#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 2.58 -3.64 1.61 7.64 -1.26 -0.83 113.62 119.71 2dmw n SER 2 Ca 0.00 0.41 -0.24 0.00 1.01 0.00 0.00 58.87 60.04 2dmw n SER 2 Cb 0.00 -1.36 0.07 0.00 -1.01 0.00 0.00 64.21 61.91 2dmw n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dmw n SER 3 N 10.07 -5.53 0.00 6.43 2.88 -1.26 -4.97 113.62 121.24 2dmw n SER 3 Ca 0.36 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 2dmw n SER 3 Cb 0.30 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 2dmw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmw n GLY 4 N -1.86 0.62 3.56 0.46 0.00 -0.01 -4.79 105.19 103.16 2dmw n GLY 4 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 6.58 -0.23 1.61 0.15 -1.26 -4.90 113.70 114.65 2dmw s SER 5 Ca 0.00 -1.70 -0.11 0.00 0.70 0.00 0.00 55.95 54.84 2dmw s SER 5 Cb 0.00 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 2dmw s SER 5 CO 0.00 -1.41 0.54 -0.44 1.20 0.00 0.00 173.24 173.14 2dmw s SER 6 N 4.72 -0.71 0.00 5.45 0.01 -1.26 -5.05 113.70 116.85 2dmw s SER 6 Ca 0.47 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.95 2dmw s SER 6 Cb 0.00 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.54 2dmw s SER 6 CO -0.06 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2dmw n GLY 7 N 4.64 -0.85 3.53 3.44 0.00 -1.26 -4.91 105.19 109.78 2dmw n GLY 7 Ca -0.18 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.82 3.77 0.29 1.61 1.00 -1.26 -4.91 119.30 117.99 2dmw s MET 8 Ca 0.00 -1.68 -0.17 0.00 0.00 0.00 0.00 55.69 53.84 2dmw s MET 8 Cb 0.00 -5.28 0.02 0.00 0.00 0.00 0.00 34.83 29.57 2dmw s MET 8 CO 0.00 -2.08 0.66 0.00 0.00 0.00 0.00 175.02 173.60 2dmw s ALA 9 N 3.88 -0.77 0.43 3.03 0.00 -1.26 -4.95 121.76 122.11 2dmw s ALA 9 Ca 0.45 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 2dmw s ALA 9 Cb -0.00 0.89 -0.08 0.00 0.00 0.00 0.00 23.12 23.93 2dmw s ALA 9 CO -0.04 -0.97 1.19 0.42 0.00 0.00 0.00 175.76 176.37 2dmw s ILE 10 N -3.60 3.02 0.00 0.00 1.01 -1.26 -4.32 121.20 116.05 2dmw s ILE 10 Ca 0.16 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.64 2dmw s ILE 10 Cb -0.04 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2dmw s ILE 10 CO 0.09 0.05 0.00 0.18 0.00 0.00 0.00 174.94 175.26 2dmw n LEU 11 N -0.14 0.00 -4.10 2.97 4.77 -0.94 -5.03 117.00 114.52 2dmw n LEU 11 Ca 0.05 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 2dmw n LEU 11 Cb 0.46 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 2dmw n LEU 11 CO 0.50 0.00 -0.49 0.12 -1.33 0.00 0.00 177.39 176.19 2dmw s PHE 12 N -1.70 1.63 -0.27 -1.77 5.36 -1.24 -2.29 117.98 117.69 2dmw s PHE 12 Ca 0.00 -0.51 -0.05 0.00 -0.96 0.00 0.00 56.93 55.41 2dmw s PHE 12 Cb 0.00 -1.12 0.15 0.00 -0.34 0.00 0.00 43.02 41.71 2dmw s PHE 12 CO 0.00 -0.20 0.54 0.00 -1.46 0.00 0.00 175.22 174.10 2dmw s ALA 13 N 0.22 -1.81 0.05 11.12 0.00 -1.24 -1.79 121.76 128.31 2dmw s ALA 13 Ca -0.07 1.77 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 2dmw s ALA 13 Cb -0.13 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 2dmw s ALA 13 CO 0.03 -1.11 0.04 0.14 0.00 0.00 0.00 175.76 174.86 2dmw s VAL 14 N 2.77 0.18 -0.20 0.00 -7.23 -1.19 -3.26 120.40 111.47 2dmw s VAL 14 Ca 0.08 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2dmw s VAL 14 Cb -0.14 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.54 2dmw s VAL 14 CO -0.18 -0.81 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.00 2dmw s VAL 15 N -3.46 2.86 -0.02 1.32 1.01 -0.79 -3.33 120.40 117.99 2dmw s VAL 15 Ca 0.02 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2dmw s VAL 15 Cb 0.04 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2dmw s VAL 15 CO -0.08 0.47 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 2dmw s ALA 16 N 1.35 0.34 -0.04 5.51 0.00 -0.90 -2.30 121.76 125.70 2dmw s ALA 16 Ca 0.04 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.08 2dmw s ALA 16 Cb -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2dmw s ALA 16 CO -0.06 -0.01 -0.20 -0.98 0.00 0.00 0.00 175.76 174.51 2dmw s ARG 17 N 0.56 2.38 -0.72 0.00 1.70 0.11 -2.27 118.95 120.70 2dmw s ARG 17 Ca -0.06 -0.82 -0.12 0.00 -0.47 0.00 0.00 55.73 54.27 2dmw s ARG 17 Cb -0.09 -2.22 0.02 0.00 -0.57 0.00 0.00 34.95 32.09 2dmw s ARG 17 CO -0.01 0.56 0.46 0.41 -1.08 0.00 0.00 175.30 175.64 2dmw n GLY 18 N 2.48 -0.80 3.97 3.88 0.00 -1.26 0.65 105.19 114.11 2dmw n GLY 18 Ca -0.17 0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.90 -2.66 -3.35 2.61 -2.24 -1.26 -4.95 114.28 99.54 2dmw n THR 19 Ca -0.17 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 2dmw n THR 19 Cb 0.46 -2.62 -0.08 0.00 -2.10 0.00 0.00 70.33 66.00 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 -3.68 -0.58 -0.38 4.28 2.01 0.21 -5.08 115.64 112.42 2dmw s THR 20 Ca 0.26 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 2dmw s THR 20 Cb -0.14 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.50 2dmw s THR 20 CO 0.88 -0.23 1.06 -0.63 -0.69 0.00 0.00 174.62 175.00 2dmw s ILE 21 N 2.51 4.43 -0.05 1.82 1.01 -1.26 0.05 121.20 129.71 2dmw s ILE 21 Ca 0.11 1.44 -0.17 0.00 0.00 0.00 0.00 60.65 62.03 2dmw s ILE 21 Cb -0.14 -4.46 -0.31 0.00 0.01 0.00 0.00 42.46 37.57 2dmw s ILE 21 CO -0.23 -0.66 0.75 -0.07 0.00 0.00 0.00 174.94 174.72 2dmw h LEU 22 N 10.44 0.53 -7.21 2.97 3.38 -1.84 -3.31 115.31 120.28 2dmw h LEU 22 Ca -0.22 -0.91 -0.16 0.00 0.09 0.00 0.00 57.88 56.68 2dmw h LEU 22 Cb 1.06 -0.17 -0.30 0.00 0.09 0.00 0.00 40.66 41.34 2dmw h LEU 22 CO 1.05 1.61 -0.44 0.00 0.09 0.00 0.00 178.44 180.75 2dmw s ALA 23 N -2.50 -0.80 -0.02 1.53 0.00 -1.21 -1.89 121.76 116.86 2dmw s ALA 23 Ca -0.16 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.08 2dmw s ALA 23 Cb 0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2dmw s ALA 23 CO 0.83 -0.53 -0.24 -1.59 0.00 0.00 0.00 175.76 174.23 2dmw s LYS 24 N 2.11 2.02 -0.27 0.00 -2.85 -1.26 -1.89 119.74 117.59 2dmw s LYS 24 Ca -0.03 -0.86 -0.01 0.00 -1.00 0.00 0.00 55.97 54.07 2dmw s LYS 24 Cb -0.11 -1.92 0.16 0.00 -2.06 0.00 0.00 37.83 33.90 2dmw s LYS 24 CO -0.10 0.50 0.48 -1.58 0.10 0.00 0.00 175.35 174.74 2dmw s HIS 25 N -0.51 -1.21 0.20 1.78 2.46 -1.20 -4.88 115.29 111.93 2dmw s HIS 25 Ca 0.08 1.12 0.02 0.00 0.47 0.00 0.00 55.06 56.74 2dmw s HIS 25 Cb -0.10 0.22 -0.05 0.00 -0.13 0.00 0.00 32.58 32.53 2dmw s HIS 25 CO -0.00 -0.83 0.03 0.00 -2.47 0.00 0.00 174.74 171.46 2dmw s ALA 26 N 2.68 1.48 0.56 1.58 0.00 -1.26 -3.72 121.76 123.07 2dmw s ALA 26 Ca 0.15 -1.68 -0.18 0.00 0.00 0.00 0.00 51.96 50.25 2dmw s ALA 26 Cb -0.15 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 2dmw s ALA 26 CO -0.20 -0.35 1.09 -1.58 0.00 0.00 0.00 175.76 174.72 2dmw s TRP 27 N -3.67 2.80 -0.15 0.00 0.52 -0.97 -4.97 118.94 112.50 2dmw s TRP 27 Ca 0.28 1.55 -0.29 0.00 0.02 0.00 0.00 56.10 57.66 2dmw s TRP 27 Cb 0.06 -3.16 -0.02 0.00 -1.15 0.00 0.00 33.47 29.21 2dmw s TRP 27 CO 0.07 -1.32 1.26 0.00 0.02 0.00 0.00 176.95 176.98 2dmw n GLY 29 N 3.59 2.26 0.00 0.00 0.00 -1.26 -5.16 105.19 104.62 2dmw n GLY 29 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.24 3.37 -0.02 0.00 -1.26 -4.92 105.19 102.11 2dmw n GLY 30 Ca 0.00 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.49 6.05 -0.05 1.61 3.84 -1.26 -4.88 114.94 118.76 2dmw s ASN 31 Ca 0.00 -1.33 0.19 0.00 0.21 0.00 0.00 52.86 51.93 2dmw s ASN 31 Cb 0.00 -2.14 -0.29 0.00 -0.55 0.00 0.00 41.25 38.27 2dmw s ASN 31 CO 0.00 -0.61 0.37 0.49 -2.79 0.00 0.00 177.10 174.56 2dmw n PHE 32 N 5.15 0.00 0.29 0.43 3.72 -1.26 -4.31 117.46 121.47 2dmw n PHE 32 Ca -0.12 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.46 2dmw n PHE 32 Cb 0.44 -0.51 0.98 0.00 -0.94 0.00 0.00 39.48 39.45 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 0.19 4.37 5.85 -1.98 -0.66 115.31 123.08 2dmw h LEU 33 Ca -0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dmw h LEU 33 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2dmw h LEU 33 CO 0.00 0.00 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.93 2dmw h GLU 34 N 0.00 -0.25 -0.55 1.25 4.81 -2.00 -1.47 114.58 116.37 2dmw h GLU 34 Ca 0.02 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2dmw h GLU 34 Cb 0.20 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2dmw h GLU 34 CO -0.00 -0.16 0.37 -0.24 -0.73 0.00 0.00 179.01 178.24 2dmw h VAL 35 N -0.41 1.06 0.19 0.32 3.04 -1.78 -2.32 116.25 116.35 2dmw h VAL 35 Ca -0.03 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 2dmw h VAL 35 Cb 0.20 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 2dmw h VAL 35 CO 0.04 0.11 -0.09 0.74 -1.01 0.00 0.00 177.57 177.36 2dmw h THR 36 N 0.62 0.88 -0.72 3.17 2.02 -1.19 -2.34 112.91 115.34 2dmw h THR 36 Ca 0.22 -0.35 0.08 0.00 0.77 0.00 0.00 66.41 67.14 2dmw h THR 36 Cb 0.12 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 2dmw h THR 36 CO -0.06 0.08 0.39 -0.33 0.37 0.00 0.00 175.52 175.97 2dmw h GLU 37 N -0.43 0.67 0.01 6.66 5.08 -0.91 -1.67 114.58 124.00 2dmw h GLU 37 Ca -0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2dmw h GLU 37 Cb 0.33 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2dmw h GLU 37 CO 0.04 0.44 -0.16 1.96 -1.00 0.00 0.00 179.01 180.30 2dmw h GLN 38 N 0.69 -0.26 -0.58 2.33 4.20 -1.31 -2.04 115.11 118.15 2dmw h GLN 38 Ca 0.34 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.13 2dmw h GLN 38 Cb 0.29 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2dmw h GLN 38 CO -0.23 -0.17 0.28 0.82 -0.67 0.00 0.00 178.83 178.86 2dmw h ILE 39 N -0.26 0.90 -0.62 2.54 1.08 -0.93 -2.11 117.51 118.11 2dmw h ILE 39 Ca 0.05 -0.18 0.10 0.00 -0.39 0.00 0.00 64.86 64.44 2dmw h ILE 39 Cb 0.32 0.34 -0.07 0.00 -3.07 0.00 0.00 36.82 34.34 2dmw h ILE 39 CO -0.14 0.09 0.23 -0.07 -0.69 0.00 0.00 178.15 177.57 2dmw h LEU 40 N 0.52 0.22 0.00 1.44 3.38 -0.88 0.42 115.31 120.40 2dmw h LEU 40 Ca 0.27 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2dmw h LEU 40 Cb 0.22 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dmw h LEU 40 CO -0.21 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.45 2dmw n ALA 41 N -2.48 1.15 -0.06 1.53 0.00 -0.80 -1.39 120.51 118.47 2dmw n ALA 41 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 2dmw n ALA 41 Cb 0.28 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.45 1.65 -2.44 0.00 5.02 0.13 -4.96 118.16 116.10 2dmw n LYS 42 Ca 0.01 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2dmw n LYS 42 Cb 0.02 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.41 4.23 1.09 -0.18 1.01 0.05 -5.02 121.20 119.96 2dmw s ILE 43 Ca -0.06 1.55 -0.15 0.00 0.00 0.00 0.00 60.65 61.98 2dmw s ILE 43 Cb 0.05 -3.99 0.23 0.00 0.01 0.00 0.00 42.46 38.75 2dmw s ILE 43 CO 0.55 -0.02 1.10 -2.16 0.00 0.00 0.00 174.94 174.41 2dmw s PRO 44 N 2.43 -0.28 0.23 2.79 0.04 -1.26 -4.90 135.00 134.05 2dmw s PRO 44 Ca 0.56 0.27 0.21 0.00 0.04 0.00 0.00 61.00 62.08 2dmw s PRO 44 Cb -0.25 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.67 2dmw s PRO 44 CO 0.21 -3.15 1.16 0.66 0.04 0.00 0.00 177.00 175.92 2dmw h SER 45 N -2.19 0.00 -3.44 6.66 4.64 -1.97 -3.47 113.55 113.78 2dmw h SER 45 Ca -0.51 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.24 2dmw h SER 45 Cb 1.32 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.55 2dmw h SER 45 CO 0.49 0.18 0.27 -0.62 -0.87 0.00 0.00 176.83 176.28 2dmw n GLU 46 N -2.87 1.38 -2.16 4.77 1.02 -1.26 -4.58 120.64 116.94 2dmw n GLU 46 Ca -0.01 0.50 -0.32 0.00 -0.02 0.00 0.00 57.16 57.31 2dmw n GLU 46 Cb 0.63 -2.22 -0.04 0.00 -0.02 0.00 0.00 31.44 29.79 2dmw n GLU 46 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dmw s ASN 47 N -0.87 5.45 -0.23 1.62 2.20 -1.26 -4.89 114.94 116.95 2dmw s ASN 47 Ca 0.68 -0.57 -0.19 0.00 -0.94 0.00 0.00 52.86 51.84 2dmw s ASN 47 Cb -0.48 -2.55 0.06 0.00 -2.00 0.00 0.00 41.25 36.27 2dmw s ASN 47 CO 0.53 -2.41 0.60 0.54 -2.94 0.00 0.00 177.10 173.41 2dmw s ASN 48 N 7.31 -0.68 0.26 3.54 4.22 -1.26 -5.00 114.94 123.32 2dmw s ASN 48 Ca 0.64 1.24 0.09 0.00 -2.14 0.00 0.00 52.86 52.68 2dmw s ASN 48 Cb -0.07 1.21 -0.04 0.00 1.28 0.00 0.00 41.25 43.63 2dmw s ASN 48 CO 0.03 -0.21 0.01 -1.59 -2.04 0.00 0.00 177.10 173.30 2dmw s LYS 49 N 0.71 2.35 -0.27 3.55 -2.85 -1.26 -4.15 119.74 117.82 2dmw s LYS 49 Ca -0.03 -1.36 -0.25 0.00 -1.00 0.00 0.00 55.97 53.33 2dmw s LYS 49 Cb -0.05 -2.21 0.10 0.00 -2.06 0.00 0.00 37.83 33.61 2dmw s LYS 49 CO -0.05 0.38 0.89 -1.17 0.10 0.00 0.00 175.35 175.50 2dmw s LEU 50 N -3.61 -0.59 -0.46 2.77 0.20 -1.25 -5.07 118.68 110.66 2dmw s LEU 50 Ca 0.31 1.13 -0.29 0.00 0.69 0.00 0.00 54.13 55.97 2dmw s LEU 50 Cb -0.07 2.15 0.02 0.00 -0.43 0.00 0.00 46.19 47.86 2dmw s LEU 50 CO 0.20 -0.20 1.23 -0.89 -0.29 0.00 0.00 176.35 176.40 2dmw s THR 51 N 0.28 4.09 -0.32 3.68 2.01 -1.26 -4.26 115.64 119.87 2dmw s THR 51 Ca 0.02 1.10 -0.10 0.00 0.31 0.00 0.00 61.69 63.02 2dmw s THR 51 Cb -0.05 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 67.96 2dmw s THR 51 CO -0.03 -0.95 0.17 -0.47 -0.69 0.00 0.00 174.62 172.65 2dmw s TYR 52 N 4.82 3.19 -0.50 4.92 6.14 -0.86 -5.01 117.35 130.05 2dmw s TYR 52 Ca 0.52 -0.44 -0.15 0.00 0.64 0.00 0.00 57.07 57.64 2dmw s TYR 52 Cb -0.09 -2.38 0.10 0.00 0.42 0.00 0.00 41.96 40.01 2dmw s TYR 52 CO 0.32 -0.41 0.43 -1.54 0.64 0.00 0.00 175.55 174.99 2dmw s SER 53 N 1.65 6.11 -0.25 4.32 1.04 -1.26 0.07 113.70 125.37 2dmw s SER 53 Ca 0.05 -1.57 -0.02 0.00 0.48 0.00 0.00 55.95 54.89 2dmw s SER 53 Cb -0.17 -2.17 0.02 0.00 0.10 0.00 0.00 66.02 63.80 2dmw s SER 53 CO 0.08 -0.74 -0.05 -2.28 0.98 0.00 0.00 173.24 171.23 2dmw s HIS 54 N 1.59 3.07 0.00 5.02 2.46 -1.07 -5.00 115.29 121.37 2dmw s HIS 54 Ca 0.04 -1.49 0.00 0.00 0.47 0.00 0.00 55.06 54.07 2dmw s HIS 54 Cb -0.27 -2.08 0.00 0.00 -0.13 0.00 0.00 32.58 30.11 2dmw s HIS 54 CO 0.04 -0.71 0.00 0.41 -2.47 0.00 0.00 174.74 172.01 2dmw n GLY 55 N 4.69 1.36 1.55 1.59 0.00 -1.26 -2.60 105.19 110.51 2dmw n GLY 55 Ca -0.16 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 2dmw n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dmw n ASN 56 N -1.02 3.34 -3.98 1.61 0.23 -1.26 -4.85 115.26 109.32 2dmw n ASN 56 Ca 0.00 -2.72 -0.09 0.00 -0.53 0.00 0.00 54.58 51.24 2dmw n ASN 56 Cb 0.00 -0.65 -0.10 0.00 -2.08 0.00 0.00 39.78 36.94 2dmw n ASN 56 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2dmw s TYR 57 N -1.49 0.28 -0.13 -2.53 1.51 -1.07 -4.19 117.35 109.72 2dmw s TYR 57 Ca 0.26 -0.59 -0.08 0.00 -1.01 0.00 0.00 57.07 55.64 2dmw s TYR 57 Cb 0.22 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.82 2dmw s TYR 57 CO 0.05 -0.27 0.15 -0.51 -1.11 0.00 0.00 175.55 173.86 2dmw s LEU 58 N -1.86 4.35 -0.46 -1.29 1.43 -1.01 -2.58 118.68 117.26 2dmw s LEU 58 Ca -0.09 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2dmw s LEU 58 Cb -0.05 -2.10 0.12 0.00 0.03 0.00 0.00 46.19 44.20 2dmw s LEU 58 CO -0.03 0.35 0.21 -0.36 0.23 0.00 0.00 176.35 176.75 2dmw s PHE 59 N -0.69 3.50 -0.30 0.29 0.40 0.11 -3.36 117.98 117.94 2dmw s PHE 59 Ca 0.14 -2.87 -0.12 0.00 -0.60 0.00 0.00 56.93 53.47 2dmw s PHE 59 Cb -0.12 -3.02 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2dmw s PHE 59 CO 0.03 -0.88 0.24 -1.01 0.70 0.00 0.00 175.22 174.30 2dmw s HIS 60 N 0.45 3.22 -0.07 0.36 3.76 -1.22 -2.03 115.29 119.77 2dmw s HIS 60 Ca 0.13 0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.17 2dmw s HIS 60 Cb -0.22 -2.45 -0.00 0.00 1.11 0.00 0.00 32.58 31.02 2dmw s HIS 60 CO -0.04 -0.23 -0.21 1.52 -0.85 0.00 0.00 174.74 174.92 2dmw s TYR 61 N 1.81 2.17 -0.21 1.40 -0.85 -1.26 -2.82 117.35 117.60 2dmw s TYR 61 Ca 0.08 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 2dmw s TYR 61 Cb -0.16 -1.46 0.03 0.00 0.38 0.00 0.00 41.96 40.75 2dmw s TYR 61 CO 0.11 -0.27 -0.15 0.42 -1.52 0.00 0.00 175.55 174.13 2dmw s ILE 62 N 0.14 2.26 -0.01 -3.49 1.01 -1.12 -3.93 121.20 116.07 2dmw s ILE 62 Ca -0.10 -1.08 -0.21 0.00 0.00 0.00 0.00 60.65 59.27 2dmw s ILE 62 Cb -0.15 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 2dmw s ILE 62 CO 0.05 0.37 0.60 0.00 0.00 0.00 0.00 174.94 175.96 2dmw s GLN 64 N -0.12 0.37 -1.59 0.00 0.74 -0.33 -4.44 119.66 114.29 2dmw s GLN 64 Ca 0.31 0.71 -0.04 0.00 0.05 0.00 0.00 55.36 56.39 2dmw s GLN 64 Cb -0.18 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.12 2dmw s GLN 64 CO 0.17 -0.09 0.55 -0.25 -0.55 0.00 0.00 175.29 175.12 2dmw n ASP 65 N 4.07 -6.15 -1.44 6.67 9.92 -1.26 -1.25 116.55 127.12 2dmw n ASP 65 Ca -0.16 -0.26 -0.13 0.00 -0.53 0.00 0.00 54.79 53.71 2dmw n ASP 65 Cb 0.56 -4.98 -0.01 0.00 -0.64 0.00 0.00 41.12 36.05 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 -3.94 -1.03 -4.80 -1.24 5.12 -1.26 -5.01 116.66 104.50 2dmw n ARG 66 Ca -0.13 0.68 -0.25 0.00 -1.93 0.00 0.00 57.85 56.22 2dmw n ARG 66 Cb 0.63 -4.88 -0.15 0.00 -1.16 0.00 0.00 32.46 26.89 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 -2.63 1.39 -0.10 0.55 -1.09 -0.38 -4.43 121.20 114.50 2dmw s ILE 67 Ca 0.00 -0.80 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 2dmw s ILE 67 Cb 0.00 -1.17 -0.01 0.00 -1.58 0.00 0.00 42.46 39.70 2dmw s ILE 67 CO 0.00 0.36 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.20 2dmw s VAL 68 N -0.46 2.64 -0.38 2.92 1.01 -0.96 -1.18 120.40 123.98 2dmw s VAL 68 Ca 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2dmw s VAL 68 Cb -0.07 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.36 2dmw s VAL 68 CO -0.00 0.55 0.10 -0.31 0.00 0.00 0.00 175.10 175.43 2dmw s TYR 69 N 0.15 3.64 0.08 5.22 1.51 -1.12 -2.13 117.35 124.70 2dmw s TYR 69 Ca -0.10 -3.05 -0.03 0.00 -1.01 0.00 0.00 57.07 52.89 2dmw s TYR 69 Cb -0.16 -2.91 -0.05 0.00 -0.11 0.00 0.00 41.96 38.74 2dmw s TYR 69 CO 0.06 -0.90 0.28 -1.17 -1.11 0.00 0.00 175.55 172.71 2dmw s LEU 70 N 0.63 4.33 0.02 -1.29 0.20 -1.21 -2.80 118.68 118.56 2dmw s LEU 70 Ca 0.12 0.45 -0.12 0.00 0.69 0.00 0.00 54.13 55.27 2dmw s LEU 70 Cb -0.21 -3.03 0.02 0.00 -0.43 0.00 0.00 46.19 42.54 2dmw s LEU 70 CO -0.06 0.14 0.26 0.00 -0.29 0.00 0.00 176.35 176.41 2dmw s ILE 72 N -2.07 2.45 0.16 0.00 1.01 -0.74 -3.36 121.20 118.65 2dmw s ILE 72 Ca -0.09 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 2dmw s ILE 72 Cb -0.03 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2dmw s ILE 72 CO -0.01 0.53 0.08 0.42 0.00 0.00 0.00 174.94 175.96 2dmw s THR 73 N 0.77 0.10 0.25 2.92 -4.23 -1.21 -2.22 115.64 112.01 2dmw s THR 73 Ca -0.07 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.20 2dmw s THR 73 Cb -0.16 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.38 2dmw s THR 73 CO 0.00 -0.30 1.17 -1.81 -0.54 0.00 0.00 174.62 173.14 2dmw s ASP 74 N -3.10 7.13 0.12 3.99 1.01 -1.26 -2.41 116.67 122.15 2dmw s ASP 74 Ca 0.29 2.31 -0.24 0.00 0.71 0.00 0.00 52.55 55.62 2dmw s ASP 74 Cb 0.07 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 2dmw s ASP 74 CO 0.05 -0.29 1.42 0.44 0.21 0.00 0.00 175.17 177.00 2dmw h ASP 75 N 4.38 -1.62 -0.85 0.27 3.32 -1.93 0.36 116.42 120.36 2dmw h ASP 75 Ca -0.46 0.24 0.30 0.00 0.02 0.00 0.00 57.03 57.13 2dmw h ASP 75 Cb 1.21 0.70 -0.16 0.00 0.22 0.00 0.00 39.33 41.31 2dmw h ASP 75 CO 0.70 -0.21 0.27 0.47 -1.72 0.00 0.00 179.24 178.75 2dmw n ASP 76 N -4.73 0.12 -4.50 6.45 8.00 -1.26 -4.49 116.55 116.14 2dmw n ASP 76 Ca 0.01 1.43 -0.45 0.00 0.71 0.00 0.00 54.79 56.49 2dmw n ASP 76 Cb 0.21 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.68 2dmw n ASP 76 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2dmw n PHE 77 N -5.06 0.39 -2.95 1.24 7.35 0.13 -4.91 117.46 113.64 2dmw n PHE 77 Ca 0.27 0.77 -0.40 0.00 -0.76 0.00 0.00 57.45 57.33 2dmw n PHE 77 Cb 0.91 -2.11 -0.05 0.00 0.35 0.00 0.00 39.48 38.58 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 -1.39 4.52 0.16 -4.13 2.12 -1.26 -4.96 118.70 113.77 2dmw s GLU 78 Ca 0.61 1.12 -0.20 0.00 0.36 0.00 0.00 54.97 56.86 2dmw s GLU 78 Cb -0.75 -3.36 0.06 0.00 0.26 0.00 0.00 34.13 30.34 2dmw s GLU 78 CO 0.58 0.29 1.64 0.00 -0.54 0.00 0.00 175.26 177.24 2dmw h ARG 79 N 5.56 -0.15 -0.48 4.30 3.08 -1.91 -2.74 114.38 122.04 2dmw h ARG 79 Ca -0.44 0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.66 2dmw h ARG 79 Cb 1.21 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 2dmw h ARG 79 CO 0.71 -0.10 -0.29 0.43 -1.07 0.00 0.00 179.97 179.65 2dmw n SER 80 N -5.36 -0.51 -0.28 7.04 7.64 -1.26 0.11 113.62 120.99 2dmw n SER 80 Ca 0.01 1.33 0.09 0.00 1.01 0.00 0.00 58.87 61.31 2dmw n SER 80 Cb 0.27 -0.35 0.21 0.00 -1.01 0.00 0.00 64.21 63.34 2dmw n SER 80 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2dmw h ARG 81 N 0.00 0.12 0.74 1.43 -0.00 -1.91 -0.02 114.38 114.75 2dmw h ARG 81 Ca 0.08 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.51 2dmw h ARG 81 Cb 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.15 2dmw h ARG 81 CO -0.46 0.08 -0.36 0.00 0.00 0.00 0.00 179.97 179.24 2dmw h ALA 82 N 1.77 -1.23 -1.23 0.04 0.00 -0.13 -2.12 119.26 116.35 2dmw h ALA 82 Ca 0.48 -0.22 0.36 0.00 0.00 0.00 0.00 54.91 55.53 2dmw h ALA 82 Cb 0.91 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2dmw h ALA 82 CO -0.70 -1.16 0.84 0.74 0.00 0.00 0.00 179.25 178.98 2dmw h PHE 83 N -1.02 0.31 0.11 0.00 0.04 0.19 -1.88 116.94 114.69 2dmw h PHE 83 Ca -0.10 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2dmw h PHE 83 Cb 0.76 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.83 2dmw h PHE 83 CO 0.05 -0.02 -0.05 -0.91 -0.60 0.00 0.00 178.31 176.78 2dmw h ASN 84 N 0.15 -0.13 -0.97 2.17 2.35 -0.70 -1.53 115.58 116.91 2dmw h ASN 84 Ca 0.66 0.00 0.30 0.00 -0.55 0.00 0.00 56.30 56.71 2dmw h ASN 84 Cb 2.21 0.03 -0.17 0.00 0.05 0.00 0.00 38.32 40.44 2dmw h ASN 84 CO -0.18 -0.07 0.21 0.15 -1.65 0.00 0.00 177.43 175.89 2dmw h PHE 85 N -0.21 0.27 0.82 1.19 3.04 -0.71 0.10 116.94 121.44 2dmw h PHE 85 Ca -0.02 0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 2dmw h PHE 85 Cb 0.12 0.04 0.01 0.00 2.56 0.00 0.00 35.95 38.68 2dmw h PHE 85 CO 0.13 -0.40 -0.40 -0.07 -2.02 0.00 0.00 178.31 175.56 2dmw h LEU 86 N 0.05 -0.94 -2.00 0.59 3.38 -1.39 -2.33 115.31 112.68 2dmw h LEU 86 Ca 0.66 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.85 2dmw h LEU 86 Cb 1.47 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 2dmw h LEU 86 CO -0.83 -0.63 0.52 -1.13 0.09 0.00 0.00 178.44 176.46 2dmw h ASN 87 N -1.17 0.00 0.60 -0.43 -0.73 0.16 0.27 115.58 114.28 2dmw h ASN 87 Ca -0.11 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 2dmw h ASN 87 Cb 0.86 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.45 2dmw h ASN 87 CO 0.19 0.00 -0.29 -0.33 -0.37 0.00 0.00 177.43 176.63 2dmw h GLU 88 N 0.00 -0.78 -0.70 6.67 4.39 -0.51 -2.15 114.58 121.50 2dmw h GLU 88 Ca 0.33 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 60.03 2dmw h GLU 88 Cb 1.37 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 30.16 2dmw h GLU 88 CO -0.00 -0.52 0.24 -0.84 -1.16 0.00 0.00 179.01 176.72 2dmw h ILE 89 N -1.05 1.25 -0.61 3.13 3.07 -0.89 -2.32 117.51 120.09 2dmw h ILE 89 Ca -0.08 -0.86 0.10 0.00 1.55 0.00 0.00 64.86 65.57 2dmw h ILE 89 Cb 0.62 0.49 -0.07 0.00 -0.27 0.00 0.00 36.82 37.58 2dmw h ILE 89 CO 0.14 0.34 0.21 0.07 -1.05 0.00 0.00 178.15 177.85 2dmw h LYS 90 N 1.03 0.37 -0.40 0.16 2.10 -0.54 0.05 116.57 119.34 2dmw h LYS 90 Ca 0.23 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.79 2dmw h LYS 90 Cb 0.28 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2dmw h LYS 90 CO -0.01 0.24 -0.02 0.87 -2.00 0.00 0.00 179.45 178.53 2dmw h LYS 91 N 0.38 0.72 0.00 0.07 1.57 -1.17 0.87 116.57 119.02 2dmw h LYS 91 Ca 0.31 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2dmw h LYS 91 Cb 0.40 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2dmw h LYS 91 CO -0.32 0.82 -0.03 0.00 -0.57 0.00 0.00 179.45 179.35 2dmw h ARG 92 N 0.55 0.00 0.00 3.15 3.08 -0.78 -0.41 114.38 119.97 2dmw h ARG 92 Ca 0.11 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.97 2dmw h ARG 92 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2dmw h ARG 92 CO 0.03 0.03 -1.12 0.34 -1.07 0.00 0.00 179.97 178.17 2dmw n PHE 93 N -3.34 0.99 0.32 3.04 -0.00 -0.08 -2.44 117.46 115.96 2dmw n PHE 93 Ca -0.02 0.43 0.21 0.00 -0.00 0.00 0.00 57.45 58.07 2dmw n PHE 93 Cb 0.16 -1.03 1.10 0.00 -0.00 0.00 0.00 39.48 39.70 2dmw n PHE 93 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 2dmw h GLN 94 N -1.00 0.00 0.10 -4.13 3.07 -0.72 1.60 115.11 114.02 2dmw h GLN 94 Ca -0.28 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.09 2dmw h GLN 94 Cb 1.14 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.67 2dmw h GLN 94 CO -0.17 0.01 -2.10 -2.37 0.09 0.00 0.00 178.83 174.29 2dmw n THR 95 N -3.18 1.72 -0.03 1.86 5.66 -0.18 -3.43 114.28 116.71 2dmw n THR 95 Ca -0.02 -0.64 -0.02 0.00 -3.05 0.00 0.00 64.05 60.32 2dmw n THR 95 Cb 0.11 -1.64 -0.01 0.00 -1.55 0.00 0.00 70.33 67.25 2dmw n THR 95 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2dmw h THR 96 N 0.05 0.00 -0.80 1.09 2.02 -1.10 -3.41 112.91 110.77 2dmw h THR 96 Ca -0.46 -0.39 -0.49 0.00 0.77 0.00 0.00 66.41 65.85 2dmw h THR 96 Cb 2.01 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 68.15 2dmw h THR 96 CO 0.05 0.00 0.34 -1.22 0.37 0.00 0.00 175.52 175.06 2dmw n TYR 97 N -3.15 2.57 -0.02 3.16 4.01 0.21 -4.69 117.16 119.25 2dmw n TYR 97 Ca -0.02 -2.20 -0.00 0.00 -0.16 0.00 0.00 57.90 55.51 2dmw n TYR 97 Cb 0.09 -0.91 -0.00 0.00 -0.31 0.00 0.00 39.34 38.21 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 1.46 -0.01 -0.12 2.72 0.00 0.19 -2.81 103.07 104.50 2dmw h GLY 98 Ca 0.49 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.97 2dmw h GLY 98 CO 1.03 -0.00 0.09 1.76 0.00 0.00 0.00 176.54 179.41 2dmw h SER 99 N -0.48 -0.14 -0.53 0.19 0.02 -1.84 0.20 113.55 110.97 2dmw h SER 99 Ca -0.00 0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2dmw h SER 99 Cb 0.01 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2dmw h SER 99 CO 0.00 -0.09 0.25 0.03 -1.14 0.00 0.00 176.83 175.88 2dmw h ARG 100 N 0.19 0.81 -0.14 3.45 3.08 -1.88 -1.80 114.38 118.10 2dmw h ARG 100 Ca 0.38 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.36 2dmw h ARG 100 Cb 0.65 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2dmw h ARG 100 CO -0.54 0.65 0.39 0.00 -1.07 0.00 0.00 179.97 179.40 2dmw h ALA 101 N 1.46 1.61 0.00 0.04 0.00 -0.32 1.91 119.26 123.97 2dmw h ALA 101 Ca 0.20 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2dmw h ALA 101 Cb 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2dmw h ALA 101 CO -0.02 -0.46 -1.08 1.96 0.00 0.00 0.00 179.25 179.65 2dmw h GLN 102 N 0.00 0.00 0.00 0.00 1.08 -1.26 -3.42 115.11 111.51 2dmw h GLN 102 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2dmw h GLN 102 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2dmw h GLN 102 CO -0.00 0.55 -0.41 0.25 -0.95 0.00 0.00 178.83 178.27 2dmw n THR 103 N -3.12 1.22 -1.20 -0.54 -2.24 0.19 -5.03 114.28 103.55 2dmw n THR 103 Ca -0.05 0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.60 2dmw n THR 103 Cb 0.86 -1.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 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 -3.79 -2.61 -1.18 6.98 0.00 0.59 -4.91 120.51 115.60 2dmw n ALA 104 Ca -0.06 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.47 2dmw n ALA 104 Cb 0.21 -1.38 0.17 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.86 0.60 0.36 0.00 0.04 -1.26 -4.77 135.00 129.11 2dmw s PRO 105 Ca 0.55 0.58 -0.27 0.00 0.04 0.00 0.00 61.00 61.90 2dmw s PRO 105 Cb -0.80 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 2dmw s PRO 105 CO 0.48 -2.63 1.21 -1.25 0.04 0.00 0.00 177.00 174.85 2dmw s PRO 106 N -4.96 4.25 -1.24 0.56 0.04 -1.26 -3.28 135.00 129.11 2dmw s PRO 106 Ca 0.65 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 63.59 2dmw s PRO 106 Cb -0.18 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.46 2dmw s PRO 106 CO 0.57 -0.19 0.86 0.66 0.04 0.00 0.00 177.00 178.94 2dmw n TYR 107 N 0.51 -2.23 -0.13 0.56 4.01 -0.79 -4.92 117.16 114.16 2dmw n TYR 107 Ca 0.02 0.73 -0.25 0.00 -0.16 0.00 0.00 57.90 58.24 2dmw n TYR 107 Cb 0.44 -4.35 -0.11 0.00 -0.31 0.00 0.00 39.34 35.01 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 -4.21 1.24 -1.99 -0.72 0.00 -1.21 -4.58 120.51 109.05 2dmw n ALA 108 Ca -0.03 -1.04 -0.30 0.00 0.00 0.00 0.00 53.44 52.07 2dmw n ALA 108 Cb 0.57 -0.03 0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.88 3.23 0.07 0.00 0.00 -1.26 -4.67 117.12 110.60 2dmw n MET 109 Ca -0.49 -3.98 -0.11 0.00 0.00 0.00 0.00 57.70 53.12 2dmw n MET 109 Cb 0.92 -2.27 -0.13 0.00 0.00 0.00 0.00 33.22 31.74 2dmw n MET 109 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 2dmw h ASN 110 N 2.39 0.17 0.52 3.17 -1.07 -1.81 -3.12 115.58 115.84 2dmw h ASN 110 Ca 0.43 -0.19 -0.03 0.00 0.07 0.00 0.00 56.30 56.58 2dmw h ASN 110 Cb 0.96 -0.06 0.01 0.00 -2.07 0.00 0.00 38.32 37.16 2dmw h ASN 110 CO 1.07 1.16 -0.25 0.28 0.07 0.00 0.00 177.43 179.76 2dmw h SER 111 N 0.03 -0.60 0.12 6.14 0.02 -1.93 0.56 113.55 117.89 2dmw h SER 111 Ca -0.10 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2dmw h SER 111 Cb 1.88 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 64.53 2dmw h SER 111 CO 0.15 -0.26 -0.29 -0.33 -1.14 0.00 0.00 176.83 174.96 2dmw h GLU 112 N -0.96 -0.50 -0.75 3.45 3.07 -1.93 -2.17 114.58 114.80 2dmw h GLU 112 Ca -0.07 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 2dmw h GLU 112 Cb 0.62 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 2dmw h GLU 112 CO 0.12 -0.33 0.30 0.35 -1.40 0.00 0.00 179.01 178.05 2dmw h PHE 113 N -0.51 1.12 -0.47 4.33 3.57 -1.60 -2.45 116.94 120.93 2dmw h PHE 113 Ca 0.03 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.55 2dmw h PHE 113 Cb 0.54 -0.34 -0.09 0.00 2.79 0.00 0.00 35.95 38.85 2dmw h PHE 113 CO -0.26 0.85 -0.14 1.03 -2.23 0.00 0.00 178.31 177.56 2dmw h SER 114 N 1.08 -0.51 -0.05 0.41 0.87 0.66 0.32 113.55 116.33 2dmw h SER 114 Ca 0.25 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2dmw h SER 114 Cb 0.20 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2dmw h SER 114 CO -0.02 -0.18 0.00 -1.28 -0.53 0.00 0.00 176.83 174.82 2dmw h SER 115 N -0.03 0.09 0.35 6.23 0.87 -1.22 -2.32 113.55 117.52 2dmw h SER 115 Ca 0.23 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2dmw h SER 115 Cb 0.37 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2dmw h SER 115 CO -0.50 0.37 -0.39 0.58 -0.53 0.00 0.00 176.83 176.36 2dmw h VAL 116 N -0.19 0.00 -0.54 2.23 2.07 -0.91 -2.18 116.25 116.72 2dmw h VAL 116 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 2dmw h VAL 116 Cb 0.32 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.98 2dmw h VAL 116 CO 0.00 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.25 2dmw h LEU 117 N -0.76 -0.93 -0.82 2.57 3.38 -0.46 0.57 115.31 118.86 2dmw h LEU 117 Ca -0.04 0.20 0.20 0.00 0.09 0.00 0.00 57.88 58.33 2dmw h LEU 117 Cb 0.67 0.49 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 2dmw h LEU 117 CO -0.07 -0.28 0.16 0.00 0.09 0.00 0.00 178.44 178.35 2dmw h ALA 118 N 1.15 1.07 -0.63 1.53 0.00 -1.20 0.38 119.26 121.56 2dmw h ALA 118 Ca 0.24 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 2dmw h ALA 118 Cb 0.52 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2dmw h ALA 118 CO -0.62 -0.42 0.25 0.00 0.00 0.00 0.00 179.25 178.45 2dmw h ALA 119 N 1.72 1.25 -0.39 0.00 0.00 -0.26 -1.92 119.26 119.65 2dmw h ALA 119 Ca 0.48 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2dmw h ALA 119 Cb 0.91 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dmw h ALA 119 CO -0.62 0.55 0.07 1.96 0.00 0.00 0.00 179.25 181.21 2dmw h GLN 120 N 0.91 0.65 0.62 0.00 1.08 0.42 0.39 115.11 119.18 2dmw h GLN 120 Ca 0.21 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2dmw h GLN 120 Cb 0.18 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2dmw h GLN 120 CO -0.02 0.69 -0.30 -0.07 -0.95 0.00 0.00 178.83 178.19 2dmw h LEU 121 N 0.50 -0.70 -0.40 1.46 3.38 -0.88 0.46 115.31 119.12 2dmw h LEU 121 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2dmw h LEU 121 Cb 0.36 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2dmw h LEU 121 CO 0.01 -0.44 0.19 0.11 0.09 0.00 0.00 178.44 178.40 2dmw h LYS 122 N -0.92 0.59 0.41 1.13 1.57 -1.38 0.87 116.57 118.83 2dmw h LYS 122 Ca -0.08 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 2dmw h LYS 122 Cb 0.67 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2dmw h LYS 122 CO 0.14 0.52 -0.30 1.25 -0.57 0.00 0.00 179.45 180.50 2dmw h HIS 123 N 0.51 -0.80 -0.17 -1.35 2.76 -0.19 -3.12 115.15 112.79 2dmw h HIS 123 Ca 0.14 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2dmw h HIS 123 Cb 0.13 0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.35 2dmw h HIS 123 CO -0.01 -0.42 -0.11 0.45 -1.30 0.00 0.00 177.93 176.54 2dmw h HIS 124 N -0.68 -0.27 -3.23 5.26 3.86 -0.93 -3.40 115.15 115.77 2dmw h HIS 124 Ca -0.05 0.02 -0.65 0.00 -1.16 0.00 0.00 60.37 58.52 2dmw h HIS 124 Cb 0.56 0.15 -0.34 0.00 1.06 0.00 0.00 27.41 28.83 2dmw h HIS 124 CO -0.08 -0.17 -0.86 -1.54 0.86 0.00 0.00 177.93 176.14 2dmw s SER 125 N -5.12 2.94 -0.52 2.45 1.04 0.30 -5.08 113.70 109.71 2dmw s SER 125 Ca -0.14 -0.56 -0.27 0.00 0.48 0.00 0.00 55.95 55.46 2dmw s SER 125 Cb 0.11 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.86 2dmw s SER 125 CO 0.68 0.07 1.76 -0.44 0.98 0.00 0.00 173.24 176.29 2dmw s SER 126 N 0.82 5.61 1.36 7.02 0.01 -1.18 -3.63 113.70 123.71 2dmw s SER 126 Ca -0.08 0.63 -0.23 0.00 1.31 0.00 0.00 55.95 57.58 2dmw s SER 126 Cb -0.16 -2.53 0.34 0.00 0.21 0.00 0.00 66.02 63.89 2dmw s SER 126 CO -0.01 -2.05 1.02 -0.83 0.41 0.00 0.00 173.24 171.77 2dmw s GLY 127 N 6.83 1.50 0.05 3.44 0.00 -1.26 -4.94 107.32 112.94 2dmw s GLY 127 Ca 0.68 -1.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.09 2dmw s GLY 127 CO 0.25 -0.01 1.41 2.56 0.00 0.00 0.00 173.10 177.32 2dmw s PRO 128 N -5.36 4.29 0.02 2.90 0.04 -1.26 -4.97 135.00 130.67 2dmw s PRO 128 Ca 0.71 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.47 2dmw s PRO 128 Cb -0.09 -3.45 -0.06 0.00 0.04 0.00 0.00 34.50 30.94 2dmw s PRO 128 CO 0.56 -0.53 1.39 -1.54 0.04 0.00 0.00 177.00 176.92 2dmw s SER 129 N 1.62 6.86 -0.13 6.66 1.04 -1.26 -5.01 113.70 123.48 2dmw s SER 129 Ca 0.65 2.14 0.00 0.00 0.48 0.00 0.00 55.95 59.22 2dmw s SER 129 Cb -0.34 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.20 2dmw s SER 129 CO 0.28 -0.69 -0.14 -0.55 0.98 0.00 0.00 173.24 173.12 2dmw s SER 130 N 1.70 3.92 0.00 7.02 0.15 -1.26 -5.27 113.70 119.96 2dmw s SER 130 Ca 0.64 -0.35 0.26 0.00 0.70 0.00 0.00 55.95 57.19 2dmw s SER 130 Cb -0.32 -1.59 0.70 0.00 -1.71 0.00 0.00 66.02 63.09 2dmw s SER 130 CO 0.27 0.16 1.55 0.61 1.20 0.00 0.00 173.24 177.03