 0.00 0.00 173.10 180.53 2dmw s PRO 128 N 0.38 3.05 -1.03 2.90 0.04 -1.26 -4.93 135.00 134.15 2dmw s PRO 128 Ca 0.66 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 2dmw s PRO 128 Cb -0.44 -4.26 0.04 0.00 0.04 0.00 0.00 34.50 29.88 2dmw s PRO 128 CO 0.38 -2.21 1.55 0.45 0.04 0.00 0.00 177.00 177.20 2dmw s SER 129 N 6.70 6.33 -0.22 6.66 0.15 -1.26 -4.88 113.70 127.19 2dmw s SER 129 Ca 0.72 -1.44 -0.27 0.00 0.70 0.00 0.00 55.95 55.65 2dmw s SER 129 Cb -0.17 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.68 2dmw s SER 129 CO 0.28 -1.66 0.93 -0.55 1.20 0.00 0.00 173.24 173.43 2dmw s SER 130 N 5.33 -0.50 0.00 5.45 0.15 -1.26 -5.17 113.70 117.69 2dmw s SER 130 Ca 0.50 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2dmw s SER 130 Cb -0.01 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2dmw s SER 130 CO -0.07 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.71