#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fye s GLU 31 N 0.00 4.47 -0.41 3.23 2.12 -1.26 -4.76 118.70 122.10 3fye s GLU 31 Ca 0.00 1.85 -0.28 0.00 0.36 0.00 0.00 54.97 56.90 3fye s GLU 31 Cb 0.00 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.15 3fye s GLU 31 CO 0.00 -0.14 1.07 0.42 -0.54 0.00 0.00 175.26 176.07 3fye s ILE 32 N 0.25 4.39 -0.06 -3.70 1.01 -1.26 -0.74 121.20 121.08 3fye s ILE 32 Ca 0.55 1.35 -0.04 0.00 0.00 0.00 0.00 60.65 62.51 3fye s ILE 32 Cb -0.32 -4.48 -0.03 0.00 0.01 0.00 0.00 42.46 37.63 3fye s ILE 32 CO 0.34 -0.74 -0.10 -0.38 0.00 0.00 0.00 174.94 174.06 3fye n ILE 33 N 6.34 0.57 -2.72 2.92 5.41 -0.56 -4.86 119.36 126.48 3fye n ILE 33 Ca 0.11 -0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.38 3fye n ILE 33 Cb 0.48 -1.64 -0.00 0.00 -0.71 0.00 0.00 39.64 37.77 3fye n ILE 33 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3fye s GLY 34 N -5.01 1.88 0.01 7.39 0.00 -0.80 -4.49 107.32 106.31 3fye s GLY 34 Ca -0.11 -3.01 -0.20 0.00 0.00 0.00 0.00 44.72 41.40 3fye s GLY 34 CO 0.14 2.47 0.44 1.09 0.00 0.00 0.00 173.10 177.24 3fye s ARG 35 N 3.32 0.88 0.65 2.90 3.03 -1.26 -0.58 118.95 127.90 3fye s ARG 35 Ca 0.49 -0.18 -0.16 0.00 2.03 0.00 0.00 55.73 57.91 3fye s ARG 35 Cb 0.01 0.40 -0.00 0.00 -1.03 0.00 0.00 34.95 34.33 3fye s ARG 35 CO 0.03 -0.28 1.14 -1.25 -1.13 0.00 0.00 175.30 173.81 3fye s PRO 36 N -1.86 2.75 0.07 3.89 0.04 -1.26 -4.78 135.00 133.85 3fye s PRO 36 Ca -0.09 1.52 0.10 0.00 0.04 0.00 0.00 61.00 62.57 3fye s PRO 36 Cb -0.02 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 3fye s PRO 36 CO 0.02 -1.31 -0.26 -0.65 0.04 0.00 0.00 177.00 174.84 3fye s GLN 37 N -3.90 1.70 0.13 4.56 -0.21 -1.26 -5.09 119.66 115.60 3fye s GLN 37 Ca 0.70 -1.18 -0.35 0.00 0.02 0.00 0.00 55.36 54.55 3fye s GLN 37 Cb -0.23 -1.97 -0.16 0.00 1.00 0.00 0.00 33.01 31.65 3fye s GLN 37 CO 0.40 0.49 1.37 -2.30 -2.12 0.00 0.00 175.29 173.13 3fye n PRO 38 N 1.48 1.46 -1.15 2.91 -0.02 -1.26 -1.10 135.00 137.31 3fye n PRO 38 Ca -0.17 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 3fye n PRO 38 Cb 0.52 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 3fye n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fye n GLY 39 N 2.61 0.63 3.76 -1.23 0.00 -1.26 -4.95 105.19 104.74 3fye n GLY 39 Ca 0.17 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3fye n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fye n GLY 40 N -0.43 1.11 0.00 -0.02 0.00 -0.26 -4.91 105.19 100.68 3fye n GLY 40 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3fye n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fye n THR 41 N 0.72 0.00 -3.54 2.61 -2.24 -1.26 -5.02 114.28 105.55 3fye n THR 41 Ca 0.03 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 3fye n THR 41 Cb 0.38 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.47 3fye n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fye n GLY 42 N 1.23 2.62 3.72 3.38 0.00 -1.26 -5.12 105.19 109.75 3fye n GLY 42 Ca 0.00 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 3fye n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fye s PHE 43 N -1.50 2.03 0.72 1.61 0.08 -1.26 -5.02 117.98 114.64 3fye s PHE 43 Ca 0.24 1.61 -0.15 0.00 0.12 0.00 0.00 56.93 58.75 3fye s PHE 43 Cb -0.02 -3.45 0.03 0.00 -0.57 0.00 0.00 43.02 39.01 3fye s PHE 43 CO 0.15 -2.61 1.18 -0.65 -0.10 0.00 0.00 175.22 173.19 3fye s GLN 44 N -3.99 2.24 0.51 0.44 -0.21 -1.26 -4.94 119.66 112.45 3fye s GLN 44 Ca 0.73 1.66 -0.22 0.00 0.02 0.00 0.00 55.36 57.56 3fye s GLN 44 Cb -0.28 -1.86 -0.07 0.00 1.00 0.00 0.00 33.01 31.80 3fye s GLN 44 CO 0.46 -1.74 1.08 -2.30 -2.12 0.00 0.00 175.29 170.68 3fye n PRO 45 N -2.72 1.31 -2.63 2.91 -0.02 -1.26 -4.82 135.00 127.77 3fye n PRO 45 Ca 0.13 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.68 3fye n PRO 45 Cb 0.51 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 3fye n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fye s SER 46 N -0.93 7.48 -0.01 2.55 0.15 -1.26 -4.32 113.70 117.36 3fye s SER 46 Ca 0.69 2.07 0.01 0.00 0.70 0.00 0.00 55.95 59.42 3fye s SER 46 Cb -0.47 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.25 3fye s SER 46 CO 0.52 0.01 0.78 0.00 1.20 0.00 0.00 173.24 175.75 3fye n ALA 47 N 1.50 1.55 -2.60 5.45 0.00 -0.42 -4.99 120.51 121.00 3fye n ALA 47 Ca -0.01 -0.89 -0.09 0.00 0.00 0.00 0.00 53.44 52.44 3fye n ALA 47 Cb 0.46 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 3fye n ALA 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fye s SER 48 N -0.68 0.17 0.32 0.00 1.04 -1.24 0.13 113.70 113.43 3fye s SER 48 Ca 0.02 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.86 3fye s SER 48 Cb 0.02 0.28 0.53 0.00 0.10 0.00 0.00 66.02 66.95 3fye s SER 48 CO 0.00 -0.61 1.94 1.55 0.98 0.00 0.00 173.24 177.10 3fye h PRO 49 N 3.23 0.85 -0.53 4.02 0.13 -1.92 -2.32 132.00 135.45 3fye h PRO 49 Ca -0.33 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 3fye h PRO 49 Cb 1.19 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3fye h PRO 49 CO 0.54 0.64 0.23 0.28 -0.23 0.00 0.00 178.00 179.46 3fye h VAL 50 N 0.85 1.21 -0.64 1.56 2.07 -1.91 -1.78 116.25 117.61 3fye h VAL 50 Ca 0.21 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3fye h VAL 50 Cb 0.05 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3fye h VAL 50 CO -0.03 0.24 0.38 0.00 0.02 0.00 0.00 177.57 178.18 3fye h ALA 51 N 1.07 0.81 -0.77 1.67 0.00 -1.60 -1.12 119.26 119.32 3fye h ALA 51 Ca 0.18 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3fye h ALA 51 Cb 0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3fye h ALA 51 CO -0.02 0.30 0.45 1.15 0.00 0.00 0.00 179.25 181.13 3fye h THR 52 N 0.86 0.97 -0.66 0.00 2.02 -1.30 -0.61 112.91 114.19 3fye h THR 52 Ca 0.23 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 3fye h THR 52 Cb -0.01 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3fye h THR 52 CO -0.04 0.15 0.09 1.56 0.37 0.00 0.00 175.52 177.64 3fye h GLN 53 N 0.80 1.11 -0.22 6.66 4.20 -0.61 -0.79 115.11 126.24 3fye h GLN 53 Ca 0.35 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3fye h GLN 53 Cb 0.24 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3fye h GLN 53 CO -0.20 1.02 0.13 0.82 -0.67 0.00 0.00 178.83 179.93 3fye h ILE 54 N 1.03 1.11 -0.60 2.54 2.04 -0.77 -0.49 117.51 122.37 3fye h ILE 54 Ca 0.20 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3fye h ILE 54 Cb 0.47 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3fye h ILE 54 CO 0.02 0.10 0.31 0.45 0.00 0.00 0.00 178.15 179.02 3fye h HIS 55 N 0.26 0.56 -0.02 1.37 3.86 -0.86 0.04 115.15 120.36 3fye h HIS 55 Ca 0.08 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3fye h HIS 55 Cb 0.06 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 3fye h HIS 55 CO -0.04 0.25 0.00 2.35 0.86 0.00 0.00 177.93 181.35 3fye h TRP 56 N 0.57 0.03 -0.31 2.45 7.01 -0.92 -1.38 115.95 123.39 3fye h TRP 56 Ca 0.28 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 3fye h TRP 56 Cb 0.21 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3fye h TRP 56 CO -0.10 0.25 0.20 1.25 -2.79 0.00 0.00 178.44 177.24 3fye h LEU 57 N -0.20 0.37 -1.04 0.65 5.85 -0.81 -1.03 115.31 119.11 3fye h LEU 57 Ca 0.01 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3fye h LEU 57 Cb 0.23 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3fye h LEU 57 CO 0.00 0.30 0.43 -0.78 -0.34 0.00 0.00 178.44 178.05 3fye h ASP 58 N 0.41 0.99 -0.38 1.25 3.58 -1.01 -0.80 116.42 120.46 3fye h ASP 58 Ca 0.11 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 3fye h ASP 58 Cb -0.01 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 3fye h ASP 58 CO -0.02 0.79 -0.13 1.23 -2.88 0.00 0.00 179.24 178.24 3fye h GLY 59 N 1.14 0.90 0.84 -0.78 0.00 -0.78 0.13 103.07 104.51 3fye h GLY 59 Ca 0.28 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3fye h GLY 59 CO -0.05 0.64 -0.03 -2.75 0.00 0.00 0.00 176.54 174.36 3fye h PHE 60 N 0.75 0.48 -0.33 5.60 3.04 -0.96 -2.66 116.94 122.87 3fye h PHE 60 Ca 0.12 -0.09 -0.11 0.00 3.98 0.00 0.00 57.97 61.87 3fye h PHE 60 Cb 0.63 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 3fye h PHE 60 CO 0.03 0.64 -0.25 0.82 -2.02 0.00 0.00 178.31 177.53 3fye h ILE 61 N 0.19 1.27 -0.82 1.41 2.04 -1.02 -3.12 117.51 117.46 3fye h ILE 61 Ca 0.06 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 3fye h ILE 61 Cb 0.46 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3fye h ILE 61 CO 0.02 0.44 0.45 0.25 0.00 0.00 0.00 178.15 179.30 3fye h LEU 62 N 0.57 1.03 -0.20 1.44 5.85 -0.68 0.79 115.31 124.11 3fye h LEU 62 Ca 0.08 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3fye h LEU 62 Cb 0.73 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3fye h LEU 62 CO 0.06 0.83 0.10 0.58 -0.34 0.00 0.00 178.44 179.67 3fye h VAL 63 N 1.15 1.12 -0.11 1.05 2.07 -1.43 -0.26 116.25 119.84 3fye h VAL 63 Ca 0.29 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3fye h VAL 63 Cb 0.03 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3fye h VAL 63 CO -0.05 0.11 0.07 0.40 0.02 0.00 0.00 177.57 178.12 3fye h ILE 64 N 0.21 1.06 0.00 4.57 2.04 -1.41 -1.39 117.51 122.59 3fye h ILE 64 Ca 0.07 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3fye h ILE 64 Cb 0.08 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3fye h ILE 64 CO -0.01 0.05 -0.39 0.16 0.00 0.00 0.00 178.15 177.96 3fye h ILE 65 N 0.12 0.77 -0.36 -0.67 3.07 -0.83 -1.16 117.51 118.44 3fye h ILE 65 Ca 0.04 -1.76 -0.07 0.00 1.55 0.00 0.00 64.86 64.62 3fye h ILE 65 Cb 0.02 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 38.70 3fye h ILE 65 CO -0.01 0.38 -0.05 0.00 -1.05 0.00 0.00 178.15 177.43 3fye h ALA 66 N 1.61 0.49 -0.11 0.16 0.00 -0.96 -1.67 119.26 118.78 3fye h ALA 66 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3fye h ALA 66 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3fye h ALA 66 CO 0.05 0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.66 3fye h ALA 67 N 0.84 0.15 -0.45 0.00 0.00 -0.97 0.11 119.26 118.94 3fye h ALA 67 Ca 0.10 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3fye h ALA 67 Cb 0.53 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3fye h ALA 67 CO 0.03 -0.30 0.04 0.82 0.00 0.00 0.00 179.25 179.84 3fye h ILE 68 N 0.06 0.70 -0.43 0.00 2.04 -1.24 0.11 117.51 118.75 3fye h ILE 68 Ca 0.04 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 3fye h ILE 68 Cb 0.11 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3fye h ILE 68 CO -0.01 0.03 -0.19 0.74 0.00 0.00 0.00 178.15 178.72 3fye h THR 69 N 0.16 1.27 -0.21 -0.27 2.02 -1.05 -0.34 112.91 114.48 3fye h THR 69 Ca 0.22 -1.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 3fye h THR 69 Cb 0.31 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3fye h THR 69 CO -0.34 0.44 -0.07 0.40 0.37 0.00 0.00 175.52 176.33 3fye h ILE 70 N 0.74 1.29 0.06 3.11 2.04 -0.80 -2.16 117.51 121.79 3fye h ILE 70 Ca 0.11 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.92 3fye h ILE 70 Cb 0.71 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 3fye h ILE 70 CO 0.05 0.33 -0.31 0.15 0.00 0.00 0.00 178.15 178.38 3fye h PHE 71 N 0.14 -0.83 -0.55 1.37 -0.00 -0.53 -0.31 116.94 116.23 3fye h PHE 71 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.05 3fye h PHE 71 Cb 0.53 0.36 -0.03 0.00 -0.00 0.00 0.00 35.95 36.81 3fye h PHE 71 CO 0.05 -0.41 0.35 0.28 -0.00 0.00 0.00 178.31 178.58 3fye h VAL 72 N -0.49 1.15 -0.40 1.41 2.07 -1.11 -1.05 116.25 117.83 3fye h VAL 72 Ca 0.04 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3fye h VAL 72 Cb 0.55 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3fye h VAL 72 CO -0.22 0.15 0.16 0.74 0.02 0.00 0.00 177.57 178.43 3fye h THR 73 N 0.74 1.19 -0.52 2.57 2.02 -1.18 -1.30 112.91 116.42 3fye h THR 73 Ca 0.20 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3fye h THR 73 Cb -0.05 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3fye h THR 73 CO -0.04 0.22 0.22 -0.07 0.37 0.00 0.00 175.52 176.22 3fye h LEU 74 N 0.49 0.71 -0.31 2.58 3.38 -0.86 -1.30 115.31 120.00 3fye h LEU 74 Ca 0.13 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3fye h LEU 74 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3fye h LEU 74 CO -0.01 0.67 0.10 -0.07 0.09 0.00 0.00 178.44 179.23 3fye h LEU 75 N 0.70 0.10 -0.05 1.67 3.38 -0.98 0.11 115.31 120.25 3fye h LEU 75 Ca 0.18 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3fye h LEU 75 Cb 0.18 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3fye h LEU 75 CO -0.02 0.09 0.03 0.40 0.09 0.00 0.00 178.44 179.04 3fye h ILE 76 N 0.23 1.05 -0.37 1.22 2.04 -1.12 0.83 117.51 121.39 3fye h ILE 76 Ca 0.14 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 3fye h ILE 76 Cb 0.12 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3fye h ILE 76 CO -0.15 0.04 -0.22 -0.07 0.00 0.00 0.00 178.15 177.75 3fye h LEU 77 N 0.03 0.74 0.14 1.44 3.38 -1.08 -1.49 115.31 118.47 3fye h LEU 77 Ca 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3fye h LEU 77 Cb 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3fye h LEU 77 CO -0.00 0.94 -0.07 0.22 0.09 0.00 0.00 178.44 179.62 3fye h TYR 78 N 0.64 -0.17 -0.98 1.13 5.03 -0.67 -1.78 116.97 120.17 3fye h TYR 78 Ca 0.09 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.52 3fye h TYR 78 Cb 0.71 0.06 -0.08 0.00 1.55 0.00 0.00 36.73 38.97 3fye h TYR 78 CO 0.03 0.08 0.62 0.00 -1.32 0.00 0.00 178.16 177.58 3fye h ALA 79 N 0.41 1.58 -0.44 1.82 0.00 -0.72 0.26 119.26 122.17 3fye h ALA 79 Ca -0.02 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3fye h ALA 79 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fye h ALA 79 CO 0.03 0.18 -0.18 0.28 0.00 0.00 0.00 179.25 179.56 3fye h VAL 80 N 0.94 1.27 0.23 0.00 2.07 -1.23 -1.58 116.25 117.96 3fye h VAL 80 Ca 0.49 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3fye h VAL 80 Cb 0.52 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3fye h VAL 80 CO -0.25 0.44 -0.11 -0.25 0.02 0.00 0.00 177.57 177.42 3fye h TRP 81 N 0.75 -0.28 -0.45 1.57 7.01 -0.20 -2.76 115.95 121.58 3fye h TRP 81 Ca 0.11 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 3fye h TRP 81 Cb 0.71 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 3fye h TRP 81 CO 0.04 0.08 0.12 -0.09 -2.79 0.00 0.00 178.44 175.80 3fye h ARG 82 N -0.92 0.72 -0.48 2.65 9.65 -0.64 -3.21 114.38 122.16 3fye h ARG 82 Ca -0.03 -0.17 -0.10 0.00 -1.10 0.00 0.00 59.98 58.58 3fye h ARG 82 Cb 0.49 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.92 3fye h ARG 82 CO 0.05 0.71 0.09 1.19 2.80 0.00 0.00 179.97 184.81 3fye n PHE 83 N -4.52 1.65 -1.85 2.20 3.72 -0.59 -4.36 117.46 113.70 3fye n PHE 83 Ca 0.01 -1.08 -0.37 0.00 -0.05 0.00 0.00 57.45 55.96 3fye n PHE 83 Cb 0.21 -0.50 0.05 0.00 -0.94 0.00 0.00 39.48 38.30 3fye n PHE 83 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3fye s HIS 84 N -2.95 2.24 0.36 1.38 5.65 -1.04 -4.67 115.29 116.26 3fye s HIS 84 Ca 0.49 1.47 0.06 0.00 0.25 0.00 0.00 55.06 57.33 3fye s HIS 84 Cb 0.40 -3.64 0.75 0.00 -1.18 0.00 0.00 32.58 28.90 3fye s HIS 84 CO 0.10 -2.66 1.93 1.05 -0.65 0.00 0.00 174.74 174.51 3fye h GLU 85 N 0.88 0.74 -0.06 2.88 4.11 -1.90 0.42 114.58 121.64 3fye h GLU 85 Ca -0.51 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 58.81 3fye h GLU 85 Cb 1.32 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3fye h GLU 85 CO 0.55 0.49 -0.27 0.87 0.07 0.00 0.00 179.01 180.72 3fye h LYS 86 N 0.76 0.11 0.00 1.06 1.57 -1.97 -3.25 116.57 114.84 3fye h LYS 86 Ca 0.35 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.77 3fye h LYS 86 Cb 0.38 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 3fye h LYS 86 CO -0.13 0.37 -2.11 -2.13 -0.57 0.00 0.00 179.45 174.88 3fye n ARG 87 N -4.18 0.67 -3.69 3.15 0.63 -0.37 -4.81 116.66 108.04 3fye n ARG 87 Ca -0.02 0.10 -0.29 0.00 -0.92 0.00 0.00 57.85 56.73 3fye n ARG 87 Cb 0.34 -1.62 -0.16 0.00 0.45 0.00 0.00 32.46 31.47 3fye n ARG 87 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3fye s ASN 88 N -5.68 3.36 0.11 6.15 2.47 0.13 -4.96 114.94 116.52 3fye s ASN 88 Ca -0.08 -1.16 0.22 0.00 0.42 0.00 0.00 52.86 52.26 3fye s ASN 88 Cb 0.07 -0.62 -0.13 0.00 -1.45 0.00 0.00 41.25 39.12 3fye s ASN 88 CO 0.83 -0.37 0.82 0.29 -3.72 0.00 0.00 177.10 174.95 3fye n LYS 89 N 5.04 0.63 -3.95 0.43 5.02 -1.24 -4.07 118.16 120.00 3fye n LYS 89 Ca -0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 3fye n LYS 89 Cb 0.45 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 3fye n LYS 89 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fye s VAL 90 N -3.42 2.68 0.32 -0.18 1.01 -1.26 -5.09 120.40 114.46 3fye s VAL 90 Ca -0.03 -1.71 -0.28 0.00 0.00 0.00 0.00 61.98 59.95 3fye s VAL 90 Cb 0.11 -2.67 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 3fye s VAL 90 CO 0.84 -0.25 1.20 -2.16 0.00 0.00 0.00 175.10 174.73 3fye s PRO 91 N 1.14 4.41 1.12 2.72 0.04 -1.26 -5.05 135.00 138.11 3fye s PRO 91 Ca -0.02 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 3fye s PRO 91 Cb -0.20 -3.05 0.25 0.00 0.04 0.00 0.00 34.50 31.54 3fye s PRO 91 CO -0.04 -0.06 1.12 0.00 0.04 0.00 0.00 177.00 178.06 3fye s ALA 92 N -1.20 0.85 0.00 8.56 0.00 -1.26 -5.03 121.76 123.69 3fye s ALA 92 Ca 0.49 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3fye s ALA 92 Cb -0.35 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3fye s ALA 92 CO 0.46 -3.25 0.42 0.54 0.00 0.00 0.00 175.76 173.93 3fye n ARG 93 N -4.49 -0.06 -1.89 0.00 1.74 -1.26 -5.08 116.66 105.62 3fye n ARG 93 Ca 0.11 -0.49 -0.38 0.00 -0.77 0.00 0.00 57.85 56.31 3fye n ARG 93 Cb 0.59 -0.81 0.02 0.00 -1.02 0.00 0.00 32.46 31.25 3fye n ARG 93 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3fye s PHE 94 N -0.14 2.46 0.00 -1.55 -0.12 -1.26 -4.93 117.98 112.44 3fye s PHE 94 Ca 0.00 1.38 0.00 0.00 -0.05 0.00 0.00 56.93 58.26 3fye s PHE 94 Cb 0.00 -3.74 0.00 0.00 -0.63 0.00 0.00 43.02 38.65 3fye s PHE 94 CO 0.00 -2.60 0.54 0.25 -0.05 0.00 0.00 175.22 173.36 3fye n THR 95 N -0.69 0.23 -4.08 -4.49 -2.24 -1.26 -5.09 114.28 96.66 3fye n THR 95 Ca 0.08 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.54 3fye n THR 95 Cb 0.45 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 3fye n THR 95 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fye s HIS 96 N -0.23 0.50 -0.35 4.78 3.76 -1.26 -5.11 115.29 117.38 3fye s HIS 96 Ca 0.00 -1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 53.82 3fye s HIS 96 Cb 0.00 -0.37 0.19 0.00 1.11 0.00 0.00 32.58 33.51 3fye s HIS 96 CO 0.00 -0.39 0.96 1.21 -0.85 0.00 0.00 174.74 175.68 3fye s ASN 97 N -2.90 -0.60 0.16 1.40 3.84 -1.26 -5.09 114.94 110.48 3fye s ASN 97 Ca 0.07 -0.40 -0.17 0.00 0.21 0.00 0.00 52.86 52.57 3fye s ASN 97 Cb 0.08 0.77 0.07 0.00 -0.55 0.00 0.00 41.25 41.62 3fye s ASN 97 CO -0.10 -0.06 1.71 0.28 -2.79 0.00 0.00 177.10 176.15 3fye h SER 98 N 5.45 -0.10 -0.74 -4.21 0.02 -1.99 -0.18 113.55 111.80 3fye h SER 98 Ca -0.01 0.07 0.16 0.00 -0.84 0.00 0.00 61.79 61.17 3fye h SER 98 Cb 1.21 0.12 -0.11 0.00 0.14 0.00 0.00 62.40 63.76 3fye h SER 98 CO -0.04 -0.01 0.19 -0.65 -1.14 0.00 0.00 176.83 175.17 3fye h PRO 99 N 0.12 0.27 -0.08 3.45 0.11 -1.99 -0.39 132.00 133.49 3fye h PRO 99 Ca 0.17 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.07 3fye h PRO 99 Cb 0.22 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.28 3fye h PRO 99 CO -0.26 0.18 -0.69 1.25 -0.21 0.00 0.00 178.00 178.27 3fye h LEU 100 N 0.28 0.75 -1.36 2.35 5.85 -1.84 -2.53 115.31 118.80 3fye h LEU 100 Ca 0.42 -0.68 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3fye h LEU 100 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3fye h LEU 100 CO -0.51 1.31 0.05 -0.33 -0.34 0.00 0.00 178.44 178.63 3fye h GLU 101 N 0.25 0.48 0.09 1.25 5.08 -0.81 0.05 114.58 120.96 3fye h GLU 101 Ca -0.06 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3fye h GLU 101 Cb 1.35 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3fye h GLU 101 CO 0.14 0.47 -0.04 0.82 -1.00 0.00 0.00 179.01 179.40 3fye h ILE 102 N 0.47 1.15 -0.23 3.13 1.08 -1.08 -3.05 117.51 118.97 3fye h ILE 102 Ca 0.11 -0.92 0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3fye h ILE 102 Cb 0.23 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 3fye h ILE 102 CO 0.00 0.22 0.13 0.00 -0.69 0.00 0.00 178.15 177.81 3fye h ALA 103 N 0.31 0.28 0.00 1.87 0.00 -1.22 -1.73 119.26 118.77 3fye h ALA 103 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fye h ALA 103 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fye h ALA 103 CO 0.02 -0.27 0.00 -2.67 0.00 0.00 0.00 179.25 176.33 3fye n TRP 104 N -4.97 0.00 -0.12 0.00 2.14 -0.02 -0.86 117.44 113.61 3fye n TRP 104 Ca -0.02 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.38 3fye n TRP 104 Cb 0.05 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.43 3fye n TRP 104 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3fye n THR 105 N -0.93 1.43 -0.02 -1.67 -1.04 -0.95 -4.48 114.28 106.62 3fye n THR 105 Ca 0.16 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.05 61.45 3fye n THR 105 Cb 0.07 -1.34 -0.10 0.00 -1.82 0.00 0.00 70.33 67.14 3fye n THR 105 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3fye h ILE 106 N 0.00 1.46 0.02 12.58 2.04 -0.91 -3.11 117.51 129.59 3fye h ILE 106 Ca -0.56 -1.88 0.03 0.00 1.00 0.00 0.00 64.86 63.45 3fye h ILE 106 Cb 1.88 2.52 -0.05 0.00 -0.74 0.00 0.00 36.82 40.44 3fye h ILE 106 CO -0.08 0.54 -0.29 0.58 0.00 0.00 0.00 178.15 178.89 3fye h VAL 107 N -0.23 0.35 -0.62 1.67 2.07 -1.26 0.12 116.25 118.35 3fye h VAL 107 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 3fye h VAL 107 Cb 1.07 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 3fye h VAL 107 CO 0.08 0.00 0.14 -0.65 0.02 0.00 0.00 177.57 177.16 3fye h PRO 108 N -0.45 0.27 -0.76 1.57 0.11 -1.79 -0.63 132.00 130.31 3fye h PRO 108 Ca 0.06 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.20 3fye h PRO 108 Cb 0.53 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.53 3fye h PRO 108 CO -0.24 0.18 0.47 0.82 -0.21 0.00 0.00 178.00 179.02 3fye h ILE 109 N 0.28 1.05 -0.50 4.15 2.04 -1.26 -1.99 117.51 121.27 3fye h ILE 109 Ca 0.33 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 3fye h ILE 109 Cb 0.49 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3fye h ILE 109 CO -0.41 0.16 -0.10 0.58 0.00 0.00 0.00 178.15 178.39 3fye h VAL 110 N 0.87 1.27 -0.59 1.67 2.07 -0.07 -1.62 116.25 119.86 3fye h VAL 110 Ca 0.32 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3fye h VAL 110 Cb 0.11 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3fye h VAL 110 CO -0.15 0.43 0.33 0.40 0.02 0.00 0.00 177.57 178.60 3fye h ILE 111 N 0.80 1.01 -0.16 4.57 2.04 -0.81 -1.00 117.51 123.97 3fye h ILE 111 Ca 0.13 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.60 3fye h ILE 111 Cb 0.65 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3fye h ILE 111 CO 0.04 0.12 -0.61 -0.07 0.00 0.00 0.00 178.15 177.64 3fye h LEU 112 N 0.65 0.60 -0.57 1.44 3.38 -1.18 -1.13 115.31 118.50 3fye h LEU 112 Ca 0.25 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3fye h LEU 112 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3fye h LEU 112 CO -0.14 1.06 0.13 0.58 0.09 0.00 0.00 178.44 180.17 3fye h VAL 113 N 0.39 1.25 -0.15 1.22 2.07 -1.12 0.41 116.25 120.32 3fye h VAL 113 Ca -0.00 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3fye h VAL 113 Cb 1.16 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3fye h VAL 113 CO 0.11 0.33 0.07 0.00 0.02 0.00 0.00 177.57 178.10 3fye h ALA 114 N 1.02 0.19 -0.51 1.67 0.00 -0.96 -0.19 119.26 120.49 3fye h ALA 114 Ca 0.18 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3fye h ALA 114 Cb 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3fye h ALA 114 CO 0.00 -0.24 0.27 0.82 0.00 0.00 0.00 179.25 180.10 3fye h ILE 115 N 0.11 0.98 -0.51 0.00 2.04 -1.17 -2.75 117.51 116.21 3fye h ILE 115 Ca 0.05 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3fye h ILE 115 Cb 0.13 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3fye h ILE 115 CO -0.01 0.10 0.26 1.23 0.00 0.00 0.00 178.15 179.73 3fye h GLY 116 N 0.53 0.75 1.59 5.37 0.00 -0.63 0.06 103.07 110.72 3fye h GLY 116 Ca 0.22 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3fye h GLY 116 CO -0.14 0.31 -0.17 0.00 0.00 0.00 0.00 176.54 176.54 3fye h ALA 117 N 1.59 1.19 0.00 3.60 0.00 -0.75 -1.67 119.26 123.21 3fye h ALA 117 Ca 0.18 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 3fye h ALA 117 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3fye h ALA 117 CO -0.03 0.52 -1.32 0.74 0.00 0.00 0.00 179.25 179.17 3fye h PHE 118 N 0.45 0.00 0.20 0.00 -1.00 -1.27 -3.41 116.94 111.92 3fye h PHE 118 Ca 0.08 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.56 3fye h PHE 118 Cb 0.56 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.15 3fye h PHE 118 CO 0.02 0.93 -1.36 1.03 -1.61 0.00 0.00 178.31 177.32 3fye h SER 119 N 0.00 0.68 -0.70 2.17 0.87 -0.80 -3.34 113.55 112.43 3fye h SER 119 Ca -0.15 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 59.48 3fye h SER 119 Cb 1.84 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.54 3fye h SER 119 CO 0.10 1.64 0.39 -0.07 -0.53 0.00 0.00 176.83 178.36 3fye h LEU 120 N -0.03 0.86 -0.42 2.23 3.38 -1.53 -1.66 115.31 118.14 3fye h LEU 120 Ca -0.25 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3fye h LEU 120 Cb 1.99 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.48 3fye h LEU 120 CO 0.21 0.70 0.15 -0.65 0.09 0.00 0.00 178.44 178.94 3fye h PRO 121 N 0.95 0.31 -0.55 1.13 0.11 -1.79 -1.29 132.00 130.88 3fye h PRO 121 Ca 0.25 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.40 3fye h PRO 121 Cb 0.02 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.01 3fye h PRO 121 CO -0.04 0.21 0.26 0.28 -0.21 0.00 0.00 178.00 178.49 3fye h VAL 122 N 0.32 0.90 -0.79 3.15 2.07 -1.61 0.21 116.25 120.50 3fye h VAL 122 Ca 0.20 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3fye h VAL 122 Cb 0.18 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3fye h VAL 122 CO -0.20 0.09 0.51 0.25 0.02 0.00 0.00 177.57 178.24 3fye h LEU 123 N 0.49 0.86 -0.32 2.57 5.85 -1.04 -1.00 115.31 122.73 3fye h LEU 123 Ca 0.25 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3fye h LEU 123 Cb 0.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3fye h LEU 123 CO -0.20 0.61 0.09 -0.26 -0.34 0.00 0.00 178.44 178.33 3fye h PHE 124 N 1.02 0.52 -0.97 1.25 -1.00 -0.48 -1.91 116.94 115.36 3fye h PHE 124 Ca 0.31 -0.06 0.09 0.00 2.81 0.00 0.00 57.97 61.12 3fye h PHE 124 Cb -0.04 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 39.30 3fye h PHE 124 CO -0.02 0.53 0.61 -0.97 -1.61 0.00 0.00 178.31 176.85 3fye h ASN 125 N 0.35 0.94 -0.21 2.17 -1.24 -0.64 -1.72 115.58 115.24 3fye h ASN 125 Ca 0.10 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 3fye h ASN 125 Cb 0.26 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 3fye h ASN 125 CO -0.00 0.56 0.01 1.56 -1.29 0.00 0.00 177.43 178.27 3fye h GLN 126 N 1.05 0.36 0.00 6.67 4.20 -0.98 -3.36 115.11 123.05 3fye h GLN 126 Ca 0.45 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 59.05 3fye h GLN 126 Cb 0.31 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3fye h GLN 126 CO -0.22 0.54 -1.03 1.04 -0.67 0.00 0.00 178.83 178.49 3fye n GLN 127 N -4.70 0.33 -2.80 1.46 1.13 -0.74 -4.68 117.38 107.38 3fye n GLN 127 Ca -0.04 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.60 3fye n GLN 127 Cb 0.22 -1.62 -0.04 0.00 0.11 0.00 0.00 30.24 28.91 3fye n GLN 127 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3fye s GLU 128 N -3.22 3.85 -0.16 -1.09 2.02 -0.66 -5.00 118.70 114.44 3fye s GLU 128 Ca 0.03 0.59 -0.29 0.00 0.02 0.00 0.00 54.97 55.32 3fye s GLU 128 Cb 0.14 -3.80 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 3fye s GLU 128 CO 0.80 -0.95 1.09 0.42 0.02 0.00 0.00 175.26 176.64 3fye s ILE 129 N 3.49 4.58 0.60 -1.63 -1.09 -1.26 -4.94 121.20 120.96 3fye s ILE 129 Ca 0.38 1.89 -0.10 0.00 -2.23 0.00 0.00 60.65 60.59 3fye s ILE 129 Cb -0.12 -4.22 0.14 0.00 -1.58 0.00 0.00 42.46 36.68 3fye s ILE 129 CO 0.19 -0.09 0.82 -0.81 -1.23 0.00 0.00 174.94 173.81 3fye n PRO 130 N 5.81 -0.79 -2.79 2.79 -0.05 -1.26 -5.01 135.00 133.70 3fye n PRO 130 Ca 0.11 -1.27 -0.41 0.00 -0.05 0.00 0.00 63.50 61.89 3fye n PRO 130 Cb 0.47 -0.84 -0.05 0.00 -0.05 0.00 0.00 33.50 33.03 3fye n PRO 130 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 3fye s GLU 131 N -4.78 4.67 0.12 0.54 2.12 -1.26 -5.00 118.70 115.11 3fye s GLU 131 Ca 0.46 1.36 -0.30 0.00 0.36 0.00 0.00 54.97 56.86 3fye s GLU 131 Cb -0.01 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 3fye s GLU 131 CO 0.32 0.27 1.02 0.00 -0.54 0.00 0.00 175.26 176.34 3fye s ALA 132 N -0.17 3.29 -0.01 6.30 0.00 -1.26 -4.84 121.76 125.06 3fye s ALA 132 Ca 0.44 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 3fye s ALA 132 Cb -0.23 -3.32 -0.31 0.00 0.00 0.00 0.00 23.12 19.26 3fye s ALA 132 CO 0.28 -0.12 0.83 -0.44 0.00 0.00 0.00 175.76 176.31 3fye h ASP 133 N 5.61 0.60 -4.03 0.00 3.32 -1.17 -3.47 116.42 117.28 3fye h ASP 133 Ca -0.43 -0.79 -0.44 0.00 0.02 0.00 0.00 57.03 55.39 3fye h ASP 133 Cb 1.21 -0.20 -0.29 0.00 0.22 0.00 0.00 39.33 40.27 3fye h ASP 133 CO 0.73 1.65 -0.79 -0.69 -1.72 0.00 0.00 179.24 178.41 3fye s VAL 134 N -2.60 0.88 -0.12 -1.35 1.01 -0.85 -5.00 120.40 112.37 3fye s VAL 134 Ca -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3fye s VAL 134 Cb 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.71 3fye s VAL 134 CO 0.88 0.26 -0.14 -0.89 0.00 0.00 0.00 175.10 175.21 3fye s THR 135 N -0.15 1.43 -0.05 3.92 2.01 -1.26 -1.09 115.64 120.45 3fye s THR 135 Ca 0.02 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.48 3fye s THR 135 Cb -0.06 -1.34 0.00 0.00 0.01 0.00 0.00 72.50 71.12 3fye s THR 135 CO -0.00 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 3fye s VAL 136 N 1.22 1.43 -0.23 3.82 1.01 -0.56 -4.02 120.40 123.07 3fye s VAL 136 Ca -0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 3fye s VAL 136 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3fye s VAL 136 CO -0.05 0.41 0.06 -0.75 0.00 0.00 0.00 175.10 174.77 3fye s LYS 137 N 0.22 3.70 -0.13 2.72 2.20 0.10 -0.49 119.74 128.06 3fye s LYS 137 Ca -0.08 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.06 3fye s LYS 137 Cb -0.13 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3fye s LYS 137 CO 0.03 -0.08 -0.11 0.08 -0.36 0.00 0.00 175.35 174.91 3fye s VAL 138 N 1.33 3.24 -0.14 4.02 1.01 0.66 -0.48 120.40 130.03 3fye s VAL 138 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3fye s VAL 138 Cb -0.15 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3fye s VAL 138 CO 0.03 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 174.56 3fye s THR 139 N 0.25 1.95 -0.04 3.92 2.01 -0.08 -1.32 115.64 122.33 3fye s THR 139 Ca -0.08 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 3fye s THR 139 Cb -0.15 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 3fye s THR 139 CO 0.05 0.53 0.92 -0.83 -0.69 0.00 0.00 174.62 174.60 3fye s GLY 140 N 0.90 2.70 0.19 4.40 0.00 0.31 -0.46 107.32 115.36 3fye s GLY 140 Ca -0.06 0.40 0.07 0.00 0.00 0.00 0.00 44.72 45.13 3fye s GLY 140 CO -0.03 1.63 -0.12 -0.19 0.00 0.00 0.00 173.10 174.39 3fye s TYR 141 N 1.23 1.58 -0.54 1.90 1.51 -0.01 -0.54 117.35 122.47 3fye s TYR 141 Ca 0.48 -0.64 -0.25 0.00 -1.01 0.00 0.00 57.07 55.65 3fye s TYR 141 Cb -0.20 -0.76 0.04 0.00 -0.11 0.00 0.00 41.96 40.93 3fye s TYR 141 CO 0.23 0.26 0.97 -0.65 -1.11 0.00 0.00 175.55 175.26 3fye s GLN 142 N -3.68 3.38 -0.46 -0.62 -0.21 -1.26 -1.01 119.66 115.80 3fye s GLN 142 Ca 0.21 -0.14 0.02 0.00 0.02 0.00 0.00 55.36 55.48 3fye s GLN 142 Cb 0.01 -4.03 0.14 0.00 1.00 0.00 0.00 33.01 30.13 3fye s GLN 142 CO 0.05 -1.48 0.28 -1.58 -2.12 0.00 0.00 175.29 170.44 3fye s TRP 143 N 4.07 1.91 -0.02 0.91 0.51 -1.26 -5.13 118.94 119.92 3fye s TRP 143 Ca 0.33 -2.44 -0.30 0.00 -2.12 0.00 0.00 56.10 51.57 3fye s TRP 143 Cb -0.11 -1.74 0.11 0.00 -0.81 0.00 0.00 33.47 30.91 3fye s TRP 143 CO 0.21 -0.77 1.17 1.52 -0.51 0.00 0.00 176.95 178.57 3fye s TYR 144 N 0.17 -0.11 -0.02 -1.98 1.13 -0.18 -4.70 117.35 111.67 3fye s TYR 144 Ca 0.21 -0.03 0.02 0.00 -1.41 0.00 0.00 57.07 55.86 3fye s TYR 144 Cb -0.18 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.21 3fye s TYR 144 CO -0.05 -0.40 -0.05 -1.58 -2.51 0.00 0.00 175.55 170.97 3fye s TRP 145 N -2.66 2.97 -0.08 -3.49 0.52 -1.02 -0.83 118.94 114.34 3fye s TRP 145 Ca 0.12 0.02 -0.01 0.00 0.02 0.00 0.00 56.10 56.25 3fye s TRP 145 Cb 0.02 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 3fye s TRP 145 CO -0.03 0.39 -0.03 0.20 0.02 0.00 0.00 176.95 177.50 3fye s GLY 146 N -1.29 1.78 -0.06 0.98 0.00 0.39 -0.22 107.32 108.90 3fye s GLY 146 Ca 0.16 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 44.10 3fye s GLY 146 CO 0.07 -0.60 -0.23 -0.19 0.00 0.00 0.00 173.10 172.14 3fye s TYR 147 N -0.81 2.32 -0.06 1.90 1.51 0.17 -0.90 117.35 121.48 3fye s TYR 147 Ca 0.12 -0.72 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 3fye s TYR 147 Cb -0.11 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 3fye s TYR 147 CO 0.02 -0.23 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.12 3fye s GLU 148 N -0.06 1.52 -0.58 -0.62 2.12 0.37 -1.19 118.70 120.26 3fye s GLU 148 Ca -0.06 -0.36 -0.11 0.00 0.36 0.00 0.00 54.97 54.81 3fye s GLU 148 Cb -0.14 -1.29 0.15 0.00 0.26 0.00 0.00 34.13 33.11 3fye s GLU 148 CO 0.04 0.02 0.47 0.71 -0.54 0.00 0.00 175.26 175.96 3fye s TYR 149 N 0.67 3.46 0.29 5.30 1.51 0.12 0.00 117.35 128.69 3fye s TYR 149 Ca -0.13 -1.89 0.00 0.00 -1.01 0.00 0.00 57.07 54.03 3fye s TYR 149 Cb -0.15 -3.59 0.50 0.00 -0.11 0.00 0.00 41.96 38.61 3fye s TYR 149 CO 0.03 -0.98 1.89 -1.35 -1.11 0.00 0.00 175.55 174.03 3fye h PRO 150 N 8.22 1.03 0.00 -1.71 0.11 -1.83 -0.62 132.00 137.20 3fye h PRO 150 Ca -0.14 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 3fye h PRO 150 Cb 1.06 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3fye h PRO 150 CO 0.86 0.68 -0.23 -0.44 -0.21 0.00 0.00 178.00 178.66 3fye h ASP 151 N 1.06 0.00 -0.01 -2.05 3.45 -1.93 -3.26 116.42 113.68 3fye h ASP 151 Ca 0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.89 3fye h ASP 151 Cb 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3fye h ASP 151 CO -0.18 0.23 -0.10 -0.62 -1.57 0.00 0.00 179.24 177.00 3fye n GLU 152 N -3.82 1.25 -3.86 3.56 -0.58 -0.73 -5.00 120.64 111.47 3fye n GLU 152 Ca -0.02 -0.85 -0.30 0.00 -0.42 0.00 0.00 57.16 55.58 3fye n GLU 152 Cb 0.33 -1.13 0.01 0.00 -0.57 0.00 0.00 31.44 30.08 3fye n GLU 152 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3fye n GLU 153 N 0.15 -4.85 -4.23 3.49 1.02 -0.32 -4.98 120.64 110.93 3fye n GLU 153 Ca 0.05 0.56 -0.34 0.00 -0.02 0.00 0.00 57.16 57.40 3fye n GLU 153 Cb 0.23 -5.40 -0.10 0.00 -0.02 0.00 0.00 31.44 26.14 3fye n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fye s ILE 154 N -3.24 4.36 -0.03 -3.67 1.01 -1.14 -4.99 121.20 113.50 3fye s ILE 154 Ca 0.63 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 3fye s ILE 154 Cb -0.32 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.24 3fye s ILE 154 CO 0.78 0.51 0.12 -0.94 0.00 0.00 0.00 174.94 175.41 3fye s SER 155 N 0.06 -0.06 0.13 3.58 1.04 -1.26 0.12 113.70 117.30 3fye s SER 155 Ca 0.03 0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.29 3fye s SER 155 Cb -0.13 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.30 3fye s SER 155 CO 0.02 -0.15 0.60 0.72 0.98 0.00 0.00 173.24 175.40 3fye s PHE 156 N -0.44 -0.54 0.21 5.02 -0.71 -0.34 -5.01 117.98 116.17 3fye s PHE 156 Ca -0.05 0.42 0.06 0.00 -1.04 0.00 0.00 56.93 56.32 3fye s PHE 156 Cb -0.03 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 3fye s PHE 156 CO 0.00 -0.81 0.17 -1.21 -1.34 0.00 0.00 175.22 172.04 3fye s GLU 157 N -3.37 2.94 -0.16 1.99 8.01 -1.26 -0.65 118.70 126.20 3fye s GLU 157 Ca -0.01 -0.94 -0.03 0.00 0.01 0.00 0.00 54.97 54.00 3fye s GLU 157 Cb -0.01 -2.62 0.05 0.00 -4.31 0.00 0.00 34.13 27.24 3fye s GLU 157 CO -0.10 0.45 0.03 0.45 0.01 0.00 0.00 175.26 176.10 3fye s SER 158 N -3.47 2.52 0.04 -0.19 0.15 0.70 -4.62 113.70 108.83 3fye s SER 158 Ca 0.32 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.41 3fye s SER 158 Cb -0.09 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.65 3fye s SER 158 CO 0.24 -0.28 -0.13 -0.31 1.20 0.00 0.00 173.24 173.96 3fye s TYR 159 N 1.91 2.69 0.32 3.44 1.51 -1.26 -2.43 117.35 123.52 3fye s TYR 159 Ca 0.01 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.61 3fye s TYR 159 Cb -0.16 -1.50 -0.12 0.00 -0.11 0.00 0.00 41.96 40.07 3fye s TYR 159 CO -0.07 0.32 1.38 -0.12 -1.11 0.00 0.00 175.55 175.95 3fye n MET 160 N 1.41 2.26 -2.13 -0.62 0.00 -1.26 -0.38 117.12 116.39 3fye n MET 160 Ca -0.15 0.80 -0.43 0.00 -0.00 0.00 0.00 57.70 57.91 3fye n MET 160 Cb 0.52 -2.44 -0.02 0.00 0.00 0.00 0.00 33.22 31.27 3fye n MET 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3fye s ILE 161 N -0.72 3.70 0.00 1.12 1.01 -0.32 -1.63 121.20 124.36 3fye s ILE 161 Ca 0.59 0.77 0.00 0.00 0.00 0.00 0.00 60.65 62.01 3fye s ILE 161 Cb -0.56 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3fye s ILE 161 CO 0.58 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3fye n GLY 162 N 4.81 1.39 3.73 6.18 0.00 -1.26 -4.63 105.19 115.40 3fye n GLY 162 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3fye n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fye s SER 163 N -1.99 3.93 0.30 1.61 1.04 -0.65 -0.57 113.70 117.37 3fye s SER 163 Ca 0.00 1.90 0.05 0.00 0.48 0.00 0.00 55.95 58.39 3fye s SER 163 Cb 0.00 -2.51 0.73 0.00 0.10 0.00 0.00 66.02 64.34 3fye s SER 163 CO 0.00 -2.41 1.77 -0.65 0.98 0.00 0.00 173.24 172.92 3fye h PRO 164 N -1.39 0.69 -0.22 4.02 0.11 -1.85 0.13 132.00 133.50 3fye h PRO 164 Ca -0.44 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3fye h PRO 164 Cb 1.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3fye h PRO 164 CO 0.49 0.46 0.16 0.00 -0.21 0.00 0.00 178.00 178.89 3fye h ALA 165 N 1.65 2.18 -0.47 -0.75 0.00 -1.92 -0.71 119.26 119.24 3fye h ALA 165 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3fye h ALA 165 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3fye h ALA 165 CO -0.40 -0.24 0.00 0.25 0.00 0.00 0.00 179.25 178.86 3fye n THR 166 N -4.48 0.62 0.00 0.00 -2.24 -0.54 -4.94 114.28 102.70 3fye n THR 166 Ca 0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3fye n THR 166 Cb 0.29 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3fye n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fye n GLY 167 N 1.42 1.03 0.03 3.38 0.00 -0.27 -4.82 105.19 105.95 3fye n GLY 167 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 3fye n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fye n GLY 168 N -1.93 0.28 2.77 -0.02 0.00 -0.08 -4.88 105.19 101.34 3fye n GLY 168 Ca 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 3fye n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fye n ASP 169 N -3.00 1.09 -0.48 1.61 3.85 -0.89 -2.68 116.55 116.06 3fye n ASP 169 Ca 0.00 -2.24 -0.06 0.00 -0.71 0.00 0.00 54.79 51.78 3fye n ASP 169 Cb 0.00 -0.32 -0.02 0.00 -1.35 0.00 0.00 41.12 39.44 3fye n ASP 169 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3fye n ASN 170 N -0.55 -3.56 -4.26 -1.12 3.02 0.27 -4.97 115.26 104.09 3fye n ASN 170 Ca 0.05 0.13 -0.14 0.00 -0.03 0.00 0.00 54.58 54.58 3fye n ASN 170 Cb 0.82 -1.74 -0.10 0.00 -0.61 0.00 0.00 39.78 38.15 3fye n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fye s ARG 171 N -2.71 1.11 0.43 3.52 1.70 -1.26 -5.02 118.95 116.72 3fye s ARG 171 Ca 0.00 -1.50 -0.25 0.00 -0.47 0.00 0.00 55.73 53.50 3fye s ARG 171 Cb 0.00 -0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 33.79 3fye s ARG 171 CO 0.00 -0.01 1.32 1.41 -1.08 0.00 0.00 175.30 176.94 3fye s MET 172 N -3.81 3.82 0.18 3.89 -2.45 -1.26 -4.90 119.30 114.77 3fye s MET 172 Ca 0.20 2.18 -0.23 0.00 -1.25 0.00 0.00 55.69 56.59 3fye s MET 172 Cb 0.04 -2.66 0.06 0.00 1.25 0.00 0.00 34.83 33.52 3fye s MET 172 CO 0.02 -0.62 0.67 -1.54 1.05 0.00 0.00 175.02 174.60 3fye s SER 173 N -0.77 -0.46 0.27 1.11 1.04 -1.26 -5.00 113.70 108.63 3fye s SER 173 Ca 0.60 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.85 3fye s SER 173 Cb -0.38 0.61 0.55 0.00 0.10 0.00 0.00 66.02 66.90 3fye s SER 173 CO 0.49 -1.04 1.80 -0.65 0.98 0.00 0.00 173.24 174.82 3fye h PRO 174 N 2.00 0.78 -0.10 4.02 0.11 -2.00 -1.14 132.00 135.67 3fye h PRO 174 Ca -0.29 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 3fye h PRO 174 Cb 1.29 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3fye h PRO 174 CO 0.33 0.51 -0.60 1.05 -0.21 0.00 0.00 178.00 179.08 3fye h GLU 175 N 0.80 0.35 -0.38 1.05 9.09 -1.99 -2.61 114.58 120.89 3fye h GLU 175 Ca 0.48 -0.24 -0.02 0.00 0.05 0.00 0.00 59.36 59.64 3fye h GLU 175 Cb 0.59 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.71 3fye h GLU 175 CO -0.31 0.84 0.16 0.28 0.05 0.00 0.00 179.01 180.03 3fye h VAL 176 N 0.26 1.19 -0.88 -1.06 2.07 -1.80 -0.50 116.25 115.52 3fye h VAL 176 Ca -0.00 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.00 3fye h VAL 176 Cb 1.12 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3fye h VAL 176 CO 0.10 0.20 0.56 -0.08 0.02 0.00 0.00 177.57 178.37 3fye h GLU 177 N 0.46 1.02 -0.36 1.57 4.81 -1.15 0.04 114.58 120.97 3fye h GLU 177 Ca 0.13 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 3fye h GLU 177 Cb 0.17 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3fye h GLU 177 CO -0.01 0.68 -0.25 0.37 -0.73 0.00 0.00 179.01 179.07 3fye h GLN 178 N 1.05 0.80 -0.68 1.92 5.75 -1.29 -1.79 115.11 120.88 3fye h GLN 178 Ca 0.37 -0.38 0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3fye h GLN 178 Cb 0.09 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 3fye h GLN 178 CO -0.15 1.01 0.35 1.96 -2.65 0.00 0.00 178.83 179.36 3fye h GLN 179 N 0.59 0.60 -0.34 1.69 4.20 -0.58 0.12 115.11 121.38 3fye h GLN 179 Ca 0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3fye h GLN 179 Cb 0.81 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3fye h GLN 179 CO 0.07 0.40 0.13 -0.07 -0.67 0.00 0.00 178.83 178.69 3fye h LEU 180 N 0.62 0.47 -0.33 1.46 3.38 -0.82 -0.31 115.31 119.77 3fye h LEU 180 Ca 0.32 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3fye h LEU 180 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fye h LEU 180 CO -0.23 0.51 0.06 0.40 0.09 0.00 0.00 178.44 179.27 3fye h ILE 181 N 0.40 1.23 -0.20 1.22 2.04 -1.04 0.38 117.51 121.55 3fye h ILE 181 Ca 0.11 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3fye h ILE 181 Cb 0.19 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3fye h ILE 181 CO -0.01 0.26 0.09 -0.33 0.00 0.00 0.00 178.15 178.17 3fye h GLU 182 N 0.37 0.27 -0.00 2.37 5.08 -0.63 -1.65 114.58 120.40 3fye h GLU 182 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3fye h GLU 182 Cb 0.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3fye h GLU 182 CO 0.00 0.22 -0.03 0.00 -1.00 0.00 0.00 179.01 178.20 3fye n ALA 183 N -2.50 2.67 -0.15 3.43 0.00 -0.14 -4.91 120.51 118.91 3fye n ALA 183 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3fye n ALA 183 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3fye n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fye n GLY 184 N 1.14 0.92 1.00 0.00 0.00 -0.62 -5.06 105.19 102.58 3fye n GLY 184 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3fye n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fye n TYR 185 N -2.15 -1.17 -4.66 1.61 4.01 0.13 -4.99 117.16 109.94 3fye n TYR 185 Ca 0.00 -0.62 -0.30 0.00 -0.16 0.00 0.00 57.90 56.82 3fye n TYR 185 Cb 0.00 -0.12 -0.07 0.00 -0.31 0.00 0.00 39.34 38.84 3fye n TYR 185 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3fye s SER 186 N -1.84 3.55 0.38 7.72 1.04 -1.26 -3.54 113.70 119.75 3fye s SER 186 Ca 0.08 -1.72 0.28 0.00 0.48 0.00 0.00 55.95 55.06 3fye s SER 186 Cb -0.01 0.65 1.22 0.00 0.10 0.00 0.00 66.02 67.98 3fye s SER 186 CO 0.05 -0.96 1.83 0.08 0.98 0.00 0.00 173.24 175.22 3fye h ARG 187 N 1.50 0.00 0.00 4.02 0.11 -1.93 -2.44 114.38 115.63 3fye h ARG 187 Ca -0.39 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.66 3fye h ARG 187 Cb 1.30 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.38 3fye h ARG 187 CO 0.63 0.00 -0.15 -0.44 0.10 0.00 0.00 179.97 180.11 3fye h ASP 188 N 0.00 0.00 -0.21 0.08 5.19 -2.01 -2.85 116.42 116.62 3fye h ASP 188 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3fye h ASP 188 Cb 0.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.84 3fye h ASP 188 CO 0.00 0.15 0.00 -0.62 -3.12 0.00 0.00 179.24 175.65 3fye n GLU 189 N -3.57 1.71 -1.75 3.56 4.71 -0.92 -4.94 120.64 119.43 3fye n GLU 189 Ca -0.01 -1.08 -0.42 0.00 -0.01 0.00 0.00 57.16 55.64 3fye n GLU 189 Cb 0.29 -1.35 -0.01 0.00 -1.01 0.00 0.00 31.44 29.37 3fye n GLU 189 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3fye n PHE 190 N 0.32 2.85 0.00 -0.32 7.35 -1.08 -0.93 117.46 125.65 3fye n PHE 190 Ca 0.15 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 3fye n PHE 190 Cb 0.30 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.59 3fye n PHE 190 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3fye n LEU 191 N 1.19 0.00 -0.10 -2.13 4.77 -1.26 -4.77 117.00 114.69 3fye n LEU 191 Ca 0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 3fye n LEU 191 Cb 0.37 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3fye n LEU 191 CO 0.64 0.00 -1.16 0.18 -1.33 0.00 0.00 177.39 175.72 3fye n LEU 192 N 0.00 1.99 -4.75 2.23 4.77 -0.50 -4.55 117.00 116.19 3fye n LEU 192 Ca 0.00 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 3fye n LEU 192 Cb 0.00 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 3fye n LEU 192 CO 0.00 0.57 1.05 0.00 -1.33 0.00 0.00 177.39 177.68 3fye s ALA 193 N -2.37 3.57 0.32 -1.18 0.00 -0.11 -4.32 121.76 117.67 3fye s ALA 193 Ca -0.27 1.28 0.10 0.00 0.00 0.00 0.00 51.96 53.07 3fye s ALA 193 Cb 0.09 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3fye s ALA 193 CO 0.38 -0.69 -0.04 0.95 0.00 0.00 0.00 175.76 176.37 3fye s THR 194 N -0.35 2.67 0.28 0.00 -4.23 -1.26 -1.17 115.64 111.57 3fye s THR 194 Ca 0.56 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 3fye s THR 194 Cb -0.41 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 70.80 3fye s THR 194 CO 0.46 -0.25 1.73 -2.24 -0.54 0.00 0.00 174.62 173.77 3fye h ASP 195 N 1.91 0.53 -4.13 3.99 2.03 -1.00 -3.43 116.42 116.32 3fye h ASP 195 Ca -0.42 -0.17 -0.58 0.00 -0.73 0.00 0.00 57.03 55.13 3fye h ASP 195 Cb 1.25 -0.14 -0.22 0.00 -0.83 0.00 0.00 39.33 39.39 3fye h ASP 195 CO 0.65 0.74 -0.83 0.42 -1.03 0.00 0.00 179.24 179.19 3fye s THR 196 N -4.58 1.81 0.20 1.15 -4.23 -1.26 -5.02 115.64 103.71 3fye s THR 196 Ca -0.07 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 58.94 3fye s THR 196 Cb 0.14 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 3fye s THR 196 CO 0.79 -0.03 -0.09 0.00 -0.54 0.00 0.00 174.62 174.75 3fye s ALA 197 N -1.15 2.95 -0.38 3.99 0.00 -1.26 -4.76 121.76 121.15 3fye s ALA 197 Ca 0.08 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.27 3fye s ALA 197 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3fye s ALA 197 CO 0.05 0.43 0.86 1.41 0.00 0.00 0.00 175.76 178.50 3fye s MET 198 N -2.97 3.76 -0.16 0.00 1.75 -0.06 -4.90 119.30 116.71 3fye s MET 198 Ca 0.26 0.40 -0.10 0.00 -1.25 0.00 0.00 55.69 55.01 3fye s MET 198 Cb -0.08 -3.82 -0.05 0.00 2.84 0.00 0.00 34.83 33.72 3fye s MET 198 CO 0.16 -0.93 0.16 0.08 -0.65 0.00 0.00 175.02 173.83 3fye s VAL 199 N 3.32 5.42 0.03 10.11 1.01 -1.26 -0.19 120.40 138.85 3fye s VAL 199 Ca 0.35 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 3fye s VAL 199 Cb -0.12 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3fye s VAL 199 CO 0.19 0.49 0.03 0.68 0.00 0.00 0.00 175.10 176.49 3fye s VAL 200 N -0.10 0.14 0.33 2.92 -7.23 -0.06 -4.95 120.40 111.45 3fye s VAL 200 Ca 0.12 -1.17 -0.23 0.00 -1.81 0.00 0.00 61.98 58.88 3fye s VAL 200 Cb -0.12 -0.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.91 3fye s VAL 200 CO 0.01 -0.65 0.90 -2.16 -0.31 0.00 0.00 175.10 172.89 3fye s PRO 201 N -2.48 4.41 0.67 4.82 0.04 -1.26 -0.95 135.00 140.25 3fye s PRO 201 Ca -0.06 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 61.97 3fye s PRO 201 Cb -0.02 -2.63 -0.00 0.00 0.04 0.00 0.00 34.50 31.88 3fye s PRO 201 CO -0.04 0.21 1.17 1.33 0.04 0.00 0.00 177.00 179.71 3fye n VAL 202 N 0.23 4.10 -1.84 -0.36 0.24 0.53 -3.67 118.33 117.55 3fye n VAL 202 Ca 0.03 -0.45 -0.19 0.00 -2.04 0.00 0.00 64.34 61.69 3fye n VAL 202 Cb 0.51 -1.33 -0.06 0.00 -1.47 0.00 0.00 33.84 31.49 3fye n VAL 202 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3fye n ASN 203 N -1.82 -5.36 -4.33 -1.34 3.02 0.80 -4.82 115.26 101.41 3fye n ASN 203 Ca 0.15 0.29 -0.29 0.00 -0.03 0.00 0.00 54.58 54.70 3fye n ASN 203 Cb 0.48 -4.49 -0.15 0.00 -0.61 0.00 0.00 39.78 35.02 3fye n ASN 203 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fye s LYS 204 N -4.09 1.70 -0.32 3.52 -0.14 -1.24 -5.01 119.74 114.16 3fye s LYS 204 Ca 0.00 -1.09 -0.29 0.00 -1.36 0.00 0.00 55.97 53.23 3fye s LYS 204 Cb 0.00 -1.88 0.00 0.00 -1.68 0.00 0.00 37.83 34.27 3fye s LYS 204 CO 0.00 0.48 1.36 0.99 -0.76 0.00 0.00 175.35 177.43 3fye s THR 205 N -0.81 4.03 -0.21 2.17 2.01 -1.26 -4.29 115.64 117.27 3fye s THR 205 Ca 0.11 1.13 -0.10 0.00 0.31 0.00 0.00 61.69 63.15 3fye s THR 205 Cb -0.10 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 3fye s THR 205 CO 0.02 -0.53 0.13 -0.69 -0.69 0.00 0.00 174.62 172.86 3fye s VAL 206 N 4.75 5.35 -0.19 3.82 1.01 -0.03 -0.52 120.40 134.60 3fye s VAL 206 Ca 0.59 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 3fye s VAL 206 Cb -0.17 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3fye s VAL 206 CO 0.26 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 175.00 3fye s VAL 207 N 0.51 3.06 -0.18 2.92 1.01 -0.25 -1.69 120.40 125.78 3fye s VAL 207 Ca 0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3fye s VAL 207 Cb -0.12 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3fye s VAL 207 CO -0.00 0.47 -0.00 -0.69 0.00 0.00 0.00 175.10 174.87 3fye s VAL 208 N 1.15 4.11 -0.30 2.92 1.01 -0.22 -1.50 120.40 127.57 3fye s VAL 208 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3fye s VAL 208 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3fye s VAL 208 CO -0.03 0.46 0.17 -1.10 0.00 0.00 0.00 175.10 174.61 3fye s GLN 209 N 0.58 3.64 -0.14 2.72 -0.21 0.36 -1.33 119.66 125.26 3fye s GLN 209 Ca -0.01 -0.53 -0.03 0.00 0.02 0.00 0.00 55.36 54.81 3fye s GLN 209 Cb -0.14 -3.62 -0.03 0.00 1.00 0.00 0.00 33.01 30.22 3fye s GLN 209 CO 0.02 -0.31 -0.02 0.08 -2.12 0.00 0.00 175.29 172.94 3fye s VAL 210 N 1.69 4.05 0.10 1.09 1.01 0.23 -0.25 120.40 128.32 3fye s VAL 210 Ca 0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3fye s VAL 210 Cb -0.16 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3fye s VAL 210 CO 0.09 0.52 0.18 0.28 0.00 0.00 0.00 175.10 176.16 3fye s THR 211 N 0.08 0.14 -0.00 3.92 -1.32 -0.43 -1.55 115.64 116.47 3fye s THR 211 Ca 0.01 -1.29 -0.00 0.00 -1.21 0.00 0.00 61.69 59.19 3fye s THR 211 Cb -0.13 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 3fye s THR 211 CO 0.02 -0.63 0.08 -0.83 -2.21 0.00 0.00 174.62 171.06 3fye s GLY 212 N -2.89 2.01 0.03 6.08 0.00 -1.08 -0.53 107.32 110.94 3fye s GLY 212 Ca 0.07 -0.87 0.21 0.00 0.00 0.00 0.00 44.72 44.13 3fye s GLY 212 CO -0.09 -0.75 0.65 0.00 0.00 0.00 0.00 173.10 172.91 3fye n ALA 213 N 1.18 2.40 0.06 3.20 0.00 0.30 -3.43 120.51 124.23 3fye n ALA 213 Ca -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3fye n ALA 213 Cb 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3fye n ALA 213 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fye n ASP 214 N -2.55 -0.01 -4.32 0.00 5.68 -1.26 -5.00 116.55 109.08 3fye n ASP 214 Ca -0.08 0.22 -0.27 0.00 -0.50 0.00 0.00 54.79 54.16 3fye n ASP 214 Cb 0.69 0.16 -0.05 0.00 -1.14 0.00 0.00 41.12 40.78 3fye n ASP 214 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3fye n VAL 215 N -2.97 0.00 -2.68 2.12 0.24 -1.26 -4.86 118.33 108.91 3fye n VAL 215 Ca 0.00 -2.04 -0.42 0.00 -2.04 0.00 0.00 64.34 59.85 3fye n VAL 215 Cb 0.00 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 3fye n VAL 215 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3fye s ILE 216 N -2.54 4.66 0.52 1.34 1.01 -1.26 -4.42 121.20 120.50 3fye s ILE 216 Ca 0.04 2.00 0.01 0.00 0.00 0.00 0.00 60.65 62.69 3fye s ILE 216 Cb -0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 3fye s ILE 216 CO 0.02 0.21 0.01 -1.00 0.00 0.00 0.00 174.94 174.18 3fye s HIS 217 N 0.68 1.77 -0.11 3.97 3.76 -0.99 -4.41 115.29 119.95 3fye s HIS 217 Ca 0.51 -1.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.36 3fye s HIS 217 Cb -0.23 -1.56 0.05 0.00 1.11 0.00 0.00 32.58 31.96 3fye s HIS 217 CO 0.29 0.17 0.24 0.45 -0.85 0.00 0.00 174.74 175.03 3fye s SER 218 N -3.89 0.08 -0.19 1.40 0.15 -1.26 -0.19 113.70 109.80 3fye s SER 218 Ca 0.03 0.52 -0.11 0.00 0.70 0.00 0.00 55.95 57.08 3fye s SER 218 Cb 0.00 0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 64.76 3fye s SER 218 CO 0.02 -0.20 0.19 0.86 1.20 0.00 0.00 173.24 175.31 3fye s TRP 219 N 1.81 3.42 -0.04 3.44 -0.00 -0.77 -1.61 118.94 125.19 3fye s TRP 219 Ca -0.04 0.42 -0.20 0.00 -0.00 0.00 0.00 56.10 56.29 3fye s TRP 219 Cb -0.11 -2.23 0.04 0.00 -0.00 0.00 0.00 33.47 31.16 3fye s TRP 219 CO -0.08 0.26 0.44 -0.08 -0.00 0.00 0.00 176.95 177.48 3fye s THR 220 N 0.44 0.03 -0.27 5.86 -1.32 -1.26 -1.54 115.64 117.59 3fye s THR 220 Ca 0.11 -0.28 -0.03 0.00 -1.21 0.00 0.00 61.69 60.28 3fye s THR 220 Cb -0.12 -0.74 0.09 0.00 -1.51 0.00 0.00 72.50 70.22 3fye s THR 220 CO 0.00 -0.16 0.10 -0.69 -2.21 0.00 0.00 174.62 171.67 3fye s VAL 221 N -1.13 0.36 0.30 5.08 1.01 -0.99 -3.93 120.40 121.11 3fye s VAL 221 Ca -0.11 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.05 3fye s VAL 221 Cb -0.03 -1.18 0.30 0.00 0.00 0.00 0.00 36.38 35.46 3fye s VAL 221 CO 0.06 -0.57 1.76 -0.65 0.00 0.00 0.00 175.10 175.69 3fye h PRO 222 N 8.27 0.65 0.00 2.72 0.11 -1.80 0.02 132.00 141.97 3fye h PRO 222 Ca -0.17 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 3fye h PRO 222 Cb 1.05 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3fye h PRO 222 CO 0.42 0.43 -0.02 0.00 -0.21 0.00 0.00 178.00 178.62 3fye h ALA 223 N 1.66 1.60 -0.01 -0.75 0.00 -1.85 -2.22 119.26 117.70 3fye h ALA 223 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3fye h ALA 223 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3fye h ALA 223 CO -0.42 0.02 -0.54 1.19 0.00 0.00 0.00 179.25 179.51 3fye n PHE 224 N -3.98 0.00 -3.28 0.00 3.72 -0.04 -1.30 117.46 112.58 3fye n PHE 224 Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.18 3fye n PHE 224 Cb 0.10 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 38.61 3fye n PHE 224 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fye n GLY 225 N 1.43 -0.29 3.24 1.37 0.00 -0.83 -3.80 105.19 106.31 3fye n GLY 225 Ca 0.08 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3fye n GLY 225 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fye s VAL 226 N -3.22 1.69 -0.24 1.61 -7.23 -1.21 -4.78 120.40 107.03 3fye s VAL 226 Ca 0.43 -1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 59.41 3fye s VAL 226 Cb -0.19 -1.43 0.07 0.00 0.56 0.00 0.00 36.38 35.39 3fye s VAL 226 CO 0.53 0.36 0.59 -0.75 -0.31 0.00 0.00 175.10 175.52 3fye s LYS 227 N -0.80 0.61 -0.17 4.82 2.20 -1.26 -2.34 119.74 122.81 3fye s LYS 227 Ca 0.08 1.03 -0.07 0.00 -0.36 0.00 0.00 55.97 56.65 3fye s LYS 227 Cb -0.08 0.12 0.08 0.00 -1.51 0.00 0.00 37.83 36.44 3fye s LYS 227 CO 0.00 -0.14 0.37 -1.14 -0.36 0.00 0.00 175.35 174.09 3fye s GLN 228 N 1.34 0.29 0.52 4.03 2.00 -0.59 -5.01 119.66 122.25 3fye s GLN 228 Ca -0.08 0.89 -0.22 0.00 -2.00 0.00 0.00 55.36 53.94 3fye s GLN 228 Cb -0.06 0.14 -0.06 0.00 0.80 0.00 0.00 33.01 33.84 3fye s GLN 228 CO -0.14 -0.23 1.32 -0.51 -0.50 0.00 0.00 175.29 175.22 3fye s ASP 229 N 2.21 5.54 -0.75 6.67 -0.00 -1.26 -1.85 116.67 127.23 3fye s ASP 229 Ca -0.03 2.67 -0.06 0.00 -0.00 0.00 0.00 52.55 55.12 3fye s ASP 229 Cb -0.11 -2.63 0.19 0.00 -0.00 0.00 0.00 42.92 40.37 3fye s ASP 229 CO -0.12 -1.38 0.62 0.00 -0.00 0.00 0.00 175.17 174.29 3fye s ALA 230 N -1.35 3.88 -0.20 5.23 0.00 0.73 -4.76 121.76 125.29 3fye s ALA 230 Ca 0.69 -3.40 -0.14 0.00 0.00 0.00 0.00 51.96 49.11 3fye s ALA 230 Cb -0.38 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3fye s ALA 230 CO 0.45 -2.18 0.30 0.08 0.00 0.00 0.00 175.76 174.42 3fye s VAL 231 N -0.24 5.27 0.06 0.00 1.01 -1.26 -2.35 120.40 122.89 3fye s VAL 231 Ca 0.19 0.52 -0.36 0.00 0.00 0.00 0.00 61.98 62.33 3fye s VAL 231 Cb -0.15 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 3fye s VAL 231 CO -0.06 0.31 1.48 -2.65 0.00 0.00 0.00 175.10 174.18 3fye n PRO 232 N 4.21 1.50 -0.17 2.72 -0.02 -1.22 -1.87 135.00 140.14 3fye n PRO 232 Ca -0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3fye n PRO 232 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3fye n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fye n GLY 233 N 3.07 0.95 3.18 -1.23 0.00 -1.26 -4.93 105.19 104.96 3fye n GLY 233 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3fye n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fye s ARG 234 N -0.61 1.45 -0.36 1.61 0.52 -0.78 -5.11 118.95 115.67 3fye s ARG 234 Ca 0.00 -0.65 -0.05 0.00 -0.52 0.00 0.00 55.73 54.51 3fye s ARG 234 Cb 0.00 -1.41 0.07 0.00 0.52 0.00 0.00 34.95 34.13 3fye s ARG 234 CO 0.00 0.39 0.12 -1.17 0.02 0.00 0.00 175.30 174.66 3fye s LEU 235 N -0.45 4.56 0.10 2.53 2.96 -1.26 -4.35 118.68 122.76 3fye s LEU 235 Ca 0.07 -1.46 0.03 0.00 -0.22 0.00 0.00 54.13 52.55 3fye s LEU 235 Cb -0.07 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3fye s LEU 235 CO -0.01 -0.39 0.13 0.00 -1.32 0.00 0.00 176.35 174.76 3fye s ALA 236 N 1.30 3.66 0.19 5.97 0.00 -0.59 -4.87 121.76 127.42 3fye s ALA 236 Ca 0.01 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.02 3fye s ALA 236 Cb -0.21 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 3fye s ALA 236 CO -0.00 0.68 -0.08 -0.65 0.00 0.00 0.00 175.76 175.71 3fye s GLN 237 N -2.65 2.10 0.18 0.00 -0.21 -1.26 0.74 119.66 118.56 3fye s GLN 237 Ca 0.31 -1.30 -0.09 0.00 0.02 0.00 0.00 55.36 54.30 3fye s GLN 237 Cb -0.12 -2.16 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 3fye s GLN 237 CO 0.24 0.42 0.32 -0.48 -2.12 0.00 0.00 175.29 173.66 3fye s LEU 238 N -2.97 0.83 0.05 2.90 0.05 -0.44 -4.98 118.68 114.12 3fye s LEU 238 Ca 0.26 -0.90 -0.01 0.00 0.05 0.00 0.00 54.13 53.53 3fye s LEU 238 Cb -0.08 1.27 -0.04 0.00 -2.05 0.00 0.00 46.19 45.29 3fye s LEU 238 CO 0.16 -0.94 -0.03 -1.66 -0.55 0.00 0.00 176.35 173.33 3fye s TRP 239 N -3.98 0.48 0.06 3.48 1.48 -1.26 -1.05 118.94 118.14 3fye s TRP 239 Ca 0.19 -0.97 -0.15 0.00 -1.06 0.00 0.00 56.10 54.11 3fye s TRP 239 Cb 0.03 -0.36 0.03 0.00 -1.16 0.00 0.00 33.47 32.01 3fye s TRP 239 CO 0.02 -0.34 0.35 -0.59 -4.06 0.00 0.00 176.95 172.32 3fye s PHE 240 N -3.49 -0.15 -0.23 1.66 -0.71 -0.68 -4.93 117.98 109.45 3fye s PHE 240 Ca 0.03 -0.00 0.01 0.00 -1.04 0.00 0.00 56.93 55.92 3fye s PHE 240 Cb 0.05 0.15 0.06 0.00 -1.21 0.00 0.00 43.02 42.07 3fye s PHE 240 CO -0.08 -0.56 -0.06 0.50 -1.34 0.00 0.00 175.22 173.68 3fye s ARG 241 N -2.83 1.64 0.11 1.99 3.52 -1.26 -0.85 118.95 121.27 3fye s ARG 241 Ca -0.03 -0.96 -0.31 0.00 -0.13 0.00 0.00 55.73 54.30 3fye s ARG 241 Cb 0.00 -2.56 -0.07 0.00 -1.56 0.00 0.00 34.95 30.76 3fye s ARG 241 CO -0.05 -0.58 1.25 0.00 -0.81 0.00 0.00 175.30 175.11 3fye s ALA 242 N 1.40 3.46 -2.04 6.12 0.00 -1.26 -4.09 121.76 125.35 3fye s ALA 242 Ca -0.05 0.95 0.21 0.00 0.00 0.00 0.00 51.96 53.07 3fye s ALA 242 Cb -0.19 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3fye s ALA 242 CO -0.06 -0.47 1.05 0.39 0.00 0.00 0.00 175.76 176.67 3fye n GLU 243 N 3.57 1.50 -3.68 0.00 1.02 0.12 -0.14 120.64 123.03 3fye n GLU 243 Ca 0.08 -1.12 -0.11 0.00 -0.02 0.00 0.00 57.16 55.99 3fye n GLU 243 Cb 0.45 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 3fye n GLU 243 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3fye s ARG 244 N -2.20 0.97 0.54 3.49 1.70 -1.26 -4.89 118.95 117.30 3fye s ARG 244 Ca 0.19 -0.59 -0.16 0.00 -0.47 0.00 0.00 55.73 54.70 3fye s ARG 244 Cb 0.17 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.91 3fye s ARG 244 CO 0.47 -0.35 1.01 -1.21 -1.08 0.00 0.00 175.30 174.13 3fye s GLU 245 N -3.20 3.77 0.00 3.89 2.02 -1.26 -4.85 118.70 119.06 3fye s GLU 245 Ca -0.01 1.02 0.00 0.00 0.02 0.00 0.00 54.97 56.00 3fye s GLU 245 Cb 0.01 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.13 3fye s GLU 245 CO -0.08 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.19 3fye n GLY 246 N -1.45 -0.02 3.57 -1.39 0.00 -0.56 -4.73 105.19 100.61 3fye n GLY 246 Ca 0.07 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 3fye n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fye s ILE 247 N -2.30 4.10 -0.05 -0.61 1.01 0.08 -0.96 121.20 122.47 3fye s ILE 247 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3fye s ILE 247 Cb 0.00 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.72 3fye s ILE 247 CO 0.00 0.53 -0.03 -0.36 0.00 0.00 0.00 174.94 175.08 3fye s PHE 248 N -0.08 0.70 0.03 3.97 0.08 -0.41 -1.49 117.98 120.79 3fye s PHE 248 Ca 0.03 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.92 3fye s PHE 248 Cb -0.13 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 3fye s PHE 248 CO 0.02 -0.22 -0.03 -0.06 -0.10 0.00 0.00 175.22 174.83 3fye s PHE 249 N 1.18 2.95 0.25 0.36 0.08 0.26 -0.89 117.98 122.16 3fye s PHE 249 Ca -0.07 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 56.98 3fye s PHE 249 Cb -0.14 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 3fye s PHE 249 CO -0.01 0.43 0.10 0.20 -0.10 0.00 0.00 175.22 175.84 3fye s GLY 250 N -1.75 1.69 0.02 4.36 0.00 -0.17 -4.21 107.32 107.25 3fye s GLY 250 Ca 0.20 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 43.10 3fye s GLY 250 CO 0.12 -1.57 -0.06 1.20 0.00 0.00 0.00 173.10 172.79 3fye s GLN 251 N -4.05 0.44 0.11 2.90 -0.21 -1.26 -0.10 119.66 117.49 3fye s GLN 251 Ca 0.38 -0.51 -0.35 0.00 0.02 0.00 0.00 55.36 54.89 3fye s GLN 251 Cb 0.08 -0.27 -0.15 0.00 1.00 0.00 0.00 33.01 33.66 3fye s GLN 251 CO 0.13 0.06 1.46 0.00 -2.12 0.00 0.00 175.29 174.82 3fye n SER 253 N 3.03 1.74 -3.71 0.00 7.64 -0.63 -4.88 113.62 116.81 3fye n SER 253 Ca 0.18 -3.45 -0.16 0.00 1.01 0.00 0.00 58.87 56.45 3fye n SER 253 Cb 0.23 -0.47 -0.15 0.00 -1.01 0.00 0.00 64.21 62.81 3fye n SER 253 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fye s GLU 254 N -2.72 0.04 -0.05 1.43 2.56 -1.26 -4.66 118.70 114.04 3fye s GLU 254 Ca 0.35 0.44 -0.36 0.00 0.00 0.00 0.00 54.97 55.39 3fye s GLU 254 Cb 0.33 -0.26 -0.14 0.00 2.00 0.00 0.00 34.13 36.07 3fye s GLU 254 CO -0.05 -0.24 1.68 -0.11 -0.56 0.00 0.00 175.26 175.98 3fye n LEU 255 N 4.78 2.78 -0.10 2.70 7.94 -1.26 -4.50 117.00 129.33 3fye n LEU 255 Ca -0.15 1.05 0.01 0.00 -1.11 0.00 0.00 56.01 55.81 3fye n LEU 255 Cb 0.51 -1.29 0.02 0.00 0.53 0.00 0.00 43.42 43.18 3fye n LEU 255 CO 0.11 -0.38 0.36 0.00 -1.11 0.00 0.00 177.39 176.38 3fye n GLY 257 N -0.33 0.04 0.32 0.00 0.00 -1.26 -4.81 105.19 99.16 3fye n GLY 257 Ca 0.02 -2.18 0.08 0.00 0.00 0.00 0.00 46.02 43.95 3fye n GLY 257 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fye h ILE 258 N 0.00 0.99 -0.18 -0.61 2.10 -2.03 -2.72 117.51 115.05 3fye h ILE 258 Ca 0.00 -0.14 -0.07 0.00 1.08 0.00 0.00 64.86 65.73 3fye h ILE 258 Cb 0.00 0.55 -0.04 0.00 -1.09 0.00 0.00 36.82 36.24 3fye h ILE 258 CO 0.00 0.07 -0.16 -1.20 -1.08 0.00 0.00 178.15 175.79 3fye n SER 259 N -4.48 2.50 -0.32 2.19 7.64 -1.26 -4.66 113.62 115.22 3fye n SER 259 Ca 0.05 -3.55 0.17 0.00 1.01 0.00 0.00 58.87 56.55 3fye n SER 259 Cb 0.22 -0.55 0.33 0.00 -1.01 0.00 0.00 64.21 63.19 3fye n SER 259 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3fye h HIS 260 N 0.95 0.20 0.00 1.43 6.17 -1.80 0.75 115.15 122.86 3fye h HIS 260 Ca 0.08 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.22 3fye h HIS 260 Cb 1.33 0.07 0.00 0.00 2.52 0.00 0.00 27.41 31.33 3fye h HIS 260 CO 0.67 -0.37 0.00 0.00 0.71 0.00 0.00 177.93 178.94 3fye n ALA 261 N -2.87 1.85 -2.28 5.26 0.00 -1.26 -4.06 120.51 117.15 3fye n ALA 261 Ca 0.25 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 3fye n ALA 261 Cb 0.81 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 19.03 3fye n ALA 261 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fye n TYR 262 N -1.44 1.58 -3.12 0.00 4.01 0.26 -4.86 117.16 113.58 3fye n TYR 262 Ca 0.05 -1.90 -0.21 0.00 -0.16 0.00 0.00 57.90 55.68 3fye n TYR 262 Cb 0.19 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 38.90 3fye n TYR 262 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fye n MET 263 N -0.60 0.76 -1.79 -0.72 0.00 -1.22 -4.49 117.12 109.05 3fye n MET 263 Ca 0.24 -3.01 -0.30 0.00 0.00 0.00 0.00 57.70 54.63 3fye n MET 263 Cb 0.89 -1.30 0.21 0.00 0.00 0.00 0.00 33.22 33.03 3fye n MET 263 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3fye s PRO 264 N -1.05 0.05 -0.07 3.17 0.04 -1.26 -3.60 135.00 132.28 3fye s PRO 264 Ca 0.35 -0.46 0.03 0.00 0.04 0.00 0.00 61.00 60.96 3fye s PRO 264 Cb 0.20 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.97 3fye s PRO 264 CO -0.12 -2.81 -0.16 0.42 0.04 0.00 0.00 177.00 174.37 3fye s ILE 265 N -3.79 1.41 -0.16 0.56 1.01 0.85 -4.83 121.20 116.25 3fye s ILE 265 Ca 0.76 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3fye s ILE 265 Cb -0.03 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.20 3fye s ILE 265 CO 0.54 0.41 -0.20 -0.89 0.00 0.00 0.00 174.94 174.81 3fye s THR 266 N 0.54 1.98 -0.14 2.92 2.01 -1.26 -1.00 115.64 120.68 3fye s THR 266 Ca -0.15 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 3fye s THR 266 Cb -0.16 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 3fye s THR 266 CO 0.05 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 3fye s VAL 267 N 1.14 3.17 -0.22 3.82 1.01 -0.07 -0.89 120.40 128.37 3fye s VAL 267 Ca 0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3fye s VAL 267 Cb -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3fye s VAL 267 CO -0.09 0.51 0.02 -0.54 0.00 0.00 0.00 175.10 175.00 3fye s LYS 268 N 0.49 3.60 -0.24 2.72 1.02 0.74 -1.28 119.74 126.79 3fye s LYS 268 Ca -0.08 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 3fye s LYS 268 Cb -0.15 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 3fye s LYS 268 CO 0.04 -0.07 0.11 0.08 -0.92 0.00 0.00 175.35 174.60 3fye s VAL 269 N 1.22 4.90 0.36 3.17 1.01 -0.13 -0.88 120.40 130.05 3fye s VAL 269 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3fye s VAL 269 Cb -0.15 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3fye s VAL 269 CO 0.02 0.35 0.14 0.68 0.00 0.00 0.00 175.10 176.29 3fye s VAL 270 N 1.17 0.52 0.77 2.92 -7.23 -0.12 -1.50 120.40 116.94 3fye s VAL 270 Ca 0.06 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 3fye s VAL 270 Cb -0.14 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.41 3fye s VAL 270 CO 0.05 0.00 1.15 -0.94 -0.31 0.00 0.00 175.10 175.05 3fye s SER 271 N -3.50 4.08 0.37 4.85 1.04 -1.26 -0.34 113.70 118.93 3fye s SER 271 Ca 0.30 2.14 0.13 0.00 0.48 0.00 0.00 55.95 59.01 3fye s SER 271 Cb 0.04 -2.56 0.96 0.00 0.10 0.00 0.00 66.02 64.55 3fye s SER 271 CO 0.17 -2.33 1.80 -0.33 0.98 0.00 0.00 173.24 173.53 3fye h GLU 272 N -0.82 0.53 0.14 4.02 5.08 -1.94 0.98 114.58 122.57 3fye h GLU 272 Ca -0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3fye h GLU 272 Cb 1.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3fye h GLU 272 CO 0.49 0.35 -0.07 0.93 -1.00 0.00 0.00 179.01 179.71 3fye h GLU 273 N 0.54 -0.18 -0.90 2.33 5.08 -1.99 -0.17 114.58 119.29 3fye h GLU 273 Ca 0.55 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.94 3fye h GLU 273 Cb 1.17 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 3fye h GLU 273 CO -0.30 0.17 0.59 0.00 -1.00 0.00 0.00 179.01 178.47 3fye h ALA 274 N 0.22 1.37 0.14 3.43 0.00 -1.84 0.12 119.26 122.69 3fye h ALA 274 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fye h ALA 274 Cb 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fye h ALA 274 CO 0.03 0.59 -0.07 -0.92 0.00 0.00 0.00 179.25 178.88 3fye h TYR 275 N 1.21 -0.17 -0.92 0.00 3.20 -0.70 -1.19 116.97 118.40 3fye h TYR 275 Ca 0.33 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 3fye h TYR 275 Cb -0.13 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 3fye h TYR 275 CO -0.00 -0.01 0.59 0.00 -1.64 0.00 0.00 178.16 177.10 3fye h ALA 276 N 0.55 1.24 -0.81 1.82 0.00 -0.69 -0.54 119.26 120.83 3fye h ALA 276 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3fye h ALA 276 Cb 0.23 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3fye h ALA 276 CO 0.03 0.43 0.50 0.00 0.00 0.00 0.00 179.25 180.21 3fye h ALA 277 N 1.39 1.08 -0.38 0.00 0.00 -0.56 -0.06 119.26 120.74 3fye h ALA 277 Ca 0.38 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3fye h ALA 277 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3fye h ALA 277 CO -0.14 0.28 0.11 2.35 0.00 0.00 0.00 179.25 181.85 3fye h TRP 278 N 0.95 0.62 -0.66 0.00 7.01 -0.46 -0.94 115.95 122.48 3fye h TRP 278 Ca 0.34 -0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.35 3fye h TRP 278 Cb 0.09 -0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 26.91 3fye h TRP 278 CO -0.03 0.60 0.34 -0.07 -2.79 0.00 0.00 178.44 176.48 3fye h LEU 279 N 0.47 0.46 -0.88 0.65 3.38 -0.48 -2.68 115.31 116.25 3fye h LEU 279 Ca 0.12 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3fye h LEU 279 Cb 0.27 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3fye h LEU 279 CO -0.00 0.29 -0.39 -0.08 0.09 0.00 0.00 178.44 178.34 3fye h GLU 280 N 0.61 0.35 -0.51 1.13 4.57 -0.74 -2.00 114.58 117.99 3fye h GLU 280 Ca 0.31 -0.16 0.10 0.00 -1.18 0.00 0.00 59.36 58.43 3fye h GLU 280 Cb 0.27 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 3fye h GLU 280 CO -0.23 0.69 0.35 1.96 -1.18 0.00 0.00 179.01 180.60 3fye h GLN 281 N 0.29 0.24 0.00 1.92 4.20 -0.85 -1.82 115.11 119.09 3fye h GLN 281 Ca 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fye h GLN 281 Cb 0.82 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3fye h GLN 281 CO 0.07 0.16 -0.46 0.45 -0.67 0.00 0.00 178.83 178.37 3fye h HIS 282 N 0.25 0.00 -2.95 2.96 3.86 -1.15 -3.47 115.15 114.65 3fye h HIS 282 Ca 0.24 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.90 3fye h HIS 282 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3fye h HIS 282 CO -0.00 0.00 0.81 -1.58 0.86 0.00 0.00 177.93 178.02 3fye s HIS 283 N -3.26 2.92 -0.15 2.45 5.04 -0.69 -5.00 115.29 116.60 3fye s HIS 283 Ca 0.04 0.93 -0.14 0.00 -1.54 0.00 0.00 55.06 54.35 3fye s HIS 283 Cb 0.08 -3.59 -0.05 0.00 0.04 0.00 0.00 32.58 29.07 3fye s HIS 283 CO 0.72 -2.11 0.31 -1.01 -2.34 0.00 0.00 174.74 170.31 3fye s HIS 284 N 2.48 3.47 -1.91 3.88 3.76 -1.26 -5.02 115.29 120.68 3fye s HIS 284 Ca 0.61 0.62 0.15 0.00 -0.15 0.00 0.00 55.06 56.30 3fye s HIS 284 Cb -0.29 -2.36 0.12 0.00 1.11 0.00 0.00 32.58 31.17 3fye s HIS 284 CO 0.24 0.24 0.98 0.72 -0.85 0.00 0.00 174.74 176.08