#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 2.89 -0.01 1.61 0.01 -1.26 -5.10 113.70 111.84 2dmw s SER 2 Ca 0.00 -3.17 0.07 0.00 1.31 0.00 0.00 55.95 54.17 2dmw s SER 2 Cb 0.00 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.33 2dmw s SER 2 CO 0.00 -0.17 -0.23 -0.44 0.41 0.00 0.00 173.24 172.81 2dmw s SER 3 N -0.27 2.74 -0.21 2.44 0.01 -1.26 -5.12 113.70 112.04 2dmw s SER 3 Ca 0.27 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 2dmw s SER 3 Cb -0.05 -0.30 0.06 0.00 0.21 0.00 0.00 66.02 65.94 2dmw s SER 3 CO -0.14 0.28 0.01 -0.83 0.41 0.00 0.00 173.24 172.96 2dmw s GLY 4 N -0.60 0.90 -0.32 3.44 0.00 -1.26 -5.09 107.32 104.39 2dmw s GLY 4 Ca 0.09 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.93 2dmw s GLY 4 CO -0.01 1.26 0.02 -0.56 0.00 0.00 0.00 173.10 173.80 2dmw s SER 5 N 1.70 4.65 -0.26 1.64 0.01 -1.26 -5.06 113.70 115.12 2dmw s SER 5 Ca -0.03 -1.95 -0.05 0.00 1.31 0.00 0.00 55.95 55.23 2dmw s SER 5 Cb -0.18 -1.57 0.14 0.00 0.21 0.00 0.00 66.02 64.62 2dmw s SER 5 CO -0.07 -0.34 0.51 -0.44 0.41 0.00 0.00 173.24 173.31 2dmw s SER 6 N 0.99 -0.65 -0.06 2.44 0.01 -1.26 -5.07 113.70 110.10 2dmw s SER 6 Ca 0.06 0.91 -0.05 0.00 1.31 0.00 0.00 55.95 58.19 2dmw s SER 6 Cb -0.19 1.74 0.02 0.00 0.21 0.00 0.00 66.02 67.80 2dmw s SER 6 CO -0.08 -0.25 0.09 0.61 0.41 0.00 0.00 173.24 174.02 2dmw n GLY 7 N 5.41 -5.44 3.53 3.44 0.00 -1.26 -4.93 105.19 105.95 2dmw n GLY 7 Ca -0.06 0.73 -0.41 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.60 3.49 0.18 1.61 1.00 -1.26 -4.98 119.30 118.74 2dmw s MET 8 Ca -0.11 -0.45 -0.16 0.00 0.00 0.00 0.00 55.69 54.97 2dmw s MET 8 Cb 0.01 -3.83 0.02 0.00 0.00 0.00 0.00 34.83 31.03 2dmw s MET 8 CO 0.29 -0.58 0.47 0.00 0.00 0.00 0.00 175.02 175.20 2dmw s ALA 9 N 2.06 -0.76 0.22 3.03 0.00 -1.26 -4.88 121.76 120.17 2dmw s ALA 9 Ca 0.12 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 2dmw s ALA 9 Cb -0.17 0.84 -0.15 0.00 0.00 0.00 0.00 23.12 23.65 2dmw s ALA 9 CO 0.12 -0.76 1.10 -0.89 0.00 0.00 0.00 175.76 175.33 2dmw n ILE 10 N -0.31 1.36 0.00 0.00 5.41 -1.26 -4.71 119.36 119.85 2dmw n ILE 10 Ca -0.10 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2dmw n ILE 10 Cb 0.63 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 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 1.72 0.72 -4.60 1.39 4.77 -1.12 -5.01 117.00 114.86 2dmw n LEU 11 Ca 0.13 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 2dmw n LEU 11 Cb 0.28 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 2dmw n LEU 11 CO 0.61 0.07 -0.31 0.12 -1.33 0.00 0.00 177.39 176.54 2dmw s PHE 12 N -1.96 3.12 -0.30 -1.77 5.36 -1.23 -2.40 117.98 118.80 2dmw s PHE 12 Ca 0.00 -0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 55.91 2dmw s PHE 12 Cb 0.00 -1.91 0.17 0.00 -0.34 0.00 0.00 43.02 40.94 2dmw s PHE 12 CO 0.00 0.22 0.64 0.00 -1.46 0.00 0.00 175.22 174.62 2dmw s ALA 13 N -0.16 -2.26 0.13 11.12 0.00 -1.25 -0.98 121.76 128.35 2dmw s ALA 13 Ca 0.05 1.97 0.01 0.00 0.00 0.00 0.00 51.96 53.99 2dmw s ALA 13 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2dmw s ALA 13 CO 0.02 -1.22 -0.01 0.14 0.00 0.00 0.00 175.76 174.69 2dmw s VAL 14 N 2.87 0.50 -0.15 0.00 -7.23 -1.00 -3.67 120.40 111.71 2dmw s VAL 14 Ca 0.12 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 2dmw s VAL 14 Cb -0.14 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 34.91 2dmw s VAL 14 CO -0.20 -0.65 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.04 2dmw s VAL 15 N -3.77 2.00 -0.04 1.32 1.01 -0.90 -2.94 120.40 117.07 2dmw s VAL 15 Ca 0.18 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 2dmw s VAL 15 Cb 0.06 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2dmw s VAL 15 CO -0.01 0.54 0.11 0.00 0.00 0.00 0.00 175.10 175.74 2dmw s ALA 16 N 0.98 -0.25 -0.77 5.51 0.00 -0.87 -2.46 121.76 123.90 2dmw s ALA 16 Ca -0.03 0.35 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 2dmw s ALA 16 Cb -0.15 -0.21 0.12 0.00 0.00 0.00 0.00 23.12 22.88 2dmw s ALA 16 CO -0.05 -0.07 0.95 -0.98 0.00 0.00 0.00 175.76 175.61 2dmw s ARG 17 N 0.24 3.34 1.30 0.00 1.70 -0.39 -0.55 118.95 124.58 2dmw s ARG 17 Ca -0.01 -1.49 0.00 0.00 -0.47 0.00 0.00 55.73 53.76 2dmw s ARG 17 Cb -0.03 -4.54 0.00 0.00 -0.57 0.00 0.00 34.95 29.82 2dmw s ARG 17 CO -0.01 -1.68 0.00 0.41 -1.08 0.00 0.00 175.30 172.94 2dmw n GLY 18 N 5.26 2.24 0.00 3.88 0.00 -1.26 -2.92 105.19 112.38 2dmw n GLY 18 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2dmw n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmw n THR 19 N 0.00 0.00 -3.54 2.61 -2.24 -1.26 -4.39 114.28 105.46 2dmw n THR 19 Ca 0.00 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 2dmw n THR 19 Cb 0.00 1.38 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 2dmw n THR 19 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dmw s THR 20 N -0.15 5.28 -0.22 4.28 2.01 -1.15 -5.00 115.64 120.69 2dmw s THR 20 Ca 0.00 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 2dmw s THR 20 Cb 0.00 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 2dmw s THR 20 CO 0.00 0.17 0.76 -0.63 -0.69 0.00 0.00 174.62 174.23 2dmw s ILE 21 N 1.82 4.91 -0.02 1.82 1.01 -1.26 -1.26 121.20 128.21 2dmw s ILE 21 Ca 0.08 1.43 -0.01 0.00 0.00 0.00 0.00 60.65 62.15 2dmw s ILE 21 Cb -0.16 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 2dmw s ILE 21 CO 0.11 -0.00 -0.02 0.18 0.00 0.00 0.00 174.94 175.20 2dmw n LEU 22 N 5.65 0.21 -4.05 2.97 4.77 -1.03 -3.43 117.00 122.09 2dmw n LEU 22 Ca 0.03 0.28 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 2dmw n LEU 22 Cb 0.48 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 2dmw n LEU 22 CO 0.46 -0.50 -0.49 0.00 -1.33 0.00 0.00 177.39 175.53 2dmw s ALA 23 N -2.97 2.14 -0.06 -1.18 0.00 -1.20 -2.53 121.76 115.95 2dmw s ALA 23 Ca -0.02 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2dmw s ALA 23 Cb 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2dmw s ALA 23 CO 0.03 -0.60 -0.20 -1.59 0.00 0.00 0.00 175.76 173.40 2dmw s LYS 24 N 1.35 2.64 -0.27 0.00 -2.85 -1.26 -2.13 119.74 117.22 2dmw s LYS 24 Ca 0.01 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.97 54.16 2dmw s LYS 24 Cb -0.15 -2.29 0.16 0.00 -2.06 0.00 0.00 37.83 33.50 2dmw s LYS 24 CO -0.10 0.43 0.48 -1.58 0.10 0.00 0.00 175.35 174.69 2dmw s HIS 25 N -0.27 -1.23 0.25 1.78 2.46 -1.24 -4.80 115.29 112.24 2dmw s HIS 25 Ca 0.00 1.13 0.05 0.00 0.47 0.00 0.00 55.06 56.71 2dmw s HIS 25 Cb -0.13 0.23 -0.05 0.00 -0.13 0.00 0.00 32.58 32.50 2dmw s HIS 25 CO 0.03 -0.84 -0.03 0.00 -2.47 0.00 0.00 174.74 171.43 2dmw s ALA 26 N 2.69 2.04 0.59 1.58 0.00 -1.26 -3.86 121.76 123.53 2dmw s ALA 26 Ca 0.15 -1.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.12 2dmw s ALA 26 Cb -0.14 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2dmw s ALA 26 CO -0.20 -0.18 1.08 -1.58 0.00 0.00 0.00 175.76 174.88 2dmw s TRP 27 N -3.25 2.85 -0.54 0.00 0.52 -1.01 -4.95 118.94 112.57 2dmw s TRP 27 Ca 0.29 1.54 -0.28 0.00 0.02 0.00 0.00 56.10 57.66 2dmw s TRP 27 Cb 0.05 -3.10 0.01 0.00 -1.15 0.00 0.00 33.47 29.28 2dmw s TRP 27 CO 0.10 -1.28 1.41 0.00 0.02 0.00 0.00 176.95 177.20 2dmw n GLY 29 N 5.23 -1.17 0.00 0.00 0.00 -1.26 -5.18 105.19 102.81 2dmw n GLY 29 Ca 0.13 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.28 5.46 3.13 -0.02 0.00 -1.26 -5.12 105.19 107.10 2dmw n GLY 30 Ca 0.00 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 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 1.00 5.25 -0.05 1.61 3.84 -1.26 -4.89 114.94 120.44 2dmw s ASN 31 Ca 0.00 -1.96 0.18 0.00 0.21 0.00 0.00 52.86 51.29 2dmw s ASN 31 Cb 0.00 -1.83 -0.28 0.00 -0.55 0.00 0.00 41.25 38.59 2dmw s ASN 31 CO 0.00 -0.53 0.35 0.49 -2.79 0.00 0.00 177.10 174.63 2dmw n PHE 32 N 4.61 0.00 0.34 0.43 3.72 -1.26 -4.32 117.46 120.97 2dmw n PHE 32 Ca -0.03 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.58 2dmw n PHE 32 Cb 0.41 -0.50 1.11 0.00 -0.94 0.00 0.00 39.48 39.57 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 0.18 4.37 5.85 -1.98 -0.30 115.31 123.42 2dmw h LEU 33 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dmw h LEU 33 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2dmw h LEU 33 CO 0.00 0.00 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.94 2dmw h GLU 34 N 0.00 -0.23 -0.23 1.25 4.81 -2.00 -2.13 114.58 116.05 2dmw h GLU 34 Ca 0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2dmw h GLU 34 Cb 0.19 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2dmw h GLU 34 CO -0.00 -0.15 0.12 -0.24 -0.73 0.00 0.00 179.01 178.01 2dmw h VAL 35 N -0.63 1.08 0.18 0.32 3.04 -1.76 -2.35 116.25 116.13 2dmw h VAL 35 Ca -0.02 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.46 2dmw h VAL 35 Cb 0.18 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2dmw h VAL 35 CO 0.04 0.08 -0.09 0.74 -1.01 0.00 0.00 177.57 177.34 2dmw h THR 36 N 0.31 0.94 -0.62 3.17 2.02 -1.16 -2.13 112.91 115.43 2dmw h THR 36 Ca 0.08 -0.66 0.08 0.00 0.77 0.00 0.00 66.41 66.68 2dmw h THR 36 Cb 0.02 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 2dmw h THR 36 CO -0.01 0.15 0.29 -0.33 0.37 0.00 0.00 175.52 175.99 2dmw h GLU 37 N -0.57 0.51 -0.51 6.66 5.08 -1.12 0.13 114.58 124.76 2dmw h GLU 37 Ca -0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2dmw h GLU 37 Cb 0.43 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2dmw h GLU 37 CO 0.04 0.34 0.31 1.96 -1.00 0.00 0.00 179.01 180.66 2dmw h GLN 38 N 0.52 0.61 -0.51 2.33 1.08 -1.41 -2.03 115.11 115.70 2dmw h GLN 38 Ca 0.30 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 2dmw h GLN 38 Cb 0.29 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2dmw h GLN 38 CO -0.24 0.41 0.16 0.82 -0.95 0.00 0.00 178.83 179.02 2dmw h ILE 39 N 0.63 1.23 -0.42 2.54 1.08 -0.66 -3.00 117.51 118.92 2dmw h ILE 39 Ca 0.20 -0.77 0.06 0.00 -0.39 0.00 0.00 64.86 63.95 2dmw h ILE 39 Cb -0.01 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 2dmw h ILE 39 CO -0.07 0.29 0.12 -0.07 -0.69 0.00 0.00 178.15 177.72 2dmw h LEU 40 N 0.70 0.10 0.00 1.44 3.38 -0.63 0.21 115.31 120.50 2dmw h LEU 40 Ca 0.17 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2dmw h LEU 40 Cb 0.27 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dmw h LEU 40 CO -0.01 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 2dmw n ALA 41 N -2.41 1.00 -0.09 1.53 0.00 -0.80 -1.22 120.51 118.52 2dmw n ALA 41 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 2dmw n ALA 41 Cb 0.17 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.49 1.12 -2.39 0.00 5.02 0.55 -4.95 118.16 116.02 2dmw n LYS 42 Ca 0.00 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2dmw n LYS 42 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 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 4.01 1.23 -0.18 1.01 -0.15 -5.03 121.20 119.69 2dmw s ILE 43 Ca -0.12 1.41 -0.20 0.00 0.00 0.00 0.00 60.65 61.73 2dmw s ILE 43 Cb 0.05 -3.90 0.30 0.00 0.01 0.00 0.00 42.46 38.92 2dmw s ILE 43 CO 0.65 0.06 1.11 -2.16 0.00 0.00 0.00 174.94 174.60 2dmw s PRO 44 N 1.59 -1.48 0.00 2.79 0.04 -1.26 -4.91 135.00 131.76 2dmw s PRO 44 Ca 0.59 -0.16 0.17 0.00 0.04 0.00 0.00 61.00 61.64 2dmw s PRO 44 Cb -0.29 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2dmw s PRO 44 CO 0.27 -3.87 0.90 -1.13 0.04 0.00 0.00 177.00 173.21 2dmw n SER 45 N -4.85 1.67 -4.76 6.66 3.41 -1.26 -4.89 113.62 109.60 2dmw n SER 45 Ca 0.15 -1.33 -0.41 0.00 -0.26 0.00 0.00 58.87 57.02 2dmw n SER 45 Cb 0.60 0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 65.01 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 -2.05 4.55 -0.67 4.33 8.01 -1.26 -4.57 118.70 127.04 2dmw s GLU 46 Ca 0.14 1.91 -0.26 0.00 0.01 0.00 0.00 54.97 56.78 2dmw s GLU 46 Cb 0.14 -3.17 -0.13 0.00 -4.31 0.00 0.00 34.13 26.67 2dmw s GLU 46 CO 0.45 0.07 2.45 0.27 0.01 0.00 0.00 175.26 178.52 2dmw n ASN 47 N 1.29 1.65 -3.63 -0.19 6.94 -1.26 -4.83 115.26 115.23 2dmw n ASN 47 Ca -0.00 -0.62 -0.10 0.00 -0.02 0.00 0.00 54.58 53.83 2dmw n ASN 47 Cb 0.44 -1.43 -0.07 0.00 -2.36 0.00 0.00 39.78 36.36 2dmw n ASN 47 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2dmw s ASN 48 N 10.71 -0.51 0.28 0.53 2.47 -1.26 -5.03 114.94 122.12 2dmw s ASN 48 Ca 1.05 0.94 0.11 0.00 0.42 0.00 0.00 52.86 55.38 2dmw s ASN 48 Cb -0.38 0.94 -0.05 0.00 -1.45 0.00 0.00 41.25 40.32 2dmw s ASN 48 CO 0.28 -0.20 -0.10 -1.59 -3.72 0.00 0.00 177.10 171.77 2dmw s LYS 49 N 0.12 1.99 -0.24 0.43 -2.85 -1.26 -3.84 119.74 114.09 2dmw s LYS 49 Ca 0.02 -1.60 -0.27 0.00 -1.00 0.00 0.00 55.97 53.12 2dmw s LYS 49 Cb -0.05 -1.96 0.13 0.00 -2.06 0.00 0.00 37.83 33.89 2dmw s LYS 49 CO -0.04 0.34 1.06 -1.17 0.10 0.00 0.00 175.35 175.64 2dmw s LEU 50 N -3.60 -0.39 -0.28 2.77 0.20 -1.25 -5.09 118.68 111.04 2dmw s LEU 50 Ca 0.31 0.64 -0.21 0.00 0.69 0.00 0.00 54.13 55.56 2dmw s LEU 50 Cb -0.05 1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 47.50 2dmw s LEU 50 CO 0.18 -0.20 0.69 -0.89 -0.29 0.00 0.00 176.35 175.83 2dmw s THR 51 N -0.25 4.91 -0.30 3.68 2.01 -1.26 -4.11 115.64 120.32 2dmw s THR 51 Ca 0.02 1.10 -0.07 0.00 0.31 0.00 0.00 61.69 63.05 2dmw s THR 51 Cb -0.03 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.46 2dmw s THR 51 CO -0.04 -0.10 0.08 -0.47 -0.69 0.00 0.00 174.62 173.40 2dmw s TYR 52 N 2.68 3.16 -0.85 4.92 6.14 -1.15 -4.97 117.35 127.28 2dmw s TYR 52 Ca 0.28 -1.03 -0.18 0.00 0.64 0.00 0.00 57.07 56.78 2dmw s TYR 52 Cb -0.15 -2.26 0.14 0.00 0.42 0.00 0.00 41.96 40.11 2dmw s TYR 52 CO 0.10 -0.59 1.00 -1.54 0.64 0.00 0.00 175.55 175.16 2dmw s SER 53 N 1.49 6.56 0.07 4.32 1.04 -1.26 -0.28 113.70 125.64 2dmw s SER 53 Ca 0.02 -1.99 0.09 0.00 0.48 0.00 0.00 55.95 54.55 2dmw s SER 53 Cb -0.17 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2dmw s SER 53 CO 0.03 -1.02 -0.26 -2.28 0.98 0.00 0.00 173.24 170.69 2dmw s HIS 54 N 2.38 2.25 -1.45 5.02 2.46 -0.83 -4.73 115.29 120.38 2dmw s HIS 54 Ca 0.27 -0.40 -0.09 0.00 0.47 0.00 0.00 55.06 55.31 2dmw s HIS 54 Cb -0.09 -1.31 0.05 0.00 -0.13 0.00 0.00 32.58 31.10 2dmw s HIS 54 CO -0.06 0.18 0.86 0.41 -2.47 0.00 0.00 174.74 173.66 2dmw n GLY 55 N 1.55 -0.41 2.33 1.59 0.00 -1.26 -0.45 105.19 108.54 2dmw n GLY 55 Ca -0.17 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.92 -4.28 -4.08 1.61 3.02 -1.26 -4.92 115.26 102.42 2dmw n ASN 56 Ca -0.09 0.21 -0.25 0.00 -0.03 0.00 0.00 54.58 54.42 2dmw n ASN 56 Cb 0.59 -3.71 -0.08 0.00 -0.61 0.00 0.00 39.78 35.96 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 -2.58 1.78 -0.20 3.10 1.51 0.40 -4.25 117.35 117.11 2dmw s TYR 57 Ca 0.00 -1.30 0.01 0.00 -1.01 0.00 0.00 57.07 54.77 2dmw s TYR 57 Cb 0.00 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.75 2dmw s TYR 57 CO 0.00 -0.33 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.43 2dmw s LEU 58 N -3.58 2.48 -0.68 -1.29 1.43 -0.81 -1.97 118.68 114.25 2dmw s LEU 58 Ca 0.25 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 2dmw s LEU 58 Cb 0.03 -1.50 0.17 0.00 0.03 0.00 0.00 46.19 44.92 2dmw s LEU 58 CO 0.15 -0.05 0.62 -0.36 0.23 0.00 0.00 176.35 176.94 2dmw s PHE 59 N 1.25 3.53 -0.38 0.29 0.40 0.62 -2.78 117.98 120.90 2dmw s PHE 59 Ca 0.02 -1.77 -0.24 0.00 -0.60 0.00 0.00 56.93 54.34 2dmw s PHE 59 Cb -0.15 -3.75 0.01 0.00 0.51 0.00 0.00 43.02 39.65 2dmw s PHE 59 CO -0.11 -0.99 0.84 -1.01 0.70 0.00 0.00 175.22 174.65 2dmw s HIS 60 N 0.78 3.07 -0.09 0.36 3.76 -1.19 -2.95 115.29 119.02 2dmw s HIS 60 Ca 0.11 0.56 0.04 0.00 -0.15 0.00 0.00 55.06 55.63 2dmw s HIS 60 Cb -0.19 -3.57 -0.00 0.00 1.11 0.00 0.00 32.58 29.93 2dmw s HIS 60 CO -0.04 -0.83 -0.24 1.52 -0.85 0.00 0.00 174.74 174.31 2dmw s TYR 61 N 3.31 2.52 -0.25 1.40 -0.85 -1.26 -2.94 117.35 119.28 2dmw s TYR 61 Ca 0.34 -1.01 0.03 0.00 -0.52 0.00 0.00 57.07 55.91 2dmw s TYR 61 Cb -0.12 -1.69 0.06 0.00 0.38 0.00 0.00 41.96 40.59 2dmw s TYR 61 CO 0.19 -0.40 -0.11 0.42 -1.52 0.00 0.00 175.55 174.13 2dmw s ILE 62 N 0.29 2.10 -0.00 -3.49 1.01 -1.15 -3.86 121.20 116.10 2dmw s ILE 62 Ca -0.17 -1.56 -0.29 0.00 0.00 0.00 0.00 60.65 58.63 2dmw s ILE 62 Cb -0.18 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 2dmw s ILE 62 CO 0.08 -0.00 0.93 0.00 0.00 0.00 0.00 174.94 175.95 2dmw s GLN 64 N 0.87 0.61 -1.46 0.00 2.00 0.15 -4.32 119.66 117.51 2dmw s GLN 64 Ca 0.49 1.15 -0.09 0.00 -2.00 0.00 0.00 55.36 54.90 2dmw s GLN 64 Cb -0.21 0.28 0.04 0.00 0.80 0.00 0.00 33.01 33.92 2dmw s GLN 64 CO 0.26 -0.14 0.84 -3.47 -0.50 0.00 0.00 175.29 172.28 2dmw n ASP 65 N 4.45 -5.41 -1.50 6.67 -0.08 -1.26 -0.67 116.55 118.74 2dmw n ASP 65 Ca -0.18 -0.51 -0.14 0.00 -1.51 0.00 0.00 54.79 52.46 2dmw n ASP 65 Cb 0.57 -4.34 -0.02 0.00 2.34 0.00 0.00 41.12 39.67 2dmw n ASP 65 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2dmw n ARG 66 N -4.41 -1.08 -4.64 -0.67 5.12 -1.26 -5.00 116.66 104.71 2dmw n ARG 66 Ca -0.02 0.73 -0.25 0.00 -1.93 0.00 0.00 57.85 56.37 2dmw n ARG 66 Cb 0.56 -4.97 -0.16 0.00 -1.16 0.00 0.00 32.46 26.73 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 -2.66 1.20 -0.20 0.55 -1.09 0.15 -4.14 121.20 115.01 2dmw s ILE 67 Ca 0.00 -0.53 -0.05 0.00 -2.23 0.00 0.00 60.65 57.84 2dmw s ILE 67 Cb 0.00 -1.09 -0.02 0.00 -1.58 0.00 0.00 42.46 39.77 2dmw s ILE 67 CO 0.00 0.37 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.38 2dmw s VAL 68 N 0.56 3.82 -0.54 2.92 1.01 0.28 -0.68 120.40 127.78 2dmw s VAL 68 Ca -0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 2dmw s VAL 68 Cb -0.15 -2.73 0.14 0.00 0.00 0.00 0.00 36.38 33.64 2dmw s VAL 68 CO 0.04 0.43 0.41 -0.31 0.00 0.00 0.00 175.10 175.66 2dmw s TYR 69 N 1.09 3.48 0.07 5.22 1.51 -1.15 -2.05 117.35 125.51 2dmw s TYR 69 Ca 0.02 -2.09 -0.07 0.00 -1.01 0.00 0.00 57.07 53.92 2dmw s TYR 69 Cb -0.14 -3.47 -0.05 0.00 -0.11 0.00 0.00 41.96 38.19 2dmw s TYR 69 CO 0.01 -0.96 0.34 -1.17 -1.11 0.00 0.00 175.55 172.66 2dmw s LEU 70 N 0.93 4.34 -0.17 -1.29 0.20 -1.15 -2.96 118.68 118.58 2dmw s LEU 70 Ca 0.09 0.64 -0.08 0.00 0.69 0.00 0.00 54.13 55.48 2dmw s LEU 70 Cb -0.23 -2.94 0.06 0.00 -0.43 0.00 0.00 46.19 42.66 2dmw s LEU 70 CO -0.02 0.18 0.40 0.00 -0.29 0.00 0.00 176.35 176.61 2dmw s ILE 72 N 1.66 4.99 0.07 0.00 1.01 -0.15 -3.20 121.20 125.58 2dmw s ILE 72 Ca -0.08 1.38 -0.00 0.00 0.00 0.00 0.00 60.65 61.95 2dmw s ILE 72 Cb -0.09 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2dmw s ILE 72 CO -0.12 0.13 -0.04 0.42 0.00 0.00 0.00 174.94 175.33 2dmw s THR 73 N 1.63 0.38 0.60 2.92 -4.23 -1.12 -2.80 115.64 113.02 2dmw s THR 73 Ca 0.34 -1.86 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 2dmw s THR 73 Cb -0.16 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 2dmw s THR 73 CO 0.13 -0.93 1.12 -0.62 -0.54 0.00 0.00 174.62 173.78 2dmw s ASP 74 N -2.97 5.43 0.13 3.99 2.15 -1.26 -1.93 116.67 122.22 2dmw s ASP 74 Ca 0.09 2.10 -0.19 0.00 0.43 0.00 0.00 52.55 54.98 2dmw s ASP 74 Cb 0.07 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2dmw s ASP 74 CO -0.08 -1.41 1.72 -2.24 -0.17 0.00 0.00 175.17 172.99 2dmw h ASP 75 N 0.67 -0.09 -0.73 -0.34 2.03 -1.91 -2.29 116.42 113.76 2dmw h ASP 75 Ca -0.49 0.05 0.10 0.00 -0.73 0.00 0.00 57.03 55.97 2dmw h ASP 75 Cb 1.26 0.09 -0.08 0.00 -0.83 0.00 0.00 39.33 39.77 2dmw h ASP 75 CO 0.56 -0.02 0.36 -0.78 -1.03 0.00 0.00 179.24 178.33 2dmw h ASP 76 N 0.06 0.45 -1.20 4.15 3.58 -1.94 -3.43 116.42 118.10 2dmw h ASP 76 Ca 0.10 0.07 -0.75 0.00 0.42 0.00 0.00 57.03 56.87 2dmw h ASP 76 Cb 0.13 -0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.23 2dmw h ASP 76 CO -0.17 0.24 0.08 0.33 -2.88 0.00 0.00 179.24 176.85 2dmw n PHE 77 N -4.88 0.73 -1.55 0.28 7.35 -0.86 -4.88 117.46 113.65 2dmw n PHE 77 Ca 0.12 0.94 -0.33 0.00 -0.76 0.00 0.00 57.45 57.42 2dmw n PHE 77 Cb 0.30 -2.13 0.07 0.00 0.35 0.00 0.00 39.48 38.07 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 -0.05 2.45 -0.07 -4.13 2.56 -1.26 -4.92 118.70 113.28 2dmw s GLU 78 Ca 0.86 1.48 -0.23 0.00 0.00 0.00 0.00 54.97 57.07 2dmw s GLU 78 Cb -1.14 -1.90 -0.19 0.00 2.00 0.00 0.00 34.13 32.90 2dmw s GLU 78 CO 0.55 -1.54 0.89 0.00 -0.56 0.00 0.00 175.26 174.60 2dmw h ARG 79 N -0.31 -0.09 -0.92 4.30 3.08 -1.94 -3.21 114.38 115.31 2dmw h ARG 79 Ca -0.46 0.01 0.19 0.00 0.07 0.00 0.00 59.98 59.79 2dmw h ARG 79 Cb 1.26 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 31.16 2dmw h ARG 79 CO 0.52 0.50 -0.18 0.77 -1.07 0.00 0.00 179.97 180.50 2dmw h SER 80 N -0.82 -0.77 0.40 7.04 0.02 -1.98 0.93 113.55 118.37 2dmw h SER 80 Ca -0.01 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2dmw h SER 80 Cb 0.62 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2dmw h SER 80 CO 0.02 -0.30 -0.40 0.03 -1.14 0.00 0.00 176.83 175.03 2dmw h ARG 81 N 0.01 -0.79 0.16 3.45 3.08 -1.97 0.32 114.38 118.63 2dmw h ARG 81 Ca 0.46 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.58 2dmw h ARG 81 Cb 0.75 0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 2dmw h ARG 81 CO -0.93 -0.53 -0.47 0.00 -1.07 0.00 0.00 179.97 176.98 2dmw h ALA 82 N -0.45 -0.87 -0.97 0.04 0.00 -0.96 -1.28 119.26 114.76 2dmw h ALA 82 Ca -0.03 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2dmw h ALA 82 Cb 0.73 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 2dmw h ALA 82 CO -0.06 -1.06 0.62 0.74 0.00 0.00 0.00 179.25 179.48 2dmw h PHE 83 N -0.73 1.06 0.16 0.00 0.04 -0.83 -2.02 116.94 114.62 2dmw h PHE 83 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2dmw h PHE 83 Cb 0.73 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 2dmw h PHE 83 CO -0.39 0.42 -0.11 -0.97 -0.60 0.00 0.00 178.31 176.65 2dmw h ASN 84 N 0.92 -0.29 -0.68 2.17 -1.24 0.55 -0.83 115.58 116.19 2dmw h ASN 84 Ca 0.48 0.02 0.13 0.00 0.71 0.00 0.00 56.30 57.64 2dmw h ASN 84 Cb 0.54 0.09 -0.13 0.00 0.73 0.00 0.00 38.32 39.55 2dmw h ASN 84 CO -0.25 -0.17 -0.27 0.15 -1.29 0.00 0.00 177.43 175.60 2dmw h PHE 85 N -0.26 -0.70 -0.55 0.67 3.57 -1.10 0.99 116.94 119.57 2dmw h PHE 85 Ca -0.02 0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.66 2dmw h PHE 85 Cb 0.21 0.41 -0.09 0.00 2.79 0.00 0.00 35.95 39.27 2dmw h PHE 85 CO 0.02 -0.35 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.67 2dmw h LEU 86 N -0.08 -0.25 -0.68 0.59 3.38 -1.30 -0.63 115.31 116.34 2dmw h LEU 86 Ca 0.29 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.43 2dmw h LEU 86 Cb 0.55 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2dmw h LEU 86 CO -0.73 -0.09 0.42 -1.13 0.09 0.00 0.00 178.44 177.00 2dmw h ASN 87 N 0.11 0.69 0.10 -0.43 -0.73 0.65 0.44 115.58 116.41 2dmw h ASN 87 Ca 0.28 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 2dmw h ASN 87 Cb 0.44 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 2dmw h ASN 87 CO -0.47 0.48 -0.11 -0.33 -0.37 0.00 0.00 177.43 176.63 2dmw h GLU 88 N 0.83 -0.20 -0.98 6.67 4.39 0.18 -0.61 114.58 124.85 2dmw h GLU 88 Ca 0.27 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.01 2dmw h GLU 88 Cb 0.02 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2dmw h GLU 88 CO -0.11 -0.14 0.65 -0.84 -1.16 0.00 0.00 179.01 177.42 2dmw h ILE 89 N -0.21 1.22 -0.44 3.13 3.07 -1.37 -1.92 117.51 120.99 2dmw h ILE 89 Ca -0.01 -0.44 0.09 0.00 1.55 0.00 0.00 64.86 66.04 2dmw h ILE 89 Cb 0.19 -0.19 -0.09 0.00 -0.27 0.00 0.00 36.82 36.46 2dmw h ILE 89 CO -0.02 0.24 -0.14 0.50 -1.05 0.00 0.00 178.15 177.68 2dmw h LYS 90 N 1.30 -0.03 -0.13 0.16 3.64 0.05 0.35 116.57 121.90 2dmw h LYS 90 Ca 0.37 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.66 2dmw h LYS 90 Cb -0.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2dmw h LYS 90 CO -0.10 -0.02 -0.37 0.87 -2.27 0.00 0.00 179.45 177.55 2dmw h LYS 91 N -0.04 0.27 -0.16 1.90 1.57 -0.75 -2.08 116.57 117.28 2dmw h LYS 91 Ca 0.21 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2dmw h LYS 91 Cb 0.36 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2dmw h LYS 91 CO -0.47 0.61 -0.38 0.00 -0.57 0.00 0.00 179.45 178.64 2dmw h ARG 92 N 0.23 0.35 0.04 3.15 3.08 -0.24 0.46 114.38 121.46 2dmw h ARG 92 Ca 0.02 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2dmw h ARG 92 Cb 0.77 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2dmw h ARG 92 CO 0.06 0.68 -0.02 0.35 -1.07 0.00 0.00 179.97 179.97 2dmw h PHE 93 N 0.30 -0.05 0.00 3.04 3.57 -0.15 -1.40 116.94 122.24 2dmw h PHE 93 Ca 0.03 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2dmw h PHE 93 Cb 0.80 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 2dmw h PHE 93 CO 0.02 0.58 -0.10 -0.56 -2.23 0.00 0.00 178.31 176.03 2dmw h GLN 94 N -0.78 0.00 0.23 1.11 3.07 -1.40 0.91 115.11 118.25 2dmw h GLN 94 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.39 2dmw h GLN 94 Cb 0.66 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.25 2dmw h GLN 94 CO 0.01 0.10 -1.59 1.15 0.09 0.00 0.00 178.83 178.59 2dmw h THR 95 N 0.00 1.15 0.00 1.86 2.02 -0.92 -3.18 112.91 113.84 2dmw h THR 95 Ca -0.00 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.54 2dmw h THR 95 Cb 0.48 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 2dmw h THR 95 CO 0.01 0.83 -0.46 0.41 0.37 0.00 0.00 175.52 176.68 2dmw n THR 96 N -3.67 0.71 -0.77 3.16 -1.04 -0.53 -4.60 114.28 107.54 2dmw n THR 96 Ca -0.20 0.33 -0.20 0.00 -2.04 0.00 0.00 64.05 61.94 2dmw n THR 96 Cb 1.10 -1.90 0.10 0.00 -1.82 0.00 0.00 70.33 67.81 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 -3.42 2.24 0.08 -1.42 4.01 0.24 -4.55 117.16 114.34 2dmw n TYR 97 Ca -0.06 -1.81 -0.04 0.00 -0.16 0.00 0.00 57.90 55.82 2dmw n TYR 97 Cb 0.24 -0.90 -0.02 0.00 -0.31 0.00 0.00 39.34 38.35 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 2.01 -0.26 -0.23 2.72 0.00 0.48 -2.58 103.07 105.21 2dmw h GLY 98 Ca 0.45 0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.97 2dmw h GLY 98 CO 0.92 -0.09 -0.28 1.76 0.00 0.00 0.00 176.54 178.84 2dmw h SER 99 N -0.66 -0.95 -0.84 0.19 0.02 -1.80 0.17 113.55 109.68 2dmw h SER 99 Ca -0.03 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 2dmw h SER 99 Cb 0.19 0.48 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 2dmw h SER 99 CO 0.04 -0.28 0.54 0.03 -1.14 0.00 0.00 176.83 176.02 2dmw h ARG 100 N -0.17 0.78 0.00 3.45 3.08 -1.87 0.12 114.38 119.77 2dmw h ARG 100 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2dmw h ARG 100 Cb 0.51 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2dmw h ARG 100 CO -0.59 0.52 0.11 0.00 -1.07 0.00 0.00 179.97 178.94 2dmw n ALA 101 N -2.43 0.88 -0.05 0.04 0.00 0.59 0.11 120.51 119.65 2dmw n ALA 101 Ca 0.14 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 2dmw n ALA 101 Cb 0.31 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 2dmw n ALA 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dmw n GLN 102 N -2.16 1.12 -0.00 0.00 1.13 0.37 -4.84 117.38 113.00 2dmw n GLN 102 Ca -0.01 -0.06 -0.02 0.00 -1.94 0.00 0.00 57.00 54.97 2dmw n GLN 102 Cb 0.14 -1.41 -0.01 0.00 0.11 0.00 0.00 30.24 29.08 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 -2.42 0.62 -1.03 5.09 -2.24 0.09 -5.04 114.28 109.34 2dmw n THR 103 Ca -0.18 0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 2dmw n THR 103 Cb 0.83 -1.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.52 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 -3.14 -2.46 -1.16 6.98 0.00 0.29 -4.90 120.51 116.11 2dmw n ALA 104 Ca -0.03 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 2dmw n ALA 104 Cb 0.10 -1.19 0.18 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.75 0.43 0.51 0.00 0.04 -1.26 -4.76 135.00 129.21 2dmw s PRO 105 Ca 0.47 0.53 -0.21 0.00 0.04 0.00 0.00 61.00 61.83 2dmw s PRO 105 Cb -0.64 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 2dmw s PRO 105 CO 0.43 -2.73 1.14 -1.25 0.04 0.00 0.00 177.00 174.63 2dmw s PRO 106 N -4.96 3.51 -1.53 0.56 0.04 -1.26 -3.25 135.00 128.10 2dmw s PRO 106 Ca 0.65 1.67 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 2dmw s PRO 106 Cb -0.19 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.21 2dmw s PRO 106 CO 0.58 -0.74 0.37 0.66 0.04 0.00 0.00 177.00 177.91 2dmw n TYR 107 N -1.00 -1.64 -0.12 0.56 4.01 -1.05 -4.89 117.16 113.04 2dmw n TYR 107 Ca 0.10 0.33 -0.23 0.00 -0.16 0.00 0.00 57.90 57.93 2dmw n TYR 107 Cb 0.50 -3.98 -0.09 0.00 -0.31 0.00 0.00 39.34 35.45 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 -3.02 0.96 -1.66 -0.72 0.00 -1.20 -4.52 120.51 110.36 2dmw n ALA 108 Ca -0.14 -0.80 -0.33 0.00 0.00 0.00 0.00 53.44 52.17 2dmw n ALA 108 Cb 0.63 -0.15 0.05 0.00 0.00 0.00 0.00 19.45 19.98 2dmw n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmw n MET 109 N -4.36 2.94 0.06 0.00 0.00 -1.26 -4.57 117.12 109.93 2dmw n MET 109 Ca -0.40 -3.60 -0.11 0.00 0.00 0.00 0.00 57.70 53.60 2dmw n MET 109 Cb 0.74 -2.28 -0.13 0.00 0.00 0.00 0.00 33.22 31.55 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 2.27 0.16 0.34 3.17 -1.07 -1.79 -3.19 115.58 115.47 2dmw h ASN 110 Ca 0.53 -0.20 -0.02 0.00 0.07 0.00 0.00 56.30 56.69 2dmw h ASN 110 Cb 0.82 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.02 2dmw h ASN 110 CO 1.35 1.16 -0.16 0.28 0.07 0.00 0.00 177.43 180.13 2dmw h SER 111 N 0.03 -0.39 -0.43 6.14 0.02 -1.92 0.38 113.55 117.39 2dmw h SER 111 Ca -0.12 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2dmw h SER 111 Cb 1.89 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 64.44 2dmw h SER 111 CO 0.15 -0.20 -0.35 -0.33 -1.14 0.00 0.00 176.83 174.95 2dmw h GLU 112 N -0.60 -0.25 -0.03 3.45 3.07 -1.91 -1.68 114.58 116.62 2dmw h GLU 112 Ca -0.05 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2dmw h GLU 112 Cb 0.35 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2dmw h GLU 112 CO 0.08 -0.17 0.02 0.35 -1.40 0.00 0.00 179.01 177.89 2dmw h PHE 113 N -0.26 0.04 -0.97 4.33 3.57 -1.64 -2.38 116.94 119.64 2dmw h PHE 113 Ca 0.17 -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 -0.18 0.00 2.79 0.00 0.00 35.95 39.10 2dmw h PHE 113 CO -0.57 0.08 -0.02 1.03 -2.23 0.00 0.00 178.31 176.59 2dmw h SER 114 N -0.00 -0.54 -0.08 0.41 0.87 0.68 0.33 113.55 115.21 2dmw h SER 114 Ca 0.01 0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 2dmw h SER 114 Cb 0.04 0.50 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2dmw h SER 114 CO -0.00 -0.33 -0.05 0.77 -0.53 0.00 0.00 176.83 176.68 2dmw h SER 115 N 0.02 0.18 -0.15 6.23 4.64 -1.17 -2.37 113.55 120.92 2dmw h SER 115 Ca 0.56 -0.44 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2dmw h SER 115 Cb 1.10 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 2dmw h SER 115 CO -0.92 0.58 -0.23 0.58 -0.87 0.00 0.00 176.83 175.98 2dmw h VAL 116 N -0.23 0.44 0.06 0.95 2.07 -0.01 -2.20 116.25 117.33 2dmw h VAL 116 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2dmw h VAL 116 Cb 0.52 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2dmw h VAL 116 CO 0.01 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.37 2dmw h LEU 117 N -0.28 -0.47 -0.88 2.57 3.38 -0.65 -2.07 115.31 116.92 2dmw h LEU 117 Ca 0.11 0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.37 2dmw h LEU 117 Cb 0.44 0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 2dmw h LEU 117 CO -0.31 -0.24 0.15 0.00 0.09 0.00 0.00 178.44 178.13 2dmw h ALA 118 N 0.57 1.17 -0.32 1.53 0.00 -1.03 0.28 119.26 121.46 2dmw h ALA 118 Ca 0.03 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2dmw h ALA 118 Cb 0.34 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2dmw h ALA 118 CO -0.12 -0.49 0.08 0.00 0.00 0.00 0.00 179.25 178.72 2dmw h ALA 119 N 1.82 0.42 -0.78 0.00 0.00 -0.87 -1.01 119.26 118.83 2dmw h ALA 119 Ca 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2dmw h ALA 119 Cb 1.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2dmw h ALA 119 CO -0.72 0.07 0.46 1.96 0.00 0.00 0.00 179.25 181.02 2dmw h GLN 120 N 0.35 1.06 0.60 0.00 1.08 0.05 -0.38 115.11 117.87 2dmw h GLN 120 Ca 0.10 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2dmw h GLN 120 Cb 0.28 -0.22 0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2dmw h GLN 120 CO 0.00 0.76 -0.29 -0.07 -0.95 0.00 0.00 178.83 178.28 2dmw h LEU 121 N 1.07 -0.68 -1.00 1.46 3.38 -0.49 0.28 115.31 119.33 2dmw h LEU 121 Ca 0.28 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.38 2dmw h LEU 121 Cb -0.03 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 2dmw h LEU 121 CO -0.05 -0.33 0.61 0.50 0.09 0.00 0.00 178.44 179.26 2dmw h LYS 122 N -1.07 0.84 0.43 1.13 3.64 -1.14 -2.40 116.57 118.00 2dmw h LYS 122 Ca -0.08 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2dmw h LYS 122 Cb 0.67 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2dmw h LYS 122 CO 0.14 0.56 -0.21 1.25 -2.27 0.00 0.00 179.45 178.92 2dmw h HIS 123 N 0.87 -0.53 -0.77 1.91 2.76 -1.00 -3.33 115.15 115.05 2dmw h HIS 123 Ca 0.54 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.78 2dmw h HIS 123 Cb 0.70 0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.74 2dmw h HIS 123 CO -0.01 -0.33 -0.41 1.58 -1.30 0.00 0.00 177.93 177.46 2dmw n HIS 124 N -4.91 -0.23 -4.75 5.26 -0.00 0.99 -4.37 115.22 107.20 2dmw n HIS 124 Ca -0.07 0.96 -0.30 0.00 -0.00 0.00 0.00 57.72 58.31 2dmw n HIS 124 Cb 0.23 -0.63 -0.14 0.00 -0.00 0.00 0.00 29.99 29.45 2dmw n HIS 124 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2dmw s SER 125 N -5.35 3.22 -0.33 0.26 0.01 -0.93 -5.03 113.70 105.55 2dmw s SER 125 Ca -0.10 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.49 2dmw s SER 125 Cb 0.11 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.11 2dmw s SER 125 CO 0.50 0.23 2.70 -0.24 0.41 0.00 0.00 173.24 176.84 2dmw n SER 126 N 1.51 6.23 0.01 2.44 2.88 -1.26 -4.47 113.62 120.96 2dmw n SER 126 Ca -0.17 -3.03 -0.14 0.00 -1.33 0.00 0.00 58.87 54.20 2dmw n SER 126 Cb 0.52 -1.22 -0.09 0.00 -0.75 0.00 0.00 64.21 62.68 2dmw n SER 126 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2dmw h GLY 127 N 3.72 -1.15 0.94 0.46 0.00 -1.90 0.10 103.07 105.24 2dmw h GLY 127 Ca 0.32 0.68 0.00 0.00 0.00 0.00 0.00 47.33 48.33 2dmw h GLY 127 CO 0.71 -0.25 0.00 -1.55 0.00 0.00 0.00 176.54 175.46 2dmw n PRO 128 N -5.11 0.49 -3.04 4.80 -0.04 -1.26 -4.83 135.00 126.00 2dmw n PRO 128 Ca -0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 2dmw n PRO 128 Cb 0.34 -1.47 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 2dmw n PRO 128 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmw n SER 129 N -0.97 -4.07 -4.86 3.54 2.88 0.35 -5.03 113.62 105.46 2dmw n SER 129 Ca 0.11 -0.29 -0.26 0.00 -1.33 0.00 0.00 58.87 57.10 2dmw n SER 129 Cb 0.05 -2.90 -0.04 0.00 -0.75 0.00 0.00 64.21 60.56 2dmw n SER 129 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmw s SER 130 N -3.23 5.84 0.00 -3.46 1.04 -1.26 -5.12 113.70 107.52 2dmw s SER 130 Ca 0.28 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2dmw s SER 130 Cb -0.12 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2dmw s SER 130 CO 0.39 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.27