#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 6.26 -0.43 1.61 0.15 -1.26 -5.07 113.70 114.96 2dmw s SER 2 Ca 0.00 0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.97 2dmw s SER 2 Cb 0.00 -1.94 0.14 0.00 -1.71 0.00 0.00 66.02 62.51 2dmw s SER 2 CO 0.00 0.25 0.24 -0.55 1.20 0.00 0.00 173.24 174.38 2dmw s SER 3 N -2.00 3.51 0.00 5.45 0.15 -1.26 -4.99 113.70 114.57 2dmw s SER 3 Ca 0.28 -2.59 0.00 0.00 0.70 0.00 0.00 55.95 54.34 2dmw s SER 3 Cb -0.13 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2dmw s SER 3 CO 0.19 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dmw n GLY 4 N 3.57 0.60 3.37 9.45 0.00 -1.26 -5.03 105.19 115.89 2dmw n GLY 4 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.00 3.60 -0.32 1.61 0.15 -1.26 -5.10 113.70 111.38 2dmw s SER 5 Ca 0.00 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 56.25 2dmw s SER 5 Cb 0.00 -0.95 0.04 0.00 -1.71 0.00 0.00 66.02 63.41 2dmw s SER 5 CO 0.00 0.27 0.04 -0.94 1.20 0.00 0.00 173.24 173.82 2dmw s SER 6 N -0.31 5.07 0.00 5.45 1.04 -1.26 -4.98 113.70 118.71 2dmw s SER 6 Ca 0.02 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2dmw s SER 6 Cb -0.13 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.21 2dmw s SER 6 CO 0.02 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2dmw n GLY 7 N 4.71 -1.37 3.12 7.32 0.00 -1.26 -4.95 105.19 112.76 2dmw n GLY 7 Ca -0.13 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 2dmw n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dmw s MET 8 N 0.00 2.06 -0.20 1.61 0.00 -1.26 -4.88 119.30 116.64 2dmw s MET 8 Ca 0.00 -1.66 -0.32 0.00 0.00 0.00 0.00 55.69 53.71 2dmw s MET 8 Cb 0.00 -3.42 0.15 0.00 0.00 0.00 0.00 34.83 31.56 2dmw s MET 8 CO 0.00 -0.92 1.18 0.00 0.00 0.00 0.00 175.02 175.28 2dmw s ALA 9 N 1.14 -2.04 0.44 3.16 0.00 -1.26 -4.97 121.76 118.22 2dmw s ALA 9 Ca 0.05 1.63 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 2dmw s ALA 9 Cb -0.21 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.30 2dmw s ALA 9 CO -0.04 -0.46 1.25 0.42 0.00 0.00 0.00 175.76 176.93 2dmw s ILE 10 N -1.87 2.78 0.00 0.00 1.01 -1.26 -4.59 121.20 117.27 2dmw s ILE 10 Ca 0.07 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2dmw s ILE 10 Cb -0.01 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2dmw s ILE 10 CO -0.04 0.05 0.00 0.18 0.00 0.00 0.00 174.94 175.13 2dmw n LEU 11 N -0.19 0.04 -4.63 2.97 4.77 -1.21 -4.86 117.00 113.90 2dmw n LEU 11 Ca 0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 2dmw n LEU 11 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2dmw n LEU 11 CO 0.52 -0.15 -0.27 0.12 -1.33 0.00 0.00 177.39 176.29 2dmw s PHE 12 N -1.99 3.23 -0.29 -1.77 2.19 -1.22 -2.97 117.98 115.15 2dmw s PHE 12 Ca 0.00 0.04 -0.04 0.00 0.33 0.00 0.00 56.93 57.27 2dmw s PHE 12 Cb 0.00 -2.04 0.16 0.00 -1.31 0.00 0.00 43.02 39.83 2dmw s PHE 12 CO 0.00 0.16 0.58 0.00 1.83 0.00 0.00 175.22 177.80 2dmw s ALA 13 N 0.25 -2.04 0.16 11.12 0.00 -1.25 -1.56 121.76 128.44 2dmw s ALA 13 Ca 0.03 1.87 0.01 0.00 0.00 0.00 0.00 51.96 53.87 2dmw s ALA 13 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 2dmw s ALA 13 CO 0.01 -1.19 0.01 0.14 0.00 0.00 0.00 175.76 174.72 2dmw s VAL 14 N 2.83 0.53 -0.23 0.00 -7.23 -1.10 -3.84 120.40 111.37 2dmw s VAL 14 Ca 0.12 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2dmw s VAL 14 Cb -0.14 -2.06 0.05 0.00 0.56 0.00 0.00 36.38 34.78 2dmw s VAL 14 CO -0.20 -0.51 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.27 2dmw s VAL 15 N -3.75 2.00 -0.02 1.32 1.01 -0.97 -2.82 120.40 117.16 2dmw s VAL 15 Ca 0.23 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2dmw s VAL 15 Cb 0.06 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2dmw s VAL 15 CO 0.03 0.14 -0.13 0.00 0.00 0.00 0.00 175.10 175.14 2dmw s ALA 16 N 1.22 1.14 -0.06 5.51 0.00 -0.59 -2.48 121.76 126.49 2dmw s ALA 16 Ca -0.04 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2dmw s ALA 16 Cb -0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2dmw s ALA 16 CO -0.08 0.24 -0.17 -0.98 0.00 0.00 0.00 175.76 174.77 2dmw s ARG 17 N -0.09 2.63 -0.59 0.00 1.70 0.19 -2.22 118.95 120.56 2dmw s ARG 17 Ca 0.01 -0.75 -0.03 0.00 -0.47 0.00 0.00 55.73 54.49 2dmw s ARG 17 Cb -0.08 -2.35 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 2dmw s ARG 17 CO 0.00 0.51 0.41 0.41 -1.08 0.00 0.00 175.30 175.55 2dmw n GLY 18 N 2.64 -0.85 3.86 3.88 0.00 -1.26 -0.10 105.19 113.36 2dmw n GLY 18 Ca -0.17 0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 2dmw n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmw n THR 19 N -2.14 -3.80 -3.31 2.61 -2.24 -1.26 -4.97 114.28 99.17 2dmw n THR 19 Ca -0.20 -0.57 -0.05 0.00 -2.27 0.00 0.00 64.05 60.95 2dmw n THR 19 Cb 0.46 -3.15 -0.06 0.00 -2.10 0.00 0.00 70.33 65.48 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 -3.82 -0.72 -0.57 4.28 2.01 0.86 -5.07 115.64 112.61 2dmw s THR 20 Ca 0.08 -0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 2dmw s THR 20 Cb -0.03 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.66 2dmw s THR 20 CO 0.87 -0.08 0.95 -0.63 -0.69 0.00 0.00 174.62 175.04 2dmw s ILE 21 N 2.64 4.37 -0.04 1.82 1.01 -1.26 0.53 121.20 130.26 2dmw s ILE 21 Ca 0.14 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.78 2dmw s ILE 21 Cb -0.15 -4.56 -0.24 0.00 0.01 0.00 0.00 42.46 37.51 2dmw s ILE 21 CO -0.17 -1.17 1.03 -0.07 0.00 0.00 0.00 174.94 174.56 2dmw h LEU 22 N 11.06 0.32 -7.23 2.97 3.38 -1.87 -3.30 115.31 120.64 2dmw h LEU 22 Ca -0.26 -0.79 -0.28 0.00 0.09 0.00 0.00 57.88 56.64 2dmw h LEU 22 Cb 1.07 -0.10 -0.35 0.00 0.09 0.00 0.00 40.66 41.37 2dmw h LEU 22 CO 1.10 1.07 -0.61 0.00 0.09 0.00 0.00 178.44 180.09 2dmw s ALA 23 N -3.07 -0.25 -0.06 1.53 0.00 -1.22 -2.99 121.76 115.71 2dmw s ALA 23 Ca -0.15 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.50 2dmw s ALA 23 Cb 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 2dmw s ALA 23 CO 0.77 -0.60 -0.24 -1.59 0.00 0.00 0.00 175.76 174.10 2dmw s LYS 24 N 2.32 2.48 -0.26 0.00 -2.85 -1.26 -2.30 119.74 117.87 2dmw s LYS 24 Ca 0.03 -0.87 -0.01 0.00 -1.00 0.00 0.00 55.97 54.11 2dmw s LYS 24 Cb -0.12 -2.10 0.15 0.00 -2.06 0.00 0.00 37.83 33.70 2dmw s LYS 24 CO -0.07 0.36 0.44 -1.58 0.10 0.00 0.00 175.35 174.60 2dmw s HIS 25 N -0.13 -1.06 0.23 1.78 2.46 -1.25 -4.89 115.29 112.43 2dmw s HIS 25 Ca -0.04 0.96 0.03 0.00 0.47 0.00 0.00 55.06 56.48 2dmw s HIS 25 Cb -0.14 0.13 -0.05 0.00 -0.13 0.00 0.00 32.58 32.39 2dmw s HIS 25 CO 0.04 -0.81 0.01 0.00 -2.47 0.00 0.00 174.74 171.51 2dmw s ALA 26 N 2.63 1.79 0.58 1.58 0.00 -1.26 -3.88 121.76 123.20 2dmw s ALA 26 Ca 0.14 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 2dmw s ALA 26 Cb -0.15 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2dmw s ALA 26 CO -0.19 -0.27 1.09 -1.58 0.00 0.00 0.00 175.76 174.80 2dmw s TRP 27 N -3.46 2.81 -0.46 0.00 0.52 -1.16 -4.97 118.94 112.23 2dmw s TRP 27 Ca 0.29 1.54 -0.29 0.00 0.02 0.00 0.00 56.10 57.66 2dmw s TRP 27 Cb 0.06 -3.13 0.03 0.00 -1.15 0.00 0.00 33.47 29.27 2dmw s TRP 27 CO 0.09 -1.34 1.18 0.00 0.02 0.00 0.00 176.95 176.91 2dmw n GLY 29 N 4.83 -1.74 0.00 0.00 0.00 -1.26 -4.93 105.19 102.08 2dmw n GLY 29 Ca 0.13 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 2.48 3.36 -0.02 0.00 -1.26 -4.97 105.19 104.78 2dmw n GLY 30 Ca 0.00 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 0.00 5.84 -0.19 1.61 2.47 -1.26 -4.90 114.94 118.51 2dmw s ASN 31 Ca 0.00 -1.16 0.04 0.00 0.42 0.00 0.00 52.86 52.16 2dmw s ASN 31 Cb 0.00 -2.06 -0.15 0.00 -1.45 0.00 0.00 41.25 37.59 2dmw s ASN 31 CO 0.00 -0.48 -0.13 0.49 -3.72 0.00 0.00 177.10 173.26 2dmw n PHE 32 N 5.04 0.00 -0.35 0.43 3.72 -1.26 -4.44 117.46 120.60 2dmw n PHE 32 Ca -0.11 0.00 0.35 0.00 -0.05 0.00 0.00 57.45 57.64 2dmw n PHE 32 Cb 0.45 -0.78 0.55 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.08 4.37 5.85 -1.98 -0.07 115.31 123.56 2dmw h LEU 33 Ca -0.45 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 2dmw h LEU 33 Cb 1.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.79 2dmw h LEU 33 CO -0.05 0.00 -0.04 -0.08 -0.34 0.00 0.00 178.44 177.93 2dmw h GLU 34 N 0.00 -0.10 -0.48 1.25 4.81 -2.00 -1.25 114.58 116.81 2dmw h GLU 34 Ca 0.61 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.96 2dmw h GLU 34 Cb 3.13 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 32.51 2dmw h GLU 34 CO -0.01 -0.07 0.33 -0.24 -0.73 0.00 0.00 179.01 178.30 2dmw h VAL 35 N -0.13 0.84 0.21 0.32 3.04 -1.34 -2.14 116.25 117.06 2dmw h VAL 35 Ca -0.01 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 2dmw h VAL 35 Cb 0.08 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 2dmw h VAL 35 CO 0.02 0.03 -0.10 0.74 -1.01 0.00 0.00 177.57 177.25 2dmw h THR 36 N 0.17 0.86 -0.88 3.17 2.02 -1.23 -2.15 112.91 114.88 2dmw h THR 36 Ca 0.22 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.07 2dmw h THR 36 Cb 0.66 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 2dmw h THR 36 CO -0.03 0.09 0.56 -0.33 0.37 0.00 0.00 175.52 176.17 2dmw h GLU 37 N -0.46 1.04 -0.57 6.66 5.08 -0.60 -1.10 114.58 124.62 2dmw h GLU 37 Ca -0.03 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2dmw h GLU 37 Cb 0.35 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2dmw h GLU 37 CO 0.05 0.69 0.34 1.96 -1.00 0.00 0.00 179.01 181.05 2dmw h GLN 38 N 1.08 0.66 -0.40 2.33 1.08 -1.31 -2.28 115.11 116.27 2dmw h GLN 38 Ca 0.36 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.46 2dmw h GLN 38 Cb 0.05 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2dmw h GLN 38 CO -0.13 0.43 0.01 0.82 -0.95 0.00 0.00 178.83 179.02 2dmw h ILE 39 N 0.68 1.26 -0.47 2.54 1.08 -0.80 -3.11 117.51 118.68 2dmw h ILE 39 Ca 0.23 -0.98 0.09 0.00 -0.39 0.00 0.00 64.86 63.82 2dmw h ILE 39 Cb 0.03 1.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.82 2dmw h ILE 39 CO -0.11 0.33 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.62 2dmw h LEU 40 N 0.52 -0.20 -0.83 1.44 3.38 -0.85 0.43 115.31 119.21 2dmw h LEU 40 Ca 0.11 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dmw h LEU 40 Cb 0.45 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2dmw h LEU 40 CO 0.02 -0.07 0.14 0.00 0.09 0.00 0.00 178.44 178.62 2dmw n ALA 41 N -2.64 0.82 -0.09 1.53 0.00 -0.89 -0.73 120.51 118.51 2dmw n ALA 41 Ca 0.05 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2dmw n ALA 41 Cb 0.25 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.94 1.08 -2.11 0.00 5.02 0.13 -4.95 118.16 115.40 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 0.16 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.42 3.44 1.18 -0.18 1.01 0.09 -5.01 121.20 119.32 2dmw s ILE 43 Ca -0.13 0.86 -0.18 0.00 0.00 0.00 0.00 60.65 61.20 2dmw s ILE 43 Cb 0.06 -3.55 0.28 0.00 0.01 0.00 0.00 42.46 39.25 2dmw s ILE 43 CO 0.66 -0.00 1.11 -2.16 0.00 0.00 0.00 174.94 174.54 2dmw s PRO 44 N 2.44 -1.07 -0.01 2.79 0.04 -1.26 -4.93 135.00 133.01 2dmw s PRO 44 Ca 0.68 -0.00 0.20 0.00 0.04 0.00 0.00 61.00 61.91 2dmw s PRO 44 Cb -0.35 -1.61 -0.24 0.00 0.04 0.00 0.00 34.50 32.35 2dmw s PRO 44 CO 0.29 -3.62 0.78 -1.13 0.04 0.00 0.00 177.00 173.35 2dmw n SER 45 N -4.71 0.82 -4.77 6.66 3.41 -1.26 -4.97 113.62 108.81 2dmw n SER 45 Ca 0.12 -0.80 -0.38 0.00 -0.26 0.00 0.00 58.87 57.56 2dmw n SER 45 Cb 0.59 1.17 -0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 -2.98 3.79 -0.57 4.33 2.02 -1.26 -4.62 118.70 119.40 2dmw s GLU 46 Ca 0.05 1.91 -0.26 0.00 0.02 0.00 0.00 54.97 56.69 2dmw s GLU 46 Cb 0.15 -2.51 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 2dmw s GLU 46 CO 0.83 -0.56 2.20 -0.80 0.02 0.00 0.00 175.26 176.95 2dmw s ASN 47 N -1.15 4.71 -0.28 -0.19 0.01 -1.26 -4.87 114.94 111.91 2dmw s ASN 47 Ca 0.62 0.69 -0.23 0.00 -0.71 0.00 0.00 52.86 53.23 2dmw s ASN 47 Cb -0.32 -2.52 0.12 0.00 0.41 0.00 0.00 41.25 38.94 2dmw s ASN 47 CO 0.40 -2.77 0.99 0.21 -1.51 0.00 0.00 177.10 174.42 2dmw s ASN 48 N 10.57 -0.49 0.23 -1.22 2.47 -1.26 -5.04 114.94 120.19 2dmw s ASN 48 Ca 0.86 0.92 0.09 0.00 0.42 0.00 0.00 52.86 55.15 2dmw s ASN 48 Cb -0.15 0.98 -0.04 0.00 -1.45 0.00 0.00 41.25 40.59 2dmw s ASN 48 CO 0.22 -0.16 -0.03 -1.59 -3.72 0.00 0.00 177.10 171.82 2dmw s LYS 49 N 0.44 2.24 -0.27 0.43 -2.85 -1.26 -4.17 119.74 114.30 2dmw s LYS 49 Ca 0.01 -1.35 -0.25 0.00 -1.00 0.00 0.00 55.97 53.37 2dmw s LYS 49 Cb -0.05 -2.17 0.09 0.00 -2.06 0.00 0.00 37.83 33.63 2dmw s LYS 49 CO -0.07 0.39 0.82 -1.17 0.10 0.00 0.00 175.35 175.42 2dmw s LEU 50 N -3.38 -0.65 -0.47 2.77 0.20 -1.26 -5.10 118.68 110.80 2dmw s LEU 50 Ca 0.29 1.23 -0.27 0.00 0.69 0.00 0.00 54.13 56.07 2dmw s LEU 50 Cb -0.07 2.27 0.03 0.00 -0.43 0.00 0.00 46.19 47.99 2dmw s LEU 50 CO 0.18 -0.23 1.02 -0.89 -0.29 0.00 0.00 176.35 176.15 2dmw s THR 51 N 0.27 4.35 -0.23 3.68 2.01 -1.26 -4.19 115.64 120.27 2dmw s THR 51 Ca 0.01 0.96 -0.08 0.00 0.31 0.00 0.00 61.69 62.89 2dmw s THR 51 Cb -0.05 -4.51 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2dmw s THR 51 CO -0.01 -0.91 0.10 -0.47 -0.69 0.00 0.00 174.62 172.64 2dmw s TYR 52 N 4.07 3.19 -0.34 4.92 6.14 -0.65 -5.01 117.35 129.68 2dmw s TYR 52 Ca 0.42 -0.07 -0.10 0.00 0.64 0.00 0.00 57.07 57.95 2dmw s TYR 52 Cb -0.09 -2.21 0.01 0.00 0.42 0.00 0.00 41.96 40.09 2dmw s TYR 52 CO 0.29 -0.10 0.18 -1.54 0.64 0.00 0.00 175.55 175.02 2dmw s SER 53 N 1.15 5.66 -0.25 4.32 1.04 -1.26 0.35 113.70 124.71 2dmw s SER 53 Ca 0.05 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2dmw s SER 53 Cb -0.14 -2.02 0.05 0.00 0.10 0.00 0.00 66.02 64.01 2dmw s SER 53 CO 0.04 -0.29 -0.12 -2.28 0.98 0.00 0.00 173.24 171.57 2dmw s HIS 54 N 1.59 3.21 0.00 5.02 2.46 -0.94 -4.98 115.29 121.64 2dmw s HIS 54 Ca 0.03 -2.24 0.00 0.00 0.47 0.00 0.00 55.06 53.32 2dmw s HIS 54 Cb -0.18 -1.93 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 2dmw s HIS 54 CO 0.07 -0.87 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 2dmw n GLY 55 N 4.46 2.05 1.75 1.59 0.00 -1.26 -2.15 105.19 111.63 2dmw n GLY 55 Ca -0.15 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.93 5.99 -3.73 1.61 4.13 -1.26 -4.83 115.26 116.23 2dmw n ASN 56 Ca 0.00 -2.83 -0.13 0.00 1.68 0.00 0.00 54.58 53.30 2dmw n ASN 56 Cb 0.00 -1.06 -0.08 0.00 -1.54 0.00 0.00 39.78 37.10 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 -1.21 -0.18 -0.13 3.10 1.51 -0.91 -4.17 117.35 115.36 2dmw s TYR 57 Ca 0.20 0.16 -0.07 0.00 -1.01 0.00 0.00 57.07 56.36 2dmw s TYR 57 Cb 0.16 0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 42.10 2dmw s TYR 57 CO -0.00 -0.48 0.12 -0.51 -1.11 0.00 0.00 175.55 173.57 2dmw s LEU 58 N -1.74 4.25 -0.41 -1.29 1.43 0.35 -2.22 118.68 119.04 2dmw s LEU 58 Ca -0.08 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2dmw s LEU 58 Cb -0.02 -2.04 0.11 0.00 0.03 0.00 0.00 46.19 44.27 2dmw s LEU 58 CO 0.00 0.37 0.16 -0.36 0.23 0.00 0.00 176.35 176.75 2dmw s PHE 59 N -0.81 3.59 -0.40 0.29 0.40 0.15 -2.67 117.98 118.55 2dmw s PHE 59 Ca 0.14 -2.88 -0.12 0.00 -0.60 0.00 0.00 56.93 53.46 2dmw s PHE 59 Cb -0.12 -3.00 0.03 0.00 0.51 0.00 0.00 43.02 40.44 2dmw s PHE 59 CO 0.03 -0.91 0.25 -1.01 0.70 0.00 0.00 175.22 174.28 2dmw s HIS 60 N 0.65 3.25 -0.05 0.36 3.76 -1.18 -1.63 115.29 120.45 2dmw s HIS 60 Ca 0.12 -0.89 0.03 0.00 -0.15 0.00 0.00 55.06 54.16 2dmw s HIS 60 Cb -0.21 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 2dmw s HIS 60 CO -0.05 -0.66 -0.12 1.52 -0.85 0.00 0.00 174.74 174.58 2dmw s TYR 61 N 1.59 2.78 -0.01 1.40 -0.85 -1.26 -3.08 117.35 117.92 2dmw s TYR 61 Ca 0.03 -0.09 0.07 0.00 -0.52 0.00 0.00 57.07 56.55 2dmw s TYR 61 Cb -0.20 -1.65 -0.02 0.00 0.38 0.00 0.00 41.96 40.47 2dmw s TYR 61 CO 0.07 0.24 -0.22 0.42 -1.52 0.00 0.00 175.55 174.55 2dmw s ILE 62 N -0.76 1.70 -0.11 -3.49 1.01 -1.08 -4.00 121.20 114.46 2dmw s ILE 62 Ca 0.12 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 2dmw s ILE 62 Cb -0.11 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 2dmw s ILE 62 CO 0.01 0.44 0.02 0.00 0.00 0.00 0.00 174.94 175.41 2dmw s GLN 64 N -0.51 0.26 -1.42 0.00 2.00 -0.78 -4.62 119.66 114.60 2dmw s GLN 64 Ca 0.09 0.48 -0.09 0.00 -2.00 0.00 0.00 55.36 53.85 2dmw s GLN 64 Cb -0.12 0.10 0.05 0.00 0.80 0.00 0.00 33.01 33.85 2dmw s GLN 64 CO 0.02 -0.06 0.63 -3.47 -0.50 0.00 0.00 175.29 171.92 2dmw n ASP 65 N 3.75 -4.72 -1.68 6.67 2.03 -1.26 -0.06 116.55 121.28 2dmw n ASP 65 Ca -0.16 -0.44 -0.16 0.00 0.52 0.00 0.00 54.79 54.56 2dmw n ASP 65 Cb 0.56 -3.84 -0.02 0.00 -0.72 0.00 0.00 41.12 37.11 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dmw n ARG 66 N -4.03 -1.22 -4.74 -0.67 5.12 -1.26 -5.00 116.66 104.86 2dmw n ARG 66 Ca -0.03 0.80 -0.29 0.00 -1.93 0.00 0.00 57.85 56.40 2dmw n ARG 66 Cb 0.56 -5.14 -0.17 0.00 -1.16 0.00 0.00 32.46 26.56 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 -2.74 1.64 -0.18 0.55 -1.09 0.92 -4.54 121.20 115.75 2dmw s ILE 67 Ca 0.00 -0.75 -0.07 0.00 -2.23 0.00 0.00 60.65 57.59 2dmw s ILE 67 Cb 0.00 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 2dmw s ILE 67 CO 0.00 0.47 0.06 -0.69 -1.23 0.00 0.00 174.94 173.55 2dmw s VAL 68 N 0.69 4.73 -0.42 2.92 1.01 -0.94 -1.86 120.40 126.52 2dmw s VAL 68 Ca -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2dmw s VAL 68 Cb -0.16 -3.13 0.11 0.00 0.00 0.00 0.00 36.38 33.20 2dmw s VAL 68 CO 0.03 0.46 0.17 -0.31 0.00 0.00 0.00 175.10 175.45 2dmw s TYR 69 N 0.40 3.57 0.21 5.22 1.51 -0.76 -1.55 117.35 125.95 2dmw s TYR 69 Ca 0.03 -2.88 -0.04 0.00 -1.01 0.00 0.00 57.07 53.17 2dmw s TYR 69 Cb -0.13 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.67 2dmw s TYR 69 CO 0.00 -0.90 0.44 -1.17 -1.11 0.00 0.00 175.55 172.82 2dmw s LEU 70 N 0.61 4.19 -0.14 -1.29 0.20 -1.13 -2.62 118.68 118.50 2dmw s LEU 70 Ca 0.12 0.60 -0.15 0.00 0.69 0.00 0.00 54.13 55.39 2dmw s LEU 70 Cb -0.21 -3.36 0.04 0.00 -0.43 0.00 0.00 46.19 42.22 2dmw s LEU 70 CO -0.05 -0.05 0.42 0.00 -0.29 0.00 0.00 176.35 176.37 2dmw s ILE 72 N 0.07 3.65 0.16 0.00 1.01 -0.60 -3.08 121.20 122.41 2dmw s ILE 72 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 2dmw s ILE 72 Cb -0.03 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 2dmw s ILE 72 CO 0.01 0.46 0.10 0.42 0.00 0.00 0.00 174.94 175.94 2dmw s THR 73 N 0.79 0.06 0.30 2.92 -4.23 -1.09 -3.36 115.64 111.04 2dmw s THR 73 Ca -0.01 -1.91 -0.27 0.00 -1.18 0.00 0.00 61.69 58.31 2dmw s THR 73 Cb -0.15 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 2dmw s THR 73 CO 0.02 -0.28 0.98 1.51 -0.54 0.00 0.00 174.62 176.30 2dmw s ASP 74 N -3.08 7.35 0.20 3.99 -4.77 -1.26 -0.50 116.67 118.60 2dmw s ASP 74 Ca 0.29 1.96 -0.21 0.00 -3.30 0.00 0.00 52.55 51.29 2dmw s ASP 74 Cb 0.07 -2.60 0.16 0.00 -1.09 0.00 0.00 42.92 39.46 2dmw s ASP 74 CO 0.05 -0.06 1.56 0.44 0.70 0.00 0.00 175.17 177.86 2dmw h ASP 75 N 3.47 -1.40 -0.79 2.11 3.32 -1.91 0.26 116.42 121.49 2dmw h ASP 75 Ca -0.46 0.28 0.27 0.00 0.02 0.00 0.00 57.03 57.13 2dmw h ASP 75 Cb 1.20 0.70 -0.14 0.00 0.22 0.00 0.00 39.33 41.31 2dmw h ASP 75 CO 0.66 -0.30 0.21 -0.67 -1.72 0.00 0.00 179.24 177.42 2dmw n ASP 76 N -5.44 0.08 -4.22 6.45 2.03 -1.26 -4.47 116.55 109.72 2dmw n ASP 76 Ca 0.07 1.33 -0.34 0.00 0.52 0.00 0.00 54.79 56.36 2dmw n ASP 76 Cb 0.37 -0.56 0.11 0.00 -0.72 0.00 0.00 41.12 40.32 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 -4.96 -2.07 -4.66 -0.67 7.35 0.92 -4.98 117.46 108.39 2dmw n PHE 77 Ca 0.24 0.23 -0.34 0.00 -0.76 0.00 0.00 57.45 56.82 2dmw n PHE 77 Cb 0.80 -1.58 -0.12 0.00 0.35 0.00 0.00 39.48 38.94 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 -3.00 2.87 0.07 -4.13 2.12 -1.26 -5.02 118.70 110.34 2dmw s GLU 78 Ca 0.50 -0.58 -0.19 0.00 0.36 0.00 0.00 54.97 55.06 2dmw s GLU 78 Cb -0.12 -2.60 -0.07 0.00 0.26 0.00 0.00 34.13 31.60 2dmw s GLU 78 CO 0.69 0.57 1.30 0.00 -0.54 0.00 0.00 175.26 177.29 2dmw h ARG 79 N 5.56 -0.29 -0.90 4.30 3.08 -1.93 -1.76 114.38 122.43 2dmw h ARG 79 Ca -0.44 0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.72 2dmw h ARG 79 Cb 1.18 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 31.18 2dmw h ARG 79 CO 0.54 -0.20 -0.50 0.45 -1.07 0.00 0.00 179.97 179.19 2dmw n SER 80 N -4.16 -0.89 -0.13 7.04 2.88 -1.26 -0.23 113.62 116.88 2dmw n SER 80 Ca -0.03 1.60 -0.08 0.00 -1.33 0.00 0.00 58.87 59.03 2dmw n SER 80 Cb 0.21 -0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 2dmw n SER 80 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dmw h ARG 81 N 0.00 -0.25 -0.03 -1.46 3.08 -1.87 0.23 114.38 114.08 2dmw h ARG 81 Ca 0.17 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2dmw h ARG 81 Cb 0.40 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 2dmw h ARG 81 CO -0.86 -0.17 -0.43 0.00 -1.07 0.00 0.00 179.97 177.44 2dmw h ALA 82 N 0.70 -0.69 -0.86 0.04 0.00 0.26 -0.89 119.26 117.82 2dmw h ALA 82 Ca 0.17 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2dmw h ALA 82 Cb 0.55 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2dmw h ALA 82 CO -0.56 -0.97 0.56 0.74 0.00 0.00 0.00 179.25 179.02 2dmw h PHE 83 N -0.57 0.86 0.26 0.00 0.04 -0.43 -1.96 116.94 115.14 2dmw h PHE 83 Ca 0.05 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 2dmw h PHE 83 Cb 0.66 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2dmw h PHE 83 CO -0.45 0.37 -0.35 -0.97 -0.60 0.00 0.00 178.31 176.30 2dmw h ASN 84 N 0.77 -0.99 -0.25 2.17 -1.24 0.81 0.17 115.58 117.03 2dmw h ASN 84 Ca 0.41 0.10 0.02 0.00 0.71 0.00 0.00 56.30 57.54 2dmw h ASN 84 Cb 0.54 0.35 -0.03 0.00 0.73 0.00 0.00 38.32 39.91 2dmw h ASN 84 CO -0.18 -0.47 0.09 0.15 -1.29 0.00 0.00 177.43 175.73 2dmw h PHE 85 N -0.68 0.16 -0.60 0.67 3.04 -0.89 -1.84 116.94 116.80 2dmw h PHE 85 Ca -0.00 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.03 2dmw h PHE 85 Cb 0.64 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 39.06 2dmw h PHE 85 CO -0.25 0.08 0.29 -0.07 -2.02 0.00 0.00 178.31 176.34 2dmw h LEU 86 N 0.21 0.38 -1.25 0.59 3.38 -1.10 -1.21 115.31 116.30 2dmw h LEU 86 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2dmw h LEU 86 Cb 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2dmw h LEU 86 CO -0.11 0.24 0.46 -1.13 0.09 0.00 0.00 178.44 178.00 2dmw h ASN 87 N 0.53 0.85 0.96 -0.43 -0.73 -0.23 0.58 115.58 117.11 2dmw h ASN 87 Ca 0.28 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.37 2dmw h ASN 87 Cb 0.25 -0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.64 2dmw h ASN 87 CO -0.22 0.63 -0.46 -0.33 -0.37 0.00 0.00 177.43 176.68 2dmw h GLU 88 N 0.99 -1.24 0.00 6.67 4.39 -0.41 -1.70 114.58 123.28 2dmw h GLU 88 Ca 0.26 0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 2dmw h GLU 88 Cb -0.08 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2dmw h GLU 88 CO -0.05 -0.82 -0.37 -0.84 -1.16 0.00 0.00 179.01 175.76 2dmw h ILE 89 N -1.33 1.18 0.96 3.13 3.07 -1.31 -2.33 117.51 120.88 2dmw h ILE 89 Ca -0.13 -1.29 -0.05 0.00 1.55 0.00 0.00 64.86 64.94 2dmw h ILE 89 Cb 0.98 1.71 0.01 0.00 -0.27 0.00 0.00 36.82 39.25 2dmw h ILE 89 CO 0.22 0.36 -0.48 0.50 -1.05 0.00 0.00 178.15 177.69 2dmw h LYS 90 N 0.00 -1.27 -0.49 0.16 3.64 0.30 -1.13 116.57 117.78 2dmw h LYS 90 Ca -0.00 0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2dmw h LYS 90 Cb 0.68 0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2dmw h LYS 90 CO 0.05 -0.85 0.29 1.57 -2.27 0.00 0.00 179.45 178.24 2dmw h LYS 91 N -1.32 0.67 -0.81 1.90 2.10 -1.32 0.52 116.57 118.31 2dmw h LYS 91 Ca -0.13 -0.07 0.16 0.00 -2.00 0.00 0.00 60.65 58.61 2dmw h LYS 91 Cb 1.02 -0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 32.16 2dmw h LYS 91 CO 0.20 0.50 0.54 0.00 -2.00 0.00 0.00 179.45 178.69 2dmw h ARG 92 N 0.65 0.45 0.00 0.07 3.08 -1.36 0.19 114.38 117.45 2dmw h ARG 92 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2dmw h ARG 92 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2dmw h ARG 92 CO -0.03 0.30 -0.06 0.35 -1.07 0.00 0.00 179.97 179.46 2dmw h PHE 93 N 0.46 0.00 -0.12 3.04 3.57 -0.58 -2.02 116.94 121.29 2dmw h PHE 93 Ca 0.40 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.94 2dmw h PHE 93 Cb 0.89 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 2dmw h PHE 93 CO -0.00 0.00 0.62 -0.56 -2.23 0.00 0.00 178.31 176.13 2dmw h GLN 94 N -0.41 0.00 0.01 1.11 3.07 -0.86 0.92 115.11 118.95 2dmw h GLN 94 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.41 2dmw h GLN 94 Cb 0.06 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.56 2dmw h GLN 94 CO 0.00 0.00 -2.00 2.41 0.09 0.00 0.00 178.83 179.33 2dmw n THR 95 N -2.88 1.54 -0.02 1.86 -1.04 0.66 -3.39 114.28 111.01 2dmw n THR 95 Ca 0.01 -0.80 -0.01 0.00 -2.04 0.00 0.00 64.05 61.21 2dmw n THR 95 Cb 0.68 -0.91 -0.00 0.00 -1.82 0.00 0.00 70.33 68.28 2dmw n THR 95 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2dmw n THR 96 N -2.98 0.35 -1.28 12.58 -1.04 0.27 -4.63 114.28 117.54 2dmw n THR 96 Ca -0.25 0.43 -0.11 0.00 -2.04 0.00 0.00 64.05 62.08 2dmw n THR 96 Cb 1.09 -1.71 0.21 0.00 -1.82 0.00 0.00 70.33 68.10 2dmw n THR 96 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2dmw n TYR 97 N -2.87 1.99 0.09 -1.42 4.01 0.17 -4.69 117.16 114.44 2dmw n TYR 97 Ca -0.02 -1.59 -0.04 0.00 -0.16 0.00 0.00 57.90 56.09 2dmw n TYR 97 Cb 0.08 -0.67 -0.02 0.00 -0.31 0.00 0.00 39.34 38.42 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 1.28 -0.28 0.80 2.72 0.00 -0.77 -2.30 103.07 104.53 2dmw h GLY 98 Ca 0.37 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.84 2dmw h GLY 98 CO 0.69 -0.10 0.53 1.48 0.00 0.00 0.00 176.54 179.14 2dmw h SER 99 N -0.61 0.85 0.31 0.19 4.64 -1.84 -0.58 113.55 116.52 2dmw h SER 99 Ca -0.03 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2dmw h SER 99 Cb 0.20 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2dmw h SER 99 CO 0.04 0.57 -0.12 0.03 -0.87 0.00 0.00 176.83 176.48 2dmw h ARG 100 N 1.00 0.00 0.00 4.77 3.08 -1.86 -1.19 114.38 120.18 2dmw h ARG 100 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2dmw h ARG 100 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2dmw h ARG 100 CO -0.14 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 178.88 2dmw n ALA 101 N -2.32 2.25 0.99 0.04 0.00 -0.23 0.06 120.51 121.31 2dmw n ALA 101 Ca -0.02 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.40 2dmw n ALA 101 Cb 0.23 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 2dmw n ALA 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dmw n GLN 102 N -1.04 0.59 0.00 0.00 1.13 -0.45 -4.53 117.38 113.09 2dmw n GLN 102 Ca 0.15 -0.45 0.00 0.00 -1.94 0.00 0.00 57.00 54.76 2dmw n GLN 102 Cb 0.08 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 -0.83 0.00 -2.46 5.09 -2.24 -0.89 -5.07 114.28 107.88 2dmw n THR 103 Ca 0.06 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.45 2dmw n THR 103 Cb 0.39 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 2dmw n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmw s ALA 104 N -1.46 3.27 1.02 6.98 0.00 0.11 -5.04 121.76 126.64 2dmw s ALA 104 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 2dmw s ALA 104 Cb 0.00 -3.32 0.20 0.00 0.00 0.00 0.00 23.12 20.00 2dmw s ALA 104 CO 0.00 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.36 2dmw s PRO 105 N -1.91 0.28 0.27 0.00 0.04 -1.26 -4.84 135.00 127.58 2dmw s PRO 105 Ca 0.51 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 2dmw s PRO 105 Cb -0.29 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2dmw s PRO 105 CO 0.37 -2.82 1.26 -1.25 0.04 0.00 0.00 177.00 174.59 2dmw s PRO 106 N -4.97 4.43 -0.86 0.56 0.04 -1.26 -3.37 135.00 129.58 2dmw s PRO 106 Ca 0.66 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.71 2dmw s PRO 106 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2dmw s PRO 106 CO 0.58 -0.12 0.74 0.66 0.04 0.00 0.00 177.00 178.90 2dmw n TYR 107 N 1.60 -1.77 -0.09 0.56 4.01 -1.16 -4.95 117.16 115.37 2dmw n TYR 107 Ca 0.02 0.65 -0.12 0.00 -0.16 0.00 0.00 57.90 58.30 2dmw n TYR 107 Cb 0.43 -3.75 -0.09 0.00 -0.31 0.00 0.00 39.34 35.61 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 -3.85 1.60 -2.08 -0.72 0.00 -1.22 -4.64 120.51 109.60 2dmw n ALA 108 Ca -0.05 -0.85 -0.23 0.00 0.00 0.00 0.00 53.44 52.31 2dmw n ALA 108 Cb 0.56 0.03 0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.92 3.50 -0.03 0.00 0.00 -1.26 -4.78 117.12 111.62 2dmw n MET 109 Ca -0.31 -4.14 -0.15 0.00 0.00 0.00 0.00 57.70 53.09 2dmw n MET 109 Cb 0.89 -2.24 -0.12 0.00 0.00 0.00 0.00 33.22 31.75 2dmw n MET 109 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 2dmw h ASN 110 N 2.22 0.19 -0.03 3.17 -1.24 -1.83 -3.16 115.58 114.90 2dmw h ASN 110 Ca 0.34 -0.85 0.01 0.00 0.71 0.00 0.00 56.30 56.51 2dmw h ASN 110 Cb 1.50 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 40.47 2dmw h ASN 110 CO 0.73 1.01 -0.25 -1.28 -1.29 0.00 0.00 177.43 176.35 2dmw h SER 111 N -0.62 -0.79 -0.58 1.15 0.87 -1.92 1.21 113.55 112.88 2dmw h SER 111 Ca -0.04 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.71 2dmw h SER 111 Cb 1.06 0.30 -0.11 0.00 -0.44 0.00 0.00 62.40 63.22 2dmw h SER 111 CO 0.05 -0.23 -0.37 -0.33 -0.53 0.00 0.00 176.83 175.41 2dmw h GLU 112 N -0.29 -0.18 0.00 2.24 4.39 -1.94 0.61 114.58 119.41 2dmw h GLU 112 Ca 0.01 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2dmw h GLU 112 Cb 0.32 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2dmw h GLU 112 CO -0.19 -0.12 -0.11 0.35 -1.16 0.00 0.00 179.01 177.78 2dmw h PHE 113 N -0.19 0.00 -0.10 4.33 3.57 -1.41 -2.40 116.94 120.74 2dmw h PHE 113 Ca 0.21 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2dmw h PHE 113 Cb 0.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2dmw h PHE 113 CO -0.66 0.11 0.05 1.03 -2.23 0.00 0.00 178.31 176.61 2dmw h SER 114 N 0.00 0.12 -0.26 0.41 0.87 0.72 0.11 113.55 115.53 2dmw h SER 114 Ca -0.00 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 2dmw h SER 114 Cb 0.26 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2dmw h SER 114 CO 0.01 0.18 -0.24 0.28 -0.53 0.00 0.00 176.83 176.53 2dmw h SER 115 N 0.06 0.66 0.77 6.23 0.02 -1.08 -2.23 113.55 117.98 2dmw h SER 115 Ca 0.03 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 2dmw h SER 115 Cb 0.08 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.44 2dmw h SER 115 CO -0.01 0.99 -0.39 0.58 -1.14 0.00 0.00 176.83 176.87 2dmw h VAL 116 N 0.34 0.21 -0.45 2.27 2.07 -1.36 -2.27 116.25 117.06 2dmw h VAL 116 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 2dmw h VAL 116 Cb 0.80 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2dmw h VAL 116 CO 0.06 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.63 2dmw h LEU 117 N -1.05 -0.08 -0.60 2.57 3.38 -0.86 -1.73 115.31 116.94 2dmw h LEU 117 Ca -0.10 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2dmw h LEU 117 Cb 0.82 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 2dmw h LEU 117 CO 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 178.44 178.69 2dmw h ALA 118 N 1.37 0.60 -0.74 1.53 0.00 -1.29 0.85 119.26 121.58 2dmw h ALA 118 Ca 0.23 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2dmw h ALA 118 Cb 0.31 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2dmw h ALA 118 CO -0.33 -0.39 0.40 0.00 0.00 0.00 0.00 179.25 178.93 2dmw h ALA 119 N 1.55 1.31 -0.38 0.00 0.00 -0.73 0.12 119.26 121.12 2dmw h ALA 119 Ca 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2dmw h ALA 119 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2dmw h ALA 119 CO -0.51 0.56 0.11 1.96 0.00 0.00 0.00 179.25 181.37 2dmw h GLN 120 N 1.03 0.59 0.18 0.00 1.08 -0.20 -1.02 115.11 116.76 2dmw h GLN 120 Ca 0.26 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2dmw h GLN 120 Cb 0.03 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2dmw h GLN 120 CO -0.04 0.61 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.29 2dmw h LEU 121 N 0.46 -0.20 -1.36 1.46 3.38 -0.76 0.22 115.31 118.52 2dmw h LEU 121 Ca 0.12 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 57.97 2dmw h LEU 121 Cb 0.27 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 2dmw h LEU 121 CO -0.00 0.19 0.56 0.50 0.09 0.00 0.00 178.44 179.78 2dmw h LYS 122 N -0.62 0.61 0.09 1.13 3.64 -0.99 0.38 116.57 120.80 2dmw h LYS 122 Ca -0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2dmw h LYS 122 Cb 0.46 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2dmw h LYS 122 CO 0.04 0.40 -0.04 0.45 -2.27 0.00 0.00 179.45 178.03 2dmw h HIS 123 N 0.62 -0.11 -0.19 1.91 3.86 -1.10 0.06 115.15 120.19 2dmw h HIS 123 Ca 0.43 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.69 2dmw h HIS 123 Cb 0.76 0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.20 2dmw h HIS 123 CO -0.00 -0.07 -0.34 0.45 0.86 0.00 0.00 177.93 178.83 2dmw h HIS 124 N -0.78 -0.95 0.56 2.45 3.86 -0.43 -3.11 115.15 116.75 2dmw h HIS 124 Ca -0.01 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2dmw h HIS 124 Cb 0.10 0.45 0.01 0.00 1.06 0.00 0.00 27.41 29.02 2dmw h HIS 124 CO 0.01 -0.41 -0.27 0.77 0.86 0.00 0.00 177.93 178.89 2dmw h SER 125 N -0.38 -0.64 -5.51 2.45 0.02 -0.42 -3.47 113.55 105.60 2dmw h SER 125 Ca 0.11 0.01 -0.42 0.00 -0.84 0.00 0.00 61.79 60.65 2dmw h SER 125 Cb 0.56 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2dmw h SER 125 CO -0.40 -0.23 -0.65 -0.24 -1.14 0.00 0.00 176.83 174.16 2dmw n SER 126 N -5.28 -5.14 0.00 3.07 2.88 0.01 -4.91 113.62 104.26 2dmw n SER 126 Ca -0.10 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2dmw n SER 126 Cb 0.30 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 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 -1.56 -0.22 3.77 0.46 0.00 -1.26 -5.05 105.19 101.32 2dmw n GLY 127 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.10 2.56 0.08 1.61 0.04 -1.26 -5.07 135.00 132.85 2dmw s PRO 128 Ca 0.00 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 2dmw s PRO 128 Cb 0.00 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 2dmw s PRO 128 CO 0.00 -1.43 0.17 -1.54 0.04 0.00 0.00 177.00 174.24 2dmw s SER 129 N -2.94 0.14 -0.14 6.66 1.04 -1.26 -5.05 113.70 112.15 2dmw s SER 129 Ca 0.64 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 2dmw s SER 129 Cb -0.19 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.30 2dmw s SER 129 CO 0.48 -0.70 0.36 -0.94 0.98 0.00 0.00 173.24 173.41 2dmw s SER 130 N -2.80 -0.41 0.00 7.02 1.04 -1.26 -4.86 113.70 112.44 2dmw s SER 130 Ca 0.04 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.22 2dmw s SER 130 Cb 0.05 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.84 2dmw s SER 130 CO -0.10 -0.16 0.01 0.61 0.98 0.00 0.00 173.24 174.58