#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 5.24 0.15 1.61 0.01 -1.26 -5.10 113.70 114.36 2dmw s SER 2 Ca 0.00 0.79 0.11 0.00 1.31 0.00 0.00 55.95 58.16 2dmw s SER 2 Cb 0.00 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 2dmw s SER 2 CO 0.00 -1.37 -0.25 -0.94 0.41 0.00 0.00 173.24 171.09 2dmw s SER 3 N -4.40 3.25 -0.57 2.44 1.04 -1.26 -5.04 113.70 109.15 2dmw s SER 3 Ca 0.57 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 2dmw s SER 3 Cb -0.11 -0.22 0.24 0.00 0.10 0.00 0.00 66.02 66.03 2dmw s SER 3 CO 0.48 0.14 2.29 0.61 0.98 0.00 0.00 173.24 177.74 2dmw n GLY 4 N 0.68 4.90 2.85 7.32 0.00 -1.26 -4.76 105.19 114.92 2dmw n GLY 4 Ca -0.16 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 2dmw n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmw s SER 5 N -0.47 4.27 -0.30 1.61 1.04 -1.26 -5.02 113.70 113.57 2dmw s SER 5 Ca 0.53 -3.46 -0.13 0.00 0.48 0.00 0.00 55.95 53.37 2dmw s SER 5 Cb 0.40 -1.46 0.17 0.00 0.10 0.00 0.00 66.02 65.22 2dmw s SER 5 CO -0.19 -0.14 0.94 -0.94 0.98 0.00 0.00 173.24 173.88 2dmw s SER 6 N -0.86 -0.67 0.04 7.02 1.04 -1.26 -4.79 113.70 114.21 2dmw s SER 6 Ca 0.23 0.74 0.01 0.00 0.48 0.00 0.00 55.95 57.41 2dmw s SER 6 Cb -0.11 1.69 -0.00 0.00 0.10 0.00 0.00 66.02 67.70 2dmw s SER 6 CO -0.11 -0.13 0.03 0.61 0.98 0.00 0.00 173.24 174.62 2dmw n GLY 7 N 5.17 3.94 3.43 7.32 0.00 -1.26 -5.03 105.19 118.76 2dmw n GLY 7 Ca -0.08 -1.77 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.16 3.12 0.14 1.61 1.00 -1.26 -4.99 119.30 116.76 2dmw s MET 8 Ca 0.04 -0.94 -0.24 0.00 0.00 0.00 0.00 55.69 54.54 2dmw s MET 8 Cb 0.00 -4.18 0.07 0.00 0.00 0.00 0.00 34.83 30.72 2dmw s MET 8 CO 0.03 -1.50 0.75 0.00 0.00 0.00 0.00 175.02 174.30 2dmw s ALA 9 N 3.14 -1.59 0.20 3.03 0.00 -1.26 -4.87 121.76 120.41 2dmw s ALA 9 Ca 0.17 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 2dmw s ALA 9 Cb -0.19 0.73 -0.16 0.00 0.00 0.00 0.00 23.12 23.49 2dmw s ALA 9 CO 0.11 -0.85 0.87 -0.89 0.00 0.00 0.00 175.76 175.00 2dmw n ILE 10 N -0.38 1.55 0.00 0.00 5.41 -1.26 -4.64 119.36 120.04 2dmw n ILE 10 Ca -0.11 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.26 2dmw n ILE 10 Cb 0.62 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 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 1.36 -4.29 1.39 4.77 -1.10 -4.98 117.00 115.87 2dmw n LEU 11 Ca 0.15 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 2dmw n LEU 11 Cb 0.25 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.19 2dmw n LEU 11 CO 0.59 0.23 -0.51 0.12 -1.33 0.00 0.00 177.39 176.49 2dmw s PHE 12 N -1.79 2.68 -0.27 -1.77 2.19 -1.18 -2.06 117.98 115.79 2dmw s PHE 12 Ca 0.00 -0.86 -0.04 0.00 0.33 0.00 0.00 56.93 56.36 2dmw s PHE 12 Cb 0.00 -1.78 0.15 0.00 -1.31 0.00 0.00 43.02 40.08 2dmw s PHE 12 CO 0.00 -0.32 0.51 0.00 1.83 0.00 0.00 175.22 177.24 2dmw s ALA 13 N 0.35 -1.70 0.03 11.12 0.00 -1.26 -1.48 121.76 128.82 2dmw s ALA 13 Ca -0.15 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.42 2dmw s ALA 13 Cb -0.17 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2dmw s ALA 13 CO 0.07 -1.16 -0.07 0.14 0.00 0.00 0.00 175.76 174.74 2dmw s VAL 14 N 2.73 0.53 -0.33 0.00 -7.23 -1.09 -3.77 120.40 111.24 2dmw s VAL 14 Ca 0.11 -0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 2dmw s VAL 14 Cb -0.14 -0.56 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2dmw s VAL 14 CO -0.18 -0.27 0.21 -0.69 -0.31 0.00 0.00 175.10 173.86 2dmw s VAL 15 N -1.10 5.05 -0.00 1.32 1.01 -0.27 -3.16 120.40 123.25 2dmw s VAL 15 Ca -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2dmw s VAL 15 Cb -0.08 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2dmw s VAL 15 CO 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 175.10 175.08 2dmw s ALA 16 N 1.69 0.50 -0.43 5.51 0.00 -0.07 -2.25 121.76 126.71 2dmw s ALA 16 Ca 0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2dmw s ALA 16 Cb -0.17 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 22.90 2dmw s ALA 16 CO 0.09 0.11 0.29 -0.98 0.00 0.00 0.00 175.76 175.27 2dmw s ARG 17 N -0.27 2.76 1.47 0.00 1.70 0.86 0.21 118.95 125.68 2dmw s ARG 17 Ca 0.01 -1.35 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 2dmw s ARG 17 Cb -0.03 -3.88 0.00 0.00 -0.57 0.00 0.00 34.95 30.47 2dmw s ARG 17 CO -0.00 -0.93 0.00 0.41 -1.08 0.00 0.00 175.30 173.70 2dmw n GLY 18 N 5.02 0.81 1.33 3.88 0.00 -1.26 -1.72 105.19 113.24 2dmw n GLY 18 Ca -0.11 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.47 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 0.72 -3.88 2.61 -2.24 -1.26 -4.05 114.28 106.18 2dmw n THR 19 Ca 0.00 -1.77 -0.20 0.00 -2.27 0.00 0.00 64.05 59.80 2dmw n THR 19 Cb 0.00 0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.16 0.30 -0.29 4.28 2.01 -0.70 -5.04 115.64 115.04 2dmw s THR 20 Ca 0.35 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.28 2dmw s THR 20 Cb 0.38 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 72.44 2dmw s THR 20 CO -0.13 0.21 0.46 -0.63 -0.69 0.00 0.00 174.62 173.84 2dmw s ILE 21 N 1.53 5.09 -0.20 1.82 1.01 -1.26 -0.10 121.20 129.09 2dmw s ILE 21 Ca -0.02 0.58 -0.20 0.00 0.00 0.00 0.00 60.65 61.00 2dmw s ILE 21 Cb -0.13 -3.82 -0.19 0.00 0.01 0.00 0.00 42.46 38.32 2dmw s ILE 21 CO -0.03 0.01 0.21 0.18 0.00 0.00 0.00 174.94 175.31 2dmw n LEU 22 N 5.52 1.91 -3.64 2.97 4.77 -0.95 -4.35 117.00 123.22 2dmw n LEU 22 Ca -0.06 0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2dmw n LEU 22 Cb 0.50 -0.97 -0.17 0.00 -2.33 0.00 0.00 43.42 40.44 2dmw n LEU 22 CO 0.41 0.32 -0.32 0.00 -1.33 0.00 0.00 177.39 176.47 2dmw s ALA 23 N -2.38 0.22 -0.08 -1.18 0.00 -1.16 -4.01 121.76 113.17 2dmw s ALA 23 Ca -0.29 0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.78 2dmw s ALA 23 Cb 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2dmw s ALA 23 CO 0.60 -0.76 -0.20 -1.59 0.00 0.00 0.00 175.76 173.81 2dmw s LYS 24 N 2.18 2.45 -0.28 0.00 -2.85 -1.26 -1.11 119.74 118.86 2dmw s LYS 24 Ca 0.04 -0.71 -0.04 0.00 -1.00 0.00 0.00 55.97 54.26 2dmw s LYS 24 Cb -0.14 -1.93 0.16 0.00 -2.06 0.00 0.00 37.83 33.87 2dmw s LYS 24 CO -0.06 0.16 0.57 -1.01 0.10 0.00 0.00 175.35 175.11 2dmw s HIS 25 N 0.35 -1.38 0.28 1.78 3.76 -1.25 -4.98 115.29 113.85 2dmw s HIS 25 Ca -0.14 1.71 0.05 0.00 -0.15 0.00 0.00 55.06 56.53 2dmw s HIS 25 Cb -0.16 0.52 -0.06 0.00 1.11 0.00 0.00 32.58 33.99 2dmw s HIS 25 CO 0.06 -0.78 -0.02 0.00 -0.85 0.00 0.00 174.74 173.15 2dmw s ALA 26 N 2.80 2.24 0.62 -1.40 0.00 -1.26 -4.00 121.76 120.77 2dmw s ALA 26 Ca 0.12 -1.92 -0.16 0.00 0.00 0.00 0.00 51.96 50.01 2dmw s ALA 26 Cb -0.14 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2dmw s ALA 26 CO -0.19 -0.17 1.09 -1.58 0.00 0.00 0.00 175.76 174.91 2dmw s TRP 27 N -3.17 2.80 -0.59 0.00 0.52 -0.88 -4.94 118.94 112.68 2dmw s TRP 27 Ca 0.31 1.53 -0.27 0.00 0.02 0.00 0.00 56.10 57.69 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 0.12 -1.41 1.53 0.00 0.02 0.00 0.00 176.95 177.21 2dmw n GLY 29 N 5.40 -1.30 0.00 0.00 0.00 -1.26 -5.17 105.19 102.85 2dmw n GLY 29 Ca 0.13 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.85 3.34 3.30 -0.02 0.00 -1.26 -5.13 105.19 104.57 2dmw n GLY 30 Ca 0.00 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 2dmw n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmw s ASN 31 N -0.32 5.65 -0.19 1.61 2.20 -1.26 -4.90 114.94 117.72 2dmw s ASN 31 Ca 0.00 -1.32 0.01 0.00 -0.94 0.00 0.00 52.86 50.62 2dmw s ASN 31 Cb 0.00 -1.99 -0.13 0.00 -2.00 0.00 0.00 41.25 37.13 2dmw s ASN 31 CO 0.00 -0.48 -0.17 0.49 -2.94 0.00 0.00 177.10 174.00 2dmw n PHE 32 N 4.94 0.00 -0.28 1.54 3.72 -1.26 -4.53 117.46 121.58 2dmw n PHE 32 Ca -0.11 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.54 2dmw n PHE 32 Cb 0.44 -0.75 0.46 0.00 -0.94 0.00 0.00 39.48 38.69 2dmw n PHE 32 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2dmw n LEU 33 N -3.07 0.22 0.08 4.37 7.94 -1.26 -0.52 117.00 124.76 2dmw n LEU 33 Ca -0.34 1.46 -0.05 0.00 -1.11 0.00 0.00 56.01 55.96 2dmw n LEU 33 Cb 0.87 -0.67 -0.03 0.00 0.53 0.00 0.00 43.42 44.12 2dmw n LEU 33 CO 0.19 -1.60 0.51 -0.08 -1.11 0.00 0.00 177.39 175.30 2dmw h GLU 34 N 0.00 -0.27 -0.89 1.96 4.81 -2.00 0.12 114.58 118.31 2dmw h GLU 34 Ca 0.70 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 60.04 2dmw h GLU 34 Cb 1.77 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 31.14 2dmw h GLU 34 CO -0.71 -0.18 0.54 -0.24 -0.73 0.00 0.00 179.01 177.69 2dmw h VAL 35 N -0.28 0.95 0.19 0.32 3.04 -1.19 -2.17 116.25 117.11 2dmw h VAL 35 Ca -0.02 -0.31 0.01 0.00 -1.01 0.00 0.00 66.70 65.37 2dmw h VAL 35 Cb 0.24 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.45 2dmw h VAL 35 CO -0.01 0.17 -0.28 0.74 -1.01 0.00 0.00 177.57 177.18 2dmw h THR 36 N 0.91 0.40 -0.14 3.17 2.02 -0.63 -1.92 112.91 116.73 2dmw h THR 36 Ca 0.42 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.65 2dmw h THR 36 Cb 0.35 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 2dmw h THR 36 CO -0.23 0.00 -0.18 -0.33 0.37 0.00 0.00 175.52 175.15 2dmw h GLU 37 N -0.53 -0.21 -0.98 6.66 5.08 -0.33 0.38 114.58 124.65 2dmw h GLU 37 Ca 0.01 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.61 2dmw h GLU 37 Cb 0.53 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.71 2dmw h GLU 37 CO -0.12 -0.14 0.56 1.96 -1.00 0.00 0.00 179.01 180.27 2dmw h GLN 38 N -0.22 0.58 -0.22 2.33 4.20 -1.17 0.55 115.11 121.15 2dmw h GLN 38 Ca 0.10 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 2dmw h GLN 38 Cb 0.37 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2dmw h GLN 38 CO -0.27 0.39 -0.60 0.82 -0.67 0.00 0.00 178.83 178.50 2dmw h ILE 39 N 0.60 1.29 -0.35 2.54 1.08 -0.45 -3.26 117.51 118.96 2dmw h ILE 39 Ca 0.61 -1.80 0.07 0.00 -0.39 0.00 0.00 64.86 63.35 2dmw h ILE 39 Cb 1.09 1.81 -0.07 0.00 -3.07 0.00 0.00 36.82 36.58 2dmw h ILE 39 CO -0.46 0.57 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.39 2dmw h LEU 40 N 0.54 -0.43 -2.04 1.44 3.38 0.12 0.56 115.31 118.87 2dmw h LEU 40 Ca -0.01 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2dmw h LEU 40 Cb 1.21 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 2dmw h LEU 40 CO 0.13 -0.16 0.33 0.00 0.09 0.00 0.00 178.44 178.83 2dmw h ALA 41 N 1.26 1.42 0.00 1.53 0.00 -1.42 0.77 119.26 122.81 2dmw h ALA 41 Ca 0.17 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.72 2dmw h ALA 41 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2dmw h ALA 41 CO -0.39 -0.35 -2.37 1.63 0.00 0.00 0.00 179.25 177.77 2dmw n LYS 42 N -3.00 0.72 -1.88 0.00 5.02 0.86 -4.95 118.16 114.93 2dmw n LYS 42 Ca -0.01 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2dmw n LYS 42 Cb 0.39 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.50 2.55 1.09 -0.18 1.01 0.16 -4.99 121.20 118.34 2dmw s ILE 43 Ca -0.10 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 2dmw s ILE 43 Cb 0.06 -3.22 0.23 0.00 0.01 0.00 0.00 42.46 39.55 2dmw s ILE 43 CO 0.82 0.02 1.10 -2.16 0.00 0.00 0.00 174.94 174.72 2dmw s PRO 44 N 1.47 -0.34 -0.25 2.79 0.04 -1.26 -4.87 135.00 132.57 2dmw s PRO 44 Ca 0.72 0.25 0.09 0.00 0.04 0.00 0.00 61.00 62.10 2dmw s PRO 44 Cb -0.45 -1.67 0.44 0.00 0.04 0.00 0.00 34.50 32.87 2dmw s PRO 44 CO 0.32 -3.19 1.20 0.43 0.04 0.00 0.00 177.00 175.80 2dmw n SER 45 N -4.45 3.42 -4.83 6.66 7.64 -1.26 -4.88 113.62 115.92 2dmw n SER 45 Ca 0.08 -3.76 -0.24 0.00 1.01 0.00 0.00 58.87 55.96 2dmw n SER 45 Cb 0.58 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.31 2dmw n SER 45 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dmw s GLU 46 N -3.39 2.99 -1.10 1.43 8.01 -1.26 -4.68 118.70 120.70 2dmw s GLU 46 Ca 0.45 -0.91 -0.24 0.00 0.01 0.00 0.00 54.97 54.28 2dmw s GLU 46 Cb 0.39 -2.66 -0.15 0.00 -4.31 0.00 0.00 34.13 27.40 2dmw s GLU 46 CO -0.01 0.45 1.98 -1.71 0.01 0.00 0.00 175.26 175.98 2dmw n ASN 47 N -0.74 2.43 -3.62 -0.19 2.85 -1.26 -4.62 115.26 110.10 2dmw n ASN 47 Ca -0.08 -2.63 -0.05 0.00 -0.11 0.00 0.00 54.58 51.71 2dmw n ASN 47 Cb 0.56 -1.68 -0.05 0.00 1.24 0.00 0.00 39.78 39.85 2dmw n ASN 47 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2dmw s ASN 48 N 7.09 -0.17 0.28 1.20 4.22 -1.13 -5.04 114.94 121.38 2dmw s ASN 48 Ca 0.72 0.22 0.11 0.00 -2.14 0.00 0.00 52.86 51.77 2dmw s ASN 48 Cb -0.01 0.19 -0.05 0.00 1.28 0.00 0.00 41.25 42.66 2dmw s ASN 48 CO 0.16 -0.13 -0.10 -1.59 -2.04 0.00 0.00 177.10 173.39 2dmw s LYS 49 N -0.79 1.97 -0.04 3.55 0.00 -1.26 -3.50 119.74 119.67 2dmw s LYS 49 Ca 0.05 -1.62 -0.08 0.00 0.00 0.00 0.00 55.97 54.32 2dmw s LYS 49 Cb -0.02 -1.95 0.01 0.00 0.00 0.00 0.00 37.83 35.88 2dmw s LYS 49 CO -0.06 0.33 0.18 -1.17 0.00 0.00 0.00 175.35 174.63 2dmw s LEU 50 N -3.59 1.33 -0.49 2.77 0.20 -1.23 -5.02 118.68 112.64 2dmw s LEU 50 Ca 0.31 0.13 -0.23 0.00 0.69 0.00 0.00 54.13 55.03 2dmw s LEU 50 Cb -0.05 0.73 0.04 0.00 -0.43 0.00 0.00 46.19 46.47 2dmw s LEU 50 CO 0.17 -0.22 0.81 -0.89 -0.29 0.00 0.00 176.35 175.93 2dmw s THR 51 N -0.61 4.60 -0.26 3.68 2.01 -1.26 -3.97 115.64 119.83 2dmw s THR 51 Ca -0.07 0.24 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 2dmw s THR 51 Cb -0.04 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 2dmw s THR 51 CO 0.01 -0.86 0.14 -0.47 -0.69 0.00 0.00 174.62 172.76 2dmw s TYR 52 N 3.40 3.19 -0.42 4.92 6.14 -0.89 -5.03 117.35 128.65 2dmw s TYR 52 Ca 0.28 -0.05 -0.15 0.00 0.64 0.00 0.00 57.07 57.78 2dmw s TYR 52 Cb -0.13 -2.31 0.03 0.00 0.42 0.00 0.00 41.96 39.96 2dmw s TYR 52 CO 0.20 -0.19 0.34 -1.54 0.64 0.00 0.00 175.55 174.99 2dmw s SER 53 N 1.59 6.13 -0.08 4.32 1.04 -1.26 -0.58 113.70 124.86 2dmw s SER 53 Ca 0.07 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.60 2dmw s SER 53 Cb -0.15 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 2dmw s SER 53 CO 0.08 -0.50 -0.23 -2.28 0.98 0.00 0.00 173.24 171.29 2dmw s HIS 54 N 1.74 2.54 0.00 5.02 2.46 -1.05 -4.98 115.29 121.03 2dmw s HIS 54 Ca 0.06 -0.83 0.00 0.00 0.47 0.00 0.00 55.06 54.76 2dmw s HIS 54 Cb -0.20 -1.67 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 2dmw s HIS 54 CO 0.10 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.49 2dmw n GLY 55 N 3.23 0.99 1.93 1.59 0.00 -1.26 -1.27 105.19 110.40 2dmw n GLY 55 Ca -0.18 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.28 6.30 -3.70 1.61 4.13 -1.26 -4.83 115.26 114.23 2dmw n ASN 56 Ca 0.00 -2.99 -0.14 0.00 1.68 0.00 0.00 54.58 53.13 2dmw n ASN 56 Cb 0.00 -1.10 -0.08 0.00 -1.54 0.00 0.00 39.78 37.05 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 -1.49 -0.37 -0.14 3.10 1.51 -0.40 -4.27 117.35 115.28 2dmw s TYR 57 Ca 0.33 0.74 -0.18 0.00 -1.01 0.00 0.00 57.07 56.95 2dmw s TYR 57 Cb 0.24 0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 42.23 2dmw s TYR 57 CO -0.03 -0.38 0.46 -0.51 -1.11 0.00 0.00 175.55 173.97 2dmw s LEU 58 N -0.78 4.24 -0.62 -1.29 1.43 -0.75 -2.51 118.68 118.39 2dmw s LEU 58 Ca -0.09 0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 2dmw s LEU 58 Cb -0.04 -2.65 0.16 0.00 0.03 0.00 0.00 46.19 43.70 2dmw s LEU 58 CO 0.04 -0.02 0.48 -0.36 0.23 0.00 0.00 176.35 176.72 2dmw s PHE 59 N 0.83 3.50 -0.38 0.29 0.40 0.25 -2.44 117.98 120.43 2dmw s PHE 59 Ca 0.24 -2.35 -0.16 0.00 -0.60 0.00 0.00 56.93 54.06 2dmw s PHE 59 Cb -0.15 -3.41 0.01 0.00 0.51 0.00 0.00 43.02 39.98 2dmw s PHE 59 CO 0.09 -0.92 0.37 -1.01 0.70 0.00 0.00 175.22 174.45 2dmw s HIS 60 N 0.37 3.20 -0.12 0.36 3.76 -1.14 -2.11 115.29 119.62 2dmw s HIS 60 Ca 0.14 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 2dmw s HIS 60 Cb -0.19 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.77 2dmw s HIS 60 CO -0.04 -0.56 -0.19 1.52 -0.85 0.00 0.00 174.74 174.63 2dmw s TYR 61 N 1.97 2.69 -0.17 1.40 -0.85 -1.25 -2.99 117.35 118.14 2dmw s TYR 61 Ca 0.10 -0.89 -0.05 0.00 -0.52 0.00 0.00 57.07 55.71 2dmw s TYR 61 Cb -0.17 -1.79 -0.03 0.00 0.38 0.00 0.00 41.96 40.35 2dmw s TYR 61 CO 0.12 -0.35 0.01 0.42 -1.52 0.00 0.00 175.55 174.23 2dmw s ILE 62 N 0.41 4.23 -0.36 -3.49 1.01 -1.02 -3.58 121.20 118.39 2dmw s ILE 62 Ca -0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 2dmw s ILE 62 Cb -0.17 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.45 2dmw s ILE 62 CO 0.06 0.47 0.19 0.00 0.00 0.00 0.00 174.94 175.66 2dmw s GLN 64 N 1.53 0.58 -1.16 0.00 1.03 -0.39 -2.86 119.66 118.39 2dmw s GLN 64 Ca 0.02 0.05 -0.07 0.00 0.04 0.00 0.00 55.36 55.39 2dmw s GLN 64 Cb -0.19 0.26 0.06 0.00 0.03 0.00 0.00 33.01 33.17 2dmw s GLN 64 CO 0.06 -0.14 0.36 -3.47 -2.54 0.00 0.00 175.29 169.56 2dmw n ASP 65 N 1.83 -3.52 -1.68 12.60 2.03 -1.26 0.98 116.55 127.54 2dmw n ASP 65 Ca -0.19 -0.23 -0.15 0.00 0.52 0.00 0.00 54.79 54.75 2dmw n ASP 65 Cb 0.57 -2.94 -0.01 0.00 -0.72 0.00 0.00 41.12 38.01 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 -3.46 -1.18 -4.39 -0.67 5.12 -1.26 -5.01 116.66 105.80 2dmw n ARG 66 Ca -0.04 0.73 -0.24 0.00 -1.93 0.00 0.00 57.85 56.38 2dmw n ARG 66 Cb 0.55 -5.05 -0.13 0.00 -1.16 0.00 0.00 32.46 26.67 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 -2.73 1.63 -0.15 0.55 -1.09 0.27 -4.52 121.20 115.15 2dmw s ILE 67 Ca 0.00 -1.39 0.01 0.00 -2.23 0.00 0.00 60.65 57.04 2dmw s ILE 67 Cb 0.00 -1.46 0.02 0.00 -1.58 0.00 0.00 42.46 39.43 2dmw s ILE 67 CO 0.00 0.02 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.85 2dmw s VAL 68 N -1.03 1.87 -0.46 2.92 1.01 0.13 -1.26 120.40 123.57 2dmw s VAL 68 Ca 0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2dmw s VAL 68 Cb -0.09 -1.69 0.12 0.00 0.00 0.00 0.00 36.38 34.72 2dmw s VAL 68 CO 0.03 0.51 0.25 -0.31 0.00 0.00 0.00 175.10 175.58 2dmw s TYR 69 N 1.17 3.54 0.20 5.22 1.51 -0.82 -0.90 117.35 127.27 2dmw s TYR 69 Ca 0.00 -2.60 -0.05 0.00 -1.01 0.00 0.00 57.07 53.41 2dmw s TYR 69 Cb -0.14 -3.17 -0.06 0.00 -0.11 0.00 0.00 41.96 38.49 2dmw s TYR 69 CO -0.08 -0.92 0.46 -1.17 -1.11 0.00 0.00 175.55 172.73 2dmw s LEU 70 N 0.72 4.19 -0.15 -1.29 0.20 -1.19 -2.44 118.68 118.72 2dmw s LEU 70 Ca 0.11 0.67 -0.24 0.00 0.69 0.00 0.00 54.13 55.36 2dmw s LEU 70 Cb -0.22 -3.43 0.06 0.00 -0.43 0.00 0.00 46.19 42.17 2dmw s LEU 70 CO -0.04 -0.05 0.60 0.00 -0.29 0.00 0.00 176.35 176.57 2dmw s ILE 72 N -0.37 3.93 0.34 0.00 1.09 -0.55 -2.88 121.20 122.75 2dmw s ILE 72 Ca -0.05 -0.34 0.04 0.00 -1.10 0.00 0.00 60.65 59.20 2dmw s ILE 72 Cb -0.03 -2.73 -0.03 0.00 -1.06 0.00 0.00 42.46 38.60 2dmw s ILE 72 CO 0.04 0.48 0.16 0.42 -0.10 0.00 0.00 174.94 175.94 2dmw s THR 73 N 0.49 0.41 0.31 2.92 -4.23 -1.02 -2.71 115.64 111.80 2dmw s THR 73 Ca -0.03 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.22 2dmw s THR 73 Cb -0.14 -2.47 -0.10 0.00 1.34 0.00 0.00 72.50 71.13 2dmw s THR 73 CO 0.03 0.00 0.94 -0.62 -0.54 0.00 0.00 174.62 174.43 2dmw s ASP 74 N -3.45 7.36 0.18 3.99 2.15 -1.26 -1.81 116.67 123.82 2dmw s ASP 74 Ca 0.33 1.84 -0.22 0.00 0.43 0.00 0.00 52.55 54.92 2dmw s ASP 74 Cb 0.04 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 2dmw s ASP 74 CO 0.18 -0.05 1.58 -2.24 -0.17 0.00 0.00 175.17 174.47 2dmw h ASP 75 N 3.25 -1.25 -0.77 -0.34 3.04 -1.92 0.10 116.42 118.53 2dmw h ASP 75 Ca -0.47 0.23 0.13 0.00 -3.24 0.00 0.00 57.03 53.68 2dmw h ASP 75 Cb 1.19 0.60 -0.09 0.00 -1.04 0.00 0.00 39.33 39.99 2dmw h ASP 75 CO 0.65 -0.32 0.36 0.44 -2.04 0.00 0.00 179.24 178.33 2dmw h ASP 76 N -0.19 0.40 -0.77 4.15 3.32 -1.96 -3.43 116.42 117.95 2dmw h ASP 76 Ca 0.21 0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.76 2dmw h ASP 76 Cb 0.56 0.04 0.04 0.00 0.22 0.00 0.00 39.33 40.19 2dmw h ASP 76 CO -0.67 0.18 -0.02 0.33 -1.72 0.00 0.00 179.24 177.34 2dmw n PHE 77 N -4.93 0.37 -2.37 4.55 7.35 0.36 -4.80 117.46 117.98 2dmw n PHE 77 Ca 0.14 0.80 -0.42 0.00 -0.76 0.00 0.00 57.45 57.21 2dmw n PHE 77 Cb 0.39 -1.58 -0.03 0.00 0.35 0.00 0.00 39.48 38.60 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 -0.11 4.35 0.15 -4.13 2.56 -1.26 -4.92 118.70 115.34 2dmw s GLU 78 Ca 0.67 1.80 -0.29 0.00 0.00 0.00 0.00 54.97 57.14 2dmw s GLU 78 Cb -0.93 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 31.67 2dmw s GLU 78 CO 0.44 -0.43 1.56 0.00 -0.56 0.00 0.00 175.26 176.27 2dmw h ARG 79 N 7.33 -0.29 -1.00 4.30 3.08 -1.92 0.59 114.38 126.47 2dmw h ARG 79 Ca -0.38 0.02 0.29 0.00 0.07 0.00 0.00 59.98 59.99 2dmw h ARG 79 Cb 1.18 0.07 -0.19 0.00 0.08 0.00 0.00 29.97 31.12 2dmw h ARG 79 CO 0.87 -0.20 0.09 1.03 -1.07 0.00 0.00 179.97 180.69 2dmw h SER 80 N -0.31 -0.39 0.46 7.04 0.87 -1.99 0.87 113.55 120.11 2dmw h SER 80 Ca 0.12 0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2dmw h SER 80 Cb 0.57 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2dmw h SER 80 CO -0.65 -0.37 -0.48 0.03 -0.53 0.00 0.00 176.83 174.83 2dmw h ARG 81 N 0.00 -0.91 -0.25 2.24 2.47 -1.27 0.22 114.38 116.89 2dmw h ARG 81 Ca 0.64 0.06 0.04 0.00 -1.26 0.00 0.00 59.98 59.46 2dmw h ARG 81 Cb 1.38 0.21 -0.07 0.00 -1.65 0.00 0.00 29.97 29.83 2dmw h ARG 81 CO -0.91 -0.60 -0.55 0.00 0.56 0.00 0.00 179.97 178.46 2dmw h ALA 82 N -0.96 -0.86 -0.75 0.04 0.00 -0.66 -0.80 119.26 115.27 2dmw h ALA 82 Ca -0.06 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2dmw h ALA 82 Cb 0.82 1.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.58 2dmw h ALA 82 CO -0.06 -1.08 0.34 0.74 0.00 0.00 0.00 179.25 179.19 2dmw h PHE 83 N -0.51 0.60 -0.03 0.00 0.04 -1.26 -1.22 116.94 114.56 2dmw h PHE 83 Ca 0.05 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.87 2dmw h PHE 83 Cb 0.65 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 2dmw h PHE 83 CO -0.65 0.14 -0.44 -0.97 -0.60 0.00 0.00 178.31 175.80 2dmw h ASN 84 N 0.53 -1.36 -0.21 2.17 -0.73 0.86 0.21 115.58 117.05 2dmw h ASN 84 Ca 0.40 0.15 0.04 0.00 1.87 0.00 0.00 56.30 58.76 2dmw h ASN 84 Cb 0.53 0.52 -0.04 0.00 0.27 0.00 0.00 38.32 39.60 2dmw h ASN 84 CO -0.35 -0.41 -0.04 0.15 -0.37 0.00 0.00 177.43 176.41 2dmw h PHE 85 N -0.52 -0.09 -0.52 0.67 3.57 -0.98 -1.69 116.94 117.37 2dmw h PHE 85 Ca 0.01 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.64 2dmw h PHE 85 Cb 0.57 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.30 2dmw h PHE 85 CO -0.51 -0.08 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.35 2dmw h LEU 86 N 0.01 -0.36 -0.52 0.59 3.38 -0.76 -0.94 115.31 116.71 2dmw h LEU 86 Ca 0.10 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.24 2dmw h LEU 86 Cb 0.15 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2dmw h LEU 86 CO -0.21 -0.13 0.31 0.78 0.09 0.00 0.00 178.44 179.28 2dmw h ASN 87 N 0.05 0.50 0.03 -0.43 4.21 -0.10 0.42 115.58 120.27 2dmw h ASN 87 Ca 0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 2dmw h ASN 87 Cb 0.40 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 2dmw h ASN 87 CO -0.49 0.35 -0.10 -0.33 -1.29 0.00 0.00 177.43 175.58 2dmw h GLU 88 N 0.62 -0.14 -0.87 0.81 5.08 -0.28 0.10 114.58 119.90 2dmw h GLU 88 Ca 0.21 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2dmw h GLU 88 Cb 0.02 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2dmw h GLU 88 CO -0.09 -0.10 0.57 -0.84 -1.00 0.00 0.00 179.01 177.55 2dmw h ILE 89 N -0.15 1.22 -0.75 3.13 3.07 -1.38 -2.10 117.51 120.56 2dmw h ILE 89 Ca -0.00 -0.41 0.12 0.00 1.55 0.00 0.00 64.86 66.12 2dmw h ILE 89 Cb 0.15 -0.05 -0.09 0.00 -0.27 0.00 0.00 36.82 36.56 2dmw h ILE 89 CO -0.05 0.22 0.33 0.50 -1.05 0.00 0.00 178.15 178.10 2dmw h LYS 90 N 1.17 0.50 -0.20 0.16 3.64 0.17 0.15 116.57 122.16 2dmw h LYS 90 Ca 0.32 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 2dmw h LYS 90 Cb -0.13 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2dmw h LYS 90 CO -0.07 0.33 -0.62 0.87 -2.27 0.00 0.00 179.45 177.69 2dmw h LYS 91 N 0.52 0.70 -0.55 1.90 1.79 -0.45 -2.36 116.57 118.12 2dmw h LYS 91 Ca 0.40 -0.49 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 2dmw h LYS 91 Cb 0.54 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 2dmw h LYS 91 CO -0.35 1.11 0.18 0.00 -1.08 0.00 0.00 179.45 179.31 2dmw h ARG 92 N 0.52 0.82 0.15 3.15 3.08 -0.57 0.40 114.38 121.93 2dmw h ARG 92 Ca -0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2dmw h ARG 92 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2dmw h ARG 92 CO 0.13 0.70 -0.07 0.35 -1.07 0.00 0.00 179.97 180.01 2dmw h PHE 93 N 0.80 -0.18 0.00 3.04 3.57 -0.71 0.76 116.94 124.22 2dmw h PHE 93 Ca 0.19 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2dmw h PHE 93 Cb 0.22 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2dmw h PHE 93 CO 0.01 0.27 -0.12 -0.56 -2.23 0.00 0.00 178.31 175.68 2dmw h GLN 94 N -0.78 0.00 0.01 1.11 3.07 -1.36 2.15 115.11 119.32 2dmw h GLN 94 Ca -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.41 2dmw h GLN 94 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.04 2dmw h GLN 94 CO 0.03 0.12 -1.85 2.41 0.09 0.00 0.00 178.83 179.63 2dmw n THR 95 N -3.45 1.60 -0.03 1.86 -1.04 0.14 -3.56 114.28 109.80 2dmw n THR 95 Ca -0.01 -0.78 -0.03 0.00 -2.04 0.00 0.00 64.05 61.18 2dmw n THR 95 Cb 0.29 -1.05 -0.01 0.00 -1.82 0.00 0.00 70.33 67.74 2dmw n THR 95 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2dmw n THR 96 N -3.06 0.57 -1.43 12.58 -1.04 0.26 -4.68 114.28 117.49 2dmw n THR 96 Ca -0.21 0.36 -0.28 0.00 -2.04 0.00 0.00 64.05 61.88 2dmw n THR 96 Cb 1.07 -1.82 0.10 0.00 -1.82 0.00 0.00 70.33 67.85 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 -3.24 2.94 0.07 -1.42 4.01 0.27 -4.68 117.16 115.10 2dmw n TYR 97 Ca -0.05 -2.56 -0.04 0.00 -0.16 0.00 0.00 57.90 55.09 2dmw n TYR 97 Cb 0.20 -1.10 -0.02 0.00 -0.31 0.00 0.00 39.34 38.10 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 1.75 -0.25 -0.41 2.72 0.00 0.30 -2.79 103.07 104.39 2dmw h GLY 98 Ca 0.54 0.09 0.12 0.00 0.00 0.00 0.00 47.33 48.09 2dmw h GLY 98 CO 1.27 -0.09 -0.26 1.76 0.00 0.00 0.00 176.54 179.22 2dmw h SER 99 N -0.81 -0.92 -0.82 0.19 0.02 -1.83 0.34 113.55 109.72 2dmw h SER 99 Ca -0.02 0.22 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 2dmw h SER 99 Cb 0.18 0.51 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 2dmw h SER 99 CO 0.04 -0.27 0.53 0.03 -1.14 0.00 0.00 176.83 176.02 2dmw h ARG 100 N -0.09 0.85 0.00 3.45 -0.00 -1.90 0.15 114.38 116.84 2dmw h ARG 100 Ca 0.28 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 2dmw h ARG 100 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.31 2dmw h ARG 100 CO -0.70 0.56 0.16 0.00 0.00 0.00 0.00 179.97 180.00 2dmw n ALA 101 N -2.42 0.78 -0.07 0.04 0.00 0.12 0.22 120.51 119.18 2dmw n ALA 101 Ca 0.12 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 2dmw n ALA 101 Cb 0.23 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.94 0.68 -0.02 0.00 1.13 0.03 -4.77 117.38 112.49 2dmw n GLN 102 Ca -0.01 0.15 -0.06 0.00 -1.94 0.00 0.00 57.00 55.15 2dmw n GLN 102 Cb 0.18 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 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 -3.04 1.11 -1.08 5.09 -2.24 0.53 -5.05 114.28 109.59 2dmw n THR 103 Ca -0.30 0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 2dmw n THR 103 Cb 1.08 -1.80 0.02 0.00 -2.10 0.00 0.00 70.33 67.53 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 -3.74 -3.64 -1.15 6.98 0.00 0.59 -4.92 120.51 114.63 2dmw n ALA 104 Ca -0.10 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 2dmw n ALA 104 Cb 0.32 -1.23 0.18 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.20 0.30 0.06 0.00 0.04 -1.26 -4.76 135.00 128.18 2dmw s PRO 105 Ca 0.48 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.17 2dmw s PRO 105 Cb -0.37 -1.72 0.70 0.00 0.04 0.00 0.00 34.50 33.14 2dmw s PRO 105 CO 0.66 -2.81 1.52 -0.35 0.04 0.00 0.00 177.00 176.05 2dmw n PRO 106 N -4.23 0.05 -2.58 0.56 -0.04 -1.26 -3.15 135.00 124.34 2dmw n PRO 106 Ca 0.05 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.65 2dmw n PRO 106 Cb 0.57 -1.59 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2dmw n PRO 106 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dmw n TYR 107 N -1.68 2.06 -0.13 0.54 4.02 -1.26 -3.38 117.16 117.34 2dmw n TYR 107 Ca 0.03 -2.89 -0.27 0.00 -0.01 0.00 0.00 57.90 54.76 2dmw n TYR 107 Cb 0.18 -0.26 -0.09 0.00 -0.02 0.00 0.00 39.34 39.15 2dmw n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dmw n ALA 108 N -0.25 1.35 -2.35 -0.72 0.00 -1.19 -4.64 120.51 112.71 2dmw n ALA 108 Ca 0.21 -1.02 -0.37 0.00 0.00 0.00 0.00 53.44 52.26 2dmw n ALA 108 Cb 0.76 0.15 0.02 0.00 0.00 0.00 0.00 19.45 20.38 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 -4.09 3.73 -0.07 0.00 0.00 -1.26 -4.71 117.12 110.72 2dmw n MET 109 Ca -0.50 -4.19 -0.09 0.00 0.00 0.00 0.00 57.70 52.93 2dmw n MET 109 Cb 0.86 -2.32 -0.06 0.00 0.00 0.00 0.00 33.22 31.71 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 3.29 0.00 0.89 3.17 7.08 -1.82 -3.21 115.58 124.98 2dmw h ASN 110 Ca 0.46 -0.33 -0.04 0.00 -3.08 0.00 0.00 56.30 53.31 2dmw h ASN 110 Cb 0.31 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.56 2dmw h ASN 110 CO 1.19 0.87 -0.43 0.28 -2.08 0.00 0.00 177.43 177.26 2dmw h SER 111 N -1.00 -1.01 -0.60 6.14 0.02 -1.95 0.23 113.55 115.37 2dmw h SER 111 Ca -0.07 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.02 2dmw h SER 111 Cb 0.61 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.30 2dmw h SER 111 CO -0.04 -0.69 -0.37 -0.33 -1.14 0.00 0.00 176.83 174.26 2dmw h GLU 112 N -1.28 -0.17 -0.30 3.45 4.39 -1.90 0.31 114.58 119.08 2dmw h GLU 112 Ca -0.12 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2dmw h GLU 112 Cb 0.92 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 2dmw h GLU 112 CO 0.20 -0.12 0.02 0.35 -1.16 0.00 0.00 179.01 178.30 2dmw h PHE 113 N -0.18 0.46 -0.58 4.33 3.57 -1.55 -2.43 116.94 120.55 2dmw h PHE 113 Ca 0.22 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.77 2dmw h PHE 113 Cb 0.56 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2dmw h PHE 113 CO -0.67 0.45 0.21 1.03 -2.23 0.00 0.00 178.31 177.09 2dmw h SER 114 N 0.44 0.20 -0.10 0.41 0.87 0.31 0.20 113.55 115.87 2dmw h SER 114 Ca 0.10 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 2dmw h SER 114 Cb 0.26 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2dmw h SER 114 CO 0.01 0.13 -0.23 0.77 -0.53 0.00 0.00 176.83 176.97 2dmw h SER 115 N 0.39 0.37 -0.31 6.23 4.64 -1.08 -2.36 113.55 121.43 2dmw h SER 115 Ca 0.29 -0.58 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 2dmw h SER 115 Cb 0.35 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 2dmw h SER 115 CO -0.30 0.88 0.01 0.58 -0.87 0.00 0.00 176.83 177.13 2dmw h VAL 116 N -0.12 0.78 0.19 0.95 2.07 -1.00 -2.20 116.25 116.92 2dmw h VAL 116 Ca -0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2dmw h VAL 116 Cb 0.83 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2dmw h VAL 116 CO 0.05 0.02 -0.09 -0.07 0.02 0.00 0.00 177.57 177.50 2dmw h LEU 117 N 0.10 -0.21 -0.90 2.57 3.38 -0.67 -2.10 115.31 117.47 2dmw h LEU 117 Ca 0.15 -0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.32 2dmw h LEU 117 Cb 0.20 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.86 2dmw h LEU 117 CO -0.25 -0.09 0.31 0.00 0.09 0.00 0.00 178.44 178.50 2dmw h ALA 118 N 0.48 1.40 -0.47 1.53 0.00 -1.13 0.36 119.26 121.44 2dmw h ALA 118 Ca -0.03 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2dmw h ALA 118 Cb 0.25 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2dmw h ALA 118 CO 0.04 -0.47 -0.16 0.00 0.00 0.00 0.00 179.25 178.67 2dmw h ALA 119 N 1.79 0.65 -0.11 0.00 0.00 -1.13 -1.61 119.26 118.85 2dmw h ALA 119 Ca 0.58 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2dmw h ALA 119 Cb 1.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dmw h ALA 119 CO -0.64 0.59 0.03 1.96 0.00 0.00 0.00 179.25 181.20 2dmw h GLN 120 N 0.78 0.16 0.87 0.00 1.08 0.24 -0.48 115.11 117.76 2dmw h GLN 120 Ca 0.11 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2dmw h GLN 120 Cb 0.72 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2dmw h GLN 120 CO 0.05 0.31 -0.42 -0.07 -0.95 0.00 0.00 178.83 177.76 2dmw h LEU 121 N -0.01 -0.98 -0.36 1.46 3.38 -0.64 -1.32 115.31 116.83 2dmw h LEU 121 Ca 0.03 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2dmw h LEU 121 Cb 0.21 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 2dmw h LEU 121 CO -0.00 -0.68 -0.25 0.11 0.09 0.00 0.00 178.44 177.71 2dmw h LYS 122 N -1.22 -0.19 -0.15 1.13 1.57 -1.35 0.14 116.57 116.50 2dmw h LYS 122 Ca -0.12 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2dmw h LYS 122 Cb 0.89 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.18 2dmw h LYS 122 CO 0.20 -0.13 -0.37 1.25 -0.57 0.00 0.00 179.45 179.83 2dmw h HIS 123 N -0.20 -1.03 0.26 -1.35 2.76 -1.07 -3.10 115.15 111.42 2dmw h HIS 123 Ca 0.18 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2dmw h HIS 123 Cb 0.48 0.47 -0.00 0.00 1.55 0.00 0.00 27.41 29.91 2dmw h HIS 123 CO -0.46 -0.43 -0.16 1.25 -1.30 0.00 0.00 177.93 176.83 2dmw h HIS 124 N -0.43 -0.43 -3.03 5.26 -0.00 -0.56 -3.44 115.15 112.51 2dmw h HIS 124 Ca 0.09 -0.00 -0.39 0.00 -0.00 0.00 0.00 60.37 60.06 2dmw h HIS 124 Cb 0.58 0.16 0.22 0.00 -0.00 0.00 0.00 27.41 28.37 2dmw h HIS 124 CO -0.45 -0.24 -0.11 -1.54 -0.00 0.00 0.00 177.93 175.59 2dmw s SER 125 N -2.77 -0.74 -0.16 3.26 1.04 0.43 -4.99 113.70 109.77 2dmw s SER 125 Ca -0.06 1.07 0.18 0.00 0.48 0.00 0.00 55.95 57.62 2dmw s SER 125 Cb 0.01 -1.58 0.45 0.00 0.10 0.00 0.00 66.02 65.00 2dmw s SER 125 CO 0.20 -5.20 1.17 -0.24 0.98 0.00 0.00 173.24 170.15 2dmw n SER 126 N -5.55 1.99 0.00 7.02 2.88 -1.26 -4.83 113.62 113.87 2dmw n SER 126 Ca 0.09 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2dmw n SER 126 Cb 0.58 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.38 -0.50 3.65 0.46 0.00 -1.26 -4.83 105.19 102.33 2dmw n GLY 127 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.97 -0.12 -0.60 1.61 0.04 -1.26 -4.60 135.00 129.10 2dmw s PRO 128 Ca 0.00 0.33 0.05 0.00 0.04 0.00 0.00 61.00 61.41 2dmw s PRO 128 Cb 0.00 -1.69 0.17 0.00 0.04 0.00 0.00 34.50 33.02 2dmw s PRO 128 CO 0.00 -3.06 0.44 -1.12 0.04 0.00 0.00 177.00 173.30 2dmw s SER 129 N -3.58 3.61 0.21 6.66 0.01 -1.26 -5.05 113.70 114.30 2dmw s SER 129 Ca 0.67 -3.57 -0.24 0.00 1.31 0.00 0.00 55.95 54.12 2dmw s SER 129 Cb -0.16 -1.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.78 2dmw s SER 129 CO 0.57 -0.11 0.80 -0.55 0.41 0.00 0.00 173.24 174.35 2dmw s SER 130 N -0.91 7.30 0.00 2.44 0.15 -1.26 -5.24 113.70 116.19 2dmw s SER 130 Ca 0.28 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2dmw s SER 130 Cb -0.02 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dmw s SER 130 CO -0.18 0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.99