#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irt s GLN 2 N 0.00 1.25 0.30 3.17 -2.07 -1.26 -2.83 119.66 118.22 3irt s GLN 2 Ca 0.00 -0.48 0.02 0.00 -1.82 0.00 0.00 55.36 53.08 3irt s GLN 2 Cb 0.00 0.58 0.02 0.00 -1.09 0.00 0.00 33.01 32.51 3irt s GLN 2 CO 0.00 -0.54 0.15 1.28 -1.32 0.00 0.00 175.29 174.86 3irt n LEU 3 N -0.33 0.00 -4.74 2.60 4.77 -0.64 -4.90 117.00 113.76 3irt n LEU 3 Ca -0.17 -1.67 -0.41 0.00 -0.03 0.00 0.00 56.01 53.73 3irt n LEU 3 Cb 0.65 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 3irt n LEU 3 CO 0.13 -0.37 0.63 -0.54 -1.33 0.00 0.00 177.39 175.90 3irt s LYS 4 N -3.18 4.68 0.10 3.23 1.02 -1.26 -4.74 119.74 119.59 3irt s LYS 4 Ca 0.11 1.39 -0.34 0.00 0.02 0.00 0.00 55.97 57.15 3irt s LYS 4 Cb -0.01 -3.36 -0.14 0.00 -0.52 0.00 0.00 37.83 33.81 3irt s LYS 4 CO 0.07 0.27 1.64 -2.30 -0.92 0.00 0.00 175.35 174.11 3irt n PRO 5 N 2.60 2.11 -4.60 -1.68 -0.02 -1.26 -4.87 135.00 127.27 3irt n PRO 5 Ca 0.01 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 3irt n PRO 5 Cb 0.49 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 3irt n PRO 5 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3irt s MET 6 N 1.61 1.69 -0.31 -0.52 1.75 -1.26 -4.76 119.30 117.50 3irt s MET 6 Ca 0.82 -1.19 -0.22 0.00 -1.25 0.00 0.00 55.69 53.85 3irt s MET 6 Cb -0.69 -2.00 -0.00 0.00 2.84 0.00 0.00 34.83 34.97 3irt s MET 6 CO 0.41 0.49 0.73 -1.21 -0.65 0.00 0.00 175.02 174.80 3irt s GLU 7 N -1.69 3.94 -0.57 4.11 2.02 -1.26 -4.96 118.70 120.28 3irt s GLU 7 Ca 0.14 0.48 -0.28 0.00 0.02 0.00 0.00 54.97 55.33 3irt s GLU 7 Cb -0.10 -3.73 0.01 0.00 0.10 0.00 0.00 34.13 30.41 3irt s GLU 7 CO 0.05 -0.64 1.42 0.42 0.02 0.00 0.00 175.26 176.52 3irt s ILE 8 N 2.83 3.77 0.11 -1.63 1.09 -1.26 -4.68 121.20 121.44 3irt s ILE 8 Ca 0.30 0.65 -0.18 0.00 -1.10 0.00 0.00 60.65 60.32 3irt s ILE 8 Cb -0.14 -4.45 0.04 0.00 -1.06 0.00 0.00 42.46 36.84 3irt s ILE 8 CO 0.12 -1.20 0.44 0.54 -0.10 0.00 0.00 174.94 174.74 3irt s ASN 9 N 4.47 -0.30 0.39 3.58 2.20 -1.26 -5.04 114.94 118.98 3irt s ASN 9 Ca 0.52 -0.19 0.17 0.00 -0.94 0.00 0.00 52.86 52.42 3irt s ASN 9 Cb -0.11 0.49 1.07 0.00 -2.00 0.00 0.00 41.25 40.70 3irt s ASN 9 CO 0.24 -0.83 1.79 -0.65 -2.94 0.00 0.00 177.10 174.71 3irt h PRO 10 N 2.43 0.42 0.45 3.55 0.11 -1.89 -0.36 132.00 136.71 3irt h PRO 10 Ca -0.33 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 3irt h PRO 10 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3irt h PRO 10 CO 0.45 0.28 -0.22 1.49 -0.21 0.00 0.00 178.00 179.79 3irt h GLU 11 N 0.43 -0.59 -0.40 1.05 4.81 -1.96 -2.02 114.58 115.91 3irt h GLU 11 Ca 0.57 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.84 3irt h GLU 11 Cb 1.38 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.88 3irt h GLU 11 CO -0.28 -0.29 0.25 0.52 -0.73 0.00 0.00 179.01 178.48 3irt h MET 12 N -0.86 0.54 -0.12 1.92 2.86 -1.56 -2.06 114.93 115.65 3irt h MET 12 Ca -0.06 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3irt h MET 12 Cb 0.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3irt h MET 12 CO 0.10 0.39 0.06 -0.07 1.06 0.00 0.00 176.91 178.45 3irt h LEU 13 N 0.53 0.08 -1.25 1.22 3.38 -1.17 -2.50 115.31 115.59 3irt h LEU 13 Ca 0.14 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3irt h LEU 13 Cb -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3irt h LEU 13 CO -0.03 0.07 0.54 0.78 0.09 0.00 0.00 178.44 179.88 3irt h ASN 14 N 0.12 0.80 -0.77 -0.43 2.35 -1.16 0.91 115.58 117.40 3irt h ASN 14 Ca 0.05 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3irt h ASN 14 Cb 0.01 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 3irt h ASN 14 CO -0.04 0.52 0.51 0.11 -1.65 0.00 0.00 177.43 176.88 3irt h LYS 15 N 0.91 0.95 -0.27 0.81 1.57 -0.96 -0.86 116.57 118.73 3irt h LYS 15 Ca 0.35 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.90 3irt h LYS 15 Cb 0.22 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3irt h LYS 15 CO -0.12 0.63 -0.53 0.28 -0.57 0.00 0.00 179.45 179.13 3irt h VAL 16 N 0.98 1.29 -0.34 0.50 2.07 -0.52 -1.60 116.25 118.63 3irt h VAL 16 Ca 0.30 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 66.15 3irt h VAL 16 Cb -0.02 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3irt h VAL 16 CO -0.08 0.56 -0.05 -0.07 0.02 0.00 0.00 177.57 177.95 3irt h LEU 17 N 0.60 -0.24 0.15 2.57 3.38 -0.36 0.42 115.31 121.84 3irt h LEU 17 Ca 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3irt h LEU 17 Cb 1.12 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3irt h LEU 17 CO 0.11 -0.08 -0.08 -1.28 0.09 0.00 0.00 178.44 177.21 3irt h SER 18 N 0.04 -0.18 0.15 -0.43 0.87 -1.03 -1.14 113.55 111.83 3irt h SER 18 Ca 0.17 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3irt h SER 18 Cb 0.24 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3irt h SER 18 CO -0.32 -0.13 -0.11 0.03 -0.53 0.00 0.00 176.83 175.77 3irt h ARG 19 N -0.21 0.00 -0.01 2.24 3.08 -0.93 -0.41 114.38 118.14 3irt h ARG 19 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3irt h ARG 19 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3irt h ARG 19 CO 0.03 0.11 -0.20 1.28 -1.07 0.00 0.00 179.97 180.13 3irt n LEU 20 N -4.17 0.96 -1.50 3.04 4.77 0.11 -4.78 117.00 115.44 3irt n LEU 20 Ca -0.03 -0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 55.70 3irt n LEU 20 Cb 0.19 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3irt n LEU 20 CO 0.33 0.18 0.01 0.61 -1.33 0.00 0.00 177.39 177.19 3irt n GLY 21 N 1.31 0.53 3.62 -0.72 0.00 -0.16 -2.49 105.19 107.27 3irt n GLY 21 Ca 0.13 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3irt n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3irt s VAL 22 N -3.04 4.14 0.11 1.61 1.01 -0.50 -2.04 120.40 121.70 3irt s VAL 22 Ca 0.03 -0.30 -0.35 0.00 0.00 0.00 0.00 61.98 61.36 3irt s VAL 22 Cb -0.00 -2.76 -0.17 0.00 0.00 0.00 0.00 36.38 33.44 3irt s VAL 22 CO 0.08 0.57 1.05 0.00 0.00 0.00 0.00 175.10 176.80 3irt n ALA 23 N 2.55 -2.05 1.82 5.51 0.00 1.00 -4.68 120.51 124.66 3irt n ALA 23 Ca -0.18 0.51 0.01 0.00 0.00 0.00 0.00 53.44 53.78 3irt n ALA 23 Cb 0.53 -1.88 0.04 0.00 0.00 0.00 0.00 19.45 18.14 3irt n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3irt n GLY 24 N 1.91 -0.91 0.08 0.00 0.00 -1.26 -3.74 105.19 101.27 3irt n GLY 24 Ca 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3irt n GLY 24 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3irt h GLN 25 N 0.00 -0.07 -6.04 1.61 4.20 -1.98 -3.44 115.11 109.40 3irt h GLN 25 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.11 3irt h GLN 25 Cb 0.00 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 3irt h GLN 25 CO 0.00 0.37 -0.21 -1.58 -0.67 0.00 0.00 178.83 176.74 3irt s TRP 26 N -4.34 3.70 0.08 2.96 0.52 -1.25 -1.47 118.94 119.15 3irt s TRP 26 Ca -0.15 0.96 -0.08 0.00 0.02 0.00 0.00 56.10 56.85 3irt s TRP 26 Cb 0.02 -2.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.06 3irt s TRP 26 CO 0.64 0.62 0.16 1.03 0.02 0.00 0.00 176.95 179.42 3irt s ARG 27 N -1.25 0.80 0.12 4.98 1.81 -0.60 -4.88 118.95 119.93 3irt s ARG 27 Ca 0.26 -0.98 -0.26 0.00 -1.72 0.00 0.00 55.73 53.03 3irt s ARG 27 Cb -0.16 0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.59 3irt s ARG 27 CO 0.14 -0.24 0.79 -0.06 -0.68 0.00 0.00 175.30 175.25 3irt s PHE 28 N -3.80 3.84 0.12 -0.53 0.40 -1.26 -1.84 117.98 114.92 3irt s PHE 28 Ca 0.05 1.59 0.06 0.00 -0.60 0.00 0.00 56.93 58.02 3irt s PHE 28 Cb 0.05 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 3irt s PHE 28 CO -0.11 0.40 -0.13 0.14 0.70 0.00 0.00 175.22 176.22 3irt s VAL 29 N -0.65 1.28 0.57 -0.44 -7.23 0.11 -4.74 120.40 109.30 3irt s VAL 29 Ca 0.38 -1.75 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 3irt s VAL 29 Cb -0.22 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 3irt s VAL 29 CO 0.25 -0.46 1.12 -1.81 -0.31 0.00 0.00 175.10 173.89 3irt s ASP 30 N -2.53 5.61 -0.22 4.85 1.01 -1.26 -0.76 116.67 123.37 3irt s ASP 30 Ca 0.09 2.13 -0.01 0.00 0.71 0.00 0.00 52.55 55.47 3irt s ASP 30 Cb -0.04 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.38 3irt s ASP 30 CO 0.03 -1.29 -0.00 -0.69 0.21 0.00 0.00 175.17 173.42 3irt s VAL 31 N -1.90 1.00 -1.83 -1.27 1.01 -0.51 -4.75 120.40 112.15 3irt s VAL 31 Ca 0.71 -0.90 0.27 0.00 0.00 0.00 0.00 61.98 62.06 3irt s VAL 31 Cb -0.23 -1.41 0.32 0.00 0.00 0.00 0.00 36.38 35.05 3irt s VAL 31 CO 0.30 -0.18 1.61 0.18 0.00 0.00 0.00 175.10 177.00 3irt n LEU 32 N 4.87 1.04 -3.59 3.92 4.32 -1.26 -4.04 117.00 122.26 3irt n LEU 32 Ca -0.10 -0.27 -0.16 0.00 -0.02 0.00 0.00 56.01 55.46 3irt n LEU 32 Cb 0.45 -0.11 -0.07 0.00 -1.62 0.00 0.00 43.42 42.07 3irt n LEU 32 CO 0.15 0.19 0.39 -0.83 -1.22 0.00 0.00 177.39 176.07 3irt s GLY 33 N -2.44 -0.53 -0.88 -0.72 0.00 -1.26 -5.09 107.32 96.40 3irt s GLY 33 Ca 0.26 1.52 -0.01 0.00 0.00 0.00 0.00 44.72 46.50 3irt s GLY 33 CO 0.50 1.21 0.91 1.04 0.00 0.00 0.00 173.10 176.75 3irt n LEU 34 N 1.70 4.53 0.00 0.66 4.77 -1.26 -4.42 117.00 122.97 3irt n LEU 34 Ca -0.17 -5.21 -0.03 0.00 -0.03 0.00 0.00 56.01 50.57 3irt n LEU 34 Cb 0.56 -1.04 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 3irt n LEU 34 CO 0.15 1.69 0.32 -1.84 -1.33 0.00 0.00 177.39 176.38 3irt n GLU 35 N 1.82 0.40 0.00 3.23 0.00 -1.26 -4.90 120.64 119.93 3irt n GLU 35 Ca 0.24 -0.84 0.00 0.00 0.00 0.00 0.00 57.16 56.57 3irt n GLU 35 Cb 0.37 1.08 0.00 0.00 0.00 0.00 0.00 31.44 32.89 3irt n GLU 35 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 3irt n GLU 36 N -0.29 0.00 -1.71 3.44 0.00 -1.26 -3.82 120.64 117.00 3irt n GLU 36 Ca -0.02 0.89 -0.30 0.00 0.00 0.00 0.00 57.16 57.72 3irt n GLU 36 Cb 0.27 -1.35 0.21 0.00 0.00 0.00 0.00 31.44 30.57 3irt n GLU 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3irt s GLU 37 N -2.85 -0.04 0.00 3.44 2.12 -1.26 -3.75 118.70 116.35 3irt s GLU 37 Ca 0.00 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3irt s GLU 37 Cb 0.00 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.63 3irt s GLU 37 CO 0.00 -2.87 0.00 0.45 -0.54 0.00 0.00 175.26 172.30 3irt n SER 38 N -4.09 0.00 0.07 -1.70 2.88 -1.26 -4.51 113.62 105.00 3irt n SER 38 Ca 0.16 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.47 3irt n SER 38 Cb 0.59 -0.09 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 3irt n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3irt h LEU 39 N 0.00 0.60 -1.69 2.46 3.38 -1.66 -3.32 115.31 115.09 3irt h LEU 39 Ca 0.00 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.04 3irt h LEU 39 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3irt h LEU 39 CO 0.00 1.72 0.06 1.23 0.09 0.00 0.00 178.44 181.54 3irt h GLY 40 N 0.39 0.27 2.00 0.83 0.00 -1.79 -1.58 103.07 103.19 3irt h GLY 40 Ca -0.31 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3irt h GLY 40 CO 0.17 0.11 0.00 0.23 0.00 0.00 0.00 176.54 177.05 3irt h SER 41 N 0.26 0.00 -3.37 0.19 0.87 -1.92 -3.42 113.55 106.16 3irt h SER 41 Ca 0.07 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.07 3irt h SER 41 Cb 0.09 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 3irt h SER 41 CO -0.00 0.00 0.23 -0.69 -0.53 0.00 0.00 176.83 175.83 3irt s VAL 42 N -3.55 4.96 0.88 2.23 1.01 -0.60 -5.03 120.40 120.30 3irt s VAL 42 Ca 0.02 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.51 3irt s VAL 42 Cb 0.09 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3irt s VAL 42 CO 0.45 0.18 0.10 -2.65 0.00 0.00 0.00 175.10 173.18 3irt n PRO 43 N 4.07 -0.05 -4.27 2.72 -0.02 -1.26 -5.01 135.00 131.18 3irt n PRO 43 Ca 0.02 0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.35 3irt n PRO 43 Cb 0.51 -1.58 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 3irt n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3irt s ALA 44 N -2.15 1.63 0.43 3.55 0.00 -1.26 -4.32 121.76 119.64 3irt s ALA 44 Ca 0.55 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 3irt s ALA 44 Cb -0.26 -0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 3irt s ALA 44 CO 0.69 0.01 0.86 -2.14 0.00 0.00 0.00 175.76 175.17 3irt s PRO 45 N -3.41 3.90 -0.14 0.00 0.02 -1.26 -4.58 135.00 129.53 3irt s PRO 45 Ca 0.16 0.72 -0.05 0.00 0.02 0.00 0.00 61.00 61.86 3irt s PRO 45 Cb -0.01 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 3irt s PRO 45 CO 0.03 -0.09 0.02 0.00 -0.33 0.00 0.00 177.00 176.63 3irt s ALA 46 N -2.40 3.29 -0.92 -1.55 0.00 -1.26 -3.24 121.76 115.68 3irt s ALA 46 Ca 0.55 -0.78 0.13 0.00 0.00 0.00 0.00 51.96 51.87 3irt s ALA 46 Cb -0.10 -1.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 3irt s ALA 46 CO 0.28 0.35 0.66 0.00 0.00 0.00 0.00 175.76 177.05 3irt s ALA 48 N -2.00 -1.79 -0.11 0.00 0.00 -1.24 -4.42 121.76 112.20 3irt s ALA 48 Ca 0.08 2.11 0.02 0.00 0.00 0.00 0.00 51.96 54.17 3irt s ALA 48 Cb 0.11 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 22.01 3irt s ALA 48 CO 0.46 -0.35 -0.17 -1.17 0.00 0.00 0.00 175.76 174.53 3irt s LEU 49 N 0.65 1.84 -0.08 0.00 2.96 -0.34 -1.05 118.68 122.66 3irt s LEU 49 Ca -0.02 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3irt s LEU 49 Cb -0.05 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 3irt s LEU 49 CO -0.04 0.04 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.12 3irt s LEU 50 N 0.87 2.60 -0.14 -0.68 1.02 -0.28 0.03 118.68 122.09 3irt s LEU 50 Ca -0.08 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 53.77 3irt s LEU 50 Cb -0.15 -1.54 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 3irt s LEU 50 CO -0.00 0.27 -0.15 -0.22 0.02 0.00 0.00 176.35 176.26 3irt s LEU 51 N -0.26 2.51 -0.40 1.79 2.96 0.70 -1.95 118.68 124.04 3irt s LEU 51 Ca 0.01 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.32 3irt s LEU 51 Cb -0.13 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.01 3irt s LEU 51 CO 0.03 0.11 0.37 -0.22 -1.32 0.00 0.00 176.35 175.32 3irt s LEU 52 N 0.66 4.86 -0.09 -0.68 2.96 0.39 -0.68 118.68 126.11 3irt s LEU 52 Ca -0.08 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.11 3irt s LEU 52 Cb -0.16 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.28 3irt s LEU 52 CO 0.02 -0.48 0.21 0.12 -1.32 0.00 0.00 176.35 174.90 3irt s PHE 53 N 1.94 -0.26 0.33 5.38 5.36 -0.38 -1.93 117.98 128.43 3irt s PHE 53 Ca 0.09 0.63 -0.26 0.00 -0.96 0.00 0.00 56.93 56.43 3irt s PHE 53 Cb -0.18 0.04 -0.09 0.00 -0.34 0.00 0.00 43.02 42.45 3irt s PHE 53 CO 0.12 -0.17 1.01 -2.14 -1.46 0.00 0.00 175.22 172.58 3irt s PRO 54 N 0.77 4.48 -0.05 10.12 0.02 -1.26 -0.52 135.00 148.56 3irt s PRO 54 Ca -0.05 1.50 0.06 0.00 0.02 0.00 0.00 61.00 62.52 3irt s PRO 54 Cb -0.07 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.61 3irt s PRO 54 CO -0.04 0.15 -0.23 -0.51 -0.33 0.00 0.00 177.00 176.03 3irt s LEU 55 N -2.05 2.03 0.63 -5.54 1.43 -0.74 -4.92 118.68 109.51 3irt s LEU 55 Ca 0.51 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 3irt s LEU 55 Cb -0.23 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3irt s LEU 55 CO 0.29 0.23 1.09 0.42 0.23 0.00 0.00 176.35 178.61 3irt s THR 56 N -0.19 3.47 0.26 5.49 -4.23 -1.26 -4.70 115.64 114.48 3irt s THR 56 Ca -0.01 0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 61.18 3irt s THR 56 Cb -0.12 -3.22 0.24 0.00 1.34 0.00 0.00 72.50 70.74 3irt s THR 56 CO 0.02 -0.41 1.72 0.00 -0.54 0.00 0.00 174.62 175.42 3irt h ALA 57 N 0.25 1.20 0.27 3.99 0.00 -2.00 -0.60 119.26 122.37 3irt h ALA 57 Ca -0.47 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3irt h ALA 57 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3irt h ALA 57 CO 0.56 -0.22 -0.13 1.96 0.00 0.00 0.00 179.25 181.41 3irt h GLN 58 N 0.46 -0.34 -0.38 0.00 7.50 -2.01 -2.77 115.11 117.58 3irt h GLN 58 Ca 0.47 0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.65 3irt h GLN 58 Cb 0.75 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.34 3irt h GLN 58 CO -0.44 -0.13 0.25 0.45 -1.50 0.00 0.00 178.83 177.46 3irt h HIS 59 N -0.49 0.45 0.18 2.96 3.86 -1.76 -1.76 115.15 118.59 3irt h HIS 59 Ca -0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3irt h HIS 59 Cb 0.37 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3irt h HIS 59 CO -0.02 0.28 -0.08 1.49 0.86 0.00 0.00 177.93 180.45 3irt h GLU 60 N 0.48 -0.23 -0.88 2.45 4.81 -1.02 0.49 114.58 120.69 3irt h GLU 60 Ca 0.14 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3irt h GLU 60 Cb -0.02 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 3irt h GLU 60 CO -0.03 0.16 0.55 -0.91 -0.73 0.00 0.00 179.01 178.05 3irt h ASN 61 N -0.69 0.88 0.01 1.04 2.35 -1.41 0.37 115.58 118.14 3irt h ASN 61 Ca -0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3irt h ASN 61 Cb 0.49 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3irt h ASN 61 CO 0.04 0.57 -0.03 0.15 -1.65 0.00 0.00 177.43 176.51 3irt h PHE 62 N 1.02 -0.10 -0.78 1.19 3.04 -1.26 -2.39 116.94 117.67 3irt h PHE 62 Ca 0.38 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.47 3irt h PHE 62 Cb 0.13 0.04 -0.10 0.00 2.56 0.00 0.00 35.95 38.59 3irt h PHE 62 CO -0.03 -0.04 0.34 -0.09 -2.02 0.00 0.00 178.31 176.47 3irt h ARG 63 N -0.05 0.47 -0.65 1.11 9.65 -0.61 -1.47 114.38 122.83 3irt h ARG 63 Ca -0.00 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.93 3irt h ARG 63 Cb 0.05 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 3irt h ARG 63 CO -0.02 0.31 0.32 0.87 2.80 0.00 0.00 179.97 184.25 3irt h LYS 64 N 0.49 0.54 -0.42 0.20 1.57 -0.85 0.39 116.57 118.49 3irt h LYS 64 Ca 0.43 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 59.07 3irt h LYS 64 Cb 0.64 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3irt h LYS 64 CO -0.40 0.36 -0.16 0.87 -0.57 0.00 0.00 179.45 179.56 3irt h LYS 65 N 0.56 0.85 -0.34 3.15 1.79 -0.77 0.11 116.57 121.91 3irt h LYS 65 Ca 0.31 -0.35 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 3irt h LYS 65 Cb 0.30 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.85 3irt h LYS 65 CO -0.24 0.99 -0.09 0.37 -1.08 0.00 0.00 179.45 179.39 3irt h GLN 66 N 0.67 -0.00 -0.28 3.15 4.15 -0.46 0.52 115.11 122.85 3irt h GLN 66 Ca 0.10 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 3irt h GLN 66 Cb 0.71 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3irt h GLN 66 CO 0.05 -0.00 -0.29 0.82 -1.93 0.00 0.00 178.83 177.48 3irt h ILE 67 N -0.00 1.28 -0.36 2.39 2.04 -0.85 -2.47 117.51 119.53 3irt h ILE 67 Ca 0.17 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 3irt h ILE 67 Cb 0.26 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3irt h ILE 67 CO -0.36 0.44 -0.04 -0.08 0.00 0.00 0.00 178.15 178.11 3irt h GLU 68 N 0.49 0.58 0.14 2.37 4.57 -0.14 -2.91 114.58 119.67 3irt h GLU 68 Ca 0.06 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3irt h GLU 68 Cb 0.75 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3irt h GLU 68 CO 0.06 0.63 -0.07 1.49 -1.18 0.00 0.00 179.01 179.95 3irt h GLU 69 N 0.54 -0.18 -4.13 1.92 4.57 0.44 -3.15 114.58 114.59 3irt h GLU 69 Ca 0.11 0.01 -0.65 0.00 -1.18 0.00 0.00 59.36 57.66 3irt h GLU 69 Cb 0.41 0.04 0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3irt h GLU 69 CO 0.02 -0.09 2.70 1.28 -1.18 0.00 0.00 179.01 181.74 3irt n LEU 70 N -5.15 5.36 -4.42 1.64 4.77 -0.98 -4.95 117.00 113.26 3irt n LEU 70 Ca -0.08 -3.39 -0.34 0.00 -0.03 0.00 0.00 56.01 52.17 3irt n LEU 70 Cb 0.11 -1.32 0.10 0.00 -2.33 0.00 0.00 43.42 39.98 3irt n LEU 70 CO 0.34 0.36 -0.06 0.29 -1.33 0.00 0.00 177.39 176.99 3irt n LYS 71 N 6.24 -0.06 -1.63 3.23 5.02 -1.19 -4.54 118.16 125.23 3irt n LYS 71 Ca 0.51 0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.68 3irt n LYS 71 Cb 0.36 -1.83 -0.11 0.00 -0.02 0.00 0.00 35.03 33.43 3irt n LYS 71 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3irt s GLY 72 N -1.79 -1.09 -0.05 0.72 0.00 -1.26 -4.60 107.32 99.25 3irt s GLY 72 Ca 0.60 -1.50 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 3irt s GLY 72 CO 0.64 4.27 -0.16 -1.06 0.00 0.00 0.00 173.10 176.79 3irt n GLN 73 N 8.18 0.24 0.30 2.90 6.02 -1.26 -4.61 117.38 129.15 3irt n GLN 73 Ca 0.42 0.10 0.19 0.00 -0.01 0.00 0.00 57.00 57.70 3irt n GLN 73 Cb 0.47 -0.92 0.93 0.00 1.02 0.00 0.00 30.24 31.73 3irt n GLN 73 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3irt h GLU 74 N -0.45 0.00 -6.26 -1.09 4.39 -1.94 -3.44 114.58 105.79 3irt h GLU 74 Ca -0.07 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.08 3irt h GLU 74 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3irt h GLU 74 CO -0.04 0.02 1.22 0.08 -1.16 0.00 0.00 179.01 179.12 3irt s VAL 75 N -3.96 3.28 0.40 3.13 1.01 -1.26 -4.96 120.40 118.04 3irt s VAL 75 Ca -0.02 0.33 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 3irt s VAL 75 Cb 0.11 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 3irt s VAL 75 CO 0.49 -0.07 1.10 -0.55 0.00 0.00 0.00 175.10 176.07 3irt s SER 76 N 4.71 6.63 0.45 3.32 0.15 -1.26 -4.95 113.70 122.74 3irt s SER 76 Ca 0.83 2.16 0.14 0.00 0.70 0.00 0.00 55.95 59.78 3irt s SER 76 Cb -0.36 -2.60 1.05 0.00 -1.71 0.00 0.00 66.02 62.40 3irt s SER 76 CO 0.35 -0.59 2.02 1.55 1.20 0.00 0.00 173.24 177.77 3irt h PRO 77 N 2.51 0.35 0.00 5.44 0.13 -1.98 -1.93 132.00 136.52 3irt h PRO 77 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3irt h PRO 77 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3irt h PRO 77 CO 0.62 0.23 0.00 1.63 -0.23 0.00 0.00 178.00 180.26 3irt n LYS 78 N -4.47 0.01 -2.85 0.86 5.02 -1.26 -4.65 118.16 110.82 3irt n LYS 78 Ca 0.07 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.35 3irt n LYS 78 Cb 0.30 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3irt n LYS 78 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3irt s VAL 79 N -2.94 4.83 -0.20 -0.18 1.01 -0.73 -4.99 120.40 117.21 3irt s VAL 79 Ca 0.02 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 63.48 3irt s VAL 79 Cb 0.03 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3irt s VAL 79 CO 0.07 -0.03 0.67 -0.47 0.00 0.00 0.00 175.10 175.34 3irt s TYR 80 N 2.49 3.37 -0.07 5.22 6.14 -1.26 -5.02 117.35 128.22 3irt s TYR 80 Ca 0.39 0.98 -0.04 0.00 0.64 0.00 0.00 57.07 59.03 3irt s TYR 80 Cb -0.16 -2.85 0.03 0.00 0.42 0.00 0.00 41.96 39.41 3irt s TYR 80 CO 0.10 -0.20 0.17 0.12 0.64 0.00 0.00 175.55 176.38 3irt s PHE 81 N 2.02 -0.20 -0.01 4.97 5.36 -1.26 -4.88 117.98 123.97 3irt s PHE 81 Ca 0.30 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 3irt s PHE 81 Cb -0.16 -0.01 -0.00 0.00 -0.34 0.00 0.00 43.02 42.51 3irt s PHE 81 CO 0.10 -0.15 -0.08 0.00 -1.46 0.00 0.00 175.22 173.63 3irt s MET 82 N 0.82 0.73 0.46 10.12 0.23 -1.26 -3.76 119.30 126.65 3irt s MET 82 Ca -0.06 -0.27 -0.24 0.00 -1.03 0.00 0.00 55.69 54.09 3irt s MET 82 Cb -0.08 -0.70 -0.07 0.00 -1.53 0.00 0.00 34.83 32.45 3irt s MET 82 CO -0.04 0.13 1.26 0.15 -2.03 0.00 0.00 175.02 174.49 3irt s LYS 83 N 0.02 3.66 -0.23 3.16 -0.14 -0.94 -4.55 119.74 120.72 3irt s LYS 83 Ca 0.00 2.02 -0.18 0.00 -1.36 0.00 0.00 55.97 56.45 3irt s LYS 83 Cb -0.06 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 3irt s LYS 83 CO -0.00 -0.70 0.53 -1.14 -0.76 0.00 0.00 175.35 173.27 3irt s GLN 84 N -2.60 4.13 0.00 1.68 0.74 0.76 -4.51 119.66 119.86 3irt s GLN 84 Ca 0.63 0.38 0.00 0.00 0.05 0.00 0.00 55.36 56.43 3irt s GLN 84 Cb -0.35 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.15 3irt s GLN 84 CO 0.43 -0.26 0.00 0.25 -0.55 0.00 0.00 175.29 175.16 3irt n THR 85 N 4.87 0.00 -3.70 -0.34 -2.24 -1.26 -4.79 114.28 106.82 3irt n THR 85 Ca -0.04 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 3irt n THR 85 Cb 0.50 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 3irt n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3irt s ILE 86 N -1.89 5.31 0.49 2.28 1.01 -1.26 -4.95 121.20 122.18 3irt s ILE 86 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.92 3irt s ILE 86 Cb 0.00 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 3irt s ILE 86 CO 0.00 0.57 1.05 -0.83 0.00 0.00 0.00 174.94 175.73 3irt s GLY 87 N -0.82 2.54 0.00 6.18 0.00 -1.13 -3.38 107.32 110.71 3irt s GLY 87 Ca 0.18 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.54 3irt s GLY 87 CO 0.07 0.97 0.00 0.70 0.00 0.00 0.00 173.10 174.84 3irt n ASN 88 N -0.94 0.00 0.00 1.64 3.02 -1.26 -1.62 115.26 116.10 3irt n ASN 88 Ca 0.09 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.79 3irt n ASN 88 Cb 0.52 -1.16 0.90 0.00 -0.61 0.00 0.00 39.78 39.44 3irt n ASN 88 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3irt n SER 89 N 0.00 0.00 -0.20 6.41 3.41 -1.22 -4.32 113.62 117.70 3irt n SER 89 Ca 0.00 -1.01 -0.05 0.00 -0.26 0.00 0.00 58.87 57.54 3irt n SER 89 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3irt n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3irt h GLY 91 N 0.00 0.97 1.23 0.00 0.00 -1.93 -3.03 103.07 100.31 3irt h GLY 91 Ca 0.08 -0.82 -0.12 0.00 0.00 0.00 0.00 47.33 46.47 3irt h GLY 91 CO -0.45 0.74 -0.22 -0.84 0.00 0.00 0.00 176.54 175.78 3irt h THR 92 N 0.74 1.27 -0.67 4.70 2.02 -1.69 -1.89 112.91 117.40 3irt h THR 92 Ca 0.11 -1.36 0.10 0.00 0.77 0.00 0.00 66.41 66.03 3irt h THR 92 Cb 0.68 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 3irt h THR 92 CO 0.05 0.46 0.30 0.24 0.37 0.00 0.00 175.52 176.94 3irt h MET 93 N 0.77 0.50 -0.25 6.66 2.86 -1.08 0.94 114.93 125.32 3irt h MET 93 Ca 0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3irt h MET 93 Cb 0.76 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3irt h MET 93 CO 0.06 0.33 0.13 0.78 1.06 0.00 0.00 176.91 179.27 3irt h GLY 94 N 0.51 0.38 0.49 8.32 0.00 -1.35 -1.42 103.07 110.01 3irt h GLY 94 Ca 0.33 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.55 3irt h GLY 94 CO -0.29 0.17 0.05 -2.00 0.00 0.00 0.00 176.54 174.48 3irt h LEU 95 N 0.28 -0.04 0.25 3.11 6.46 -0.52 -0.78 115.31 124.07 3irt h LEU 95 Ca 0.09 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3irt h LEU 95 Cb 0.09 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 3irt h LEU 95 CO -0.01 0.01 -0.12 0.40 -0.62 0.00 0.00 178.44 178.10 3irt h ILE 96 N 0.17 0.77 -0.86 4.05 2.04 -0.65 -1.86 117.51 121.17 3irt h ILE 96 Ca 0.19 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 66.06 3irt h ILE 96 Cb 0.23 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3irt h ILE 96 CO -0.26 0.02 0.56 0.45 0.00 0.00 0.00 178.15 178.91 3irt h HIS 97 N -0.37 0.90 -0.50 1.37 3.86 -1.05 0.36 115.15 119.72 3irt h HIS 97 Ca -0.03 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3irt h HIS 97 Cb 0.28 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3irt h HIS 97 CO -0.05 0.41 0.02 0.00 0.86 0.00 0.00 177.93 179.17 3irt h ALA 98 N 1.57 1.08 0.00 2.45 0.00 -0.77 -2.73 119.26 120.86 3irt h ALA 98 Ca 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3irt h ALA 98 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3irt h ALA 98 CO -0.17 0.58 -0.13 0.28 0.00 0.00 0.00 179.25 179.81 3irt h VAL 99 N 0.78 1.56 -0.89 0.00 2.07 -0.41 -3.28 116.25 116.07 3irt h VAL 99 Ca 0.15 -2.22 0.26 0.00 0.82 0.00 0.00 66.70 65.71 3irt h VAL 99 Cb 0.45 3.00 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 3irt h VAL 99 CO 0.02 0.53 0.68 0.00 0.02 0.00 0.00 177.57 178.82 3irt h ALA 100 N -0.13 2.81 -0.50 1.67 0.00 -0.36 0.15 119.26 122.89 3irt h ALA 100 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3irt h ALA 100 Cb 0.95 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3irt h ALA 100 CO -0.02 -1.14 0.00 0.09 0.00 0.00 0.00 179.25 178.18 3irt n ASN 101 N -4.13 4.71 -1.33 0.00 3.02 -1.03 -4.27 115.26 112.23 3irt n ASN 101 Ca 0.19 -2.71 -0.01 0.00 -0.03 0.00 0.00 54.58 52.02 3irt n ASN 101 Cb 0.99 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 3irt n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3irt n ASN 102 N 0.50 0.16 0.30 6.41 3.02 0.50 -4.91 115.26 121.25 3irt n ASN 102 Ca 0.24 -2.00 0.19 0.00 -0.03 0.00 0.00 54.58 52.98 3irt n ASN 102 Cb 0.95 -0.05 0.94 0.00 -0.61 0.00 0.00 39.78 41.02 3irt n ASN 102 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3irt h GLN 103 N 0.62 0.00 0.00 3.52 4.20 -1.65 -0.63 115.11 121.17 3irt h GLN 103 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 3irt h GLN 103 Cb 1.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.46 3irt h GLN 103 CO -0.06 0.02 0.00 0.38 -0.67 0.00 0.00 178.83 178.50 3irt h ASP 104 N 0.00 0.00 0.00 1.46 2.03 -1.91 -3.20 116.42 114.81 3irt h ASP 104 Ca -0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 3irt h ASP 104 Cb 0.24 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.71 3irt h ASP 104 CO 0.00 0.00 -1.57 0.29 -1.03 0.00 0.00 179.24 176.94 3irt n LYS 105 N -2.82 2.30 -3.97 4.15 5.02 -0.32 -5.02 118.16 117.49 3irt n LYS 105 Ca -0.00 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 3irt n LYS 105 Cb 0.21 -1.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 3irt n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3irt s LEU 106 N -4.50 4.19 0.42 -0.35 1.02 -0.76 -4.96 118.68 113.74 3irt s LEU 106 Ca -0.04 0.26 0.07 0.00 0.02 0.00 0.00 54.13 54.44 3irt s LEU 106 Cb 0.03 -2.52 -0.03 0.00 0.02 0.00 0.00 46.19 43.69 3irt s LEU 106 CO 0.35 0.25 0.32 -0.83 0.02 0.00 0.00 176.35 176.47 3irt s GLY 107 N -1.94 2.21 -0.02 -3.19 0.00 -1.26 -4.73 107.32 98.39 3irt s GLY 107 Ca 0.27 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 43.08 3irt s GLY 107 CO 0.18 -1.78 -0.11 -1.36 0.00 0.00 0.00 173.10 170.04 3irt s PHE 108 N -2.53 1.03 0.93 1.90 0.08 -1.26 -0.00 117.98 118.12 3irt s PHE 108 Ca 0.45 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 3irt s PHE 108 Cb -0.01 -0.69 0.15 0.00 -0.57 0.00 0.00 43.02 41.90 3irt s PHE 108 CO 0.26 -0.06 1.11 -1.83 -0.10 0.00 0.00 175.22 174.60 3irt s GLU 109 N -0.06 0.96 0.01 0.44 -1.05 -0.86 -4.87 118.70 113.27 3irt s GLU 109 Ca 0.01 1.24 -0.30 0.00 -0.15 0.00 0.00 54.97 55.76 3irt s GLU 109 Cb -0.06 -1.74 -0.07 0.00 -0.44 0.00 0.00 34.13 31.81 3irt s GLU 109 CO 0.00 -2.57 1.65 -0.51 0.95 0.00 0.00 175.26 174.79 3irt s ASP 110 N -2.91 6.64 0.00 0.83 -0.00 -1.26 -1.97 116.67 118.00 3irt s ASP 110 Ca 0.65 2.36 0.00 0.00 -0.00 0.00 0.00 52.55 55.56 3irt s ASP 110 Cb -0.21 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 3irt s ASP 110 CO 0.59 -0.90 0.00 0.61 -0.00 0.00 0.00 175.17 175.46 3irt n GLY 111 N 4.06 0.49 3.67 0.21 0.00 -1.26 -4.99 105.19 107.37 3irt n GLY 111 Ca 0.16 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3irt n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3irt s SER 112 N -2.90 6.43 0.23 1.61 0.15 -0.83 -4.88 113.70 113.50 3irt s SER 112 Ca 0.00 2.71 -0.07 0.00 0.70 0.00 0.00 55.95 59.30 3irt s SER 112 Cb 0.00 -2.54 0.30 0.00 -1.71 0.00 0.00 66.02 62.07 3irt s SER 112 CO 0.00 -1.04 1.83 0.58 1.20 0.00 0.00 173.24 175.81 3irt h VAL 113 N 5.31 1.01 0.17 4.45 2.07 -1.81 -2.02 116.25 125.43 3irt h VAL 113 Ca -0.49 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3irt h VAL 113 Cb 1.23 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3irt h VAL 113 CO 0.94 0.16 -0.08 0.25 0.02 0.00 0.00 177.57 178.86 3irt h LEU 114 N 0.86 -0.20 -0.82 2.57 5.85 -1.83 -2.81 115.31 118.94 3irt h LEU 114 Ca 0.35 -0.22 0.19 0.00 0.84 0.00 0.00 57.88 59.04 3irt h LEU 114 Cb 0.19 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.15 3irt h LEU 114 CO -0.18 0.12 0.28 0.50 -0.34 0.00 0.00 178.44 178.81 3irt h LYS 115 N -0.52 0.32 -0.49 1.25 1.63 -1.72 0.27 116.57 117.31 3irt h LYS 115 Ca -0.02 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.81 3irt h LYS 115 Cb 0.40 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 3irt h LYS 115 CO 0.04 0.21 0.22 0.37 -3.45 0.00 0.00 179.45 176.84 3irt h GLN 116 N 0.33 0.42 -0.10 1.90 4.15 -1.31 -2.15 115.11 118.35 3irt h GLN 116 Ca 0.49 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 3irt h GLN 116 Cb 0.88 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 3irt h GLN 116 CO -0.53 0.28 0.02 0.35 -1.93 0.00 0.00 178.83 177.02 3irt h PHE 117 N 0.43 0.17 -0.59 3.99 3.57 -0.30 -1.24 116.94 122.96 3irt h PHE 117 Ca 0.22 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3irt h PHE 117 Cb 0.17 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3irt h PHE 117 CO -0.12 0.33 0.38 -0.07 -2.23 0.00 0.00 178.31 176.60 3irt h LEU 118 N -0.05 0.65 -0.58 0.59 3.38 -0.91 -1.23 115.31 117.17 3irt h LEU 118 Ca 0.03 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3irt h LEU 118 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3irt h LEU 118 CO 0.00 0.46 -0.58 0.77 0.09 0.00 0.00 178.44 179.19 3irt h SER 119 N 0.77 0.45 0.77 -0.43 4.64 -1.38 -1.11 113.55 117.25 3irt h SER 119 Ca 0.23 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3irt h SER 119 Cb -0.05 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3irt h SER 119 CO -0.07 0.93 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.66 3irt h GLU 120 N 0.30 0.00 0.00 4.77 4.81 -0.77 -3.07 114.58 120.62 3irt h GLU 120 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3irt h GLU 120 Cb 1.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 3irt h GLU 120 CO 0.10 0.08 -0.08 0.25 -0.73 0.00 0.00 179.01 178.63 3irt n THR 121 N -3.28 1.93 -0.06 0.32 -2.24 -0.50 -4.77 114.28 105.68 3irt n THR 121 Ca -0.00 -2.41 -0.10 0.00 -2.27 0.00 0.00 64.05 59.26 3irt n THR 121 Cb 0.30 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3irt n THR 121 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3irt h GLU 122 N 0.16 0.30 -2.57 -0.78 4.81 -1.11 -3.30 114.58 112.09 3irt h GLU 122 Ca -0.00 -0.03 -0.69 0.00 -0.13 0.00 0.00 59.36 58.51 3irt h GLU 122 Cb 1.00 -0.06 -0.36 0.00 0.63 0.00 0.00 28.75 29.96 3irt h GLU 122 CO 0.00 0.26 0.01 1.63 -0.73 0.00 0.00 179.01 180.18 3irt n LYS 123 N -4.89 3.34 -3.77 1.92 4.01 -1.26 -5.01 118.16 112.50 3irt n LYS 123 Ca -0.03 -4.61 -0.10 0.00 -0.51 0.00 0.00 58.31 53.06 3irt n LYS 123 Cb 0.06 -2.37 -0.04 0.00 -0.51 0.00 0.00 35.03 32.17 3irt n LYS 123 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3irt s MET 124 N -2.53 1.35 0.68 1.97 0.23 -1.24 -5.16 119.30 114.60 3irt s MET 124 Ca 0.35 -0.91 -0.13 0.00 -1.03 0.00 0.00 55.69 53.98 3irt s MET 124 Cb 0.09 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.90 3irt s MET 124 CO 0.03 -0.57 1.08 -1.54 -2.03 0.00 0.00 175.02 171.99 3irt s SER 125 N -2.89 5.23 0.36 -1.18 1.04 -1.26 -4.80 113.70 110.20 3irt s SER 125 Ca 0.10 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.37 3irt s SER 125 Cb -0.00 -2.52 0.70 0.00 0.10 0.00 0.00 66.02 64.29 3irt s SER 125 CO -0.02 -1.55 1.99 -0.65 0.98 0.00 0.00 173.24 173.99 3irt h PRO 126 N -0.36 0.77 -0.50 4.02 0.11 -1.97 0.23 132.00 134.30 3irt h PRO 126 Ca -0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3irt h PRO 126 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3irt h PRO 126 CO 0.55 0.51 -0.14 0.93 -0.21 0.00 0.00 178.00 179.64 3irt h GLU 127 N 0.79 0.97 -0.46 1.05 3.07 -1.92 -1.96 114.58 116.12 3irt h GLU 127 Ca 0.26 -0.38 -0.11 0.00 -0.50 0.00 0.00 59.36 58.63 3irt h GLU 127 Cb 0.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3irt h GLU 127 CO -0.07 1.05 -0.15 -0.44 -1.40 0.00 0.00 179.01 178.00 3irt h ASP 128 N 0.83 0.93 -0.85 1.42 3.32 -1.73 -2.84 116.42 117.49 3irt h ASP 128 Ca 0.12 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.87 3irt h ASP 128 Cb 0.70 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 3irt h ASP 128 CO 0.05 1.10 0.55 0.03 -1.72 0.00 0.00 179.24 179.25 3irt h ARG 129 N 0.76 0.89 -0.17 3.56 3.08 -0.42 -0.36 114.38 121.72 3irt h ARG 129 Ca 0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3irt h ARG 129 Cb 0.71 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3irt h ARG 129 CO 0.05 0.59 0.01 0.00 -1.07 0.00 0.00 179.97 179.55 3irt h ALA 130 N 1.55 1.70 -0.05 0.04 0.00 -1.13 -1.52 119.26 119.85 3irt h ALA 130 Ca 0.37 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 3irt h ALA 130 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3irt h ALA 130 CO -0.14 0.23 -0.80 0.87 0.00 0.00 0.00 179.25 179.41 3irt h LYS 131 N 0.24 0.41 -0.31 0.00 1.57 -0.98 -1.34 116.57 116.15 3irt h LYS 131 Ca 0.06 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 3irt h LYS 131 Cb 0.16 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3irt h LYS 131 CO 0.00 1.02 -0.17 0.00 -0.57 0.00 0.00 179.45 179.73 3irt h PHE 133 N 0.51 0.87 0.00 0.00 3.57 -1.13 -0.66 116.94 120.10 3irt h PHE 133 Ca 0.08 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3irt h PHE 133 Cb 0.59 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3irt h PHE 133 CO 0.02 0.90 0.00 0.93 -2.23 0.00 0.00 178.31 177.93 3irt h GLU 134 N 0.59 0.00 0.00 1.11 5.08 -1.04 -2.46 114.58 117.87 3irt h GLU 134 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3irt h GLU 134 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3irt h GLU 134 CO 0.04 0.00 -0.60 1.63 -1.00 0.00 0.00 179.01 179.08 3irt n LYS 135 N -2.97 2.88 -2.69 2.33 5.02 -1.05 -4.85 118.16 116.84 3irt n LYS 135 Ca -0.01 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3irt n LYS 135 Cb 0.15 -1.09 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 3irt n LYS 135 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3irt s ASN 136 N -2.19 6.64 0.50 4.39 3.84 -0.28 -4.82 114.94 123.02 3irt s ASN 136 Ca 0.04 -1.89 0.15 0.00 0.21 0.00 0.00 52.86 51.37 3irt s ASN 136 Cb 0.09 -2.51 1.19 0.00 -0.55 0.00 0.00 41.25 39.47 3irt s ASN 136 CO 0.51 -1.28 2.13 -0.33 -2.79 0.00 0.00 177.10 175.33 3irt h GLU 137 N 8.97 0.08 0.60 0.43 4.39 -1.89 -2.86 114.58 124.30 3irt h GLU 137 Ca 0.24 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 3irt h GLU 137 Cb 0.98 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3irt h GLU 137 CO 1.34 0.06 -0.34 0.00 -1.16 0.00 0.00 179.01 178.91 3irt h ALA 138 N 1.95 -0.88 -0.65 3.43 0.00 -1.97 0.16 119.26 121.30 3irt h ALA 138 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3irt h ALA 138 Cb 0.01 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3irt h ALA 138 CO -0.00 -1.01 0.21 0.82 0.00 0.00 0.00 179.25 179.27 3irt h ILE 139 N -0.87 1.25 -0.73 0.00 2.04 -1.92 -0.87 117.51 116.41 3irt h ILE 139 Ca -0.08 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3irt h ILE 139 Cb 0.70 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3irt h ILE 139 CO 0.10 0.33 0.46 1.56 0.00 0.00 0.00 178.15 180.60 3irt h GLN 140 N 0.94 0.89 -0.69 2.37 4.20 -1.40 -0.33 115.11 121.09 3irt h GLN 140 Ca 0.21 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3irt h GLN 140 Cb 0.29 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3irt h GLN 140 CO -0.01 0.59 0.37 0.00 -0.67 0.00 0.00 178.83 179.11 3irt h ALA 141 N 1.30 0.89 -0.81 3.87 0.00 -0.12 0.36 119.26 124.76 3irt h ALA 141 Ca 0.29 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3irt h ALA 141 Cb -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3irt h ALA 141 CO -0.10 0.42 0.53 0.00 0.00 0.00 0.00 179.25 180.10 3irt h ALA 142 N 1.18 1.41 0.55 0.00 0.00 -0.56 0.74 119.26 122.59 3irt h ALA 142 Ca 0.24 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3irt h ALA 142 Cb 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.53 3irt h ALA 142 CO -0.04 0.54 -0.27 1.25 0.00 0.00 0.00 179.25 180.74 3irt h HIS 143 N 1.10 -0.69 -0.14 0.00 6.17 -0.43 -2.77 115.15 118.39 3irt h HIS 143 Ca 0.30 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.38 3irt h HIS 143 Cb -0.12 0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 3irt h HIS 143 CO 0.00 -0.37 0.10 -0.44 0.71 0.00 0.00 177.93 177.92 3irt h ASP 144 N -1.11 0.06 -0.22 3.26 3.45 -0.82 0.18 116.42 121.23 3irt h ASP 144 Ca -0.08 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.33 3irt h ASP 144 Cb 0.62 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 3irt h ASP 144 CO 0.12 0.05 -0.09 0.00 -1.57 0.00 0.00 179.24 177.75 3irt h ALA 145 N 1.93 0.31 -0.03 3.45 0.00 -0.88 -3.02 119.26 121.02 3irt h ALA 145 Ca 0.06 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 3irt h ALA 145 Cb 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3irt h ALA 145 CO -0.01 0.13 -0.83 0.28 0.00 0.00 0.00 179.25 178.83 3irt h VAL 146 N 0.16 1.42 -0.71 0.00 2.07 -1.08 -3.26 116.25 114.84 3irt h VAL 146 Ca 0.05 -2.35 0.07 0.00 0.82 0.00 0.00 66.70 65.28 3irt h VAL 146 Cb 0.57 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 3irt h VAL 146 CO 0.03 0.70 0.40 0.00 0.02 0.00 0.00 177.57 178.72 3irt h ALA 147 N 0.90 0.97 0.00 1.67 0.00 -0.69 -1.96 119.26 120.15 3irt h ALA 147 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3irt h ALA 147 Cb 1.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3irt h ALA 147 CO 0.14 0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.51 3irt n GLN 148 N -4.76 0.14 0.00 0.00 6.02 -1.14 -2.25 117.38 115.38 3irt n GLN 148 Ca 0.10 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.35 3irt n GLN 148 Cb 0.19 -1.67 0.62 0.00 1.02 0.00 0.00 30.24 30.40 3irt n GLN 148 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3irt n GLU 149 N -1.91 0.35 -1.99 -1.09 1.02 -0.74 -4.82 120.64 111.46 3irt n GLU 149 Ca 0.06 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 3irt n GLU 149 Cb 0.36 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 3irt n GLU 149 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3irt s GLY 150 N -2.57 1.63 0.41 0.62 0.00 -0.95 -4.90 107.32 101.56 3irt s GLY 150 Ca 0.23 1.18 0.10 0.00 0.00 0.00 0.00 44.72 46.23 3irt s GLY 150 CO 0.37 2.75 1.96 -1.61 0.00 0.00 0.00 173.10 176.57 3irt h GLN 151 N 7.88 0.23 0.00 2.90 4.15 -1.90 -3.45 115.11 124.93 3irt h GLN 151 Ca -0.42 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.96 3irt h GLN 151 Cb 1.20 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3irt h GLN 151 CO 0.92 0.33 0.00 0.00 -1.93 0.00 0.00 178.83 178.14 3irt n ARG 153 N -0.01 0.00 -1.89 0.00 1.74 -1.26 -5.02 116.66 110.23 3irt n ARG 153 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3irt n ARG 153 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3irt n ARG 153 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3irt n VAL 154 N 0.00-10.52 -2.74 1.55 0.31 -1.26 -4.85 118.33 100.82 3irt n VAL 154 Ca 0.00 2.41 -0.05 0.00 -0.01 0.00 0.00 64.34 66.69 3irt n VAL 154 Cb 0.00 -5.09 0.03 0.00 -0.91 0.00 0.00 33.84 27.87 3irt n VAL 154 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3irt n ASP 155 N 1.37 -2.86 -1.43 4.52 2.03 -1.26 -4.99 116.55 113.93 3irt n ASP 155 Ca 0.00 -2.72 -0.06 0.00 0.52 0.00 0.00 54.79 52.52 3irt n ASP 155 Cb 0.00 1.58 0.12 0.00 -0.72 0.00 0.00 41.12 42.10 3irt n ASP 155 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3irt n ASP 156 N 2.34 3.30 -1.27 1.67 5.75 -1.26 -4.84 116.55 122.24 3irt n ASP 156 Ca 0.13 -2.64 -0.12 0.00 -0.01 0.00 0.00 54.79 52.14 3irt n ASP 156 Cb 0.61 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 3irt n ASP 156 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3irt n LYS 157 N -0.08 -0.95 -2.15 0.11 4.76 -1.26 -4.96 118.16 113.63 3irt n LYS 157 Ca 0.23 0.70 -0.42 0.00 -2.87 0.00 0.00 58.31 55.94 3irt n LYS 157 Cb 0.93 -4.84 -0.03 0.00 -1.84 0.00 0.00 35.03 29.26 3irt n LYS 157 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3irt s VAL 158 N -2.57 3.70 -1.00 -0.18 1.01 -1.26 -4.89 120.40 115.21 3irt s VAL 158 Ca 0.00 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 62.74 3irt s VAL 158 Cb 0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 3irt s VAL 158 CO 0.00 -0.05 1.93 -3.20 0.00 0.00 0.00 175.10 173.78 3irt n ASN 159 N 6.26 2.96 -4.81 3.32 5.15 -1.26 -4.94 115.26 121.94 3irt n ASN 159 Ca 0.15 -2.71 -0.34 0.00 -0.60 0.00 0.00 54.58 51.08 3irt n ASN 159 Cb 0.43 -1.41 -0.06 0.00 -0.53 0.00 0.00 39.78 38.21 3irt n ASN 159 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3irt s PHE 160 N 7.04 3.23 -0.08 1.20 0.08 -1.26 -1.80 117.98 126.39 3irt s PHE 160 Ca 0.61 1.61 0.03 0.00 0.12 0.00 0.00 56.93 59.29 3irt s PHE 160 Cb 0.08 -2.94 0.01 0.00 -0.57 0.00 0.00 43.02 39.61 3irt s PHE 160 CO 0.11 -0.35 -0.15 -1.01 -0.10 0.00 0.00 175.22 173.73 3irt s HIS 161 N -2.06 1.70 -0.46 0.36 3.76 0.33 -4.90 115.29 114.02 3irt s HIS 161 Ca 0.63 -0.66 -0.11 0.00 -0.15 0.00 0.00 55.06 54.76 3irt s HIS 161 Cb -0.12 -1.22 0.09 0.00 1.11 0.00 0.00 32.58 32.44 3irt s HIS 161 CO 0.16 -0.32 0.33 0.12 -0.85 0.00 0.00 174.74 174.19 3irt s PHE 162 N 0.64 3.33 -0.23 1.40 5.36 -1.26 -1.25 117.98 125.98 3irt s PHE 162 Ca -0.15 -1.46 -0.06 0.00 -0.96 0.00 0.00 56.93 54.31 3irt s PHE 162 Cb -0.16 -3.22 -0.02 0.00 -0.34 0.00 0.00 43.02 39.28 3irt s PHE 162 CO 0.04 -0.89 0.02 0.42 -1.46 0.00 0.00 175.22 173.36 3irt s ILE 163 N 1.47 3.99 -0.06 3.12 1.01 0.15 -4.73 121.20 126.15 3irt s ILE 163 Ca 0.04 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.27 3irt s ILE 163 Cb -0.25 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 3irt s ILE 163 CO 0.02 0.38 0.34 -0.22 0.00 0.00 0.00 174.94 175.47 3irt s LEU 164 N 1.41 4.41 -0.08 2.97 2.96 -0.18 -0.21 118.68 129.96 3irt s LEU 164 Ca 0.05 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 3irt s LEU 164 Cb -0.15 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 3irt s LEU 164 CO 0.01 0.29 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.74 3irt s PHE 165 N -0.72 2.36 -0.03 5.38 0.40 0.10 -0.53 117.98 124.94 3irt s PHE 165 Ca 0.21 -0.87 -0.30 0.00 -0.60 0.00 0.00 56.93 55.37 3irt s PHE 165 Cb -0.15 -1.58 0.11 0.00 0.51 0.00 0.00 43.02 41.91 3irt s PHE 165 CO 0.10 -0.33 0.97 0.54 0.70 0.00 0.00 175.22 177.20 3irt s ASN 166 N 0.20 -0.29 -0.05 1.36 4.22 -0.93 -1.19 114.94 118.26 3irt s ASN 166 Ca -0.13 -0.04 -0.25 0.00 -2.14 0.00 0.00 52.86 50.30 3irt s ASN 166 Cb -0.16 0.34 -0.03 0.00 1.28 0.00 0.00 41.25 42.67 3irt s ASN 166 CO 0.06 -0.56 0.78 0.20 -2.04 0.00 0.00 177.10 175.54 3irt s ASN 167 N -2.47 7.09 -0.06 3.54 -0.87 -1.26 -1.24 114.94 119.67 3irt s ASN 167 Ca 0.07 1.32 -0.02 0.00 -1.57 0.00 0.00 52.86 52.65 3irt s ASN 167 Cb -0.01 -2.46 0.03 0.00 -0.02 0.00 0.00 41.25 38.80 3irt s ASN 167 CO -0.07 -0.15 0.06 -0.69 -2.57 0.00 0.00 177.10 173.67 3irt s VAL 168 N 0.85 -0.05 -1.14 1.60 1.01 -0.19 -4.86 120.40 117.62 3irt s VAL 168 Ca 0.41 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.65 3irt s VAL 168 Cb -0.19 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3irt s VAL 168 CO 0.21 0.14 0.99 -0.67 0.00 0.00 0.00 175.10 175.77 3irt n ASP 169 N 5.28 -5.68 -1.07 3.32 2.03 -1.26 -2.66 116.55 116.51 3irt n ASP 169 Ca -0.04 -0.45 -0.11 0.00 0.52 0.00 0.00 54.79 54.71 3irt n ASP 169 Cb 0.50 -4.29 -0.03 0.00 -0.72 0.00 0.00 41.12 36.58 3irt n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3irt n GLY 170 N -1.77 0.59 3.03 0.27 0.00 -1.26 -5.01 105.19 101.04 3irt n GLY 170 Ca 0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 3irt n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3irt s HIS 171 N -2.49 0.51 -0.20 1.61 3.76 -1.09 -2.36 115.29 115.03 3irt s HIS 171 Ca 0.00 -0.53 -0.21 0.00 -0.15 0.00 0.00 55.06 54.17 3irt s HIS 171 Cb 0.00 -0.32 -0.02 0.00 1.11 0.00 0.00 32.58 33.34 3irt s HIS 171 CO 0.00 -0.13 0.65 -1.17 -0.85 0.00 0.00 174.74 173.24 3irt s LEU 172 N -1.58 4.14 -0.02 0.89 2.96 -0.47 -1.02 118.68 123.58 3irt s LEU 172 Ca -0.12 0.85 0.05 0.00 -0.22 0.00 0.00 54.13 54.70 3irt s LEU 172 Cb -0.09 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3irt s LEU 172 CO -0.00 -0.29 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.25 3irt s TYR 173 N 1.98 2.59 -0.33 5.38 2.02 -0.37 -0.16 117.35 128.46 3irt s TYR 173 Ca 0.29 -0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3irt s TYR 173 Cb -0.16 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 3irt s TYR 173 CO 0.10 0.16 0.11 -2.00 -1.57 0.00 0.00 175.55 172.35 3irt s GLU 174 N -0.91 2.83 -0.21 -0.62 2.12 0.34 -2.19 118.70 120.08 3irt s GLU 174 Ca 0.12 -1.04 -0.06 0.00 0.36 0.00 0.00 54.97 54.35 3irt s GLU 174 Cb -0.10 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 3irt s GLU 174 CO 0.02 -0.58 0.02 -0.51 -0.54 0.00 0.00 175.26 173.66 3irt s LEU 175 N 1.46 3.37 -0.12 2.70 1.02 0.31 -1.11 118.68 126.31 3irt s LEU 175 Ca 0.00 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 53.95 3irt s LEU 175 Cb -0.19 -1.86 0.05 0.00 0.02 0.00 0.00 46.19 44.21 3irt s LEU 175 CO 0.03 0.06 0.08 -0.62 0.02 0.00 0.00 176.35 175.92 3irt s ASP 176 N 1.04 1.86 0.00 2.29 3.68 -1.26 -1.01 116.67 123.27 3irt s ASP 176 Ca 0.03 -0.34 0.04 0.00 2.13 0.00 0.00 52.55 54.41 3irt s ASP 176 Cb -0.14 -0.19 0.20 0.00 -1.45 0.00 0.00 42.92 41.34 3irt s ASP 176 CO 0.02 -0.31 1.06 0.61 0.13 0.00 0.00 175.17 176.68 3irt n GLY 177 N 5.29 -0.55 0.12 2.66 0.00 -1.26 -0.61 105.19 110.85 3irt n GLY 177 Ca -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3irt n GLY 177 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3irt h ARG 178 N 0.00 0.00 -6.68 1.61 2.47 -1.90 0.22 114.38 110.09 3irt h ARG 178 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 3irt h ARG 178 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3irt h ARG 178 CO 0.00 0.34 -0.01 -1.64 0.56 0.00 0.00 179.97 179.22 3irt s MET 179 N -3.00 3.67 0.44 0.04 -1.94 0.23 -4.98 119.30 113.76 3irt s MET 179 Ca 0.01 0.20 0.21 0.00 -1.71 0.00 0.00 55.69 54.40 3irt s MET 179 Cb 0.08 -2.51 1.03 0.00 2.01 0.00 0.00 34.83 35.44 3irt s MET 179 CO 0.77 0.06 1.91 -1.35 -0.01 0.00 0.00 175.02 176.41 3irt h PRO 180 N 1.30 0.00 -3.86 2.03 0.11 -1.88 -3.46 132.00 126.24 3irt h PRO 180 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3irt h PRO 180 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 3irt h PRO 180 CO 0.64 0.25 -0.34 -0.06 -0.21 0.00 0.00 178.00 178.28 3irt s PHE 181 N -4.04 0.30 0.76 0.65 0.40 -1.26 -5.05 117.98 109.73 3irt s PHE 181 Ca -0.02 -0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 55.51 3irt s PHE 181 Cb 0.13 -0.06 0.05 0.00 0.51 0.00 0.00 43.02 43.65 3irt s PHE 181 CO 0.65 -0.65 1.09 -2.14 0.70 0.00 0.00 175.22 174.88 3irt s PRO 182 N -3.92 2.33 -0.13 0.24 0.02 -1.26 -4.71 135.00 127.57 3irt s PRO 182 Ca 0.12 1.21 0.02 0.00 0.02 0.00 0.00 61.00 62.36 3irt s PRO 182 Cb 0.04 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.65 3irt s PRO 182 CO -0.04 -1.59 -0.18 0.08 -0.33 0.00 0.00 177.00 174.94 3irt s VAL 183 N -2.81 2.52 -0.28 3.83 1.01 -0.27 -4.89 120.40 119.51 3irt s VAL 183 Ca 0.62 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 3irt s VAL 183 Cb -0.18 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3irt s VAL 183 CO 0.54 0.54 0.56 0.21 0.00 0.00 0.00 175.10 176.95 3irt s ASN 184 N 0.53 6.46 -0.50 3.32 3.84 -1.26 -0.50 114.94 126.83 3irt s ASN 184 Ca -0.11 0.45 0.02 0.00 0.21 0.00 0.00 52.86 53.43 3irt s ASN 184 Cb -0.16 -2.30 0.51 0.00 -0.55 0.00 0.00 41.25 38.74 3irt s ASN 184 CO 0.04 -0.38 1.78 1.41 -2.79 0.00 0.00 177.10 177.17 3irt n HIS 185 N 5.69 2.80 -2.42 0.43 8.25 0.77 -5.02 115.22 125.72 3irt n HIS 185 Ca -0.03 -2.43 0.03 0.00 -0.26 0.00 0.00 57.72 55.03 3irt n HIS 185 Cb 0.49 -1.02 -0.01 0.00 1.12 0.00 0.00 29.99 30.58 3irt n HIS 185 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3irt n GLY 186 N -0.97 -1.97 3.75 -1.41 0.00 -1.26 -4.61 105.19 98.73 3irt n GLY 186 Ca 0.55 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3irt n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irt s ALA 187 N -1.31 2.54 0.06 4.61 0.00 -1.26 -1.37 121.76 125.04 3irt s ALA 187 Ca 0.00 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 3irt s ALA 187 Cb 0.00 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.73 3irt s ALA 187 CO 0.00 -1.20 0.69 0.45 0.00 0.00 0.00 175.76 175.70 3irt s SER 188 N -1.55 -0.55 0.05 0.00 0.15 -1.00 -4.68 113.70 106.13 3irt s SER 188 Ca 0.78 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 3irt s SER 188 Cb -0.31 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 3irt s SER 188 CO 0.34 -0.78 0.22 -0.44 1.20 0.00 0.00 173.24 173.78 3irt s SER 189 N -2.21 6.38 0.00 5.45 0.01 -1.26 -4.34 113.70 117.72 3irt s SER 189 Ca -0.02 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.56 3irt s SER 189 Cb -0.01 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.24 3irt s SER 189 CO -0.06 0.18 0.72 -0.62 0.41 0.00 0.00 173.24 173.87 3irt n GLU 190 N 0.40 0.79 0.00 12.44 4.71 -1.26 -2.47 120.64 135.26 3irt n GLU 190 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 3irt n GLU 190 Cb 0.51 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.78 3irt n GLU 190 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3irt n ASP 191 N 0.51 0.00 -1.47 1.62 5.68 -1.26 -4.74 116.55 116.88 3irt n ASP 191 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 3irt n ASP 191 Cb 0.36 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.67 3irt n ASP 191 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3irt n THR 192 N -0.38 1.56 -0.04 2.12 -2.24 -1.08 -4.58 114.28 109.64 3irt n THR 192 Ca 0.00 -1.06 -0.08 0.00 -2.27 0.00 0.00 64.05 60.63 3irt n THR 192 Cb 0.00 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3irt n THR 192 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3irt h LEU 193 N 3.86 -0.78 -0.55 3.22 6.46 -1.78 0.42 115.31 126.17 3irt h LEU 193 Ca 0.00 0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 3irt h LEU 193 Cb 1.29 0.36 -0.04 0.00 -0.73 0.00 0.00 40.66 41.54 3irt h LEU 193 CO 0.18 -0.28 0.30 0.25 -0.62 0.00 0.00 178.44 178.28 3irt h LEU 194 N -0.26 0.46 0.17 2.25 5.85 -1.84 0.11 115.31 122.05 3irt h LEU 194 Ca 0.13 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3irt h LEU 194 Cb 0.46 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3irt h LEU 194 CO -0.38 0.32 -0.08 0.50 -0.34 0.00 0.00 178.44 178.46 3irt h LYS 195 N 0.59 -0.22 -0.76 1.25 3.64 -1.75 -0.05 116.57 119.28 3irt h LYS 195 Ca 0.24 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3irt h LYS 195 Cb 0.10 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3irt h LYS 195 CO -0.14 0.04 0.49 -0.44 -2.27 0.00 0.00 179.45 177.13 3irt h ASP 196 N -0.46 0.84 0.10 4.20 3.45 -0.71 -1.76 116.42 122.08 3irt h ASP 196 Ca -0.02 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 3irt h ASP 196 Cb 0.35 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3irt h ASP 196 CO 0.04 0.60 -0.05 0.00 -1.57 0.00 0.00 179.24 178.26 3irt h ALA 197 N 1.29 -0.14 -0.92 3.45 0.00 -0.75 -2.97 119.26 119.23 3irt h ALA 197 Ca 0.29 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.22 3irt h ALA 197 Cb -0.07 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 3irt h ALA 197 CO -0.08 -0.45 0.59 0.00 0.00 0.00 0.00 179.25 179.31 3irt h ALA 198 N 0.47 1.89 -0.73 0.00 0.00 -0.76 -0.27 119.26 119.86 3irt h ALA 198 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3irt h ALA 198 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3irt h ALA 198 CO 0.02 -0.17 0.29 -0.22 0.00 0.00 0.00 179.25 179.17 3irt h LYS 199 N 0.64 1.10 -0.19 0.00 3.64 -1.17 -1.46 116.57 119.13 3irt h LYS 199 Ca 0.48 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 3irt h LYS 199 Cb 0.86 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3irt h LYS 199 CO -0.23 0.90 -0.44 0.28 -2.27 0.00 0.00 179.45 177.70 3irt h VAL 200 N 1.06 1.31 -0.72 2.00 2.07 -0.94 -2.15 116.25 118.87 3irt h VAL 200 Ca 0.24 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 3irt h VAL 200 Cb 0.22 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3irt h VAL 200 CO -0.02 0.50 0.32 0.00 0.02 0.00 0.00 177.57 178.39 3irt h ARG 202 N 1.04 0.21 -0.81 0.00 3.08 -0.96 0.36 114.38 117.30 3irt h ARG 202 Ca 0.25 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.31 3irt h ARG 202 Cb 0.15 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 3irt h ARG 202 CO -0.03 0.37 0.48 0.93 -1.07 0.00 0.00 179.97 180.65 3irt h GLU 203 N 0.02 0.84 0.77 0.04 5.08 -1.16 0.44 114.58 120.62 3irt h GLU 203 Ca 0.04 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3irt h GLU 203 Cb 0.25 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3irt h GLU 203 CO -0.00 0.56 -0.37 0.35 -1.00 0.00 0.00 179.01 178.55 3irt h PHE 204 N 0.87 -0.95 -0.11 4.33 3.57 -0.43 -3.30 116.94 120.92 3irt h PHE 204 Ca 0.36 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.87 3irt h PHE 204 Cb 0.21 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 3irt h PHE 204 CO -0.05 -0.59 -0.08 1.79 -2.23 0.00 0.00 178.31 177.15 3irt h THR 205 N -1.10 0.77 0.00 4.41 1.35 -0.14 -2.95 112.91 115.25 3irt h THR 205 Ca -0.11 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.36 3irt h THR 205 Cb 0.79 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3irt h THR 205 CO 0.17 0.00 1.53 -0.62 -0.25 0.00 0.00 175.52 176.35 3irt n GLU 206 N -5.21 2.70 0.00 4.72 1.02 0.13 -2.44 120.64 121.56 3irt n GLU 206 Ca -0.04 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 3irt n GLU 206 Cb 0.14 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 3irt n GLU 206 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3irt n ARG 207 N 3.02 1.78 -3.23 3.49 0.00 -1.11 -4.81 116.66 115.80 3irt n ARG 207 Ca 0.58 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 58.13 3irt n ARG 207 Cb 0.59 -0.51 -0.06 0.00 0.00 0.00 0.00 32.46 32.48 3irt n ARG 207 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3irt n GLU 208 N -0.39 3.04 -0.16 -0.14 2.13 -1.02 -4.99 120.64 119.11 3irt n GLU 208 Ca 0.00 -4.71 0.00 0.00 0.66 0.00 0.00 57.16 53.11 3irt n GLU 208 Cb 0.01 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.43 3irt n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3irt n GLN 209 N 0.61 0.49 0.00 5.31 10.64 -1.26 -2.63 117.38 130.55 3irt n GLN 209 Ca 0.30 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 3irt n GLN 209 Cb 0.39 -1.25 -0.00 0.00 -0.86 0.00 0.00 30.24 28.52 3irt n GLN 209 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3irt n GLY 210 N 1.42 0.31 3.72 2.61 0.00 -1.26 -5.06 105.19 106.92 3irt n GLY 210 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3irt n GLY 210 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3irt s GLU 211 N -0.73 4.53 -0.00 1.61 2.56 -1.08 -4.91 118.70 120.68 3irt s GLU 211 Ca 0.00 1.25 0.04 0.00 0.00 0.00 0.00 54.97 56.25 3irt s GLU 211 Cb 0.00 -3.44 -0.05 0.00 2.00 0.00 0.00 34.13 32.64 3irt s GLU 211 CO 0.00 0.03 0.10 1.33 -0.56 0.00 0.00 175.26 176.16 3irt n VAL 212 N 3.70 0.00 -2.74 3.70 0.24 -1.26 -4.89 118.33 117.09 3irt n VAL 212 Ca 0.03 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 3irt n VAL 212 Cb 0.51 0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 3irt n VAL 212 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3irt s ARG 213 N -1.97 3.42 -0.07 7.34 0.52 -1.26 -4.95 118.95 121.97 3irt s ARG 213 Ca -0.01 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 53.81 3irt s ARG 213 Cb 0.02 -4.78 0.10 0.00 0.52 0.00 0.00 34.95 30.82 3irt s ARG 213 CO 0.15 -1.98 0.82 -0.59 0.02 0.00 0.00 175.30 173.72 3irt s PHE 214 N 4.21 -0.50 0.24 -0.53 -0.12 -1.26 -4.22 117.98 115.80 3irt s PHE 214 Ca 0.35 0.76 -0.16 0.00 -0.05 0.00 0.00 56.93 57.83 3irt s PHE 214 Cb -0.07 0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.79 3irt s PHE 214 CO -0.01 -0.52 0.55 -1.54 -0.05 0.00 0.00 175.22 173.65 3irt s SER 215 N -1.44 -0.19 -0.02 1.98 1.04 -0.81 -5.02 113.70 109.24 3irt s SER 215 Ca -0.05 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 3irt s SER 215 Cb -0.00 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.75 3irt s SER 215 CO 0.03 -1.16 0.23 0.00 0.98 0.00 0.00 173.24 173.32 3irt s ALA 216 N -3.94 -0.58 0.05 5.32 0.00 -1.26 -0.46 121.76 120.89 3irt s ALA 216 Ca 0.15 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 3irt s ALA 216 Cb -0.02 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3irt s ALA 216 CO 0.04 -0.22 -0.01 0.14 0.00 0.00 0.00 175.76 175.71 3irt s VAL 217 N -1.18 0.20 0.20 0.00 -7.23 -0.82 -1.42 120.40 110.15 3irt s VAL 217 Ca -0.12 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 58.44 3irt s VAL 217 Cb -0.06 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 3irt s VAL 217 CO 0.03 -0.92 -0.13 0.00 -0.31 0.00 0.00 175.10 173.76 3irt s ALA 218 N -3.69 1.97 -0.25 1.32 0.00 0.06 -1.13 121.76 120.05 3irt s ALA 218 Ca 0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 3irt s ALA 218 Cb 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3irt s ALA 218 CO -0.09 0.04 -0.05 -1.17 0.00 0.00 0.00 175.76 174.49 3irt s LEU 219 N -3.31 3.21 0.11 0.00 2.96 -0.22 -0.71 118.68 120.73 3irt s LEU 219 Ca 0.22 -0.80 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 3irt s LEU 219 Cb -0.00 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 45.02 3irt s LEU 219 CO 0.06 -0.12 0.34 0.00 -1.32 0.00 0.00 176.35 175.31 3irt s LYS 221 N -3.71 4.01 -0.31 0.00 1.02 -1.20 -1.56 119.74 117.99 3irt s LYS 221 Ca 0.03 2.31 -0.35 0.00 0.02 0.00 0.00 55.97 57.97 3irt s LYS 221 Cb 0.02 -4.11 -0.12 0.00 -0.52 0.00 0.00 37.83 33.10 3irt s LYS 221 CO -0.11 -1.07 2.11 0.00 -0.92 0.00 0.00 175.35 175.36 3irt n ALA 222 N 7.93 0.94 -1.61 5.17 0.00 -0.54 -4.72 120.51 127.68 3irt n ALA 222 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3irt n ALA 222 Cb 0.42 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.36 3irt n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50