#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyi s GLU 31 N 0.00 4.49 -0.40 3.23 2.12 -1.26 -4.77 118.70 122.11 3fyi s GLU 31 Ca 0.00 1.77 -0.29 0.00 0.36 0.00 0.00 54.97 56.81 3fyi s GLU 31 Cb 0.00 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.10 3fyi s GLU 31 CO 0.00 -0.12 1.22 0.42 -0.54 0.00 0.00 175.26 176.23 3fyi s ILE 32 N 0.47 4.19 -0.07 -3.70 1.01 -1.26 -0.54 121.20 121.29 3fyi s ILE 32 Ca 0.55 1.27 -0.03 0.00 0.00 0.00 0.00 60.65 62.44 3fyi s ILE 32 Cb -0.30 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.74 3fyi s ILE 32 CO 0.32 -0.76 -0.08 -0.38 0.00 0.00 0.00 174.94 174.04 3fyi n ILE 33 N 6.59 0.37 -2.73 2.92 5.41 -0.36 -4.86 119.36 126.70 3fyi n ILE 33 Ca 0.13 -0.10 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 3fyi n ILE 33 Cb 0.48 -1.54 -0.00 0.00 -0.71 0.00 0.00 39.64 37.87 3fyi n ILE 33 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3fyi s GLY 34 N -5.09 1.94 0.02 7.39 0.00 -0.70 -4.51 107.32 106.37 3fyi s GLY 34 Ca -0.09 -3.08 -0.17 0.00 0.00 0.00 0.00 44.72 41.38 3fyi s GLY 34 CO 0.12 2.45 0.37 1.09 0.00 0.00 0.00 173.10 177.13 3fyi s ARG 35 N 3.17 0.81 0.62 2.90 3.03 -1.26 -0.77 118.95 127.46 3fyi s ARG 35 Ca 0.49 -0.30 -0.17 0.00 2.03 0.00 0.00 55.73 57.78 3fyi s ARG 35 Cb 0.01 0.36 -0.02 0.00 -1.03 0.00 0.00 34.95 34.27 3fyi s ARG 35 CO 0.04 -0.26 1.17 -1.25 -1.13 0.00 0.00 175.30 173.87 3fyi s PRO 36 N -2.00 2.86 0.13 3.89 0.04 -1.26 -4.78 135.00 133.87 3fyi s PRO 36 Ca -0.08 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.71 3fyi s PRO 36 Cb -0.02 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3fyi s PRO 36 CO 0.01 -1.25 -0.17 -0.65 0.04 0.00 0.00 177.00 174.97 3fyi s GLN 37 N -3.61 1.80 0.17 4.56 -0.21 -1.26 -5.09 119.66 116.03 3fyi s GLN 37 Ca 0.73 -1.20 -0.33 0.00 0.02 0.00 0.00 55.36 54.58 3fyi s GLN 37 Cb -0.26 -2.11 -0.13 0.00 1.00 0.00 0.00 33.01 31.50 3fyi s GLN 37 CO 0.36 0.47 1.62 -2.30 -2.12 0.00 0.00 175.29 173.32 3fyi n PRO 38 N 0.71 2.32 -1.05 2.91 -0.02 -1.26 -1.63 135.00 136.97 3fyi n PRO 38 Ca -0.15 0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 62.15 3fyi n PRO 38 Cb 0.53 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 3fyi n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 39 N 3.57 0.40 3.73 -1.23 0.00 -1.26 -4.97 105.19 105.43 3fyi n GLY 39 Ca 0.17 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3fyi n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyi n GLY 40 N -1.01 1.14 0.00 -0.02 0.00 -0.65 -4.90 105.19 99.74 3fyi n GLY 40 Ca -0.02 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.44 3fyi n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fyi n THR 41 N 1.63 0.00 -3.57 2.61 -2.24 -1.26 -5.03 114.28 106.42 3fyi n THR 41 Ca 0.07 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 3fyi n THR 41 Cb 0.36 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 69.44 3fyi n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fyi n GLY 42 N 1.45 2.57 3.74 3.38 0.00 -1.26 -5.11 105.19 109.95 3fyi n GLY 42 Ca 0.00 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.43 3fyi n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyi s PHE 43 N -2.00 2.23 0.69 1.61 0.08 -1.26 -5.02 117.98 114.30 3fyi s PHE 43 Ca 0.31 1.58 -0.16 0.00 0.12 0.00 0.00 56.93 58.77 3fyi s PHE 43 Cb -0.02 -3.40 0.02 0.00 -0.57 0.00 0.00 43.02 39.04 3fyi s PHE 43 CO 0.19 -2.34 1.22 -0.65 -0.10 0.00 0.00 175.22 173.54 3fyi s GLN 44 N -3.88 2.37 0.65 0.44 -0.21 -1.26 -4.95 119.66 112.82 3fyi s GLN 44 Ca 0.73 1.80 -0.17 0.00 0.02 0.00 0.00 55.36 57.74 3fyi s GLN 44 Cb -0.27 -1.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 3fyi s GLN 44 CO 0.43 -1.67 1.02 -2.30 -2.12 0.00 0.00 175.29 170.65 3fyi n PRO 45 N -2.39 0.82 -2.84 2.91 -0.02 -1.26 -4.82 135.00 127.39 3fyi n PRO 45 Ca 0.14 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.54 3fyi n PRO 45 Cb 0.50 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3fyi n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fyi s SER 46 N -1.39 7.49 -0.01 2.55 0.15 -1.26 -4.35 113.70 116.88 3fyi s SER 46 Ca 0.77 1.77 0.01 0.00 0.70 0.00 0.00 55.95 59.20 3fyi s SER 46 Cb -0.39 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.38 3fyi s SER 46 CO 0.46 0.11 0.71 0.00 1.20 0.00 0.00 173.24 175.72 3fyi n ALA 47 N 1.97 1.43 -2.37 5.45 0.00 -0.51 -4.99 120.51 121.47 3fyi n ALA 47 Ca -0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 53.44 52.55 3fyi n ALA 47 Cb 0.48 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 3fyi n ALA 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fyi s SER 48 N -0.50 0.34 0.40 0.00 1.04 -1.24 0.13 113.70 113.87 3fyi s SER 48 Ca 0.02 -0.80 0.13 0.00 0.48 0.00 0.00 55.95 55.78 3fyi s SER 48 Cb 0.01 0.22 0.83 0.00 0.10 0.00 0.00 66.02 67.19 3fyi s SER 48 CO 0.00 -0.58 1.89 1.55 0.98 0.00 0.00 173.24 177.08 3fyi h PRO 49 N 3.29 0.01 -0.33 4.02 0.13 -1.91 -2.30 132.00 134.91 3fyi h PRO 49 Ca -0.34 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 3fyi h PRO 49 Cb 1.17 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3fyi h PRO 49 CO 0.59 0.30 -0.09 0.28 -0.23 0.00 0.00 178.00 178.85 3fyi h VAL 50 N 0.00 1.28 -0.34 1.56 2.07 -1.92 -2.06 116.25 116.85 3fyi h VAL 50 Ca -0.00 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.42 3fyi h VAL 50 Cb 0.52 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3fyi h VAL 50 CO 0.04 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.11 3fyi h ALA 51 N 0.80 0.39 -0.99 1.67 0.00 -1.59 -0.88 119.26 118.66 3fyi h ALA 51 Ca 0.08 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3fyi h ALA 51 Cb 0.58 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3fyi h ALA 51 CO 0.03 -0.28 0.62 1.15 0.00 0.00 0.00 179.25 180.77 3fyi h THR 52 N 0.25 0.89 -0.21 0.00 2.02 -1.36 -0.31 112.91 114.19 3fyi h THR 52 Ca 0.15 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 3fyi h THR 52 Cb 0.13 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3fyi h THR 52 CO -0.16 0.17 -0.40 1.56 0.37 0.00 0.00 175.52 177.06 3fyi h GLN 53 N 0.93 0.48 -0.08 6.66 4.20 -0.59 -1.33 115.11 125.38 3fyi h GLN 53 Ca 0.50 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 3fyi h GLN 53 Cb 0.56 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3fyi h GLN 53 CO -0.27 0.80 -0.00 0.82 -0.67 0.00 0.00 178.83 179.52 3fyi h ILE 54 N 0.40 1.25 -0.40 2.54 2.04 -0.29 -1.43 117.51 121.61 3fyi h ILE 54 Ca 0.04 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.16 3fyi h ILE 54 Cb 0.87 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3fyi h ILE 54 CO 0.07 0.22 0.10 0.45 0.00 0.00 0.00 178.15 179.00 3fyi h HIS 55 N -0.15 0.18 0.28 1.37 3.86 -0.98 0.30 115.15 120.01 3fyi h HIS 55 Ca 0.02 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3fyi h HIS 55 Cb 0.35 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 3fyi h HIS 55 CO 0.03 0.04 -0.15 2.35 0.86 0.00 0.00 177.93 181.07 3fyi h TRP 56 N 0.24 -0.39 -0.20 2.45 7.01 -1.22 -0.69 115.95 123.16 3fyi h TRP 56 Ca 0.19 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 3fyi h TRP 56 Cb 0.21 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 3fyi h TRP 56 CO -0.18 -0.24 0.12 1.25 -2.79 0.00 0.00 178.44 176.60 3fyi h LEU 57 N -0.40 0.24 -0.78 0.65 5.85 -0.96 -0.26 115.31 119.66 3fyi h LEU 57 Ca -0.03 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3fyi h LEU 57 Cb 0.32 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3fyi h LEU 57 CO 0.05 0.24 0.48 -0.78 -0.34 0.00 0.00 178.44 178.08 3fyi h ASP 58 N 0.23 0.75 -0.03 1.25 3.58 -0.95 -1.01 116.42 120.24 3fyi h ASP 58 Ca 0.07 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 3fyi h ASP 58 Cb 0.04 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3fyi h ASP 58 CO -0.01 0.49 -0.14 1.23 -2.88 0.00 0.00 179.24 177.93 3fyi h GLY 59 N 0.89 0.38 0.77 -0.78 0.00 -0.58 0.15 103.07 103.90 3fyi h GLY 59 Ca 0.34 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 3fyi h GLY 59 CO -0.16 0.23 -0.31 -2.75 0.00 0.00 0.00 176.54 173.55 3fyi h PHE 60 N 0.33 0.54 -0.31 5.60 3.04 -0.64 -3.03 116.94 122.47 3fyi h PHE 60 Ca 0.06 -0.21 -0.11 0.00 3.98 0.00 0.00 57.97 61.69 3fyi h PHE 60 Cb 0.45 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 3fyi h PHE 60 CO 0.01 0.93 -0.25 0.82 -2.02 0.00 0.00 178.31 177.80 3fyi h ILE 61 N 0.00 1.27 -0.75 1.41 2.04 -1.03 -3.15 117.51 117.30 3fyi h ILE 61 Ca -0.01 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 3fyi h ILE 61 Cb 0.92 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 3fyi h ILE 61 CO 0.07 0.43 0.39 0.25 0.00 0.00 0.00 178.15 179.28 3fyi h LEU 62 N 0.54 0.94 -0.21 1.44 5.85 -0.72 0.87 115.31 124.02 3fyi h LEU 62 Ca 0.07 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3fyi h LEU 62 Cb 0.72 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3fyi h LEU 62 CO 0.06 0.77 0.10 0.58 -0.34 0.00 0.00 178.44 179.61 3fyi h VAL 63 N 1.05 1.14 -0.13 1.05 2.07 -1.50 -0.32 116.25 119.62 3fyi h VAL 63 Ca 0.26 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3fyi h VAL 63 Cb 0.06 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3fyi h VAL 63 CO -0.04 0.14 0.05 0.40 0.02 0.00 0.00 177.57 178.14 3fyi h ILE 64 N 0.21 0.98 0.00 4.57 2.04 -1.42 -1.68 117.51 122.22 3fyi h ILE 64 Ca 0.07 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 3fyi h ILE 64 Cb 0.13 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3fyi h ILE 64 CO -0.01 0.02 -0.50 0.16 0.00 0.00 0.00 178.15 177.83 3fyi h ILE 65 N 0.12 1.02 -0.44 -0.67 3.07 -0.80 -1.85 117.51 117.96 3fyi h ILE 65 Ca 0.05 -1.95 -0.09 0.00 1.55 0.00 0.00 64.86 64.42 3fyi h ILE 65 Cb 0.02 2.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 3fyi h ILE 65 CO -0.05 0.49 -0.08 0.00 -1.05 0.00 0.00 178.15 177.46 3fyi h ALA 66 N 1.50 0.60 0.22 0.16 0.00 -0.97 -1.63 119.26 119.14 3fyi h ALA 66 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3fyi h ALA 66 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3fyi h ALA 66 CO 0.06 0.47 -0.10 0.00 0.00 0.00 0.00 179.25 179.68 3fyi h ALA 67 N 0.87 -0.29 -0.34 0.00 0.00 -1.11 0.28 119.26 118.67 3fyi h ALA 67 Ca 0.11 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3fyi h ALA 67 Cb 0.61 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3fyi h ALA 67 CO 0.04 -0.66 -0.12 0.82 0.00 0.00 0.00 179.25 179.33 3fyi h ILE 68 N -0.29 0.59 -0.65 0.00 2.04 -1.37 0.24 117.51 118.06 3fyi h ILE 68 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 3fyi h ILE 68 Cb 0.23 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3fyi h ILE 68 CO 0.05 0.00 0.10 0.74 0.00 0.00 0.00 178.15 179.04 3fyi h THR 69 N -0.05 1.26 -0.25 -0.27 2.02 -1.14 0.16 112.91 114.65 3fyi h THR 69 Ca 0.17 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 3fyi h THR 69 Cb 0.30 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3fyi h THR 69 CO -0.37 0.39 -0.06 0.40 0.37 0.00 0.00 175.52 176.25 3fyi h ILE 70 N 1.01 1.28 0.02 3.11 2.04 -0.72 -2.10 117.51 122.16 3fyi h ILE 70 Ca 0.20 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.02 3fyi h ILE 70 Cb 0.45 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3fyi h ILE 70 CO 0.01 0.33 -0.25 0.15 0.00 0.00 0.00 178.15 178.40 3fyi h PHE 71 N 0.22 -0.67 -0.74 1.37 -0.00 -0.25 -0.20 116.94 116.66 3fyi h PHE 71 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.05 3fyi h PHE 71 Cb 0.53 0.30 -0.04 0.00 -0.00 0.00 0.00 35.95 36.74 3fyi h PHE 71 CO 0.05 -0.34 0.47 0.28 -0.00 0.00 0.00 178.31 178.77 3fyi h VAL 72 N -0.40 1.20 -0.39 1.41 2.07 -1.02 -0.95 116.25 118.18 3fyi h VAL 72 Ca 0.06 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3fyi h VAL 72 Cb 0.47 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3fyi h VAL 72 CO -0.21 0.20 0.03 0.74 0.02 0.00 0.00 177.57 178.35 3fyi h THR 73 N 1.01 1.25 -0.66 2.57 2.02 -1.10 -1.18 112.91 116.83 3fyi h THR 73 Ca 0.27 -0.93 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 3fyi h THR 73 Cb -0.08 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3fyi h THR 73 CO -0.05 0.32 0.08 -0.07 0.37 0.00 0.00 175.52 176.16 3fyi h LEU 74 N 0.50 1.06 -0.27 2.58 3.38 -0.87 -0.96 115.31 120.74 3fyi h LEU 74 Ca 0.11 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fyi h LEU 74 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fyi h LEU 74 CO 0.01 1.07 0.15 -0.07 0.09 0.00 0.00 178.44 179.69 3fyi h LEU 75 N 1.02 0.25 -0.12 1.67 3.38 -1.03 0.30 115.31 120.78 3fyi h LEU 75 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3fyi h LEU 75 Cb 0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3fyi h LEU 75 CO 0.02 0.18 0.05 0.40 0.09 0.00 0.00 178.44 179.18 3fyi h ILE 76 N 0.32 1.14 -0.48 1.22 2.04 -1.04 0.35 117.51 121.06 3fyi h ILE 76 Ca 0.10 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3fyi h ILE 76 Cb -0.00 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3fyi h ILE 76 CO -0.05 0.13 -0.03 -0.07 0.00 0.00 0.00 178.15 178.13 3fyi h LEU 77 N 0.05 0.79 0.08 1.44 3.38 -1.14 -1.86 115.31 118.05 3fyi h LEU 77 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3fyi h LEU 77 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3fyi h LEU 77 CO -0.00 0.87 -0.04 0.22 0.09 0.00 0.00 178.44 179.58 3fyi h TYR 78 N 0.75 -0.10 -0.88 1.13 5.03 -0.79 -1.57 116.97 120.55 3fyi h TYR 78 Ca 0.14 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.54 3fyi h TYR 78 Cb 0.50 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.75 3fyi h TYR 78 CO 0.03 0.22 0.57 0.00 -1.32 0.00 0.00 178.16 177.65 3fyi h ALA 79 N 0.46 1.65 -0.25 1.82 0.00 -0.86 0.20 119.26 122.27 3fyi h ALA 79 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3fyi h ALA 79 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fyi h ALA 79 CO 0.02 0.17 -0.46 0.28 0.00 0.00 0.00 179.25 179.26 3fyi h VAL 80 N 0.87 1.30 0.22 0.00 2.07 -1.29 -0.64 116.25 118.78 3fyi h VAL 80 Ca 0.41 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3fyi h VAL 80 Cb 0.41 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3fyi h VAL 80 CO -0.17 0.53 -0.11 -0.25 0.02 0.00 0.00 177.57 177.59 3fyi h TRP 81 N 0.52 -0.27 -0.19 1.57 7.01 -0.27 -3.04 115.95 121.27 3fyi h TRP 81 Ca 0.03 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3fyi h TRP 81 Cb 1.00 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.14 3fyi h TRP 81 CO 0.05 0.12 0.06 -0.09 -2.79 0.00 0.00 178.44 175.78 3fyi h ARG 82 N -0.86 0.30 -0.55 2.65 9.65 -0.72 -3.25 114.38 121.60 3fyi h ARG 82 Ca -0.03 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.70 3fyi h ARG 82 Cb 0.51 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.00 3fyi h ARG 82 CO 0.05 0.42 0.09 1.19 2.80 0.00 0.00 179.97 184.52 3fyi n PHE 83 N -4.79 1.89 -1.67 2.20 3.72 -0.25 -4.24 117.46 114.32 3fyi n PHE 83 Ca -0.04 -0.98 -0.37 0.00 -0.05 0.00 0.00 57.45 56.01 3fyi n PHE 83 Cb 0.16 -0.53 0.07 0.00 -0.94 0.00 0.00 39.48 38.24 3fyi n PHE 83 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3fyi s HIS 84 N -2.90 2.05 0.25 1.38 5.65 -1.15 -4.66 115.29 115.91 3fyi s HIS 84 Ca 0.51 1.50 -0.05 0.00 0.25 0.00 0.00 55.06 57.28 3fyi s HIS 84 Cb 0.41 -3.67 0.29 0.00 -1.18 0.00 0.00 32.58 28.42 3fyi s HIS 84 CO 0.12 -2.92 1.93 1.05 -0.65 0.00 0.00 174.74 174.27 3fyi h GLU 85 N 0.38 1.29 -0.58 2.88 4.11 -1.90 0.43 114.58 121.20 3fyi h GLU 85 Ca -0.50 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.85 3fyi h GLU 85 Cb 1.33 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 3fyi h GLU 85 CO 0.52 0.85 0.36 0.87 0.07 0.00 0.00 179.01 181.69 3fyi h LYS 86 N 1.33 0.77 0.21 1.06 1.57 -1.98 -3.23 116.57 116.31 3fyi h LYS 86 Ca 0.38 -0.06 -0.33 0.00 -1.87 0.00 0.00 60.65 58.77 3fyi h LYS 86 Cb -0.11 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.05 3fyi h LYS 86 CO -0.09 0.54 -1.53 -0.09 -0.57 0.00 0.00 179.45 177.70 3fyi h ARG 87 N 0.78 0.44 -4.63 3.15 2.43 -1.77 -3.43 114.38 111.36 3fyi h ARG 87 Ca 0.21 -0.76 -0.64 0.00 -0.81 0.00 0.00 59.98 57.98 3fyi h ARG 87 Cb -0.05 0.28 -0.37 0.00 -0.42 0.00 0.00 29.97 29.41 3fyi h ARG 87 CO -0.04 1.35 -0.80 1.21 -1.51 0.00 0.00 179.97 180.19 3fyi s ASN 88 N -7.40 4.07 -0.02 -3.80 2.47 0.15 -4.99 114.94 105.42 3fyi s ASN 88 Ca -0.10 -1.24 0.22 0.00 0.42 0.00 0.00 52.86 52.16 3fyi s ASN 88 Cb 0.05 -1.36 -0.30 0.00 -1.45 0.00 0.00 41.25 38.19 3fyi s ASN 88 CO 0.91 -0.20 0.52 0.29 -3.72 0.00 0.00 177.10 174.89 3fyi n LYS 89 N 4.56 0.66 -3.93 0.43 5.02 -1.23 -3.99 118.16 119.67 3fyi n LYS 89 Ca -0.13 -0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 55.66 3fyi n LYS 89 Cb 0.43 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 3fyi n LYS 89 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fyi s VAL 90 N -3.43 2.91 0.39 -0.18 1.01 -1.26 -5.09 120.40 114.74 3fyi s VAL 90 Ca -0.07 -1.38 -0.26 0.00 0.00 0.00 0.00 61.98 60.27 3fyi s VAL 90 Cb 0.13 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 3fyi s VAL 90 CO 0.89 -0.08 1.17 -2.16 0.00 0.00 0.00 175.10 174.92 3fyi s PRO 91 N 1.24 4.11 1.04 2.72 0.04 -1.26 -5.05 135.00 137.84 3fyi s PRO 91 Ca -0.05 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 3fyi s PRO 91 Cb -0.20 -2.72 0.22 0.00 0.04 0.00 0.00 34.50 31.84 3fyi s PRO 91 CO -0.02 -0.28 1.17 0.00 0.04 0.00 0.00 177.00 177.92 3fyi s ALA 92 N -1.39 1.37 0.00 8.56 0.00 -1.26 -5.03 121.76 124.00 3fyi s ALA 92 Ca 0.56 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3fyi s ALA 92 Cb -0.31 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3fyi s ALA 92 CO 0.39 -2.87 0.53 0.54 0.00 0.00 0.00 175.76 174.35 3fyi n ARG 93 N -4.19 0.42 -1.97 0.00 1.74 -1.26 -5.07 116.66 106.33 3fyi n ARG 93 Ca 0.11 -0.66 -0.40 0.00 -0.77 0.00 0.00 57.85 56.13 3fyi n ARG 93 Cb 0.59 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 3fyi n ARG 93 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3fyi s PHE 94 N -0.27 2.71 0.00 -1.55 -0.12 -1.26 -4.92 117.98 112.58 3fyi s PHE 94 Ca 0.00 1.36 0.00 0.00 -0.05 0.00 0.00 56.93 58.24 3fyi s PHE 94 Cb 0.00 -3.75 0.00 0.00 -0.63 0.00 0.00 43.02 38.64 3fyi s PHE 94 CO 0.00 -2.36 0.44 0.25 -0.05 0.00 0.00 175.22 173.51 3fyi n THR 95 N 0.06 0.15 -4.13 -4.49 -2.24 -1.26 -5.09 114.28 97.28 3fyi n THR 95 Ca 0.04 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3fyi n THR 95 Cb 0.43 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.75 3fyi n THR 95 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fyi s HIS 96 N -0.15 0.75 -0.34 4.78 3.76 -1.26 -5.11 115.29 117.72 3fyi s HIS 96 Ca 0.00 -1.16 -0.07 0.00 -0.15 0.00 0.00 55.06 53.68 3fyi s HIS 96 Cb 0.00 -0.46 0.21 0.00 1.11 0.00 0.00 32.58 33.45 3fyi s HIS 96 CO 0.00 -0.45 1.10 1.21 -0.85 0.00 0.00 174.74 175.76 3fyi s ASN 97 N -3.00 -0.27 0.18 1.40 3.84 -1.26 -5.10 114.94 110.72 3fyi s ASN 97 Ca 0.17 -0.31 -0.23 0.00 0.21 0.00 0.00 52.86 52.71 3fyi s ASN 97 Cb 0.08 0.35 0.08 0.00 -0.55 0.00 0.00 41.25 41.20 3fyi s ASN 97 CO -0.03 -0.01 1.58 0.28 -2.79 0.00 0.00 177.10 176.13 3fyi h SER 98 N 4.26 -1.26 -0.95 -4.21 0.02 -1.99 -0.77 113.55 108.64 3fyi h SER 98 Ca -0.01 0.23 0.16 0.00 -0.84 0.00 0.00 61.79 61.33 3fyi h SER 98 Cb 1.17 0.60 -0.08 0.00 0.14 0.00 0.00 62.40 64.23 3fyi h SER 98 CO -0.11 -0.32 0.60 -0.65 -1.14 0.00 0.00 176.83 175.21 3fyi h PRO 99 N -0.21 0.73 -0.04 3.45 0.11 -1.99 -0.79 132.00 133.25 3fyi h PRO 99 Ca 0.20 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3fyi h PRO 99 Cb 0.56 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.51 3fyi h PRO 99 CO -0.65 0.48 -0.45 1.25 -0.21 0.00 0.00 178.00 178.42 3fyi h LEU 100 N 0.75 0.47 -1.24 2.35 5.85 -1.68 -2.24 115.31 119.57 3fyi h LEU 100 Ca 0.50 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3fyi h LEU 100 Cb 0.78 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3fyi h LEU 100 CO -0.26 1.10 0.14 -0.33 -0.34 0.00 0.00 178.44 178.75 3fyi h GLU 101 N -0.12 0.67 -0.10 1.25 5.08 -0.86 0.12 114.58 120.63 3fyi h GLU 101 Ca -0.04 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3fyi h GLU 101 Cb 1.13 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3fyi h GLU 101 CO 0.09 0.58 -0.37 0.82 -1.00 0.00 0.00 179.01 179.14 3fyi h ILE 102 N 0.66 1.39 -0.38 3.13 1.08 -1.22 -3.07 117.51 119.10 3fyi h ILE 102 Ca 0.15 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 3fyi h ILE 102 Cb 0.20 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 3fyi h ILE 102 CO -0.01 0.50 0.20 0.00 -0.69 0.00 0.00 178.15 178.16 3fyi h ALA 103 N 0.47 0.48 0.00 1.87 0.00 -1.10 -1.37 119.26 119.62 3fyi h ALA 103 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fyi h ALA 103 Cb 1.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fyi h ALA 103 CO 0.08 0.02 0.00 -2.67 0.00 0.00 0.00 179.25 176.68 3fyi n TRP 104 N -4.74 0.00 -0.10 0.00 2.14 0.39 -1.48 117.44 113.64 3fyi n TRP 104 Ca -0.00 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.44 3fyi n TRP 104 Cb 0.09 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.46 3fyi n TRP 104 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3fyi n THR 105 N -0.87 1.27 -0.03 -1.67 -1.04 -0.94 -4.50 114.28 106.51 3fyi n THR 105 Ca 0.15 -0.61 -0.14 0.00 -2.04 0.00 0.00 64.05 61.40 3fyi n THR 105 Cb 0.07 -0.96 -0.11 0.00 -1.82 0.00 0.00 70.33 67.51 3fyi n THR 105 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3fyi h ILE 106 N 0.00 1.55 -0.37 12.58 2.04 -0.94 -3.13 117.51 129.25 3fyi h ILE 106 Ca -0.50 -1.82 0.08 0.00 1.00 0.00 0.00 64.86 63.62 3fyi h ILE 106 Cb 1.93 2.71 -0.07 0.00 -0.74 0.00 0.00 36.82 40.64 3fyi h ILE 106 CO -0.03 0.49 -0.11 0.58 0.00 0.00 0.00 178.15 179.07 3fyi h VAL 107 N -0.56 0.59 -0.63 1.67 2.07 -1.53 0.17 116.25 118.03 3fyi h VAL 107 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3fyi h VAL 107 Cb 0.88 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3fyi h VAL 107 CO 0.03 0.00 0.36 -0.65 0.02 0.00 0.00 177.57 177.32 3fyi h PRO 108 N -0.03 0.65 -0.36 1.57 0.11 -1.79 -0.65 132.00 131.50 3fyi h PRO 108 Ca 0.18 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.26 3fyi h PRO 108 Cb 0.30 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 3fyi h PRO 108 CO -0.40 0.43 0.22 0.82 -0.21 0.00 0.00 178.00 178.87 3fyi h ILE 109 N 0.67 1.06 -0.52 4.15 2.04 -1.16 -1.95 117.51 121.81 3fyi h ILE 109 Ca 0.27 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3fyi h ILE 109 Cb 0.13 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3fyi h ILE 109 CO -0.16 0.08 0.27 0.58 0.00 0.00 0.00 178.15 178.93 3fyi h VAL 110 N 0.46 1.18 -0.39 1.67 2.07 -0.51 -1.94 116.25 118.78 3fyi h VAL 110 Ca 0.14 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3fyi h VAL 110 Cb -0.03 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3fyi h VAL 110 CO -0.05 0.20 0.06 0.40 0.02 0.00 0.00 177.57 178.20 3fyi h ILE 111 N 0.69 0.78 0.00 4.57 2.04 -0.86 -0.83 117.51 123.89 3fyi h ILE 111 Ca 0.18 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 3fyi h ILE 111 Cb 0.08 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3fyi h ILE 111 CO -0.03 0.03 -0.32 -0.07 0.00 0.00 0.00 178.15 177.76 3fyi h LEU 112 N 0.18 0.00 -0.19 1.44 3.38 -1.12 -1.70 115.31 117.29 3fyi h LEU 112 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 3fyi h LEU 112 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fyi h LEU 112 CO -0.26 0.32 -0.67 0.58 0.09 0.00 0.00 178.44 178.50 3fyi h VAL 113 N 0.00 1.28 -0.64 1.22 2.07 -0.81 -0.83 116.25 118.56 3fyi h VAL 113 Ca -0.00 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 3fyi h VAL 113 Cb 0.59 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3fyi h VAL 113 CO 0.04 0.60 0.36 0.00 0.02 0.00 0.00 177.57 178.59 3fyi h ALA 114 N 0.58 0.82 -0.17 1.67 0.00 -0.84 -0.06 119.26 121.25 3fyi h ALA 114 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3fyi h ALA 114 Cb 1.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3fyi h ALA 114 CO 0.14 0.32 0.01 0.82 0.00 0.00 0.00 179.25 180.55 3fyi h ILE 115 N 0.87 1.24 -0.23 0.00 2.04 -1.33 -3.05 117.51 117.06 3fyi h ILE 115 Ca 0.23 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3fyi h ILE 115 Cb 0.02 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3fyi h ILE 115 CO -0.04 0.24 0.11 1.23 0.00 0.00 0.00 178.15 179.69 3fyi h GLY 116 N 0.06 0.33 1.76 5.37 0.00 -0.96 0.38 103.07 110.01 3fyi h GLY 116 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3fyi h GLY 116 CO 0.01 0.13 -0.28 0.00 0.00 0.00 0.00 176.54 176.39 3fyi h ALA 117 N 1.82 1.24 0.00 3.60 0.00 -0.92 -1.71 119.26 123.29 3fyi h ALA 117 Ca 0.08 -0.33 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 3fyi h ALA 117 Cb 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3fyi h ALA 117 CO -0.01 0.51 -1.48 0.74 0.00 0.00 0.00 179.25 179.00 3fyi h PHE 118 N 0.25 0.00 0.20 0.00 -1.00 -1.30 -3.41 116.94 111.68 3fyi h PHE 118 Ca 0.04 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.48 3fyi h PHE 118 Cb 0.64 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.22 3fyi h PHE 118 CO 0.01 0.82 -1.65 1.03 -1.61 0.00 0.00 178.31 176.91 3fyi h SER 119 N 0.00 0.67 -0.63 2.17 0.87 -0.82 -3.32 113.55 112.50 3fyi h SER 119 Ca -0.20 -0.93 0.01 0.00 -1.23 0.00 0.00 61.79 59.43 3fyi h SER 119 Cb 1.80 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.51 3fyi h SER 119 CO 0.07 1.76 0.42 -0.07 -0.53 0.00 0.00 176.83 178.48 3fyi h LEU 120 N 0.09 0.72 -0.56 2.23 3.38 -1.54 -0.17 115.31 119.47 3fyi h LEU 120 Ca -0.32 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3fyi h LEU 120 Cb 2.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.62 3fyi h LEU 120 CO 0.20 0.53 0.31 -0.65 0.09 0.00 0.00 178.44 178.91 3fyi h PRO 121 N 0.86 0.58 -0.91 1.13 0.11 -1.79 -1.35 132.00 130.63 3fyi h PRO 121 Ca 0.23 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3fyi h PRO 121 Cb -0.10 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 30.84 3fyi h PRO 121 CO -0.05 0.38 0.52 0.28 -0.21 0.00 0.00 178.00 178.92 3fyi h VAL 122 N 0.60 1.26 -0.63 3.15 2.07 -1.57 -0.94 116.25 120.18 3fyi h VAL 122 Ca 0.24 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3fyi h VAL 122 Cb 0.10 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 3fyi h VAL 122 CO -0.14 0.28 0.24 0.25 0.02 0.00 0.00 177.57 178.22 3fyi h LEU 123 N 1.27 0.89 -0.12 2.57 5.85 -0.77 -1.58 115.31 123.42 3fyi h LEU 123 Ca 0.32 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3fyi h LEU 123 Cb -0.00 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3fyi h LEU 123 CO -0.05 0.83 0.03 -0.26 -0.34 0.00 0.00 178.44 178.65 3fyi h PHE 124 N 0.90 0.20 -0.93 1.25 -1.00 -0.93 -1.48 116.94 114.94 3fyi h PHE 124 Ca 0.21 -0.02 0.15 0.00 2.81 0.00 0.00 57.97 61.12 3fyi h PHE 124 Cb 0.23 -0.06 -0.09 0.00 3.61 0.00 0.00 35.95 39.65 3fyi h PHE 124 CO 0.02 0.35 0.54 -0.97 -1.61 0.00 0.00 178.31 176.63 3fyi h ASN 125 N -0.01 0.71 -0.34 2.17 -1.24 -1.11 -1.42 115.58 114.34 3fyi h ASN 125 Ca 0.04 0.08 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 3fyi h ASN 125 Cb 0.25 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 3fyi h ASN 125 CO 0.00 0.31 -0.12 -0.61 -1.29 0.00 0.00 177.43 175.72 3fyi h GLN 126 N 0.76 0.67 0.00 6.67 4.15 -1.05 -3.34 115.11 122.97 3fyi h GLN 126 Ca 0.50 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3fyi h GLN 126 Cb 0.67 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.33 3fyi h GLN 126 CO -0.34 0.86 -1.16 1.04 -1.93 0.00 0.00 178.83 177.31 3fyi n GLN 127 N -4.38 0.31 -2.92 1.69 1.13 -0.58 -4.73 117.38 107.90 3fyi n GLN 127 Ca -0.02 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.59 3fyi n GLN 127 Cb 0.36 -1.58 -0.05 0.00 0.11 0.00 0.00 30.24 29.09 3fyi n GLN 127 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3fyi s GLU 128 N -3.22 3.79 -0.20 -1.09 2.02 -0.57 -5.00 118.70 114.44 3fyi s GLU 128 Ca 0.03 0.40 -0.29 0.00 0.02 0.00 0.00 54.97 55.12 3fyi s GLU 128 Cb 0.14 -3.80 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 3fyi s GLU 128 CO 0.82 -0.86 1.19 0.42 0.02 0.00 0.00 175.26 176.86 3fyi s ILE 129 N 3.17 4.40 0.90 -1.63 -1.09 -1.26 -4.94 121.20 120.74 3fyi s ILE 129 Ca 0.33 1.68 -0.13 0.00 -2.23 0.00 0.00 60.65 60.31 3fyi s ILE 129 Cb -0.13 -4.11 0.17 0.00 -1.58 0.00 0.00 42.46 36.81 3fyi s ILE 129 CO 0.17 -0.18 1.24 -2.16 -1.23 0.00 0.00 174.94 172.78 3fyi s PRO 130 N 3.45 0.98 0.17 2.79 0.05 -1.26 -4.99 135.00 136.19 3fyi s PRO 130 Ca 0.51 -0.50 -0.32 0.00 0.05 0.00 0.00 61.00 60.75 3fyi s PRO 130 Cb -0.19 -1.96 -0.11 0.00 0.05 0.00 0.00 34.50 32.30 3fyi s PRO 130 CO 0.12 -2.14 1.66 -2.00 0.05 0.00 0.00 177.00 174.70 3fyi s GLU 131 N -5.71 4.17 0.13 4.56 2.56 -1.26 -4.96 118.70 118.20 3fyi s GLU 131 Ca 0.71 2.47 -0.30 0.00 0.00 0.00 0.00 54.97 57.85 3fyi s GLU 131 Cb -0.05 -3.21 -0.06 0.00 2.00 0.00 0.00 34.13 32.80 3fyi s GLU 131 CO 0.51 -0.70 0.98 0.00 -0.56 0.00 0.00 175.26 175.49 3fyi s ALA 132 N 1.47 3.27 -0.08 6.30 0.00 -1.26 -4.83 121.76 126.62 3fyi s ALA 132 Ca 0.73 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 3fyi s ALA 132 Cb -0.46 -3.28 -0.29 0.00 0.00 0.00 0.00 23.12 19.10 3fyi s ALA 132 CO 0.32 -0.02 0.55 -0.44 0.00 0.00 0.00 175.76 176.17 3fyi h ASP 133 N 5.37 0.51 -3.91 0.00 3.32 -1.43 -3.48 116.42 116.80 3fyi h ASP 133 Ca -0.43 -0.92 -0.47 0.00 0.02 0.00 0.00 57.03 55.23 3fyi h ASP 133 Cb 1.21 -0.17 -0.31 0.00 0.22 0.00 0.00 39.33 40.29 3fyi h ASP 133 CO 0.71 1.78 -0.80 -0.69 -1.72 0.00 0.00 179.24 178.52 3fyi s VAL 134 N -2.55 1.00 -0.10 -1.35 1.01 -0.83 -5.01 120.40 112.58 3fyi s VAL 134 Ca -0.19 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3fyi s VAL 134 Cb 0.06 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.57 3fyi s VAL 134 CO 0.81 0.30 -0.20 -0.89 0.00 0.00 0.00 175.10 175.12 3fyi s THR 135 N 0.05 1.80 -0.05 3.92 2.01 -1.26 -0.70 115.64 121.41 3fyi s THR 135 Ca -0.02 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3fyi s THR 135 Cb -0.09 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.85 3fyi s THR 135 CO 0.01 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.61 3fyi s VAL 136 N 0.57 1.20 -0.24 3.82 1.01 -0.44 -4.13 120.40 122.19 3fyi s VAL 136 Ca -0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3fyi s VAL 136 Cb -0.17 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3fyi s VAL 136 CO 0.05 0.36 0.10 -0.75 0.00 0.00 0.00 175.10 174.86 3fyi s LYS 137 N 0.33 3.84 -0.16 2.72 2.20 0.67 -0.15 119.74 129.18 3fyi s LYS 137 Ca -0.08 -0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.12 3fyi s LYS 137 Cb -0.13 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3fyi s LYS 137 CO 0.03 -0.06 -0.10 0.08 -0.36 0.00 0.00 175.35 174.94 3fyi s VAL 138 N 1.31 3.25 -0.13 4.02 1.01 0.15 -0.68 120.40 129.33 3fyi s VAL 138 Ca 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3fyi s VAL 138 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3fyi s VAL 138 CO 0.05 0.50 -0.16 -0.89 0.00 0.00 0.00 175.10 174.60 3fyi s THR 139 N 0.62 2.78 -0.09 3.92 2.01 -0.15 -1.57 115.64 123.16 3fyi s THR 139 Ca -0.06 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 3fyi s THR 139 Cb -0.15 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3fyi s THR 139 CO 0.03 0.53 0.70 -0.83 -0.69 0.00 0.00 174.62 174.35 3fyi s GLY 140 N 0.44 2.50 0.19 4.40 0.00 0.13 -0.54 107.32 114.44 3fyi s GLY 140 Ca -0.11 0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.75 3fyi s GLY 140 CO 0.05 1.22 -0.14 -0.19 0.00 0.00 0.00 173.10 174.04 3fyi s TYR 141 N 1.04 1.67 -0.60 1.90 1.51 -0.06 -0.35 117.35 122.46 3fyi s TYR 141 Ca 0.36 -0.58 -0.28 0.00 -1.01 0.00 0.00 57.07 55.57 3fyi s TYR 141 Cb -0.17 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.92 3fyi s TYR 141 CO 0.16 0.33 1.17 -0.65 -1.11 0.00 0.00 175.55 175.46 3fyi s GLN 142 N -3.55 3.45 -0.44 -0.62 -0.21 -1.26 -0.84 119.66 116.18 3fyi s GLN 142 Ca 0.21 0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.74 3fyi s GLN 142 Cb -0.01 -4.04 0.15 0.00 1.00 0.00 0.00 33.01 30.11 3fyi s GLN 142 CO 0.06 -1.72 0.29 -1.58 -2.12 0.00 0.00 175.29 170.23 3fyi s TRP 143 N 4.93 1.61 0.06 0.91 0.51 -1.26 -5.14 118.94 120.56 3fyi s TRP 143 Ca 0.40 -2.32 -0.28 0.00 -2.12 0.00 0.00 56.10 51.79 3fyi s TRP 143 Cb -0.08 -1.46 0.09 0.00 -0.81 0.00 0.00 33.47 31.21 3fyi s TRP 143 CO 0.23 -0.78 1.14 1.52 -0.51 0.00 0.00 176.95 178.56 3fyi s TYR 144 N 0.21 -0.08 -0.04 -1.98 1.13 -0.02 -4.71 117.35 111.86 3fyi s TYR 144 Ca 0.23 -0.12 0.04 0.00 -1.41 0.00 0.00 57.07 55.81 3fyi s TYR 144 Cb -0.13 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 3fyi s TYR 144 CO -0.08 -0.53 -0.13 -1.58 -2.51 0.00 0.00 175.55 170.72 3fyi s TRP 145 N -2.80 2.73 -0.09 -3.49 0.52 -1.03 -0.89 118.94 113.89 3fyi s TRP 145 Ca 0.14 -0.14 -0.02 0.00 0.02 0.00 0.00 56.10 56.10 3fyi s TRP 145 Cb 0.02 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.69 3fyi s TRP 145 CO -0.01 0.22 -0.01 0.20 0.02 0.00 0.00 176.95 177.38 3fyi s GLY 146 N -0.87 1.83 -0.07 0.98 0.00 0.29 -0.12 107.32 109.37 3fyi s GLY 146 Ca 0.12 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 44.08 3fyi s GLY 146 CO 0.02 -0.52 -0.22 -0.19 0.00 0.00 0.00 173.10 172.18 3fyi s TYR 147 N -0.74 2.25 -0.04 1.90 1.51 0.75 -0.98 117.35 121.99 3fyi s TYR 147 Ca 0.12 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.45 3fyi s TYR 147 Cb -0.12 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 3fyi s TYR 147 CO 0.02 -0.27 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.08 3fyi s GLU 148 N 0.07 1.32 -0.56 -0.62 2.12 0.14 -1.08 118.70 120.10 3fyi s GLU 148 Ca -0.09 -0.39 -0.07 0.00 0.36 0.00 0.00 54.97 54.79 3fyi s GLU 148 Cb -0.15 -1.17 0.15 0.00 0.26 0.00 0.00 34.13 33.22 3fyi s GLU 148 CO 0.05 0.11 0.42 0.71 -0.54 0.00 0.00 175.26 176.01 3fyi s TYR 149 N 0.32 3.49 0.36 5.30 1.51 0.72 -0.24 117.35 128.82 3fyi s TYR 149 Ca -0.07 -2.22 0.04 0.00 -1.01 0.00 0.00 57.07 53.81 3fyi s TYR 149 Cb -0.11 -3.42 0.70 0.00 -0.11 0.00 0.00 41.96 39.02 3fyi s TYR 149 CO 0.02 -0.94 2.00 -1.00 -1.11 0.00 0.00 175.55 174.51 3fyi h PRO 150 N 7.86 0.76 0.00 -1.71 0.13 -1.83 -0.37 132.00 136.84 3fyi h PRO 150 Ca -0.09 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3fyi h PRO 150 Cb 1.03 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3fyi h PRO 150 CO 0.78 0.50 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.59 3fyi h ASP 151 N 0.78 0.00 -0.00 1.44 3.45 -1.94 -3.28 116.42 116.87 3fyi h ASP 151 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 3fyi h ASP 151 Cb 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 3fyi h ASP 151 CO -0.07 0.02 -0.09 -0.62 -1.57 0.00 0.00 179.24 176.91 3fyi n GLU 152 N -3.14 3.21 -3.58 3.56 -0.58 -0.58 -5.01 120.64 114.52 3fyi n GLU 152 Ca -0.01 -0.31 -0.27 0.00 -0.42 0.00 0.00 57.16 56.16 3fyi n GLU 152 Cb 0.24 -0.83 0.02 0.00 -0.57 0.00 0.00 31.44 30.30 3fyi n GLU 152 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3fyi n GLU 153 N -0.53 -4.63 -3.97 3.49 1.02 -0.25 -4.99 120.64 110.77 3fyi n GLU 153 Ca 0.01 0.60 -0.36 0.00 -0.02 0.00 0.00 57.16 57.39 3fyi n GLU 153 Cb 0.07 -5.42 -0.08 0.00 -0.02 0.00 0.00 31.44 25.99 3fyi n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fyi s ILE 154 N -3.15 5.15 -0.09 -3.67 1.01 -1.17 -4.98 121.20 114.30 3fyi s ILE 154 Ca 0.52 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 61.16 3fyi s ILE 154 Cb -0.26 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 38.98 3fyi s ILE 154 CO 0.64 0.57 0.25 -0.94 0.00 0.00 0.00 174.94 175.46 3fyi s SER 155 N -0.60 -0.26 0.19 3.58 1.04 -1.26 -0.20 113.70 116.18 3fyi s SER 155 Ca 0.12 0.50 -0.19 0.00 0.48 0.00 0.00 55.95 56.85 3fyi s SER 155 Cb -0.12 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.56 3fyi s SER 155 CO 0.02 -0.10 0.56 0.72 0.98 0.00 0.00 173.24 175.42 3fyi s PHE 156 N 0.09 -0.27 0.23 5.02 -0.71 -0.24 -5.00 117.98 117.09 3fyi s PHE 156 Ca -0.00 -0.04 0.08 0.00 -1.04 0.00 0.00 56.93 55.93 3fyi s PHE 156 Cb -0.02 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 3fyi s PHE 156 CO 0.00 -0.91 0.04 -1.21 -1.34 0.00 0.00 175.22 171.81 3fyi s GLU 157 N -3.83 2.46 -0.14 1.99 8.01 -1.26 -0.18 118.70 125.75 3fyi s GLU 157 Ca 0.06 -1.23 -0.02 0.00 0.01 0.00 0.00 54.97 53.79 3fyi s GLU 157 Cb -0.01 -2.32 0.05 0.00 -4.31 0.00 0.00 34.13 27.54 3fyi s GLU 157 CO -0.06 0.41 0.03 0.45 0.01 0.00 0.00 175.26 176.09 3fyi s SER 158 N -3.44 2.32 -0.00 -0.19 0.15 0.83 -4.63 113.70 108.74 3fyi s SER 158 Ca 0.30 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.49 3fyi s SER 158 Cb -0.08 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 3fyi s SER 158 CO 0.20 -0.27 -0.10 -0.31 1.20 0.00 0.00 173.24 173.97 3fyi s TYR 159 N 1.94 2.79 0.28 3.44 1.51 -1.26 -2.47 117.35 123.58 3fyi s TYR 159 Ca 0.02 -0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 55.68 3fyi s TYR 159 Cb -0.15 -1.59 -0.13 0.00 -0.11 0.00 0.00 41.96 39.98 3fyi s TYR 159 CO -0.07 0.32 1.26 -0.12 -1.11 0.00 0.00 175.55 175.83 3fyi n MET 160 N 1.72 1.84 -2.17 -0.62 0.00 -1.26 -0.59 117.12 116.03 3fyi n MET 160 Ca -0.16 0.65 -0.43 0.00 -0.00 0.00 0.00 57.70 57.76 3fyi n MET 160 Cb 0.52 -2.21 -0.02 0.00 0.00 0.00 0.00 33.22 31.51 3fyi n MET 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3fyi s ILE 161 N -0.61 3.80 0.00 1.12 1.01 -0.48 -1.54 121.20 124.50 3fyi s ILE 161 Ca 0.63 0.92 0.00 0.00 0.00 0.00 0.00 60.65 62.20 3fyi s ILE 161 Cb -0.65 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.05 3fyi s ILE 161 CO 0.56 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3fyi n GLY 162 N 4.43 1.31 3.76 6.18 0.00 -1.26 -4.62 105.19 114.98 3fyi n GLY 162 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3fyi n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fyi s SER 163 N -1.96 4.57 0.32 1.61 1.04 -0.59 -0.50 113.70 118.19 3fyi s SER 163 Ca 0.00 1.94 0.10 0.00 0.48 0.00 0.00 55.95 58.47 3fyi s SER 163 Cb 0.00 -2.54 0.91 0.00 0.10 0.00 0.00 66.02 64.49 3fyi s SER 163 CO 0.00 -1.99 1.70 -0.65 0.98 0.00 0.00 173.24 173.28 3fyi h PRO 164 N -0.74 0.46 0.00 4.02 0.11 -1.86 -0.39 132.00 133.60 3fyi h PRO 164 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3fyi h PRO 164 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fyi h PRO 164 CO 0.51 0.31 -0.11 0.00 -0.21 0.00 0.00 178.00 178.50 3fyi h ALA 165 N 1.76 1.69 -0.36 -0.75 0.00 -1.92 -0.52 119.26 119.16 3fyi h ALA 165 Ca 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3fyi h ALA 165 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3fyi h ALA 165 CO -0.52 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.12 3fyi n THR 166 N -4.22 0.47 -0.13 0.00 -2.24 -0.48 -4.93 114.28 102.75 3fyi n THR 166 Ca -0.03 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3fyi n THR 166 Cb 0.19 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3fyi n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fyi n GLY 167 N 1.23 0.68 0.00 3.38 0.00 -0.20 -4.83 105.19 105.45 3fyi n GLY 167 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3fyi n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyi n GLY 168 N -2.00 1.08 2.82 -0.02 0.00 -0.28 -4.90 105.19 101.89 3fyi n GLY 168 Ca 0.00 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 3fyi n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fyi n ASP 169 N -2.56 1.32 -0.41 1.61 3.85 -0.90 -2.84 116.55 116.61 3fyi n ASP 169 Ca 0.00 -2.05 -0.05 0.00 -0.71 0.00 0.00 54.79 51.98 3fyi n ASP 169 Cb 0.00 -0.38 -0.02 0.00 -1.35 0.00 0.00 41.12 39.37 3fyi n ASP 169 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3fyi n ASN 170 N -0.67 -3.19 -4.11 -1.12 3.02 0.34 -4.97 115.26 104.57 3fyi n ASN 170 Ca 0.05 0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.58 3fyi n ASN 170 Cb 0.81 -1.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.38 3fyi n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fyi s ARG 171 N -2.88 0.66 0.46 3.52 1.70 -1.26 -5.03 118.95 116.12 3fyi s ARG 171 Ca 0.00 -1.10 -0.25 0.00 -0.47 0.00 0.00 55.73 53.91 3fyi s ARG 171 Cb 0.00 -0.12 -0.08 0.00 -0.57 0.00 0.00 34.95 34.19 3fyi s ARG 171 CO 0.00 -0.02 1.43 1.41 -1.08 0.00 0.00 175.30 177.03 3fyi s MET 172 N -3.05 3.62 0.17 3.89 -2.45 -1.26 -4.90 119.30 115.32 3fyi s MET 172 Ca 0.03 2.41 -0.24 0.00 -1.25 0.00 0.00 55.69 56.64 3fyi s MET 172 Cb 0.00 -2.61 0.06 0.00 1.25 0.00 0.00 34.83 33.53 3fyi s MET 172 CO -0.04 -0.87 0.75 -1.54 1.05 0.00 0.00 175.02 174.37 3fyi s SER 173 N -0.54 -0.37 0.22 1.11 1.04 -1.26 -5.00 113.70 108.90 3fyi s SER 173 Ca 0.62 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.71 3fyi s SER 173 Cb -0.44 0.58 0.32 0.00 0.10 0.00 0.00 66.02 66.59 3fyi s SER 173 CO 0.56 -1.02 1.73 -0.65 0.98 0.00 0.00 173.24 174.84 3fyi h PRO 174 N 2.00 0.37 -0.49 4.02 0.11 -1.99 0.19 132.00 136.22 3fyi h PRO 174 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3fyi h PRO 174 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3fyi h PRO 174 CO 0.30 0.25 0.31 0.93 -0.21 0.00 0.00 178.00 179.58 3fyi h GLU 175 N 0.38 0.66 -0.28 1.05 3.07 -1.99 -1.68 114.58 115.79 3fyi h GLU 175 Ca 0.33 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 3fyi h GLU 175 Cb 0.45 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3fyi h GLU 175 CO -0.35 0.45 0.07 0.28 -1.40 0.00 0.00 179.01 178.07 3fyi h VAL 176 N 0.66 1.21 -0.61 3.13 2.07 -1.80 -0.29 116.25 120.63 3fyi h VAL 176 Ca 0.18 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 67.08 3fyi h VAL 176 Cb -0.05 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3fyi h VAL 176 CO -0.04 0.23 0.29 -0.08 0.02 0.00 0.00 177.57 177.99 3fyi h GLU 177 N 0.29 0.51 -0.40 1.57 4.81 -0.86 0.76 114.58 121.27 3fyi h GLU 177 Ca 0.09 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3fyi h GLU 177 Cb 0.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3fyi h GLU 177 CO 0.00 0.34 0.18 0.37 -0.73 0.00 0.00 179.01 179.17 3fyi h GLN 178 N 0.53 0.58 -0.85 1.92 5.75 -1.07 -1.57 115.11 120.39 3fyi h GLN 178 Ca 0.29 -0.09 0.08 0.00 -0.15 0.00 0.00 58.65 58.78 3fyi h GLN 178 Cb 0.27 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.65 3fyi h GLN 178 CO -0.23 0.52 0.51 1.96 -2.65 0.00 0.00 178.83 178.93 3fyi h GLN 179 N 0.50 0.86 -0.56 1.69 4.20 -0.52 -0.25 115.11 121.03 3fyi h GLN 179 Ca 0.13 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3fyi h GLN 179 Cb 0.14 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3fyi h GLN 179 CO -0.02 0.57 0.04 -0.07 -0.67 0.00 0.00 178.83 178.68 3fyi h LEU 180 N 0.89 0.94 -0.35 1.46 3.38 -0.55 -1.30 115.31 119.78 3fyi h LEU 180 Ca 0.39 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3fyi h LEU 180 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3fyi h LEU 180 CO -0.21 0.99 -0.16 0.40 0.09 0.00 0.00 178.44 179.56 3fyi h ILE 181 N 0.85 1.29 -0.15 1.22 2.04 -0.96 0.34 117.51 122.14 3fyi h ILE 181 Ca 0.16 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 3fyi h ILE 181 Cb 0.49 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3fyi h ILE 181 CO 0.02 0.41 -0.06 -0.33 0.00 0.00 0.00 178.15 178.20 3fyi h GLU 182 N 0.50 0.22 -0.01 2.37 5.08 -0.95 -1.86 114.58 119.93 3fyi h GLU 182 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3fyi h GLU 182 Cb 0.69 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3fyi h GLU 182 CO 0.05 0.30 -0.00 0.00 -1.00 0.00 0.00 179.01 178.35 3fyi n ALA 183 N -2.50 2.64 -0.31 3.43 0.00 -0.50 -4.91 120.51 118.37 3fyi n ALA 183 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3fyi n ALA 183 Cb 0.21 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3fyi n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyi n GLY 184 N 1.08 0.82 1.67 0.00 0.00 -0.70 -5.07 105.19 102.99 3fyi n GLY 184 Ca 0.22 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3fyi n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fyi n TYR 185 N -2.31 0.18 -4.58 1.61 4.01 0.12 -5.00 117.16 111.19 3fyi n TYR 185 Ca 0.00 -1.12 -0.26 0.00 -0.16 0.00 0.00 57.90 56.36 3fyi n TYR 185 Cb 0.00 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 38.80 3fyi n TYR 185 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3fyi n SER 186 N -1.31 2.33 0.25 7.72 3.41 -1.26 -3.35 113.62 121.41 3fyi n SER 186 Ca -0.08 -2.99 0.17 0.00 -0.26 0.00 0.00 58.87 55.71 3fyi n SER 186 Cb 0.29 0.60 0.69 0.00 -0.26 0.00 0.00 64.21 65.53 3fyi n SER 186 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3fyi h ARG 187 N 0.00 0.00 0.00 4.33 0.11 -1.93 -2.52 114.38 114.37 3fyi h ARG 187 Ca -0.34 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.73 3fyi h ARG 187 Cb 1.13 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 3fyi h ARG 187 CO 0.55 0.00 -0.06 -0.44 0.10 0.00 0.00 179.97 180.12 3fyi h ASP 188 N 0.00 0.00 -0.32 0.08 3.32 -2.01 -2.73 116.42 114.76 3fyi h ASP 188 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fyi h ASP 188 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3fyi h ASP 188 CO 0.00 0.06 0.00 -0.62 -1.72 0.00 0.00 179.24 176.96 3fyi n GLU 189 N -3.53 2.13 -1.76 3.56 4.71 -0.95 -4.95 120.64 119.86 3fyi n GLU 189 Ca -0.02 -1.71 -0.41 0.00 -0.01 0.00 0.00 57.16 55.00 3fyi n GLU 189 Cb 0.18 -1.44 -0.01 0.00 -1.01 0.00 0.00 31.44 29.16 3fyi n GLU 189 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3fyi n PHE 190 N 0.92 2.88 0.00 -0.32 7.35 -1.03 -1.02 117.46 126.24 3fyi n PHE 190 Ca 0.18 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 3fyi n PHE 190 Cb 0.46 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.74 3fyi n PHE 190 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3fyi n LEU 191 N 1.12 0.00 -0.11 -2.13 4.77 -1.26 -4.79 117.00 114.60 3fyi n LEU 191 Ca 0.04 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 3fyi n LEU 191 Cb 0.38 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3fyi n LEU 191 CO 0.64 0.00 -1.25 0.18 -1.33 0.00 0.00 177.39 175.63 3fyi n LEU 192 N 0.00 1.66 -4.76 2.23 4.77 -0.47 -4.56 117.00 115.86 3fyi n LEU 192 Ca 0.00 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.81 3fyi n LEU 192 Cb 0.00 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.42 3fyi n LEU 192 CO 0.00 0.49 1.03 0.00 -1.33 0.00 0.00 177.39 177.58 3fyi s ALA 193 N -2.40 3.54 0.32 -1.18 0.00 -0.19 -4.28 121.76 117.57 3fyi s ALA 193 Ca -0.30 1.32 0.10 0.00 0.00 0.00 0.00 51.96 53.07 3fyi s ALA 193 Cb 0.11 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 3fyi s ALA 193 CO 0.39 -0.72 -0.06 0.95 0.00 0.00 0.00 175.76 176.32 3fyi s THR 194 N -0.82 2.56 0.19 0.00 -4.23 -1.26 -1.38 115.64 110.70 3fyi s THR 194 Ca 0.52 -2.11 -0.09 0.00 -1.18 0.00 0.00 61.69 58.84 3fyi s THR 194 Cb -0.41 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 70.85 3fyi s THR 194 CO 0.52 -0.25 1.69 -2.24 -0.54 0.00 0.00 174.62 173.79 3fyi h ASP 195 N 1.96 1.08 -4.08 3.99 2.03 -1.13 -3.43 116.42 116.83 3fyi h ASP 195 Ca -0.42 -0.26 -0.69 0.00 -0.73 0.00 0.00 57.03 54.92 3fyi h ASP 195 Cb 1.25 -0.29 -0.24 0.00 -0.83 0.00 0.00 39.33 39.23 3fyi h ASP 195 CO 0.66 1.07 -0.86 0.42 -1.03 0.00 0.00 179.24 179.50 3fyi s THR 196 N -5.19 2.36 0.21 1.15 -4.23 -1.26 -5.03 115.64 103.64 3fyi s THR 196 Ca -0.12 -1.47 0.08 0.00 -1.18 0.00 0.00 61.69 59.00 3fyi s THR 196 Cb 0.14 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 3fyi s THR 196 CO 0.85 0.26 0.02 0.00 -0.54 0.00 0.00 174.62 175.21 3fyi s ALA 197 N -0.93 3.22 -0.38 3.99 0.00 -1.26 -4.78 121.76 121.62 3fyi s ALA 197 Ca 0.13 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.39 3fyi s ALA 197 Cb -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3fyi s ALA 197 CO 0.04 0.40 0.89 1.41 0.00 0.00 0.00 175.76 178.50 3fyi s MET 198 N -3.23 3.77 -0.17 0.00 1.75 0.02 -4.91 119.30 116.52 3fyi s MET 198 Ca 0.29 0.44 -0.08 0.00 -1.25 0.00 0.00 55.69 55.09 3fyi s MET 198 Cb -0.08 -3.82 -0.04 0.00 2.84 0.00 0.00 34.83 33.72 3fyi s MET 198 CO 0.19 -0.96 0.11 0.08 -0.65 0.00 0.00 175.02 173.79 3fyi s VAL 199 N 3.41 5.20 0.03 10.11 1.01 -1.26 -0.59 120.40 138.30 3fyi s VAL 199 Ca 0.36 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 3fyi s VAL 199 Cb -0.12 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3fyi s VAL 199 CO 0.19 0.49 -0.02 0.68 0.00 0.00 0.00 175.10 176.44 3fyi s VAL 200 N 0.03 0.14 0.35 2.92 -7.23 -0.54 -4.97 120.40 111.10 3fyi s VAL 200 Ca 0.08 -1.13 -0.25 0.00 -1.81 0.00 0.00 61.98 58.87 3fyi s VAL 200 Cb -0.12 -0.59 -0.10 0.00 0.56 0.00 0.00 36.38 36.13 3fyi s VAL 200 CO -0.00 -0.62 0.97 -2.16 -0.31 0.00 0.00 175.10 172.98 3fyi s PRO 201 N -2.10 4.45 0.55 4.82 0.04 -1.26 -1.56 135.00 139.95 3fyi s PRO 201 Ca -0.10 1.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 3fyi s PRO 201 Cb -0.05 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 3fyi s PRO 201 CO -0.03 0.15 1.26 0.54 0.04 0.00 0.00 177.00 178.95 3fyi s VAL 202 N -1.68 2.49 -1.90 -0.36 0.11 0.85 -3.63 120.40 116.27 3fyi s VAL 202 Ca 0.53 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 3fyi s VAL 202 Cb -0.19 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 3fyi s VAL 202 CO 0.24 -0.03 0.00 0.59 -3.33 0.00 0.00 175.10 172.57 3fyi n ASN 203 N -1.16 -5.41 -4.35 3.54 3.02 0.65 -4.78 115.26 106.78 3fyi n ASN 203 Ca 0.11 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.66 3fyi n ASN 203 Cb 0.47 -4.54 -0.14 0.00 -0.61 0.00 0.00 39.78 34.96 3fyi n ASN 203 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fyi s LYS 204 N -4.12 1.67 -0.26 3.52 -0.14 -1.24 -5.00 119.74 114.17 3fyi s LYS 204 Ca 0.00 -1.17 -0.29 0.00 -1.36 0.00 0.00 55.97 53.15 3fyi s LYS 204 Cb 0.00 -1.93 -0.01 0.00 -1.68 0.00 0.00 37.83 34.22 3fyi s LYS 204 CO 0.00 0.49 1.34 0.99 -0.76 0.00 0.00 175.35 177.40 3fyi s THR 205 N -0.88 4.11 -0.21 2.17 2.01 -1.26 -4.23 115.64 117.35 3fyi s THR 205 Ca 0.12 1.27 -0.09 0.00 0.31 0.00 0.00 61.69 63.31 3fyi s THR 205 Cb -0.10 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3fyi s THR 205 CO 0.03 -0.38 0.10 -0.69 -0.69 0.00 0.00 174.62 172.99 3fyi s VAL 206 N 4.30 4.95 -0.20 3.82 1.01 0.18 -0.98 120.40 133.47 3fyi s VAL 206 Ca 0.58 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 3fyi s VAL 206 Cb -0.19 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3fyi s VAL 206 CO 0.22 0.41 -0.04 -0.69 0.00 0.00 0.00 175.10 175.00 3fyi s VAL 207 N 0.76 3.53 -0.17 2.92 1.01 0.13 -1.61 120.40 126.97 3fyi s VAL 207 Ca 0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3fyi s VAL 207 Cb -0.13 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3fyi s VAL 207 CO 0.02 0.44 0.01 -0.69 0.00 0.00 0.00 175.10 174.87 3fyi s VAL 208 N 1.17 4.26 -0.26 2.92 1.01 -0.11 -1.32 120.40 128.07 3fyi s VAL 208 Ca 0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3fyi s VAL 208 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3fyi s VAL 208 CO -0.00 0.48 0.11 -1.10 0.00 0.00 0.00 175.10 174.58 3fyi s GLN 209 N 0.41 3.77 -0.11 2.72 -0.21 0.78 -1.33 119.66 125.69 3fyi s GLN 209 Ca -0.01 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 54.96 3fyi s GLN 209 Cb -0.13 -3.43 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 3fyi s GLN 209 CO 0.02 -0.16 -0.12 0.08 -2.12 0.00 0.00 175.29 172.98 3fyi s VAL 210 N 1.60 3.14 0.12 1.09 1.01 0.19 0.34 120.40 127.90 3fyi s VAL 210 Ca 0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 3fyi s VAL 210 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3fyi s VAL 210 CO 0.06 0.54 0.26 0.28 0.00 0.00 0.00 175.10 176.24 3fyi s THR 211 N 0.08 0.10 -0.00 3.92 -1.32 -0.61 -1.33 115.64 116.48 3fyi s THR 211 Ca -0.05 -1.14 0.01 0.00 -1.21 0.00 0.00 61.69 59.30 3fyi s THR 211 Cb -0.14 -1.48 -0.04 0.00 -1.51 0.00 0.00 72.50 69.32 3fyi s THR 211 CO 0.04 -0.47 0.02 -0.83 -2.21 0.00 0.00 174.62 171.17 3fyi s GLY 212 N -2.89 1.91 0.10 6.08 0.00 -1.12 -0.70 107.32 110.71 3fyi s GLY 212 Ca 0.09 -0.93 0.20 0.00 0.00 0.00 0.00 44.72 44.07 3fyi s GLY 212 CO -0.07 -0.80 0.85 0.00 0.00 0.00 0.00 173.10 173.08 3fyi n ALA 213 N 1.37 2.26 0.07 3.20 0.00 0.53 -3.49 120.51 124.44 3fyi n ALA 213 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3fyi n ALA 213 Cb 0.53 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3fyi n ALA 213 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fyi n ASP 214 N -2.73 -0.07 -4.76 0.00 5.68 -1.26 -5.00 116.55 108.41 3fyi n ASP 214 Ca -0.06 0.24 -0.31 0.00 -0.50 0.00 0.00 54.79 54.16 3fyi n ASP 214 Cb 0.70 0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 40.80 3fyi n ASP 214 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3fyi s VAL 215 N -1.49 1.38 0.07 2.12 -7.23 -1.26 -4.86 120.40 109.12 3fyi s VAL 215 Ca 0.00 -1.92 -0.31 0.00 -1.81 0.00 0.00 61.98 57.95 3fyi s VAL 215 Cb 0.00 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 3fyi s VAL 215 CO 0.00 0.00 1.26 -0.63 -0.31 0.00 0.00 175.10 175.42 3fyi s ILE 216 N -2.83 3.84 0.39 -0.62 1.01 -1.26 -4.47 121.20 117.26 3fyi s ILE 216 Ca 0.15 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.11 3fyi s ILE 216 Cb 0.02 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3fyi s ILE 216 CO 0.08 0.09 0.04 1.41 0.00 0.00 0.00 174.94 176.56 3fyi n HIS 217 N 4.04 0.70 -3.69 3.97 8.25 -0.85 -4.41 115.22 123.23 3fyi n HIS 217 Ca 0.10 -1.90 -0.12 0.00 -0.26 0.00 0.00 57.72 55.53 3fyi n HIS 217 Cb 0.45 -0.27 -0.13 0.00 1.12 0.00 0.00 29.99 31.17 3fyi n HIS 217 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fyi s SER 218 N -3.18 -0.02 -0.20 0.41 0.15 -1.26 0.59 113.70 110.20 3fyi s SER 218 Ca 0.03 0.61 -0.11 0.00 0.70 0.00 0.00 55.95 57.18 3fyi s SER 218 Cb -0.00 0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 3fyi s SER 218 CO 0.02 -0.20 0.18 0.86 1.20 0.00 0.00 173.24 175.29 3fyi s TRP 219 N 1.85 3.40 -0.01 3.44 -0.00 -0.73 -1.44 118.94 125.45 3fyi s TRP 219 Ca -0.04 0.37 -0.18 0.00 -0.00 0.00 0.00 56.10 56.25 3fyi s TRP 219 Cb -0.11 -2.23 0.03 0.00 -0.00 0.00 0.00 33.47 31.16 3fyi s TRP 219 CO -0.09 0.23 0.39 -0.08 -0.00 0.00 0.00 176.95 177.40 3fyi s THR 220 N 0.55 0.05 -0.25 5.86 -1.32 -1.26 -1.44 115.64 117.82 3fyi s THR 220 Ca 0.10 -0.39 -0.04 0.00 -1.21 0.00 0.00 61.69 60.15 3fyi s THR 220 Cb -0.12 -0.74 0.09 0.00 -1.51 0.00 0.00 72.50 70.22 3fyi s THR 220 CO 0.01 -0.22 0.11 -0.69 -2.21 0.00 0.00 174.62 171.62 3fyi s VAL 221 N -1.48 0.00 0.28 5.08 1.01 -0.94 -3.90 120.40 120.45 3fyi s VAL 221 Ca -0.12 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3fyi s VAL 221 Cb -0.04 -0.90 0.27 0.00 0.00 0.00 0.00 36.38 35.72 3fyi s VAL 221 CO 0.04 -0.57 1.72 -0.65 0.00 0.00 0.00 175.10 175.65 3fyi h PRO 222 N 8.39 0.49 0.00 2.72 0.11 -1.79 -0.59 132.00 141.32 3fyi h PRO 222 Ca -0.18 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 3fyi h PRO 222 Cb 1.06 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3fyi h PRO 222 CO 0.39 0.32 -0.06 0.00 -0.21 0.00 0.00 178.00 178.44 3fyi h ALA 223 N 1.65 1.59 -0.00 -0.75 0.00 -1.85 -1.95 119.26 117.95 3fyi h ALA 223 Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3fyi h ALA 223 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3fyi h ALA 223 CO -0.46 0.07 -0.68 1.19 0.00 0.00 0.00 179.25 179.37 3fyi n PHE 224 N -4.02 0.00 -2.60 0.00 3.72 -0.28 -1.43 117.46 112.86 3fyi n PHE 224 Ca -0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.26 3fyi n PHE 224 Cb 0.15 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.57 3fyi n PHE 224 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fyi n GLY 225 N 1.49 0.06 3.30 1.37 0.00 -0.74 -3.69 105.19 106.97 3fyi n GLY 225 Ca 0.05 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 3fyi n GLY 225 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fyi s VAL 226 N -2.82 1.88 -0.28 1.61 -7.23 -1.17 -4.78 120.40 107.60 3fyi s VAL 226 Ca 0.14 -1.35 -0.16 0.00 -1.81 0.00 0.00 61.98 58.80 3fyi s VAL 226 Cb -0.06 -1.64 0.09 0.00 0.56 0.00 0.00 36.38 35.33 3fyi s VAL 226 CO 0.17 0.22 0.74 -0.75 -0.31 0.00 0.00 175.10 175.17 3fyi s LYS 227 N -1.35 0.66 -0.15 4.82 2.20 -1.26 -2.22 119.74 122.43 3fyi s LYS 227 Ca 0.09 1.12 -0.06 0.00 -0.36 0.00 0.00 55.97 56.76 3fyi s LYS 227 Cb -0.09 0.14 0.06 0.00 -1.51 0.00 0.00 37.83 36.43 3fyi s LYS 227 CO 0.02 -0.14 0.33 -1.14 -0.36 0.00 0.00 175.35 174.06 3fyi s GLN 228 N 1.54 0.25 0.55 4.03 2.00 -0.52 -5.00 119.66 122.51 3fyi s GLN 228 Ca -0.09 0.77 -0.21 0.00 -2.00 0.00 0.00 55.36 53.82 3fyi s GLN 228 Cb -0.05 0.02 -0.05 0.00 0.80 0.00 0.00 33.01 33.74 3fyi s GLN 228 CO -0.18 -0.22 1.30 -0.51 -0.50 0.00 0.00 175.29 175.18 3fyi s ASP 229 N 1.94 5.34 -0.78 6.67 -0.00 -1.26 -1.77 116.67 126.81 3fyi s ASP 229 Ca -0.04 2.63 -0.04 0.00 -0.00 0.00 0.00 52.55 55.09 3fyi s ASP 229 Cb -0.11 -2.62 0.20 0.00 -0.00 0.00 0.00 42.92 40.39 3fyi s ASP 229 CO -0.10 -1.51 0.65 0.00 -0.00 0.00 0.00 175.17 174.21 3fyi s ALA 230 N -1.39 3.97 -0.22 5.23 0.00 0.20 -4.74 121.76 124.81 3fyi s ALA 230 Ca 0.72 -3.53 -0.14 0.00 0.00 0.00 0.00 51.96 49.02 3fyi s ALA 230 Cb -0.37 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3fyi s ALA 230 CO 0.43 -2.16 0.30 0.08 0.00 0.00 0.00 175.76 174.41 3fyi s VAL 231 N -0.59 5.27 0.15 0.00 1.01 -1.26 -2.00 120.40 122.98 3fyi s VAL 231 Ca 0.22 0.48 -0.34 0.00 0.00 0.00 0.00 61.98 62.33 3fyi s VAL 231 Cb -0.13 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 3fyi s VAL 231 CO -0.08 0.29 1.33 -2.65 0.00 0.00 0.00 175.10 173.99 3fyi n PRO 232 N 4.41 1.46 -0.29 2.72 -0.02 -1.23 -1.79 135.00 140.26 3fyi n PRO 232 Ca -0.11 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3fyi n PRO 232 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3fyi n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 233 N 2.44 1.50 3.24 -1.23 0.00 -1.26 -4.93 105.19 104.95 3fyi n GLY 233 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3fyi n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fyi s ARG 234 N -0.33 1.74 -0.36 1.61 0.52 -0.74 -5.11 118.95 116.29 3fyi s ARG 234 Ca 0.00 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 3fyi s ARG 234 Cb 0.00 -1.69 0.08 0.00 0.52 0.00 0.00 34.95 33.86 3fyi s ARG 234 CO 0.00 0.46 0.11 -1.17 0.02 0.00 0.00 175.30 174.73 3fyi s LEU 235 N -0.54 4.64 0.14 2.53 2.96 -1.26 -4.30 118.68 122.85 3fyi s LEU 235 Ca 0.08 -1.65 0.03 0.00 -0.22 0.00 0.00 54.13 52.37 3fyi s LEU 235 Cb -0.08 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3fyi s LEU 235 CO -0.01 -0.41 0.21 0.00 -1.32 0.00 0.00 176.35 174.82 3fyi s ALA 236 N 1.21 3.81 0.16 5.97 0.00 -0.44 -4.86 121.76 127.60 3fyi s ALA 236 Ca 0.02 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 51.01 3fyi s ALA 236 Cb -0.21 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3fyi s ALA 236 CO -0.02 0.58 -0.18 -0.65 0.00 0.00 0.00 175.76 175.49 3fyi s GLN 237 N -3.04 1.77 0.13 0.00 -0.21 -1.26 0.54 119.66 117.59 3fyi s GLN 237 Ca 0.33 -1.32 -0.09 0.00 0.02 0.00 0.00 55.36 54.30 3fyi s GLN 237 Cb -0.11 -2.04 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 3fyi s GLN 237 CO 0.26 0.44 0.25 -0.48 -2.12 0.00 0.00 175.29 173.64 3fyi s LEU 238 N -2.50 1.13 0.05 2.90 0.05 -0.44 -4.99 118.68 114.89 3fyi s LEU 238 Ca 0.21 -0.78 0.01 0.00 0.05 0.00 0.00 54.13 53.62 3fyi s LEU 238 Cb -0.09 1.14 -0.03 0.00 -2.05 0.00 0.00 46.19 45.16 3fyi s LEU 238 CO 0.11 -0.83 -0.06 -1.66 -0.55 0.00 0.00 176.35 173.36 3fyi s TRP 239 N -3.92 0.65 0.06 3.48 1.48 -1.26 -0.93 118.94 118.49 3fyi s TRP 239 Ca 0.12 -0.67 -0.09 0.00 -1.06 0.00 0.00 56.10 54.40 3fyi s TRP 239 Cb 0.04 -0.40 0.00 0.00 -1.16 0.00 0.00 33.47 31.95 3fyi s TRP 239 CO -0.04 -0.15 0.19 -0.59 -4.06 0.00 0.00 176.95 172.30 3fyi s PHE 240 N -2.24 0.09 -0.24 1.66 -0.71 -0.63 -4.94 117.98 110.97 3fyi s PHE 240 Ca -0.03 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 55.47 3fyi s PHE 240 Cb -0.04 -0.04 0.07 0.00 -1.21 0.00 0.00 43.02 41.79 3fyi s PHE 240 CO -0.02 -0.47 -0.03 0.50 -1.34 0.00 0.00 175.22 173.86 3fyi s ARG 241 N -3.05 1.47 0.07 1.99 3.52 -1.26 -0.65 118.95 121.04 3fyi s ARG 241 Ca -0.01 -1.01 -0.31 0.00 -0.13 0.00 0.00 55.73 54.28 3fyi s ARG 241 Cb 0.01 -2.55 -0.06 0.00 -1.56 0.00 0.00 34.95 30.79 3fyi s ARG 241 CO -0.07 -0.65 1.27 0.00 -0.81 0.00 0.00 175.30 175.04 3fyi s ALA 242 N 1.42 3.47 -2.09 6.12 0.00 -1.26 -4.12 121.76 125.30 3fyi s ALA 242 Ca -0.03 0.92 0.24 0.00 0.00 0.00 0.00 51.96 53.08 3fyi s ALA 242 Cb -0.19 -3.48 0.18 0.00 0.00 0.00 0.00 23.12 19.62 3fyi s ALA 242 CO -0.08 -0.53 1.21 0.39 0.00 0.00 0.00 175.76 176.75 3fyi n GLU 243 N 4.10 1.25 -3.59 0.00 1.02 0.12 -0.25 120.64 123.29 3fyi n GLU 243 Ca 0.10 -0.99 -0.12 0.00 -0.02 0.00 0.00 57.16 56.13 3fyi n GLU 243 Cb 0.45 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 3fyi n GLU 243 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3fyi s ARG 244 N -2.43 1.08 0.51 3.49 1.70 -1.26 -4.87 118.95 117.16 3fyi s ARG 244 Ca 0.21 -0.53 -0.16 0.00 -0.47 0.00 0.00 55.73 54.79 3fyi s ARG 244 Cb 0.19 0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 34.97 3fyi s ARG 244 CO 0.53 -0.42 0.96 -1.21 -1.08 0.00 0.00 175.30 174.09 3fyi s GLU 245 N -3.34 3.92 0.00 3.89 2.02 -1.26 -4.84 118.70 119.08 3fyi s GLU 245 Ca -0.00 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.88 3fyi s GLU 245 Cb 0.01 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.07 3fyi s GLU 245 CO -0.09 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.35 3fyi n GLY 246 N -1.58 -0.23 3.53 -1.39 0.00 -0.57 -4.72 105.19 100.23 3fyi n GLY 246 Ca 0.06 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3fyi n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fyi s ILE 247 N -2.60 3.73 -0.04 -0.61 1.01 0.30 -0.88 121.20 122.10 3fyi s ILE 247 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3fyi s ILE 247 Cb 0.00 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.91 3fyi s ILE 247 CO 0.00 0.55 -0.03 -0.36 0.00 0.00 0.00 174.94 175.10 3fyi s PHE 248 N -0.18 0.60 0.08 3.97 0.08 -0.42 -1.22 117.98 120.88 3fyi s PHE 248 Ca 0.03 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 56.99 3fyi s PHE 248 Cb -0.13 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 3fyi s PHE 248 CO 0.03 -0.19 -0.06 -0.06 -0.10 0.00 0.00 175.22 174.84 3fyi s PHE 249 N 1.06 2.85 0.21 0.36 0.08 0.05 -1.10 117.98 121.49 3fyi s PHE 249 Ca -0.09 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.88 3fyi s PHE 249 Cb -0.14 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 3fyi s PHE 249 CO -0.01 0.43 0.07 0.20 -0.10 0.00 0.00 175.22 175.81 3fyi s GLY 250 N -2.06 1.47 0.01 4.36 0.00 -0.17 -4.26 107.32 106.68 3fyi s GLY 250 Ca 0.22 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 43.24 3fyi s GLY 250 CO 0.14 -1.53 -0.09 1.20 0.00 0.00 0.00 173.10 172.82 3fyi s GLN 251 N -4.01 0.69 0.10 2.90 -0.21 -1.26 0.23 119.66 118.09 3fyi s GLN 251 Ca 0.32 -0.48 -0.36 0.00 0.02 0.00 0.00 55.36 54.87 3fyi s GLN 251 Cb 0.07 -0.63 -0.16 0.00 1.00 0.00 0.00 33.01 33.29 3fyi s GLN 251 CO 0.09 0.16 1.45 0.00 -2.12 0.00 0.00 175.29 174.87 3fyi n SER 253 N 3.00 1.93 -3.71 0.00 7.64 -0.52 -4.89 113.62 117.07 3fyi n SER 253 Ca 0.18 -3.46 -0.16 0.00 1.01 0.00 0.00 58.87 56.45 3fyi n SER 253 Cb 0.23 -0.47 -0.16 0.00 -1.01 0.00 0.00 64.21 62.80 3fyi n SER 253 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fyi s GLU 254 N -2.92 0.03 -0.17 1.43 2.56 -1.26 -4.69 118.70 113.67 3fyi s GLU 254 Ca 0.34 0.43 -0.37 0.00 0.00 0.00 0.00 54.97 55.38 3fyi s GLU 254 Cb 0.32 -0.27 -0.14 0.00 2.00 0.00 0.00 34.13 36.04 3fyi s GLU 254 CO -0.03 -0.25 1.82 -0.11 -0.56 0.00 0.00 175.26 176.13 3fyi n LEU 255 N 4.83 2.96 -0.11 2.70 7.94 -1.26 -4.49 117.00 129.56 3fyi n LEU 255 Ca -0.14 1.02 0.02 0.00 -1.11 0.00 0.00 56.01 55.80 3fyi n LEU 255 Cb 0.50 -1.27 0.03 0.00 0.53 0.00 0.00 43.42 43.22 3fyi n LEU 255 CO 0.11 -0.23 0.39 0.00 -1.11 0.00 0.00 177.39 176.55 3fyi n GLY 257 N -0.44 0.06 0.29 0.00 0.00 -1.26 -4.82 105.19 99.01 3fyi n GLY 257 Ca 0.03 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 43.98 3fyi n GLY 257 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fyi h ILE 258 N 0.00 1.09 -0.28 -0.61 2.10 -2.03 -2.76 117.51 115.01 3fyi h ILE 258 Ca 0.00 -0.23 -0.17 0.00 1.08 0.00 0.00 64.86 65.54 3fyi h ILE 258 Cb 0.00 0.68 -0.11 0.00 -1.09 0.00 0.00 36.82 36.30 3fyi h ILE 258 CO 0.00 0.10 -0.30 -1.20 -1.08 0.00 0.00 178.15 175.67 3fyi n SER 259 N -4.46 2.59 -0.27 2.19 7.64 -1.26 -4.69 113.62 115.36 3fyi n SER 259 Ca 0.01 -3.84 0.08 0.00 1.01 0.00 0.00 58.87 56.14 3fyi n SER 259 Cb 0.09 -0.57 0.22 0.00 -1.01 0.00 0.00 64.21 62.94 3fyi n SER 259 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3fyi h HIS 260 N 1.16 0.27 0.00 1.43 6.17 -1.81 0.03 115.15 122.40 3fyi h HIS 260 Ca 0.17 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.30 3fyi h HIS 260 Cb 1.38 0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.32 3fyi h HIS 260 CO 0.93 -0.15 0.00 0.00 0.71 0.00 0.00 177.93 179.42 3fyi n ALA 261 N -2.72 1.99 -2.31 5.26 0.00 -1.26 -3.91 120.51 117.56 3fyi n ALA 261 Ca 0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 3fyi n ALA 261 Cb 0.55 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.74 3fyi n ALA 261 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fyi n TYR 262 N -1.30 1.77 -3.10 0.00 4.01 -0.00 -4.85 117.16 113.67 3fyi n TYR 262 Ca 0.08 -2.00 -0.20 0.00 -0.16 0.00 0.00 57.90 55.62 3fyi n TYR 262 Cb 0.16 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 38.87 3fyi n TYR 262 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fyi n MET 263 N -0.63 0.80 -1.81 -0.72 0.00 -1.23 -4.52 117.12 109.01 3fyi n MET 263 Ca 0.26 -2.98 -0.30 0.00 0.00 0.00 0.00 57.70 54.68 3fyi n MET 263 Cb 0.90 -1.35 0.21 0.00 0.00 0.00 0.00 33.22 32.98 3fyi n MET 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3fyi n PRO 264 N 1.13 -1.55 -4.66 3.17 -0.04 -1.26 -3.64 135.00 128.14 3fyi n PRO 264 Ca 0.19 -2.04 -0.26 0.00 -0.04 0.00 0.00 63.50 61.36 3fyi n PRO 264 Cb 0.58 -1.42 -0.17 0.00 -0.04 0.00 0.00 33.50 32.46 3fyi n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fyi s ILE 265 N -3.82 1.25 -0.15 0.52 1.01 0.14 -4.83 121.20 115.32 3fyi s ILE 265 Ca 0.76 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.87 3fyi s ILE 265 Cb -0.03 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.33 3fyi s ILE 265 CO 0.54 0.38 -0.18 -0.89 0.00 0.00 0.00 174.94 174.79 3fyi s THR 266 N 0.63 1.82 -0.12 2.92 2.01 -1.26 -1.00 115.64 120.64 3fyi s THR 266 Ca -0.15 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.04 3fyi s THR 266 Cb -0.16 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 3fyi s THR 266 CO 0.04 0.50 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.65 3fyi s VAL 267 N 1.19 3.03 -0.21 3.82 1.01 -0.26 -0.80 120.40 128.17 3fyi s VAL 267 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3fyi s VAL 267 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3fyi s VAL 267 CO -0.08 0.53 -0.01 -0.54 0.00 0.00 0.00 175.10 175.01 3fyi s LYS 268 N 0.27 3.53 -0.24 2.72 1.02 0.24 -1.31 119.74 125.98 3fyi s LYS 268 Ca -0.10 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.24 3fyi s LYS 268 Cb -0.16 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 3fyi s LYS 268 CO 0.05 -0.09 0.14 0.08 -0.92 0.00 0.00 175.35 174.61 3fyi s VAL 269 N 1.27 5.14 0.40 3.17 1.01 -0.06 -1.47 120.40 129.85 3fyi s VAL 269 Ca 0.04 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.16 3fyi s VAL 269 Cb -0.15 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3fyi s VAL 269 CO 0.00 0.34 0.15 0.68 0.00 0.00 0.00 175.10 176.27 3fyi s VAL 270 N 1.18 0.53 0.79 2.92 -7.23 -0.60 -1.51 120.40 116.48 3fyi s VAL 270 Ca 0.07 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 3fyi s VAL 270 Cb -0.14 -2.37 0.07 0.00 0.56 0.00 0.00 36.38 34.50 3fyi s VAL 270 CO 0.05 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 175.01 3fyi s SER 271 N -3.58 4.22 0.41 4.85 1.04 -1.26 -0.11 113.70 119.28 3fyi s SER 271 Ca 0.26 1.92 0.16 0.00 0.48 0.00 0.00 55.95 58.77 3fyi s SER 271 Cb 0.03 -2.53 1.05 0.00 0.10 0.00 0.00 66.02 64.66 3fyi s SER 271 CO 0.16 -2.23 1.87 -0.33 0.98 0.00 0.00 173.24 173.69 3fyi h GLU 272 N -1.19 0.42 0.01 4.02 5.08 -1.94 -0.43 114.58 120.56 3fyi h GLU 272 Ca -0.44 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3fyi h GLU 272 Cb 1.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3fyi h GLU 272 CO 0.50 0.28 -0.00 0.93 -1.00 0.00 0.00 179.01 179.71 3fyi h GLU 273 N 0.44 -0.01 -0.79 2.33 5.08 -1.99 -2.21 114.58 117.43 3fyi h GLU 273 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3fyi h GLU 273 Cb 1.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 3fyi h GLU 273 CO -0.17 0.54 0.50 0.00 -1.00 0.00 0.00 179.01 178.88 3fyi h ALA 274 N 0.43 1.40 0.20 3.43 0.00 -1.83 0.10 119.26 122.99 3fyi h ALA 274 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fyi h ALA 274 Cb 0.55 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fyi h ALA 274 CO 0.00 0.54 -0.09 -0.92 0.00 0.00 0.00 179.25 178.78 3fyi h TYR 275 N 1.08 -0.25 -0.83 0.00 3.20 -1.10 -1.22 116.97 117.85 3fyi h TYR 275 Ca 0.29 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.19 3fyi h TYR 275 Cb -0.09 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 3fyi h TYR 275 CO 0.00 -0.10 0.52 0.00 -1.64 0.00 0.00 178.16 176.95 3fyi h ALA 276 N 0.46 1.10 -0.65 1.82 0.00 -1.12 0.33 119.26 121.20 3fyi h ALA 276 Ca -0.03 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3fyi h ALA 276 Cb 0.26 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3fyi h ALA 276 CO 0.04 0.33 0.32 0.00 0.00 0.00 0.00 179.25 179.94 3fyi h ALA 277 N 1.36 0.88 -0.52 0.00 0.00 -0.60 0.91 119.26 121.29 3fyi h ALA 277 Ca 0.34 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3fyi h ALA 277 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fyi h ALA 277 CO -0.13 -0.07 0.16 2.35 0.00 0.00 0.00 179.25 181.56 3fyi h TRP 278 N 0.56 0.83 -0.33 0.00 7.01 -0.46 -1.30 115.95 122.26 3fyi h TRP 278 Ca 0.32 -0.08 0.04 0.00 2.11 0.00 0.00 58.89 61.27 3fyi h TRP 278 Cb 0.31 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.09 3fyi h TRP 278 CO -0.11 0.72 0.10 -0.07 -2.79 0.00 0.00 178.44 176.28 3fyi h LEU 279 N 0.71 0.09 -1.09 0.65 3.38 -0.17 -2.80 115.31 116.08 3fyi h LEU 279 Ca 0.17 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3fyi h LEU 279 Cb 0.28 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3fyi h LEU 279 CO -0.01 0.09 -0.06 -0.08 0.09 0.00 0.00 178.44 178.48 3fyi h GLU 280 N 0.24 0.58 -0.41 1.13 4.57 -0.65 -1.44 114.58 118.59 3fyi h GLU 280 Ca 0.15 -0.15 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 3fyi h GLU 280 Cb 0.14 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3fyi h GLU 280 CO -0.17 0.64 0.29 1.96 -1.18 0.00 0.00 179.01 180.56 3fyi h GLN 281 N 0.54 0.07 0.00 1.92 4.20 -0.99 -1.86 115.11 118.98 3fyi h GLN 281 Ca 0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3fyi h GLN 281 Cb 0.44 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3fyi h GLN 281 CO 0.02 0.04 -0.56 0.45 -0.67 0.00 0.00 178.83 178.11 3fyi h HIS 282 N 0.07 0.00 -3.10 2.96 3.86 -1.04 -3.47 115.15 114.42 3fyi h HIS 282 Ca 0.20 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.86 3fyi h HIS 282 Cb 0.69 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 3fyi h HIS 282 CO -0.00 0.00 0.68 -1.58 0.86 0.00 0.00 177.93 177.89 3fyi s HIS 283 N -3.22 3.23 -0.18 2.45 5.04 -0.70 -5.02 115.29 116.87 3fyi s HIS 283 Ca 0.05 1.23 -0.11 0.00 -1.54 0.00 0.00 55.06 54.68 3fyi s HIS 283 Cb 0.11 -3.42 -0.05 0.00 0.04 0.00 0.00 32.58 29.26 3fyi s HIS 283 CO 0.72 -1.31 0.19 -1.01 -2.34 0.00 0.00 174.74 170.99 3fyi s HIS 284 N 2.03 3.43 -1.64 3.88 3.76 -1.26 -5.01 115.29 120.48 3fyi s HIS 284 Ca 0.56 0.43 0.13 0.00 -0.15 0.00 0.00 55.06 56.04 3fyi s HIS 284 Cb -0.25 -2.22 0.10 0.00 1.11 0.00 0.00 32.58 31.32 3fyi s HIS 284 CO 0.23 0.28 0.91 0.72 -0.85 0.00 0.00 174.74 176.04