#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 4.28 -3.60 1.61 3.41 -1.26 -5.04 113.62 113.02 2dmw n SER 2 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2dmw n SER 2 Cb 0.00 0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 64.68 2dmw n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmw s SER 3 N -1.90 -0.91 -0.38 4.04 0.01 -1.26 -5.08 113.70 108.21 2dmw s SER 3 Ca 0.00 1.33 0.11 0.00 1.31 0.00 0.00 55.95 58.70 2dmw s SER 3 Cb 0.00 1.81 0.34 0.00 0.21 0.00 0.00 66.02 68.38 2dmw s SER 3 CO 0.00 -0.19 0.76 0.61 0.41 0.00 0.00 173.24 174.83 2dmw n GLY 4 N 4.85 3.16 3.56 3.44 0.00 -1.26 -5.10 105.19 113.85 2dmw n GLY 4 Ca -0.14 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 2dmw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmw s SER 5 N -2.19 -0.35 -0.10 1.61 0.15 -1.26 -5.08 113.70 106.47 2dmw s SER 5 Ca 0.37 0.30 -0.13 0.00 0.70 0.00 0.00 55.95 57.19 2dmw s SER 5 Cb 0.33 0.31 -0.11 0.00 -1.71 0.00 0.00 66.02 64.84 2dmw s SER 5 CO -0.08 -0.39 0.40 -1.28 1.20 0.00 0.00 173.24 173.09 2dmw h SER 6 N 2.41 -0.05 0.00 5.45 0.87 -2.00 -3.48 113.55 116.74 2dmw h SER 6 Ca -0.18 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2dmw h SER 6 Cb 1.18 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2dmw h SER 6 CO 0.30 0.61 0.00 0.61 -0.53 0.00 0.00 176.83 177.82 2dmw n GLY 7 N 1.48 1.54 3.71 5.77 0.00 -1.26 -4.92 105.19 111.50 2dmw n GLY 7 Ca -0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 4.24 0.18 1.61 1.00 -1.26 -4.52 119.30 120.54 2dmw s MET 8 Ca 0.00 2.26 0.04 0.00 0.00 0.00 0.00 55.69 57.99 2dmw s MET 8 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 34.83 31.46 2dmw s MET 8 CO 0.00 -0.61 0.16 0.00 0.00 0.00 0.00 175.02 174.57 2dmw n ALA 9 N 4.62 0.34 -1.65 3.03 0.00 -1.26 -4.82 120.51 120.77 2dmw n ALA 9 Ca 0.14 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.16 2dmw n ALA 9 Cb 0.40 0.82 0.02 0.00 0.00 0.00 0.00 19.45 20.69 2dmw n ALA 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dmw n ILE 10 N -0.33 2.68 0.00 0.00 5.41 -1.26 -4.56 119.36 121.30 2dmw n ILE 10 Ca 0.04 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2dmw n ILE 10 Cb 0.32 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 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 0.20 1.45 -4.42 1.39 4.77 -1.15 -4.89 117.00 114.35 2dmw n LEU 11 Ca 0.09 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 2dmw n LEU 11 Cb 0.40 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2dmw n LEU 11 CO 0.57 0.20 -0.45 0.12 -1.33 0.00 0.00 177.39 176.49 2dmw s PHE 12 N -1.78 2.75 -0.30 -1.77 5.36 -1.21 -2.93 117.98 118.10 2dmw s PHE 12 Ca 0.00 -0.40 -0.10 0.00 -0.96 0.00 0.00 56.93 55.47 2dmw s PHE 12 Cb 0.00 -1.73 0.12 0.00 -0.34 0.00 0.00 43.02 41.07 2dmw s PHE 12 CO 0.00 -0.01 0.65 0.00 -1.46 0.00 0.00 175.22 174.40 2dmw s ALA 13 N -0.21 -2.02 0.07 11.12 0.00 -1.26 -1.60 121.76 127.86 2dmw s ALA 13 Ca 0.00 2.34 -0.07 0.00 0.00 0.00 0.00 51.96 54.24 2dmw s ALA 13 Cb -0.13 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 2dmw s ALA 13 CO 0.03 -0.88 0.13 0.14 0.00 0.00 0.00 175.76 175.18 2dmw s VAL 14 N 2.78 0.16 -0.25 0.00 -7.23 -1.03 -3.62 120.40 111.21 2dmw s VAL 14 Ca -0.06 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 2dmw s VAL 14 Cb -0.11 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.55 2dmw s VAL 14 CO -0.19 -0.72 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.15 2dmw s VAL 15 N -3.62 3.06 -0.01 1.32 1.01 -1.01 -3.04 120.40 118.11 2dmw s VAL 15 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2dmw s VAL 15 Cb 0.04 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 2dmw s VAL 15 CO -0.09 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.14 2dmw s ALA 16 N 1.37 0.84 -0.08 5.51 0.00 -0.28 -2.25 121.76 126.87 2dmw s ALA 16 Ca 0.02 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.61 2dmw s ALA 16 Cb -0.16 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2dmw s ALA 16 CO -0.04 0.19 -0.19 -0.98 0.00 0.00 0.00 175.76 174.74 2dmw s ARG 17 N -0.12 2.37 -1.01 0.00 1.70 0.65 -0.42 118.95 122.12 2dmw s ARG 17 Ca 0.02 -0.69 -0.16 0.00 -0.47 0.00 0.00 55.73 54.43 2dmw s ARG 17 Cb -0.05 -1.88 0.02 0.00 -0.57 0.00 0.00 34.95 32.47 2dmw s ARG 17 CO -0.00 0.16 0.65 0.41 -1.08 0.00 0.00 175.30 175.44 2dmw n GLY 18 N 3.51 -1.10 3.90 3.88 0.00 -1.26 -1.12 105.19 113.00 2dmw n GLY 18 Ca -0.20 0.48 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.72 -3.34 -3.28 2.61 -2.24 -1.26 -4.96 114.28 98.09 2dmw n THR 19 Ca -0.21 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.02 2dmw n THR 19 Cb 0.63 -2.88 -0.06 0.00 -2.10 0.00 0.00 70.33 65.93 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 -3.90 -0.72 -0.30 4.28 2.01 -0.28 -5.09 115.64 111.64 2dmw s THR 20 Ca 0.01 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.65 2dmw s THR 20 Cb -0.00 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.61 2dmw s THR 20 CO 0.87 -0.13 0.90 -0.63 -0.69 0.00 0.00 174.62 174.95 2dmw s ILE 21 N 2.63 4.69 -0.16 1.82 1.01 -1.26 -0.26 121.20 129.67 2dmw s ILE 21 Ca 0.14 1.44 -0.23 0.00 0.00 0.00 0.00 60.65 62.00 2dmw s ILE 21 Cb -0.14 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.85 2dmw s ILE 21 CO -0.21 -0.32 0.49 -0.07 0.00 0.00 0.00 174.94 174.84 2dmw h LEU 22 N 9.66 0.09 -7.39 2.97 3.38 -1.84 -3.30 115.31 118.87 2dmw h LEU 22 Ca -0.23 -0.76 -0.28 0.00 0.09 0.00 0.00 57.88 56.71 2dmw h LEU 22 Cb 1.08 -0.03 -0.34 0.00 0.09 0.00 0.00 40.66 41.47 2dmw h LEU 22 CO 0.94 1.34 -0.64 0.00 0.09 0.00 0.00 178.44 180.17 2dmw s ALA 23 N -2.34 -0.14 0.01 1.53 0.00 -1.24 -3.00 121.76 116.58 2dmw s ALA 23 Ca -0.23 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.34 2dmw s ALA 23 Cb 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2dmw s ALA 23 CO 0.67 -0.28 -0.20 -1.59 0.00 0.00 0.00 175.76 174.36 2dmw s LYS 24 N 1.54 1.46 -0.30 0.00 -2.85 -1.26 -2.40 119.74 115.93 2dmw s LYS 24 Ca -0.05 -0.79 -0.01 0.00 -1.00 0.00 0.00 55.97 54.12 2dmw s LYS 24 Cb -0.12 -1.48 0.19 0.00 -2.06 0.00 0.00 37.83 34.36 2dmw s LYS 24 CO -0.05 0.39 0.62 -1.58 0.10 0.00 0.00 175.35 174.83 2dmw s HIS 25 N -0.61 -1.56 0.22 1.78 2.46 -1.24 -4.80 115.29 111.54 2dmw s HIS 25 Ca 0.07 1.65 0.02 0.00 0.47 0.00 0.00 55.06 57.27 2dmw s HIS 25 Cb -0.08 0.55 -0.05 0.00 -0.13 0.00 0.00 32.58 32.87 2dmw s HIS 25 CO 0.00 -0.85 0.02 0.00 -2.47 0.00 0.00 174.74 171.44 2dmw s ALA 26 N 2.86 1.64 0.60 1.58 0.00 -1.26 -4.03 121.76 123.15 2dmw s ALA 26 Ca 0.20 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 2dmw s ALA 26 Cb -0.15 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2dmw s ALA 26 CO -0.21 -0.31 1.09 -1.58 0.00 0.00 0.00 175.76 174.75 2dmw s TRP 27 N -3.56 2.81 -0.46 0.00 0.52 -1.15 -4.96 118.94 112.14 2dmw s TRP 27 Ca 0.29 1.54 -0.29 0.00 0.02 0.00 0.00 56.10 57.65 2dmw s TRP 27 Cb 0.06 -3.12 0.02 0.00 -1.15 0.00 0.00 33.47 29.29 2dmw s TRP 27 CO 0.08 -1.36 1.25 0.00 0.02 0.00 0.00 176.95 176.93 2dmw n GLY 29 N 4.95 0.14 0.00 0.00 0.00 -1.26 -5.17 105.19 103.85 2dmw n GLY 29 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 3.55 3.30 -0.02 0.00 -1.26 -5.03 105.19 105.72 2dmw n GLY 30 Ca 0.00 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 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 5.96 -0.20 1.61 0.01 -1.26 -4.87 114.94 116.19 2dmw s ASN 31 Ca 0.00 -1.67 0.02 0.00 -0.71 0.00 0.00 52.86 50.50 2dmw s ASN 31 Cb 0.00 -2.12 -0.14 0.00 0.41 0.00 0.00 41.25 39.41 2dmw s ASN 31 CO 0.00 -0.71 -0.18 0.49 -1.51 0.00 0.00 177.10 175.19 2dmw n PHE 32 N 5.10 0.00 -0.28 2.20 3.72 -1.26 -4.51 117.46 122.42 2dmw n PHE 32 Ca -0.11 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.55 2dmw n PHE 32 Cb 0.42 -0.79 0.48 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.09 0.26 0.09 4.37 7.94 -1.26 -0.32 117.00 125.00 2dmw n LEU 33 Ca -0.36 1.44 -0.04 0.00 -1.11 0.00 0.00 56.01 55.94 2dmw n LEU 33 Cb 0.89 -0.68 -0.02 0.00 0.53 0.00 0.00 43.42 44.14 2dmw n LEU 33 CO 0.21 -1.59 0.51 -0.08 -1.11 0.00 0.00 177.39 175.32 2dmw h GLU 34 N 0.00 -0.24 -0.81 1.96 4.81 -2.00 -0.17 114.58 118.13 2dmw h GLU 34 Ca 0.71 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 60.08 2dmw h GLU 34 Cb 1.85 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 31.20 2dmw h GLU 34 CO -0.68 -0.16 0.42 -0.24 -0.73 0.00 0.00 179.01 177.62 2dmw h VAL 35 N -0.25 0.78 0.15 0.32 3.04 -1.22 -2.18 116.25 116.90 2dmw h VAL 35 Ca -0.02 -0.22 0.02 0.00 -1.01 0.00 0.00 66.70 65.46 2dmw h VAL 35 Cb 0.19 0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 29.53 2dmw h VAL 35 CO 0.03 0.12 -0.30 0.74 -1.01 0.00 0.00 177.57 177.15 2dmw h THR 36 N 0.64 0.36 -0.34 3.17 2.02 -0.61 -1.13 112.91 117.02 2dmw h THR 36 Ca 0.42 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.67 2dmw h THR 36 Cb 0.53 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 2dmw h THR 36 CO -0.32 0.00 -0.13 -0.33 0.37 0.00 0.00 175.52 175.11 2dmw h GLU 37 N -0.53 -0.06 -0.86 6.66 5.08 -0.45 0.14 114.58 124.55 2dmw h GLU 37 Ca 0.02 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2dmw h GLU 37 Cb 0.55 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 2dmw h GLU 37 CO -0.16 -0.04 0.49 1.96 -1.00 0.00 0.00 179.01 180.26 2dmw h GLN 38 N -0.06 0.74 -0.43 2.33 1.08 -1.07 -1.37 115.11 116.33 2dmw h GLN 38 Ca 0.17 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.20 2dmw h GLN 38 Cb 0.32 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2dmw h GLN 38 CO -0.38 0.49 -0.23 0.82 -0.95 0.00 0.00 178.83 178.57 2dmw h ILE 39 N 0.77 1.27 -0.70 2.54 1.08 0.07 -3.11 117.51 119.43 2dmw h ILE 39 Ca 0.44 -1.39 0.10 0.00 -0.39 0.00 0.00 64.86 63.61 2dmw h ILE 39 Cb 0.48 1.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.40 2dmw h ILE 39 CO -0.29 0.47 0.33 -0.07 -0.69 0.00 0.00 178.15 177.91 2dmw h LEU 40 N 0.75 0.42 0.00 1.44 3.38 0.30 0.45 115.31 122.05 2dmw h LEU 40 Ca 0.09 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2dmw h LEU 40 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2dmw h LEU 40 CO 0.07 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.83 2dmw n ALA 41 N -2.42 1.45 -0.02 1.53 0.00 -0.86 -1.74 120.51 118.45 2dmw n ALA 41 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2dmw n ALA 41 Cb 0.29 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.39 1.12 -2.48 0.00 5.02 0.13 -4.98 118.16 115.58 2dmw n LYS 42 Ca 0.03 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 2dmw n LYS 42 Cb 0.07 -1.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.56 4.21 0.81 -0.18 1.01 0.61 -5.02 121.20 120.07 2dmw s ILE 43 Ca -0.04 1.58 -0.11 0.00 0.00 0.00 0.00 60.65 62.08 2dmw s ILE 43 Cb 0.06 -4.01 0.08 0.00 0.01 0.00 0.00 42.46 38.59 2dmw s ILE 43 CO 0.45 0.11 1.09 -2.16 0.00 0.00 0.00 174.94 174.42 2dmw s PRO 44 N 1.19 1.93 -0.39 2.79 0.04 -1.26 -4.94 135.00 134.35 2dmw s PRO 44 Ca 0.57 1.06 0.05 0.00 0.04 0.00 0.00 61.00 62.72 2dmw s PRO 44 Cb -0.27 -1.87 0.52 0.00 0.04 0.00 0.00 34.50 32.92 2dmw s PRO 44 CO 0.28 -1.84 1.62 0.43 0.04 0.00 0.00 177.00 177.53 2dmw n SER 45 N -3.64 4.01 -4.64 6.66 7.64 -1.26 -4.95 113.62 117.44 2dmw n SER 45 Ca 0.08 -3.75 -0.31 0.00 1.01 0.00 0.00 58.87 55.90 2dmw n SER 45 Cb 0.54 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.42 2.52 -0.80 1.43 2.02 -1.26 -4.67 118.70 114.52 2dmw s GLU 46 Ca 0.52 -0.79 -0.18 0.00 0.02 0.00 0.00 54.97 54.54 2dmw s GLU 46 Cb 0.44 -2.51 -0.19 0.00 0.10 0.00 0.00 34.13 31.97 2dmw s GLU 46 CO 0.02 0.57 2.09 0.09 0.02 0.00 0.00 175.26 178.06 2dmw n ASN 47 N 1.08 0.36 -3.64 -0.19 4.13 -1.26 -4.72 115.26 111.01 2dmw n ASN 47 Ca -0.13 -1.46 -0.05 0.00 1.68 0.00 0.00 54.58 54.61 2dmw n ASN 47 Cb 0.52 -1.25 -0.06 0.00 -1.54 0.00 0.00 39.78 37.45 2dmw n ASN 47 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dmw s ASN 48 N 6.18 -0.19 0.23 6.41 4.22 -1.26 -5.07 114.94 125.46 2dmw s ASN 48 Ca 0.88 0.32 0.10 0.00 -2.14 0.00 0.00 52.86 52.02 2dmw s ASN 48 Cb -0.28 0.31 -0.04 0.00 1.28 0.00 0.00 41.25 42.52 2dmw s ASN 48 CO 0.22 -0.09 -0.13 -1.59 -2.04 0.00 0.00 177.10 173.47 2dmw s LYS 49 N -0.23 1.91 0.02 3.55 -2.85 -1.26 -3.95 119.74 116.94 2dmw s LYS 49 Ca 0.06 -1.49 -0.12 0.00 -1.00 0.00 0.00 55.97 53.42 2dmw s LYS 49 Cb -0.04 -1.99 0.01 0.00 -2.06 0.00 0.00 37.83 33.75 2dmw s LYS 49 CO -0.10 0.38 0.25 -1.17 0.10 0.00 0.00 175.35 174.82 2dmw s LEU 50 N -3.18 1.09 -0.41 2.77 0.20 -1.25 -5.08 118.68 112.83 2dmw s LEU 50 Ca 0.27 -0.17 -0.15 0.00 0.69 0.00 0.00 54.13 54.77 2dmw s LEU 50 Cb -0.07 1.13 0.02 0.00 -0.43 0.00 0.00 46.19 46.84 2dmw s LEU 50 CO 0.15 -0.52 0.30 -0.89 -0.29 0.00 0.00 176.35 175.09 2dmw s THR 51 N -2.09 5.25 -0.23 3.68 2.01 -1.26 -3.86 115.64 119.15 2dmw s THR 51 Ca -0.08 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 2dmw s THR 51 Cb -0.03 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2dmw s THR 51 CO -0.01 -0.30 0.12 -0.47 -0.69 0.00 0.00 174.62 173.27 2dmw s TYR 52 N 1.68 3.25 -0.39 4.92 6.14 -0.93 -5.01 117.35 127.01 2dmw s TYR 52 Ca 0.05 0.06 -0.11 0.00 0.64 0.00 0.00 57.07 57.71 2dmw s TYR 52 Cb -0.19 -2.22 0.03 0.00 0.42 0.00 0.00 41.96 40.00 2dmw s TYR 52 CO 0.10 -0.01 0.23 -1.54 0.64 0.00 0.00 175.55 174.97 2dmw s SER 53 N 1.03 5.79 -0.34 4.32 1.04 -1.26 -0.15 113.70 124.12 2dmw s SER 53 Ca 0.06 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.47 2dmw s SER 53 Cb -0.14 -2.04 0.09 0.00 0.10 0.00 0.00 66.02 64.03 2dmw s SER 53 CO 0.04 -0.41 0.05 -2.28 0.98 0.00 0.00 173.24 171.62 2dmw s HIS 54 N 1.56 3.60 0.00 5.02 2.46 -0.93 -5.00 115.29 122.01 2dmw s HIS 54 Ca 0.02 -2.66 0.00 0.00 0.47 0.00 0.00 55.06 52.89 2dmw s HIS 54 Cb -0.20 -2.75 0.00 0.00 -0.13 0.00 0.00 32.58 29.50 2dmw s HIS 54 CO 0.07 -0.93 0.00 0.41 -2.47 0.00 0.00 174.74 171.82 2dmw n GLY 55 N 4.39 1.51 1.58 1.59 0.00 -1.26 -2.59 105.19 110.41 2dmw n GLY 55 Ca -0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.40 5.48 -3.72 1.61 3.02 -1.26 -4.77 115.26 114.21 2dmw n ASN 56 Ca 0.00 -2.58 -0.13 0.00 -0.03 0.00 0.00 54.58 51.83 2dmw n ASN 56 Cb 0.00 -1.06 -0.10 0.00 -0.61 0.00 0.00 39.78 38.01 2dmw n ASN 56 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dmw s TYR 57 N -0.56 -0.47 -0.06 3.10 1.51 -1.07 -4.22 117.35 115.59 2dmw s TYR 57 Ca 0.10 1.12 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 2dmw s TYR 57 Cb 0.07 0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 42.04 2dmw s TYR 57 CO 0.00 -0.25 0.38 -0.51 -1.11 0.00 0.00 175.55 174.06 2dmw s LEU 58 N 0.09 4.39 -0.52 -1.29 1.43 -0.75 -2.19 118.68 119.85 2dmw s LEU 58 Ca -0.01 0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2dmw s LEU 58 Cb -0.03 -2.54 0.14 0.00 0.03 0.00 0.00 46.19 43.79 2dmw s LEU 58 CO 0.01 0.23 0.30 -0.36 0.23 0.00 0.00 176.35 176.76 2dmw s PHE 59 N -0.50 3.44 -0.23 0.29 0.40 0.78 -2.65 117.98 119.51 2dmw s PHE 59 Ca 0.22 -2.79 -0.15 0.00 -0.60 0.00 0.00 56.93 53.61 2dmw s PHE 59 Cb -0.15 -3.09 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 2dmw s PHE 59 CO 0.11 -0.86 0.39 -1.01 0.70 0.00 0.00 175.22 174.54 2dmw s HIS 60 N 0.26 3.33 -0.03 0.36 3.76 -1.21 -2.20 115.29 119.56 2dmw s HIS 60 Ca 0.14 0.54 0.06 0.00 -0.15 0.00 0.00 55.06 55.65 2dmw s HIS 60 Cb -0.22 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 2dmw s HIS 60 CO -0.03 -0.09 -0.21 1.52 -0.85 0.00 0.00 174.74 175.08 2dmw s TYR 61 N 1.60 1.96 -0.09 1.40 -0.85 -1.25 -2.80 117.35 117.31 2dmw s TYR 61 Ca 0.17 -0.46 0.04 0.00 -0.52 0.00 0.00 57.07 56.30 2dmw s TYR 61 Cb -0.15 -1.28 -0.00 0.00 0.38 0.00 0.00 41.96 40.90 2dmw s TYR 61 CO 0.08 -0.10 -0.23 0.42 -1.52 0.00 0.00 175.55 174.20 2dmw s ILE 62 N -0.30 2.19 -0.21 -3.49 1.01 -1.03 -3.82 121.20 115.54 2dmw s ILE 62 Ca 0.03 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 2dmw s ILE 62 Cb -0.10 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2dmw s ILE 62 CO 0.01 0.56 0.06 0.00 0.00 0.00 0.00 174.94 175.57 2dmw s GLN 64 N 0.94 0.62 -1.49 0.00 0.74 -0.49 -4.23 119.66 115.74 2dmw s GLN 64 Ca 0.04 1.14 -0.06 0.00 0.05 0.00 0.00 55.36 56.53 2dmw s GLN 64 Cb -0.14 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.22 2dmw s GLN 64 CO 0.03 -0.14 0.56 -0.25 -0.55 0.00 0.00 175.29 174.94 2dmw n ASP 65 N 4.37 -5.54 -1.43 6.67 9.92 -1.26 -0.76 116.55 128.51 2dmw n ASP 65 Ca -0.18 -0.30 -0.13 0.00 -0.53 0.00 0.00 54.79 53.64 2dmw n ASP 65 Cb 0.57 -4.50 -0.02 0.00 -0.64 0.00 0.00 41.12 36.54 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dmw n ARG 66 N -3.93 -1.04 -5.00 -1.24 5.12 -1.26 -5.01 116.66 104.30 2dmw n ARG 66 Ca -0.09 0.71 -0.28 0.00 -1.93 0.00 0.00 57.85 56.25 2dmw n ARG 66 Cb 0.60 -4.92 -0.16 0.00 -1.16 0.00 0.00 32.46 26.82 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 -2.64 1.67 -0.15 0.55 -1.09 0.06 -4.26 121.20 115.34 2dmw s ILE 67 Ca 0.00 -0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 57.55 2dmw s ILE 67 Cb 0.00 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.43 2dmw s ILE 67 CO 0.00 0.47 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.43 2dmw s VAL 68 N 0.00 3.59 -0.41 2.92 1.01 0.44 -1.40 120.40 126.55 2dmw s VAL 68 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2dmw s VAL 68 Cb -0.13 -2.56 0.11 0.00 0.00 0.00 0.00 36.38 33.81 2dmw s VAL 68 CO 0.03 0.50 0.17 -0.31 0.00 0.00 0.00 175.10 175.49 2dmw s TYR 69 N 0.43 3.60 -0.01 5.22 1.51 -0.69 -1.12 117.35 126.28 2dmw s TYR 69 Ca -0.06 -2.79 -0.03 0.00 -1.01 0.00 0.00 57.07 53.18 2dmw s TYR 69 Cb -0.15 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.61 2dmw s TYR 69 CO 0.04 -0.92 0.20 -1.17 -1.11 0.00 0.00 175.55 172.58 2dmw s LEU 70 N 0.75 4.37 -0.20 -1.29 0.20 -1.17 -2.47 118.68 118.88 2dmw s LEU 70 Ca 0.11 0.39 -0.16 0.00 0.69 0.00 0.00 54.13 55.17 2dmw s LEU 70 Cb -0.21 -2.61 0.06 0.00 -0.43 0.00 0.00 46.19 42.99 2dmw s LEU 70 CO -0.05 0.26 0.51 0.00 -0.29 0.00 0.00 176.35 176.78 2dmw s ILE 72 N 0.69 5.29 0.14 0.00 1.09 -0.63 -3.28 121.20 124.51 2dmw s ILE 72 Ca -0.03 0.56 -0.01 0.00 -1.10 0.00 0.00 60.65 60.07 2dmw s ILE 72 Cb -0.05 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 2dmw s ILE 72 CO -0.05 0.42 0.06 0.42 -0.10 0.00 0.00 174.94 175.69 2dmw s THR 73 N 0.23 0.16 0.44 2.92 -4.23 -1.08 -2.92 115.64 111.16 2dmw s THR 73 Ca 0.17 -1.93 -0.23 0.00 -1.18 0.00 0.00 61.69 58.52 2dmw s THR 73 Cb -0.13 -2.11 -0.08 0.00 1.34 0.00 0.00 72.50 71.51 2dmw s THR 73 CO 0.05 -0.41 1.11 -0.62 -0.54 0.00 0.00 174.62 174.21 2dmw s ASP 74 N -3.08 6.41 0.14 3.99 -1.08 -1.26 -1.80 116.67 119.98 2dmw s ASP 74 Ca 0.26 2.17 -0.25 0.00 -0.52 0.00 0.00 52.55 54.21 2dmw s ASP 74 Cb 0.07 -2.59 -0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2dmw s ASP 74 CO 0.03 -0.74 1.62 -2.24 0.52 0.00 0.00 175.17 174.35 2dmw h ASP 75 N 2.17 -0.93 -0.92 -0.34 2.03 -1.93 0.32 116.42 116.82 2dmw h ASP 75 Ca -0.49 0.14 0.24 0.00 -0.73 0.00 0.00 57.03 56.19 2dmw h ASP 75 Cb 1.23 0.41 -0.06 0.00 -0.83 0.00 0.00 39.33 40.08 2dmw h ASP 75 CO 0.61 -0.33 0.63 -2.24 -1.03 0.00 0.00 179.24 176.88 2dmw h ASP 76 N -0.35 0.23 -1.86 4.15 2.03 -1.95 -3.43 116.42 115.25 2dmw h ASP 76 Ca 0.11 0.03 -0.63 0.00 -0.73 0.00 0.00 57.03 55.81 2dmw h ASP 76 Cb 0.52 -0.01 0.14 0.00 -0.83 0.00 0.00 39.33 39.14 2dmw h ASP 76 CO -0.37 0.08 -0.52 0.33 -1.03 0.00 0.00 179.24 177.74 2dmw n PHE 77 N -4.42 -0.72 -2.66 4.15 7.35 0.10 -4.88 117.46 116.38 2dmw n PHE 77 Ca 0.20 0.71 -0.41 0.00 -0.76 0.00 0.00 57.45 57.19 2dmw n PHE 77 Cb 0.85 -1.96 -0.04 0.00 0.35 0.00 0.00 39.48 38.68 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 -1.29 4.65 0.16 -4.13 2.12 -1.26 -4.96 118.70 114.00 2dmw s GLU 78 Ca 0.62 1.53 -0.15 0.00 0.36 0.00 0.00 54.97 57.32 2dmw s GLU 78 Cb -0.70 -3.36 0.09 0.00 0.26 0.00 0.00 34.13 30.42 2dmw s GLU 78 CO 0.59 0.14 1.75 0.00 -0.54 0.00 0.00 175.26 177.20 2dmw h ARG 79 N 5.62 0.30 -0.38 4.30 2.47 -1.92 -2.38 114.38 122.40 2dmw h ARG 79 Ca -0.43 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.32 2dmw h ARG 79 Cb 1.21 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 29.42 2dmw h ARG 79 CO 0.73 0.20 0.10 1.03 0.56 0.00 0.00 179.97 182.59 2dmw h SER 80 N 0.31 0.07 0.15 7.04 0.87 -1.99 -2.23 113.55 117.77 2dmw h SER 80 Ca 0.18 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 2dmw h SER 80 Cb 0.16 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 2dmw h SER 80 CO -0.18 0.07 -0.45 0.03 -0.53 0.00 0.00 176.83 175.77 2dmw h ARG 81 N 0.24 -0.67 -0.18 2.24 2.47 -1.85 0.15 114.38 116.77 2dmw h ARG 81 Ca 0.18 0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.98 2dmw h ARG 81 Cb 0.19 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 2dmw h ARG 81 CO -0.21 -0.45 -0.55 0.00 0.56 0.00 0.00 179.97 179.32 2dmw h ALA 82 N -0.29 -0.88 -0.99 0.04 0.00 -1.20 -0.23 119.26 115.71 2dmw h ALA 82 Ca 0.01 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.02 2dmw h ALA 82 Cb 0.71 1.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 2dmw h ALA 82 CO -0.24 -1.09 0.62 0.74 0.00 0.00 0.00 179.25 179.28 2dmw h PHE 83 N -0.55 1.06 0.34 0.00 0.04 -1.20 -2.38 116.94 114.24 2dmw h PHE 83 Ca 0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2dmw h PHE 83 Cb 0.67 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 2dmw h PHE 83 CO -0.61 0.34 -0.31 -0.97 -0.60 0.00 0.00 178.31 176.16 2dmw h ASN 84 N 0.85 -0.84 -0.54 2.17 -1.24 0.10 0.36 115.58 116.44 2dmw h ASN 84 Ca 0.52 0.06 0.10 0.00 0.71 0.00 0.00 56.30 57.69 2dmw h ASN 84 Cb 0.71 0.27 -0.11 0.00 0.73 0.00 0.00 38.32 39.92 2dmw h ASN 84 CO -0.30 -0.42 -0.34 0.15 -1.29 0.00 0.00 177.43 175.23 2dmw h PHE 85 N -0.64 -0.94 -0.70 0.67 3.57 -0.95 0.84 116.94 118.79 2dmw h PHE 85 Ca -0.04 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.64 2dmw h PHE 85 Cb 0.55 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 2dmw h PHE 85 CO -0.16 -0.38 0.29 -0.07 -2.23 0.00 0.00 178.31 175.76 2dmw h LEU 86 N -0.19 0.30 -0.97 0.59 3.38 -1.30 -0.51 115.31 116.61 2dmw h LEU 86 Ca 0.21 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.29 2dmw h LEU 86 Cb 0.55 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2dmw h LEU 86 CO -0.64 0.15 0.64 0.78 0.09 0.00 0.00 178.44 179.46 2dmw h ASN 87 N 0.47 1.10 0.33 -0.43 4.21 0.13 0.51 115.58 121.90 2dmw h ASN 87 Ca 0.37 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.84 2dmw h ASN 87 Cb 0.50 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.43 2dmw h ASN 87 CO -0.35 0.78 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.09 2dmw h GLU 88 N 1.29 -0.43 -0.49 0.81 5.08 0.46 -0.67 114.58 120.63 2dmw h GLU 88 Ca 0.36 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2dmw h GLU 88 Cb -0.11 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2dmw h GLU 88 CO -0.09 -0.29 0.32 -0.84 -1.00 0.00 0.00 179.01 177.12 2dmw h ILE 89 N -0.45 1.10 -0.12 3.13 3.07 -1.38 -1.30 117.51 121.56 2dmw h ILE 89 Ca -0.05 -0.22 0.01 0.00 1.55 0.00 0.00 64.86 66.16 2dmw h ILE 89 Cb 0.34 0.42 -0.01 0.00 -0.27 0.00 0.00 36.82 37.30 2dmw h ILE 89 CO 0.07 0.11 0.04 0.50 -1.05 0.00 0.00 178.15 177.83 2dmw h LYS 90 N 0.63 0.10 -0.16 0.16 3.64 0.10 0.77 116.57 121.80 2dmw h LYS 90 Ca 0.18 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 2dmw h LYS 90 Cb -0.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2dmw h LYS 90 CO -0.04 0.06 -0.39 0.87 -2.27 0.00 0.00 179.45 177.69 2dmw h LYS 91 N 0.10 0.35 0.00 1.90 1.57 -0.67 -2.00 116.57 117.83 2dmw h LYS 91 Ca 0.05 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 2dmw h LYS 91 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2dmw h LYS 91 CO -0.05 0.69 -0.41 0.00 -0.57 0.00 0.00 179.45 179.11 2dmw h ARG 92 N 0.30 0.00 0.02 3.15 3.08 -0.80 0.32 114.38 120.45 2dmw h ARG 92 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2dmw h ARG 92 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2dmw h ARG 92 CO 0.07 0.41 -0.16 0.35 -1.07 0.00 0.00 179.97 179.56 2dmw h PHE 93 N 0.00 0.12 0.00 3.04 3.57 -0.56 -1.94 116.94 121.17 2dmw h PHE 93 Ca -0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 2dmw h PHE 93 Cb 0.81 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 2dmw h PHE 93 CO 0.00 1.02 -0.08 -0.56 -2.23 0.00 0.00 178.31 176.46 2dmw h GLN 94 N -0.81 0.00 0.11 1.11 3.07 -1.37 0.61 115.11 117.83 2dmw h GLN 94 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.40 2dmw h GLN 94 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.63 2dmw h GLN 94 CO 0.03 0.08 -1.58 1.15 0.09 0.00 0.00 178.83 178.60 2dmw h THR 95 N 0.00 1.09 0.00 1.86 2.02 -1.00 -3.15 112.91 113.73 2dmw h THR 95 Ca -0.00 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.42 2dmw h THR 95 Cb 0.64 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 2dmw h THR 95 CO 0.01 0.80 -0.50 0.41 0.37 0.00 0.00 175.52 176.61 2dmw n THR 96 N -3.42 0.80 -1.31 3.16 -1.04 -0.73 -4.63 114.28 107.10 2dmw n THR 96 Ca -0.17 0.31 -0.30 0.00 -2.04 0.00 0.00 64.05 61.85 2dmw n THR 96 Cb 1.04 -1.96 0.12 0.00 -1.82 0.00 0.00 70.33 67.72 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 -3.54 3.10 0.10 -1.42 4.01 0.17 -4.66 117.16 114.92 2dmw n TYR 97 Ca -0.07 -2.51 -0.05 0.00 -0.16 0.00 0.00 57.90 55.11 2dmw n TYR 97 Cb 0.26 -1.20 -0.02 0.00 -0.31 0.00 0.00 39.34 38.06 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 1.58 -0.32 -0.19 2.72 0.00 -0.12 -2.43 103.07 104.31 2dmw h GLY 98 Ca 0.60 0.12 0.19 0.00 0.00 0.00 0.00 47.33 48.24 2dmw h GLY 98 CO 1.35 -0.12 0.22 1.76 0.00 0.00 0.00 176.54 179.76 2dmw h SER 99 N -0.64 0.05 -0.53 0.19 0.02 -1.83 0.35 113.55 111.16 2dmw h SER 99 Ca -0.03 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2dmw h SER 99 Cb 0.23 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2dmw h SER 99 CO 0.05 -0.06 0.28 0.03 -1.14 0.00 0.00 176.83 175.99 2dmw h ARG 100 N 0.28 0.79 0.00 3.45 -0.00 -1.89 -1.30 114.38 115.70 2dmw h ARG 100 Ca 0.47 -0.09 0.00 0.00 -0.50 0.00 0.00 59.98 59.86 2dmw h ARG 100 Cb 0.86 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.67 2dmw h ARG 100 CO -0.55 0.61 0.16 0.00 0.00 0.00 0.00 179.97 180.18 2dmw h ALA 101 N 1.52 1.12 0.00 0.04 0.00 0.23 1.43 119.26 123.59 2dmw h ALA 101 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 2dmw h ALA 101 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2dmw h ALA 101 CO -0.03 -0.12 -2.09 1.04 0.00 0.00 0.00 179.25 178.05 2dmw n GLN 102 N -2.31 0.89 -0.00 0.00 1.13 -0.51 -4.81 117.38 111.77 2dmw n GLN 102 Ca -0.01 -0.07 -0.03 0.00 -1.94 0.00 0.00 57.00 54.95 2dmw n GLN 102 Cb 0.19 -1.46 -0.01 0.00 0.11 0.00 0.00 30.24 29.07 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 -2.47 1.05 -1.07 5.09 -2.24 0.40 -5.04 114.28 109.99 2dmw n THR 103 Ca -0.19 0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.50 2dmw n THR 103 Cb 0.86 -1.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.33 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 -3.57 -2.44 -1.16 6.98 0.00 0.46 -4.90 120.51 115.88 2dmw n ALA 104 Ca -0.04 0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 2dmw n ALA 104 Cb 0.16 -1.23 0.18 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.76 0.28 0.36 0.00 0.04 -1.26 -4.77 135.00 128.89 2dmw s PRO 105 Ca 0.49 0.47 -0.27 0.00 0.04 0.00 0.00 61.00 61.74 2dmw s PRO 105 Cb -0.72 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 2dmw s PRO 105 CO 0.43 -2.82 1.21 -1.25 0.04 0.00 0.00 177.00 174.60 2dmw s PRO 106 N -4.97 4.25 -1.15 0.56 0.04 -1.26 -3.49 135.00 128.98 2dmw s PRO 106 Ca 0.66 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 2dmw s PRO 106 Cb -0.19 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2dmw s PRO 106 CO 0.58 -0.19 0.98 0.66 0.04 0.00 0.00 177.00 179.07 2dmw n TYR 107 N 0.51 -2.27 -0.10 0.56 4.02 -1.16 -4.94 117.16 113.77 2dmw n TYR 107 Ca 0.02 0.89 -0.20 0.00 -0.01 0.00 0.00 57.90 58.60 2dmw n TYR 107 Cb 0.44 -4.75 -0.07 0.00 -0.02 0.00 0.00 39.34 34.95 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 -4.26 1.63 -1.12 -0.72 0.00 -1.23 -4.60 120.51 110.21 2dmw n ALA 108 Ca -0.14 -0.79 -0.27 0.00 0.00 0.00 0.00 53.44 52.24 2dmw n ALA 108 Cb 0.61 0.21 0.11 0.00 0.00 0.00 0.00 19.45 20.38 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 -3.97 2.32 0.06 0.00 2.81 -1.26 -4.45 117.12 112.64 2dmw n MET 109 Ca -0.36 -2.80 -0.11 0.00 -1.81 0.00 0.00 57.70 52.62 2dmw n MET 109 Cb 0.73 -2.10 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 2dmw n MET 109 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2dmw h ASN 110 N 1.45 0.47 0.19 7.83 7.08 -1.81 -2.78 115.58 128.01 2dmw h ASN 110 Ca 0.55 -0.36 -0.01 0.00 -3.08 0.00 0.00 56.30 53.40 2dmw h ASN 110 Cb 1.63 -0.14 0.00 0.00 -2.08 0.00 0.00 38.32 37.73 2dmw h ASN 110 CO 1.22 1.14 -0.09 0.28 -2.08 0.00 0.00 177.43 177.90 2dmw h SER 111 N 0.22 -0.22 -0.45 6.14 0.02 -1.93 0.95 113.55 118.28 2dmw h SER 111 Ca -0.06 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2dmw h SER 111 Cb 1.48 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.98 2dmw h SER 111 CO 0.15 -0.05 -0.36 -0.33 -1.14 0.00 0.00 176.83 175.10 2dmw h GLU 112 N -0.46 -0.24 0.02 3.45 4.39 -1.89 -1.65 114.58 118.19 2dmw h GLU 112 Ca -0.03 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2dmw h GLU 112 Cb 0.20 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2dmw h GLU 112 CO 0.04 -0.16 -0.01 0.35 -1.16 0.00 0.00 179.01 178.07 2dmw h PHE 113 N -0.25 -0.02 -0.99 4.33 3.57 -1.62 -2.40 116.94 119.55 2dmw h PHE 113 Ca 0.18 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.92 2dmw h PHE 113 Cb 0.55 0.01 -0.19 0.00 2.79 0.00 0.00 35.95 39.12 2dmw h PHE 113 CO -0.59 0.02 -0.08 1.03 -2.23 0.00 0.00 178.31 176.46 2dmw h SER 114 N -0.06 -0.65 0.01 0.41 0.87 0.12 0.32 113.55 114.57 2dmw h SER 114 Ca -0.00 0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2dmw h SER 114 Cb 0.05 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2dmw h SER 114 CO 0.00 -0.35 -0.01 -1.28 -0.53 0.00 0.00 176.83 174.67 2dmw h SER 115 N 0.00 -0.01 -0.09 6.23 0.87 -1.17 -2.31 113.55 117.07 2dmw h SER 115 Ca 0.56 -0.40 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2dmw h SER 115 Cb 1.05 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.95 2dmw h SER 115 CO -0.96 0.39 -0.33 0.58 -0.53 0.00 0.00 176.83 175.98 2dmw h VAL 116 N -0.42 0.28 -0.30 2.23 2.07 -0.10 -2.17 116.25 117.84 2dmw h VAL 116 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2dmw h VAL 116 Cb 0.41 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2dmw h VAL 116 CO 0.00 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.48 2dmw h LEU 117 N -0.43 -0.21 -0.76 2.57 3.38 -0.60 -1.93 115.31 117.32 2dmw h LEU 117 Ca 0.08 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.31 2dmw h LEU 117 Cb 0.56 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.33 2dmw h LEU 117 CO -0.33 -0.07 0.01 0.00 0.09 0.00 0.00 178.44 178.15 2dmw h ALA 118 N 1.28 0.80 -0.56 1.53 0.00 -0.84 0.34 119.26 121.81 2dmw h ALA 118 Ca 0.14 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 2dmw h ALA 118 Cb 0.21 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2dmw h ALA 118 CO -0.28 -0.42 0.09 0.00 0.00 0.00 0.00 179.25 178.64 2dmw h ALA 119 N 1.71 1.09 -0.41 0.00 0.00 -0.78 -1.94 119.26 118.93 2dmw h ALA 119 Ca 0.42 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2dmw h ALA 119 Cb 0.74 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2dmw h ALA 119 CO -0.67 0.59 0.03 1.96 0.00 0.00 0.00 179.25 181.16 2dmw h GLN 120 N 0.86 0.71 0.07 0.00 1.08 0.24 -0.88 115.11 117.19 2dmw h GLN 120 Ca 0.18 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2dmw h GLN 120 Cb 0.39 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2dmw h GLN 120 CO 0.01 0.78 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.56 2dmw h LEU 121 N 0.55 -0.08 -0.65 1.46 3.38 -0.51 -1.33 115.31 118.13 2dmw h LEU 121 Ca 0.12 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dmw h LEU 121 Cb 0.44 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2dmw h LEU 121 CO 0.02 0.06 0.42 0.11 0.09 0.00 0.00 178.44 179.14 2dmw h LYS 122 N -0.22 0.83 0.51 1.13 1.57 -1.34 0.23 116.57 119.30 2dmw h LYS 122 Ca -0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2dmw h LYS 122 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2dmw h LYS 122 CO 0.02 0.55 -0.33 1.25 -0.57 0.00 0.00 179.45 180.37 2dmw h HIS 123 N 0.86 -0.88 0.60 -1.35 2.76 -1.02 -3.29 115.15 112.84 2dmw h HIS 123 Ca 0.25 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 2dmw h HIS 123 Cb -0.07 0.32 0.01 0.00 1.55 0.00 0.00 27.41 29.21 2dmw h HIS 123 CO -0.03 -0.50 -0.29 0.45 -1.30 0.00 0.00 177.93 176.25 2dmw h HIS 124 N -0.81 -0.75 -2.73 5.26 3.86 -1.10 -3.42 115.15 115.46 2dmw h HIS 124 Ca -0.06 -0.02 -0.54 0.00 -1.16 0.00 0.00 60.37 58.59 2dmw h HIS 124 Cb 0.67 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2dmw h HIS 124 CO -0.11 -0.47 0.98 -1.12 0.86 0.00 0.00 177.93 178.07 2dmw s SER 125 N -3.57 6.71 0.14 2.45 0.01 0.81 -4.91 113.70 115.34 2dmw s SER 125 Ca -0.12 2.26 -0.17 0.00 1.31 0.00 0.00 55.95 59.23 2dmw s SER 125 Cb 0.01 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2dmw s SER 125 CO 0.36 -0.85 1.77 -1.28 0.41 0.00 0.00 173.24 173.64 2dmw h SER 126 N 8.62 0.20 0.00 2.44 0.87 -1.80 -3.42 113.55 120.46 2dmw h SER 126 Ca -0.39 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2dmw h SER 126 Cb 1.18 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2dmw h SER 126 CO 0.93 0.15 0.00 0.61 -0.53 0.00 0.00 176.83 178.00 2dmw n GLY 127 N -1.19 0.12 0.10 5.77 0.00 -1.26 -5.01 105.19 103.71 2dmw n GLY 127 Ca -0.00 0.50 0.11 0.00 0.00 0.00 0.00 46.02 46.62 2dmw n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmw n PRO 128 N 0.00 0.15 -2.73 1.61 -0.04 -1.26 -4.76 135.00 127.96 2dmw n PRO 128 Ca 0.00 0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 63.60 2dmw n PRO 128 Cb 0.00 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 2dmw n PRO 128 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmw s SER 129 N -3.93 5.80 0.66 3.54 0.15 -1.26 -5.06 113.70 113.60 2dmw s SER 129 Ca 0.05 0.52 -0.16 0.00 0.70 0.00 0.00 55.95 57.06 2dmw s SER 129 Cb 0.09 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2dmw s SER 129 CO 0.35 -0.81 1.18 -0.44 1.20 0.00 0.00 173.24 174.72 2dmw s SER 130 N -4.23 4.81 0.00 5.45 0.01 -1.26 -5.20 113.70 113.28 2dmw s SER 130 Ca 0.50 2.26 0.00 0.00 1.31 0.00 0.00 55.95 60.02 2dmw s SER 130 Cb -0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2dmw s SER 130 CO 0.41 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.83