#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fe4 h ALA 33 N 0.00 1.64 0.00 4.31 0.00 -2.06 -3.00 119.26 120.15 3fe4 h ALA 33 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fe4 h ALA 33 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fe4 h ALA 33 CO 0.00 0.24 -0.28 -2.39 0.00 0.00 0.00 179.25 176.82 3fe4 n HIS 34 N -4.25 0.52 -0.32 0.00 1.44 -1.26 -4.47 115.22 106.89 3fe4 n HIS 34 Ca -0.02 0.15 0.09 0.00 -2.01 0.00 0.00 57.72 55.93 3fe4 n HIS 34 Cb 0.26 -0.68 0.25 0.00 0.12 0.00 0.00 29.99 29.94 3fe4 n HIS 34 CO 0.00 0.00 0.00 -1.49 -2.81 0.00 0.00 176.34 172.04 3fe4 h TRP 35 N 0.00 0.89 0.00 -1.40 4.06 -1.90 -0.89 115.95 116.71 3fe4 h TRP 35 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3fe4 h TRP 35 Cb 0.67 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 3fe4 h TRP 35 CO 0.00 0.22 0.00 -1.35 -3.56 0.00 0.00 178.44 173.75 3fe4 h PRO 36 N 0.70 0.00 0.10 0.49 0.11 -1.78 -0.24 132.00 131.38 3fe4 h PRO 36 Ca 0.50 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.62 3fe4 h PRO 36 Cb 0.70 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3fe4 h PRO 36 CO -0.36 0.00 -0.19 0.37 -0.21 0.00 0.00 178.00 177.61 3fe4 h GLN 37 N 0.00 -0.35 0.00 1.05 4.15 -1.48 -3.33 115.11 115.14 3fe4 h GLN 37 Ca 0.00 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3fe4 h GLN 37 Cb 0.27 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 3fe4 h GLN 37 CO 0.00 -0.24 -1.80 0.72 -1.93 0.00 0.00 178.83 175.59 3fe4 n HIS 38 N -5.32 0.00 -3.85 3.99 8.25 -1.17 -4.76 115.22 112.36 3fe4 n HIS 38 Ca -0.06 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.06 3fe4 n HIS 38 Cb 0.24 -0.42 -0.12 0.00 1.12 0.00 0.00 29.99 30.80 3fe4 n HIS 38 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3fe4 s TYR 39 N -3.10 3.44 0.48 4.41 2.02 -0.11 -4.98 117.35 119.51 3fe4 s TYR 39 Ca -0.06 -2.85 0.18 0.00 -0.37 0.00 0.00 57.07 53.96 3fe4 s TYR 39 Cb 0.10 -3.04 1.22 0.00 -0.40 0.00 0.00 41.96 39.84 3fe4 s TYR 39 CO 0.70 -0.85 2.08 -1.00 -1.57 0.00 0.00 175.55 174.90 3fe4 h PRO 40 N 7.16 0.00 0.00 -1.71 0.13 -1.81 -0.95 132.00 134.82 3fe4 h PRO 40 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3fe4 h PRO 40 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 3fe4 h PRO 40 CO 0.67 0.10 -0.10 0.00 -0.23 0.00 0.00 178.00 178.43 3fe4 h ALA 41 N 1.90 1.49 0.00 -0.56 0.00 -1.88 -1.59 119.26 118.64 3fe4 h ALA 41 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3fe4 h ALA 41 Cb 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fe4 h ALA 41 CO 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.36 3fe4 n GLY 43 N -0.67 0.54 3.69 0.00 0.00 -0.60 -4.75 105.19 103.41 3fe4 n GLY 43 Ca -0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3fe4 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fe4 s GLY 44 N -0.97 1.61 0.00 -0.02 0.00 -0.42 -5.02 107.32 102.49 3fe4 s GLY 44 Ca 0.21 -0.82 0.24 0.00 0.00 0.00 0.00 44.72 44.35 3fe4 s GLY 44 CO 0.14 -0.05 1.28 -1.06 0.00 0.00 0.00 173.10 173.41 3fe4 n GLN 45 N -4.36 0.01 -2.71 2.90 1.13 -1.26 -4.53 117.38 108.56 3fe4 n GLN 45 Ca 0.11 -0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.92 3fe4 n GLN 45 Cb 0.59 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.43 3fe4 n GLN 45 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3fe4 n ARG 46 N -1.49 2.92 -3.07 -1.09 1.74 -1.26 -4.64 116.66 109.77 3fe4 n ARG 46 Ca 0.05 -4.40 -0.29 0.00 -0.77 0.00 0.00 57.85 52.45 3fe4 n ARG 46 Cb 0.33 -2.09 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 3fe4 n ARG 46 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fe4 s GLN 47 N -3.39 3.66 0.27 5.56 -1.52 -1.26 -2.87 119.66 120.12 3fe4 s GLN 47 Ca 0.45 0.18 0.11 0.00 -1.95 0.00 0.00 55.36 54.15 3fe4 s GLN 47 Cb 0.36 -2.52 -0.05 0.00 -0.22 0.00 0.00 33.01 30.58 3fe4 s GLN 47 CO -0.14 0.06 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.67 3fe4 s SER 48 N -3.34 3.39 0.94 5.90 0.01 -1.26 -4.68 113.70 114.66 3fe4 s SER 48 Ca 0.47 -1.05 -0.15 0.00 1.31 0.00 0.00 55.95 56.53 3fe4 s SER 48 Cb -0.10 -0.27 0.19 0.00 0.21 0.00 0.00 66.02 66.05 3fe4 s SER 48 CO 0.33 -0.04 1.30 -2.16 0.41 0.00 0.00 173.24 173.08 3fe4 s PRO 49 N -3.55 0.72 0.17 12.44 0.04 -1.26 -4.49 135.00 139.06 3fe4 s PRO 49 Ca 0.29 -0.47 0.02 0.00 0.04 0.00 0.00 61.00 60.88 3fe4 s PRO 49 Cb -0.03 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 3fe4 s PRO 49 CO 0.14 -2.34 -0.02 0.96 0.04 0.00 0.00 177.00 175.77 3fe4 s ILE 50 N -3.83 0.76 -0.15 0.56 -4.36 -1.26 -0.00 121.20 112.91 3fe4 s ILE 50 Ca 0.73 -1.99 -0.21 0.00 -0.26 0.00 0.00 60.65 58.92 3fe4 s ILE 50 Cb -0.04 -2.06 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 3fe4 s ILE 50 CO 0.52 -0.54 0.64 0.21 0.24 0.00 0.00 174.94 176.02 3fe4 s ASN 51 N -3.17 6.78 -0.50 4.36 2.47 -1.26 -2.67 114.94 120.94 3fe4 s ASN 51 Ca 0.22 0.94 -0.22 0.00 0.42 0.00 0.00 52.86 54.22 3fe4 s ASN 51 Cb 0.06 -2.36 0.04 0.00 -1.45 0.00 0.00 41.25 37.53 3fe4 s ASN 51 CO 0.03 -0.21 0.77 -0.76 -3.72 0.00 0.00 177.10 173.21 3fe4 s LEU 52 N 1.51 4.45 -0.42 3.21 1.02 0.07 -4.93 118.68 123.59 3fe4 s LEU 52 Ca 0.31 -0.48 -0.21 0.00 0.02 0.00 0.00 54.13 53.77 3fe4 s LEU 52 Cb -0.16 -2.72 0.02 0.00 0.02 0.00 0.00 46.19 43.35 3fe4 s LEU 52 CO 0.12 -1.01 0.66 -1.10 0.02 0.00 0.00 176.35 175.05 3fe4 s GLN 53 N 3.27 3.39 0.50 1.70 -0.21 -1.26 -0.64 119.66 126.41 3fe4 s GLN 53 Ca 0.24 -0.24 0.26 0.00 0.02 0.00 0.00 55.36 55.65 3fe4 s GLN 53 Cb -0.15 -3.92 1.35 0.00 1.00 0.00 0.00 33.01 31.29 3fe4 s GLN 53 CO 0.17 -0.96 2.03 0.00 -2.12 0.00 0.00 175.29 174.41 3fe4 h ARG 54 N 8.80 0.00 0.00 2.91 3.08 -1.97 -1.29 114.38 125.91 3fe4 h ARG 54 Ca -0.26 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3fe4 h ARG 54 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3fe4 h ARG 54 CO 0.89 0.14 -0.26 1.79 -1.07 0.00 0.00 179.97 181.46 3fe4 h THR 55 N 0.00 0.61 -0.04 2.04 1.35 -2.03 -3.05 112.91 111.79 3fe4 h THR 55 Ca -0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 3fe4 h THR 55 Cb 0.40 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3fe4 h THR 55 CO 0.02 0.26 0.00 0.29 -0.25 0.00 0.00 175.52 175.84 3fe4 n LYS 56 N -3.39 1.92 -2.60 4.72 4.01 -0.50 -4.95 118.16 117.36 3fe4 n LYS 56 Ca 0.00 -1.34 -0.41 0.00 -0.51 0.00 0.00 58.31 56.06 3fe4 n LYS 56 Cb 0.47 -1.47 -0.04 0.00 -0.51 0.00 0.00 35.03 33.48 3fe4 n LYS 56 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3fe4 s VAL 57 N -1.97 4.16 -0.24 -0.18 1.01 -1.14 -4.59 120.40 117.45 3fe4 s VAL 57 Ca 0.34 1.81 -0.13 0.00 0.00 0.00 0.00 61.98 64.01 3fe4 s VAL 57 Cb 0.21 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3fe4 s VAL 57 CO 0.32 0.28 0.27 -0.60 0.00 0.00 0.00 175.10 175.37 3fe4 s ARG 58 N -0.11 4.06 -0.13 2.72 3.52 0.04 -4.93 118.95 124.13 3fe4 s ARG 58 Ca 0.49 -0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.70 3fe4 s ARG 58 Cb -0.27 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 3fe4 s ARG 58 CO 0.32 -0.07 1.47 -0.47 -0.81 0.00 0.00 175.30 175.74 3fe4 s TYR 59 N 1.44 2.38 -0.52 5.12 5.04 -1.26 -0.94 117.35 128.61 3fe4 s TYR 59 Ca 0.12 0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 55.31 3fe4 s TYR 59 Cb -0.15 -3.75 0.14 0.00 0.35 0.00 0.00 41.96 38.55 3fe4 s TYR 59 CO 0.08 -2.76 0.34 1.21 -1.34 0.00 0.00 175.55 173.08 3fe4 s ASN 60 N 2.85 5.38 0.43 4.32 3.84 0.21 -4.90 114.94 127.08 3fe4 s ASN 60 Ca 0.65 -2.36 0.26 0.00 0.21 0.00 0.00 52.86 51.61 3fe4 s ASN 60 Cb -0.27 -1.88 1.43 0.00 -0.55 0.00 0.00 41.25 39.97 3fe4 s ASN 60 CO 0.23 -0.50 1.79 1.55 -2.79 0.00 0.00 177.10 177.37 3fe4 h PRO 61 N 7.70 0.00 -0.00 0.43 0.13 -1.92 -1.03 132.00 137.31 3fe4 h PRO 61 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3fe4 h PRO 61 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3fe4 h PRO 61 CO 0.73 0.00 -0.07 -1.13 -0.23 0.00 0.00 178.00 177.30 3fe4 n SER 62 N -2.47 0.12 -4.70 1.44 3.41 -1.26 -4.65 113.62 105.51 3fe4 n SER 62 Ca -0.02 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 3fe4 n SER 62 Cb 0.12 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3fe4 n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fe4 s LEU 63 N -2.84 4.33 0.00 1.04 1.43 -0.39 -4.98 118.68 117.27 3fe4 s LEU 63 Ca 0.19 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 3fe4 s LEU 63 Cb 0.19 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3fe4 s LEU 63 CO 0.53 -0.29 0.00 0.29 0.23 0.00 0.00 176.35 177.11 3fe4 n LYS 64 N 4.19 2.19 -2.31 1.70 5.02 -1.26 -4.82 118.16 122.87 3fe4 n LYS 64 Ca 0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.09 3fe4 n LYS 64 Cb 0.50 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.57 3fe4 n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3fe4 s GLY 65 N 0.00 1.70 0.38 0.72 0.00 -1.26 -4.93 107.32 103.93 3fe4 s GLY 65 Ca 0.00 -0.98 0.28 0.00 0.00 0.00 0.00 44.72 44.02 3fe4 s GLY 65 CO 0.00 -0.61 1.81 1.41 0.00 0.00 0.00 173.10 175.71 3fe4 h LEU 66 N -0.43 0.00 -3.16 0.66 3.38 -1.82 -3.44 115.31 110.50 3fe4 h LEU 66 Ca -0.44 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.12 3fe4 h LEU 66 Cb 1.31 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.15 3fe4 h LEU 66 CO 0.59 0.00 -0.91 0.59 0.09 0.00 0.00 178.44 178.80 3fe4 n ASN 67 N -2.67 -5.52 -4.74 -0.43 5.03 -1.26 -2.13 115.26 103.55 3fe4 n ASN 67 Ca 0.02 -0.96 -0.39 0.00 0.87 0.00 0.00 54.58 54.12 3fe4 n ASN 67 Cb 0.33 -3.52 -0.05 0.00 -1.02 0.00 0.00 39.78 35.52 3fe4 n ASN 67 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3fe4 s MET 68 N -5.74 4.40 -0.01 3.52 -1.94 -1.26 -2.64 119.30 115.63 3fe4 s MET 68 Ca 0.45 0.83 0.03 0.00 -1.71 0.00 0.00 55.69 55.29 3fe4 s MET 68 Cb -0.15 -3.39 -0.00 0.00 2.01 0.00 0.00 34.83 33.29 3fe4 s MET 68 CO 0.85 0.23 -0.08 0.95 -0.01 0.00 0.00 175.02 176.95 3fe4 s THR 69 N 0.26 0.68 0.00 2.05 -4.23 0.11 -4.88 115.64 109.62 3fe4 s THR 69 Ca 0.35 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 3fe4 s THR 69 Cb -0.18 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.07 3fe4 s THR 69 CO 0.18 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 3fe4 n GLY 70 N 3.00 0.67 0.59 3.99 0.00 -1.26 -1.58 105.19 110.60 3fe4 n GLY 70 Ca -0.15 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.79 3fe4 n GLY 70 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fe4 n TYR 71 N -2.62 0.00 -1.05 1.61 4.02 -1.26 -4.40 117.16 113.46 3fe4 n TYR 71 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3fe4 n TYR 71 Cb 0.00 -0.02 0.24 0.00 -0.02 0.00 0.00 39.34 39.54 3fe4 n TYR 71 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3fe4 s GLU 72 N -2.18 -1.23 0.26 -0.72 1.03 -1.26 -1.40 118.70 113.21 3fe4 s GLU 72 Ca 0.29 -0.03 -0.31 0.00 0.03 0.00 0.00 54.97 54.95 3fe4 s GLU 72 Cb 0.20 -1.59 -0.12 0.00 -0.80 0.00 0.00 34.13 31.81 3fe4 s GLU 72 CO 0.40 -3.72 1.57 -2.37 -1.33 0.00 0.00 175.26 169.81 3fe4 n THR 73 N -4.77 0.82 -3.49 1.83 5.66 -1.26 -4.52 114.28 108.54 3fe4 n THR 73 Ca 0.13 -0.20 -0.15 0.00 -3.05 0.00 0.00 64.05 60.78 3fe4 n THR 73 Cb 0.59 -1.83 -0.04 0.00 -1.55 0.00 0.00 70.33 67.51 3fe4 n THR 73 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fe4 s GLN 74 N -0.19 1.14 0.81 1.09 -2.07 -0.95 -5.00 119.66 114.50 3fe4 s GLN 74 Ca 0.67 -0.14 -0.12 0.00 -1.82 0.00 0.00 55.36 53.96 3fe4 s GLN 74 Cb -0.54 0.53 0.09 0.00 -1.09 0.00 0.00 33.01 31.99 3fe4 s GLN 74 CO 0.46 -0.43 1.18 0.00 -1.32 0.00 0.00 175.29 175.18 3fe4 s ALA 75 N -2.48 2.66 0.00 2.60 0.00 -1.26 -2.10 121.76 121.18 3fe4 s ALA 75 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3fe4 s ALA 75 Cb -0.01 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3fe4 s ALA 75 CO -0.02 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.44 3fe4 n GLY 76 N -3.32 1.84 3.64 0.00 0.00 -0.69 -4.84 105.19 101.81 3fe4 n GLY 76 Ca 0.09 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 3fe4 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fe4 s GLU 77 N -1.41 4.02 -0.49 1.61 8.01 -1.26 -2.89 118.70 126.30 3fe4 s GLU 77 Ca 0.00 -0.30 0.03 0.00 0.01 0.00 0.00 54.97 54.71 3fe4 s GLU 77 Cb 0.00 -3.45 0.14 0.00 -4.31 0.00 0.00 34.13 26.51 3fe4 s GLU 77 CO 0.00 0.10 0.27 -0.06 0.01 0.00 0.00 175.26 175.58 3fe4 s PHE 78 N 0.91 2.49 0.33 1.61 0.40 -0.04 -4.88 117.98 118.80 3fe4 s PHE 78 Ca 0.07 -2.75 -0.29 0.00 -0.60 0.00 0.00 56.93 53.35 3fe4 s PHE 78 Cb -0.13 -2.25 -0.12 0.00 0.51 0.00 0.00 43.02 41.03 3fe4 s PHE 78 CO 0.03 -0.75 1.44 -2.30 0.70 0.00 0.00 175.22 174.34 3fe4 n PRO 79 N 3.26 2.42 -4.04 0.24 -0.02 -1.26 -1.79 135.00 133.80 3fe4 n PRO 79 Ca 0.09 0.85 -0.22 0.00 -2.02 0.00 0.00 63.50 62.20 3fe4 n PRO 79 Cb 0.34 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 3fe4 n PRO 79 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3fe4 s MET 80 N -1.44 0.95 0.02 -0.52 1.75 0.21 -1.01 119.30 119.25 3fe4 s MET 80 Ca 0.58 -0.09 0.03 0.00 -1.25 0.00 0.00 55.69 54.96 3fe4 s MET 80 Cb -0.53 -1.05 -0.02 0.00 2.84 0.00 0.00 34.83 36.07 3fe4 s MET 80 CO 0.58 -0.17 -0.08 0.54 -0.65 0.00 0.00 175.02 175.24 3fe4 s VAL 81 N 1.34 0.64 -0.46 10.11 0.11 -0.16 -0.96 120.40 131.01 3fe4 s VAL 81 Ca -0.04 -0.71 -0.20 0.00 -2.93 0.00 0.00 61.98 58.10 3fe4 s VAL 81 Cb -0.14 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3fe4 s VAL 81 CO -0.03 -0.07 0.63 0.21 -3.33 0.00 0.00 175.10 172.51 3fe4 s ASN 82 N -0.86 6.28 0.00 3.54 3.84 -0.93 -1.23 114.94 125.57 3fe4 s ASN 82 Ca -0.02 -0.52 0.16 0.00 0.21 0.00 0.00 52.86 52.68 3fe4 s ASN 82 Cb -0.06 -2.31 0.45 0.00 -0.55 0.00 0.00 41.25 38.78 3fe4 s ASN 82 CO 0.00 -0.81 1.37 -0.46 -2.79 0.00 0.00 177.10 174.42 3fe4 n ASN 83 N 6.22 2.63 0.00 -4.21 0.23 -0.89 0.41 115.26 119.65 3fe4 n ASN 83 Ca -0.03 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 3fe4 n ASN 83 Cb 0.47 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3fe4 n ASN 83 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fe4 n GLY 84 N 1.29 3.33 0.00 4.83 0.00 -1.26 -4.74 105.19 108.63 3fe4 n GLY 84 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3fe4 n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fe4 n HIS 85 N -1.77 0.00 -3.90 1.61 8.25 -1.26 -4.59 115.22 113.56 3fe4 n HIS 85 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3fe4 n HIS 85 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 3fe4 n HIS 85 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3fe4 s THR 86 N -1.78 0.00 -0.15 1.59 -1.32 -1.26 -4.94 115.64 107.78 3fe4 s THR 86 Ca 0.00 -1.19 -0.14 0.00 -1.21 0.00 0.00 61.69 59.15 3fe4 s THR 86 Cb 0.00 -2.74 -0.05 0.00 -1.51 0.00 0.00 72.50 68.21 3fe4 s THR 86 CO 0.00 0.00 0.29 0.54 -2.21 0.00 0.00 174.62 173.24 3fe4 s VAL 87 N -2.68 5.30 -0.06 5.08 0.11 -1.26 -2.10 120.40 124.80 3fe4 s VAL 87 Ca 0.20 0.55 0.05 0.00 -2.93 0.00 0.00 61.98 59.85 3fe4 s VAL 87 Cb -0.04 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.18 3fe4 s VAL 87 CO 0.14 0.41 -0.23 -1.58 -3.33 0.00 0.00 175.10 170.51 3fe4 s GLN 88 N 0.33 2.45 -0.22 1.54 0.74 -0.37 -3.72 119.66 120.41 3fe4 s GLN 88 Ca 0.17 -0.82 -0.04 0.00 0.05 0.00 0.00 55.36 54.72 3fe4 s GLN 88 Cb -0.13 -2.03 -0.01 0.00 1.10 0.00 0.00 33.01 31.95 3fe4 s GLN 88 CO 0.04 0.30 -0.04 0.42 -0.55 0.00 0.00 175.29 175.46 3fe4 s ILE 89 N 0.01 3.35 0.25 -2.34 1.01 0.45 -0.99 121.20 122.92 3fe4 s ILE 89 Ca -0.07 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 3fe4 s ILE 89 Cb -0.14 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 3fe4 s ILE 89 CO 0.04 0.40 1.09 -0.44 0.00 0.00 0.00 174.94 176.04 3fe4 s SER 90 N 1.47 7.29 0.14 3.58 0.01 -0.18 -0.90 113.70 125.12 3fe4 s SER 90 Ca 0.05 2.19 0.10 0.00 1.31 0.00 0.00 55.95 59.61 3fe4 s SER 90 Cb -0.14 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3fe4 s SER 90 CO -0.03 -0.14 -0.22 -0.76 0.41 0.00 0.00 173.24 172.50 3fe4 s LEU 91 N -1.10 2.54 0.54 2.44 1.43 -0.26 -4.27 118.68 120.00 3fe4 s LEU 91 Ca 0.46 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 3fe4 s LEU 91 Cb -0.31 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 3fe4 s LEU 91 CO 0.38 0.16 0.98 -2.16 0.23 0.00 0.00 176.35 175.94 3fe4 s PRO 92 N -2.27 3.81 0.00 1.29 0.04 -1.26 -4.62 135.00 131.99 3fe4 s PRO 92 Ca 0.18 0.83 0.22 0.00 0.04 0.00 0.00 61.00 62.27 3fe4 s PRO 92 Cb -0.10 -2.14 1.34 0.00 0.04 0.00 0.00 34.50 33.64 3fe4 s PRO 92 CO 0.09 -0.35 1.78 -1.13 0.04 0.00 0.00 177.00 177.43 3fe4 n SER 93 N -1.97 0.00 -0.11 6.66 3.41 -1.26 -1.67 113.62 118.67 3fe4 n SER 93 Ca 0.06 -1.00 0.14 0.00 -0.26 0.00 0.00 58.87 57.81 3fe4 n SER 93 Cb 0.54 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.14 3fe4 n SER 93 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3fe4 n THR 94 N -0.91 0.00 -3.03 6.66 -2.24 -1.26 -4.69 114.28 108.81 3fe4 n THR 94 Ca 0.17 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 3fe4 n THR 94 Cb 0.08 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 3fe4 n THR 94 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3fe4 s MET 95 N -2.41 3.72 -0.01 -0.78 -1.94 -0.67 -4.21 119.30 113.00 3fe4 s MET 95 Ca 0.31 0.20 -0.08 0.00 -1.71 0.00 0.00 55.69 54.41 3fe4 s MET 95 Cb 0.20 -3.81 0.01 0.00 2.01 0.00 0.00 34.83 33.24 3fe4 s MET 95 CO 0.46 -0.79 0.16 1.03 -0.01 0.00 0.00 175.02 175.87 3fe4 s ARG 96 N 2.91 0.47 0.10 2.03 0.52 -0.61 -0.72 118.95 123.65 3fe4 s ARG 96 Ca 0.28 -0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.27 3fe4 s ARG 96 Cb -0.14 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.50 3fe4 s ARG 96 CO 0.16 -0.11 -0.18 0.00 0.02 0.00 0.00 175.30 175.18 3fe4 s MET 97 N -1.19 1.03 -0.11 3.54 0.23 -0.48 -0.72 119.30 121.60 3fe4 s MET 97 Ca -0.13 -1.11 0.02 0.00 -1.03 0.00 0.00 55.69 53.44 3fe4 s MET 97 Cb -0.07 -1.19 0.01 0.00 -1.53 0.00 0.00 34.83 32.06 3fe4 s MET 97 CO 0.02 0.27 -0.17 0.99 -2.03 0.00 0.00 175.02 174.10 3fe4 s THR 98 N -1.28 1.64 0.72 3.16 2.01 -0.90 -0.49 115.64 120.49 3fe4 s THR 98 Ca 0.04 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 3fe4 s THR 98 Cb -0.10 -1.48 0.12 0.00 0.01 0.00 0.00 72.50 71.05 3fe4 s THR 98 CO 0.04 0.47 1.00 0.68 -0.69 0.00 0.00 174.62 176.11 3fe4 s VAL 99 N 0.89 2.20 0.21 3.82 -7.23 -0.73 -4.09 120.40 115.48 3fe4 s VAL 99 Ca -0.08 -0.53 -0.10 0.00 -1.81 0.00 0.00 61.98 59.46 3fe4 s VAL 99 Cb -0.15 -2.67 0.17 0.00 0.56 0.00 0.00 36.38 34.29 3fe4 s VAL 99 CO -0.01 0.00 1.69 0.00 -0.31 0.00 0.00 175.10 176.48 3fe4 h ALA 100 N -0.55 0.69 0.00 1.32 0.00 -1.90 -0.60 119.26 118.23 3fe4 h ALA 100 Ca -0.38 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fe4 h ALA 100 Cb 1.27 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3fe4 h ALA 100 CO 0.43 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 178.94 3fe4 n ASP 101 N -5.17 0.00 0.00 0.00 5.75 -1.26 -4.86 116.55 111.00 3fe4 n ASP 101 Ca 0.09 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 3fe4 n ASP 101 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3fe4 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fe4 n GLY 102 N 0.71 0.73 3.74 6.12 0.00 -0.23 -5.04 105.19 111.21 3fe4 n GLY 102 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3fe4 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fe4 s THR 103 N -2.34 2.16 -0.19 2.61 2.01 -1.26 -4.73 115.64 113.90 3fe4 s THR 103 Ca 0.00 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 3fe4 s THR 103 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 3fe4 s THR 103 CO 0.00 0.02 0.07 -0.69 -0.69 0.00 0.00 174.62 173.32 3fe4 s VAL 104 N 0.41 4.79 -0.13 3.82 1.01 -1.26 -1.77 120.40 127.28 3fe4 s VAL 104 Ca 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 3fe4 s VAL 104 Cb -0.47 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3fe4 s VAL 104 CO 0.42 0.45 -0.10 -0.31 0.00 0.00 0.00 175.10 175.56 3fe4 s TYR 105 N 0.47 2.88 -0.22 5.22 1.51 0.35 -0.85 117.35 126.71 3fe4 s TYR 105 Ca 0.03 -0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 55.54 3fe4 s TYR 105 Cb -0.13 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 3fe4 s TYR 105 CO 0.01 -0.08 0.18 0.42 -1.11 0.00 0.00 175.55 174.96 3fe4 s ILE 106 N 0.18 5.36 0.31 2.71 1.01 0.62 -1.39 121.20 130.00 3fe4 s ILE 106 Ca -0.05 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 3fe4 s ILE 106 Cb -0.15 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 3fe4 s ILE 106 CO 0.04 0.37 1.43 0.00 0.00 0.00 0.00 174.94 176.78 3fe4 s ALA 107 N 0.81 3.59 -0.07 9.38 0.00 0.10 -0.73 121.76 134.84 3fe4 s ALA 107 Ca 0.09 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 3fe4 s ALA 107 Cb -0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3fe4 s ALA 107 CO 0.03 -0.83 -0.09 0.94 0.00 0.00 0.00 175.76 175.81 3fe4 n GLN 108 N 1.35 0.15 -3.48 0.00 -0.06 0.62 -4.50 117.38 111.45 3fe4 n GLN 108 Ca 0.03 0.06 -0.14 0.00 -2.00 0.00 0.00 57.00 54.95 3fe4 n GLN 108 Cb 0.40 -0.75 -0.04 0.00 -4.06 0.00 0.00 30.24 25.79 3fe4 n GLN 108 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 3fe4 s GLN 109 N -2.13 1.11 -0.03 3.69 1.03 -1.14 -1.11 119.66 121.08 3fe4 s GLN 109 Ca -0.10 -0.08 0.06 0.00 0.04 0.00 0.00 55.36 55.28 3fe4 s GLN 109 Cb 0.04 0.52 -0.01 0.00 0.03 0.00 0.00 33.01 33.58 3fe4 s GLN 109 CO 0.12 -0.42 -0.23 1.41 -2.54 0.00 0.00 175.29 173.64 3fe4 s MET 110 N -2.36 2.07 0.34 9.60 1.75 -0.08 -0.35 119.30 130.26 3fe4 s MET 110 Ca -0.04 -0.82 -0.06 0.00 -1.25 0.00 0.00 55.69 53.52 3fe4 s MET 110 Cb -0.01 -1.88 0.01 0.00 2.84 0.00 0.00 34.83 35.80 3fe4 s MET 110 CO -0.01 0.42 0.52 -3.38 -0.65 0.00 0.00 175.02 171.92 3fe4 s HIS 111 N -0.33 0.84 0.02 4.11 -3.43 -0.23 -0.41 115.29 115.85 3fe4 s HIS 111 Ca 0.03 -1.16 0.03 0.00 -0.80 0.00 0.00 55.06 53.16 3fe4 s HIS 111 Cb -0.11 0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.12 3fe4 s HIS 111 CO 0.01 -1.19 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.42 3fe4 s PHE 112 N -3.05 0.76 -0.16 0.38 0.08 -1.24 -1.43 117.98 113.31 3fe4 s PHE 112 Ca 0.27 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.04 3fe4 s PHE 112 Cb -0.01 -0.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.96 3fe4 s PHE 112 CO 0.18 -0.02 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.15 3fe4 s HIS 113 N -0.64 2.85 0.19 0.36 3.76 0.38 -4.70 115.29 117.48 3fe4 s HIS 113 Ca -0.01 -0.85 -0.02 0.00 -0.15 0.00 0.00 55.06 54.03 3fe4 s HIS 113 Cb -0.06 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 3fe4 s HIS 113 CO 0.00 -0.38 0.14 1.67 -0.85 0.00 0.00 174.74 175.33 3fe4 s TRP 114 N 0.79 1.01 0.00 1.40 -2.14 -1.24 -1.21 118.94 117.55 3fe4 s TRP 114 Ca -0.04 -1.28 0.00 0.00 2.66 0.00 0.00 56.10 57.44 3fe4 s TRP 114 Cb -0.15 -0.47 0.00 0.00 -3.10 0.00 0.00 33.47 29.75 3fe4 s TRP 114 CO 0.01 -0.64 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 3fe4 n GLY 115 N -0.24 1.16 1.39 3.67 0.00 -1.25 -4.46 105.19 105.47 3fe4 n GLY 115 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fe4 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fe4 n GLY 116 N 4.98 0.65 3.68 -0.02 0.00 -1.26 -4.78 105.19 108.44 3fe4 n GLY 116 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3fe4 n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fe4 s ILE 121 N -2.93 4.87 0.00 -0.61 1.01 -1.26 -5.13 121.20 117.15 3fe4 s ILE 121 Ca 0.00 1.76 0.10 0.00 0.00 0.00 0.00 60.65 62.51 3fe4 s ILE 121 Cb 0.00 -4.19 0.17 0.00 0.01 0.00 0.00 42.46 38.45 3fe4 s ILE 121 CO 0.00 0.06 1.02 -1.54 0.00 0.00 0.00 174.94 174.48 3fe4 n SER 122 N 4.88 0.30 -0.10 3.58 3.41 -1.26 -4.89 113.62 119.54 3fe4 n SER 122 Ca 0.05 -1.90 -0.16 0.00 -0.26 0.00 0.00 58.87 56.60 3fe4 n SER 122 Cb 0.49 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 3fe4 n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fe4 n GLY 123 N 0.19 -0.81 3.81 5.00 0.00 -1.12 -4.02 105.19 108.24 3fe4 n GLY 123 Ca -0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3fe4 n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fe4 s SER 124 N -6.48 5.95 -0.13 1.61 1.04 -0.34 -3.66 113.70 111.69 3fe4 s SER 124 Ca -0.25 1.74 -0.20 0.00 0.48 0.00 0.00 55.95 57.72 3fe4 s SER 124 Cb 0.05 -2.52 -0.25 0.00 0.10 0.00 0.00 66.02 63.40 3fe4 s SER 124 CO 0.44 -1.05 0.53 -0.33 0.98 0.00 0.00 173.24 173.80 3fe4 h GLU 125 N 0.46 0.14 -6.94 4.02 5.08 -1.92 -3.45 114.58 111.98 3fe4 h GLU 125 Ca -0.47 -0.24 -0.48 0.00 -1.00 0.00 0.00 59.36 57.17 3fe4 h GLU 125 Cb 1.21 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3fe4 h GLU 125 CO 0.58 1.12 0.22 -1.01 -1.00 0.00 0.00 179.01 178.92 3fe4 s HIS 126 N -2.40 3.39 0.27 4.33 3.76 -1.26 -4.66 115.29 118.72 3fe4 s HIS 126 Ca -0.22 1.33 0.10 0.00 -0.15 0.00 0.00 55.06 56.12 3fe4 s HIS 126 Cb 0.03 -2.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.02 3fe4 s HIS 126 CO 0.71 -0.10 -0.16 0.95 -0.85 0.00 0.00 174.74 175.30 3fe4 s THR 127 N -2.26 2.15 -0.13 1.30 -4.23 -1.09 -4.55 115.64 106.83 3fe4 s THR 127 Ca 0.56 -2.30 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3fe4 s THR 127 Cb -0.10 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.49 3fe4 s THR 127 CO 0.22 -0.42 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.13 3fe4 s VAL 128 N -2.71 1.04 -1.57 2.29 1.01 -0.21 -0.75 120.40 119.50 3fe4 s VAL 128 Ca 0.28 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3fe4 s VAL 128 Cb -0.02 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.34 3fe4 s VAL 128 CO 0.13 0.27 0.91 0.47 0.00 0.00 0.00 175.10 176.88 3fe4 n ASP 129 N 4.92 -4.17 0.00 3.32 8.00 0.19 -0.77 116.55 128.04 3fe4 n ASP 129 Ca -0.12 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3fe4 n ASP 129 Cb 0.49 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 3fe4 n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fe4 n GLY 130 N -1.61 2.50 3.69 0.44 0.00 -1.26 -5.02 105.19 103.93 3fe4 n GLY 130 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3fe4 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fe4 s ILE 131 N -2.76 5.04 -0.04 -0.61 -1.09 0.05 -5.02 121.20 116.77 3fe4 s ILE 131 Ca 0.00 1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 59.60 3fe4 s ILE 131 Cb 0.00 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 3fe4 s ILE 131 CO 0.00 0.19 0.30 -0.60 -1.23 0.00 0.00 174.94 173.60 3fe4 s ARG 132 N 1.32 3.72 0.37 2.79 3.52 -1.26 -1.04 118.95 128.37 3fe4 s ARG 132 Ca 0.33 0.19 0.07 0.00 -0.13 0.00 0.00 55.73 56.19 3fe4 s ARG 132 Cb -0.16 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3fe4 s ARG 132 CO 0.13 0.72 0.38 -1.01 -0.81 0.00 0.00 175.30 174.72 3fe4 s HIS 133 N -1.07 2.87 0.12 5.12 3.76 -1.26 -4.85 115.29 119.98 3fe4 s HIS 133 Ca 0.21 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 3fe4 s HIS 133 Cb -0.15 -2.00 -0.12 0.00 1.11 0.00 0.00 32.58 31.42 3fe4 s HIS 133 CO 0.10 -0.01 1.33 -0.39 -0.85 0.00 0.00 174.74 174.93 3fe4 h VAL 134 N 1.05 1.29 -3.94 -0.90 -1.51 -1.95 -0.85 116.25 109.44 3fe4 h VAL 134 Ca -0.43 -1.98 -0.21 0.00 -1.23 0.00 0.00 66.70 62.84 3fe4 h VAL 134 Cb 1.26 1.97 -0.22 0.00 -2.13 0.00 0.00 31.29 32.17 3fe4 h VAL 134 CO 0.55 0.62 -0.71 -0.63 -1.23 0.00 0.00 177.57 176.17 3fe4 s ILE 135 N -3.76 0.22 -0.06 7.19 1.01 -1.26 -3.84 121.20 120.70 3fe4 s ILE 135 Ca -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3fe4 s ILE 135 Cb 0.09 -0.32 -0.00 0.00 0.01 0.00 0.00 42.46 42.24 3fe4 s ILE 135 CO 0.90 -0.37 -0.20 -0.70 0.00 0.00 0.00 174.94 174.57 3fe4 s GLU 136 N -1.21 2.24 -0.16 2.79 2.12 -0.35 -1.31 118.70 122.82 3fe4 s GLU 136 Ca -0.11 -0.71 -0.06 0.00 0.36 0.00 0.00 54.97 54.44 3fe4 s GLU 136 Cb -0.08 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 3fe4 s GLU 136 CO -0.00 0.23 0.06 0.42 -0.54 0.00 0.00 175.26 175.43 3fe4 s ILE 137 N 0.15 4.80 -0.13 -3.70 1.01 0.59 -0.47 121.20 123.44 3fe4 s ILE 137 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3fe4 s ILE 137 Cb -0.14 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3fe4 s ILE 137 CO 0.04 0.51 -0.19 -1.00 0.00 0.00 0.00 174.94 174.30 3fe4 s HIS 138 N -0.04 2.46 -0.31 3.97 3.76 -0.52 -1.35 115.29 123.26 3fe4 s HIS 138 Ca 0.06 -1.25 -0.07 0.00 -0.15 0.00 0.00 55.06 53.65 3fe4 s HIS 138 Cb -0.12 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 31.88 3fe4 s HIS 138 CO 0.01 -0.59 0.10 0.42 -0.85 0.00 0.00 174.74 173.83 3fe4 s ILE 139 N 0.94 4.05 -0.14 0.60 1.01 0.03 -1.06 121.20 126.63 3fe4 s ILE 139 Ca -0.05 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3fe4 s ILE 139 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3fe4 s ILE 139 CO -0.03 0.01 0.42 -0.69 0.00 0.00 0.00 174.94 174.64 3fe4 s VAL 140 N 1.50 5.22 0.20 2.92 1.01 0.52 -1.21 120.40 130.57 3fe4 s VAL 140 Ca 0.02 0.81 0.09 0.00 0.00 0.00 0.00 61.98 62.90 3fe4 s VAL 140 Cb -0.18 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3fe4 s VAL 140 CO 0.03 0.33 -0.17 -1.00 0.00 0.00 0.00 175.10 174.30 3fe4 s HIS 141 N 0.70 1.84 0.09 5.22 3.76 0.13 -0.28 115.29 126.75 3fe4 s HIS 141 Ca 0.22 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 3fe4 s HIS 141 Cb -0.14 -0.86 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 3fe4 s HIS 141 CO 0.08 0.41 -0.19 1.52 -0.85 0.00 0.00 174.74 175.70 3fe4 s TYR 142 N -2.60 1.67 0.07 1.40 -0.85 0.10 -1.29 117.35 115.84 3fe4 s TYR 142 Ca 0.22 -0.42 -0.31 0.00 -0.52 0.00 0.00 57.07 56.04 3fe4 s TYR 142 Cb -0.03 -0.93 -0.07 0.00 0.38 0.00 0.00 41.96 41.31 3fe4 s TYR 142 CO 0.08 0.16 1.49 1.21 -1.52 0.00 0.00 175.55 176.98 3fe4 s ASN 143 N -1.78 6.74 0.29 -0.18 3.84 0.78 -0.28 114.94 124.36 3fe4 s ASN 143 Ca 0.05 2.33 0.23 0.00 0.21 0.00 0.00 52.86 55.68 3fe4 s ASN 143 Cb -0.10 -2.57 1.08 0.00 -0.55 0.00 0.00 41.25 39.11 3fe4 s ASN 143 CO 0.04 -0.77 1.71 -1.54 -2.79 0.00 0.00 177.10 173.74 3fe4 n SER 144 N 4.96 0.65 0.18 -4.21 3.41 -0.03 -1.56 113.62 117.02 3fe4 n SER 144 Ca 0.14 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.59 3fe4 n SER 144 Cb 0.42 -0.83 0.61 0.00 -0.26 0.00 0.00 64.21 64.15 3fe4 n SER 144 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3fe4 h LYS 145 N 0.00 0.00 -6.00 4.33 2.10 -1.91 -3.43 116.57 111.66 3fe4 h LYS 145 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 3fe4 h LYS 145 Cb 0.22 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.50 3fe4 h LYS 145 CO 0.00 0.00 -0.53 0.71 -2.00 0.00 0.00 179.45 177.63 3fe4 s TYR 146 N -3.52 3.41 -0.04 0.07 2.02 -0.60 -5.03 117.35 113.66 3fe4 s TYR 146 Ca 0.00 0.19 0.24 0.00 -0.37 0.00 0.00 57.07 57.14 3fe4 s TYR 146 Cb 0.08 -1.71 0.75 0.00 -0.40 0.00 0.00 41.96 40.68 3fe4 s TYR 146 CO 0.32 0.57 1.75 0.87 -1.57 0.00 0.00 175.55 177.49 3fe4 h LYS 147 N 3.13 0.00 -3.42 -0.62 1.79 -1.86 -3.46 116.57 112.13 3fe4 h LYS 147 Ca -0.46 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.96 3fe4 h LYS 147 Cb 1.16 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.68 3fe4 h LYS 147 CO 0.73 0.17 -0.10 -1.54 -1.08 0.00 0.00 179.45 177.63 3fe4 s SER 148 N -6.13 -0.20 0.21 0.86 1.04 -1.26 -5.04 113.70 103.18 3fe4 s SER 148 Ca 0.03 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 3fe4 s SER 148 Cb 0.08 0.46 0.29 0.00 0.10 0.00 0.00 66.02 66.95 3fe4 s SER 148 CO 0.64 -0.84 1.74 0.22 0.98 0.00 0.00 173.24 175.98 3fe4 h TYR 149 N 2.42 0.37 -0.51 5.02 3.20 -1.95 -1.67 116.97 123.84 3fe4 h TYR 149 Ca -0.34 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.52 3fe4 h TYR 149 Cb 1.25 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 3fe4 h TYR 149 CO 0.34 0.08 0.14 -0.44 -1.64 0.00 0.00 178.16 176.63 3fe4 h ASP 150 N 0.38 0.71 -0.13 -2.11 3.32 -2.00 -1.01 116.42 115.58 3fe4 h ASP 150 Ca 0.31 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3fe4 h ASP 150 Cb 0.40 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3fe4 h ASP 150 CO -0.32 0.69 -0.11 0.40 -1.72 0.00 0.00 179.24 178.17 3fe4 h ILE 151 N 0.74 1.34 -0.52 0.35 2.04 -1.93 -3.23 117.51 116.30 3fe4 h ILE 151 Ca 0.17 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 64.86 3fe4 h ILE 151 Cb 0.25 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3fe4 h ILE 151 CO -0.01 0.36 0.35 0.00 0.00 0.00 0.00 178.15 178.85 3fe4 h ALA 152 N 0.62 1.89 -0.03 1.87 0.00 -0.93 -2.73 119.26 119.95 3fe4 h ALA 152 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fe4 h ALA 152 Cb 0.62 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fe4 h ALA 152 CO 0.03 0.03 0.06 1.96 0.00 0.00 0.00 179.25 181.32 3fe4 h GLN 153 N 0.47 0.00 -0.17 0.00 4.20 -1.21 -1.63 115.11 116.77 3fe4 h GLN 153 Ca 0.22 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3fe4 h GLN 153 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3fe4 h GLN 153 CO -0.06 0.00 -0.05 -3.47 -0.67 0.00 0.00 178.83 174.58 3fe4 n ASP 154 N -3.51 2.94 -4.51 1.46 2.03 -1.03 -4.99 116.55 108.94 3fe4 n ASP 154 Ca -0.02 -3.25 -0.30 0.00 0.52 0.00 0.00 54.79 51.74 3fe4 n ASP 154 Cb 0.14 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 39.91 3fe4 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fe4 s ALA 155 N -2.95 2.74 0.45 -1.67 0.00 -0.61 -5.07 121.76 114.64 3fe4 s ALA 155 Ca 0.39 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 3fe4 s ALA 155 Cb 0.33 -0.75 -0.08 0.00 0.00 0.00 0.00 23.12 22.63 3fe4 s ALA 155 CO 0.04 0.60 1.24 -1.25 0.00 0.00 0.00 175.76 176.39 3fe4 s PRO 156 N -1.96 3.78 -0.94 0.00 0.04 -1.26 -2.21 135.00 132.44 3fe4 s PRO 156 Ca 0.18 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 3fe4 s PRO 156 Cb -0.11 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.90 3fe4 s PRO 156 CO 0.10 -0.59 0.04 -0.25 0.04 0.00 0.00 177.00 176.33 3fe4 n ASP 157 N -0.28 -3.54 0.06 6.66 8.00 -1.26 -4.85 116.55 121.34 3fe4 n ASP 157 Ca 0.06 0.19 -0.06 0.00 0.71 0.00 0.00 54.79 55.69 3fe4 n ASP 157 Cb 0.46 -3.02 0.12 0.00 -0.02 0.00 0.00 41.12 38.66 3fe4 n ASP 157 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3fe4 h GLY 158 N -0.07 0.38 -3.91 0.44 0.00 -1.50 -3.40 103.07 95.00 3fe4 h GLY 158 Ca -0.27 -0.43 -0.47 0.00 0.00 0.00 0.00 47.33 46.17 3fe4 h GLY 158 CO 0.32 0.39 -0.78 1.08 0.00 0.00 0.00 176.54 177.54 3fe4 s LEU 159 N -8.15 2.35 -0.04 3.11 1.43 -0.68 -0.16 118.68 116.55 3fe4 s LEU 159 Ca -0.05 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3fe4 s LEU 159 Cb 0.12 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.68 3fe4 s LEU 159 CO 0.81 -0.06 0.10 0.00 0.23 0.00 0.00 176.35 177.43 3fe4 s ALA 160 N -1.67 -0.22 -0.13 4.21 0.00 -0.41 -0.65 121.76 122.88 3fe4 s ALA 160 Ca 0.07 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3fe4 s ALA 160 Cb -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3fe4 s ALA 160 CO 0.04 -0.06 -0.17 0.08 0.00 0.00 0.00 175.76 175.64 3fe4 s VAL 161 N 0.25 1.71 -0.22 0.00 1.01 -0.78 0.21 120.40 122.59 3fe4 s VAL 161 Ca -0.02 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 3fe4 s VAL 161 Cb -0.03 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3fe4 s VAL 161 CO -0.01 0.48 0.66 -0.22 0.00 0.00 0.00 175.10 176.01 3fe4 s LEU 162 N 1.01 4.10 -0.00 3.92 0.20 -0.35 -0.82 118.68 126.75 3fe4 s LEU 162 Ca -0.05 0.81 0.08 0.00 0.69 0.00 0.00 54.13 55.67 3fe4 s LEU 162 Cb -0.15 -2.92 -0.02 0.00 -0.43 0.00 0.00 46.19 42.68 3fe4 s LEU 162 CO -0.03 -0.34 -0.25 0.00 -0.29 0.00 0.00 176.35 175.43 3fe4 s ALA 163 N 2.25 2.10 -0.02 5.97 0.00 0.12 -0.79 121.76 131.39 3fe4 s ALA 163 Ca 0.29 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3fe4 s ALA 163 Cb -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.46 3fe4 s ALA 163 CO 0.09 0.51 0.07 0.00 0.00 0.00 0.00 175.76 176.44 3fe4 s ALA 164 N -0.65 -0.18 0.26 0.00 0.00 -0.46 -1.27 121.76 119.47 3fe4 s ALA 164 Ca 0.10 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 3fe4 s ALA 164 Cb -0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 3fe4 s ALA 164 CO -0.00 -0.06 0.63 -0.06 0.00 0.00 0.00 175.76 176.27 3fe4 s PHE 165 N -0.17 3.42 0.01 0.00 0.08 -1.26 -0.30 117.98 119.75 3fe4 s PHE 165 Ca -0.02 1.03 -0.09 0.00 0.12 0.00 0.00 56.93 57.97 3fe4 s PHE 165 Cb -0.02 -2.38 -0.05 0.00 -0.57 0.00 0.00 43.02 40.00 3fe4 s PHE 165 CO 0.00 0.21 0.32 0.08 -0.10 0.00 0.00 175.22 175.73 3fe4 s VAL 166 N -1.86 5.21 0.04 -0.44 1.01 -0.43 -0.75 120.40 123.19 3fe4 s VAL 166 Ca 0.50 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.95 3fe4 s VAL 166 Cb -0.11 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3fe4 s VAL 166 CO 0.20 0.42 -0.24 -1.83 0.00 0.00 0.00 175.10 173.65 3fe4 s GLU 167 N -1.56 1.64 0.10 2.72 1.03 -0.19 -3.84 118.70 118.59 3fe4 s GLU 167 Ca 0.27 -1.03 0.09 0.00 0.03 0.00 0.00 54.97 54.33 3fe4 s GLU 167 Cb -0.14 -1.78 -0.03 0.00 -0.80 0.00 0.00 34.13 31.38 3fe4 s GLU 167 CO 0.14 0.46 -0.23 0.14 -1.33 0.00 0.00 175.26 174.45 3fe4 s VAL 168 N -0.79 1.88 0.00 1.83 -7.23 -1.26 -2.80 120.40 112.03 3fe4 s VAL 168 Ca 0.10 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3fe4 s VAL 168 Cb -0.09 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3fe4 s VAL 168 CO 0.02 0.05 0.00 0.29 -0.31 0.00 0.00 175.10 175.15 3fe4 n LYS 169 N 1.22 0.00 -2.40 4.82 5.02 -1.26 -4.99 118.16 120.56 3fe4 n LYS 169 Ca -0.19 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.05 3fe4 n LYS 169 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.59 3fe4 n LYS 169 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fe4 n ASN 170 N 0.00 2.40 -4.80 4.39 3.02 -1.26 -4.86 115.26 114.16 3fe4 n ASN 170 Ca 0.00 -2.55 -0.35 0.00 -0.03 0.00 0.00 54.58 51.65 3fe4 n ASN 170 Cb 0.00 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.70 3fe4 n ASN 170 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fe4 s TYR 171 N -3.36 3.21 0.99 3.10 2.02 -1.26 -5.06 117.35 116.99 3fe4 s TYR 171 Ca 0.34 1.62 -0.16 0.00 -0.37 0.00 0.00 57.07 58.51 3fe4 s TYR 171 Cb 0.35 -3.03 0.20 0.00 -0.40 0.00 0.00 41.96 39.08 3fe4 s TYR 171 CO -0.03 -0.53 1.23 -1.25 -1.57 0.00 0.00 175.55 173.40 3fe4 s PRO 172 N -2.87 0.42 0.20 -1.71 0.04 -1.26 -4.17 135.00 125.65 3fe4 s PRO 172 Ca 0.62 -0.16 -0.33 0.00 0.04 0.00 0.00 61.00 61.17 3fe4 s PRO 172 Cb -0.17 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.44 3fe4 s PRO 172 CO 0.21 -2.60 1.46 -1.91 0.04 0.00 0.00 177.00 174.20 3fe4 n GLU 173 N -3.96 1.99 -2.85 4.56 2.13 -1.26 -3.67 120.64 117.59 3fe4 n GLU 173 Ca 0.12 0.71 -0.43 0.00 0.66 0.00 0.00 57.16 58.23 3fe4 n GLU 173 Cb 0.60 -2.40 -0.04 0.00 0.27 0.00 0.00 31.44 29.86 3fe4 n GLU 173 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3fe4 s ASN 174 N 0.52 6.51 0.52 4.31 3.84 -1.26 -4.92 114.94 124.46 3fe4 s ASN 174 Ca 0.73 0.14 0.30 0.00 0.21 0.00 0.00 52.86 54.24 3fe4 s ASN 174 Cb -0.69 -2.44 1.39 0.00 -0.55 0.00 0.00 41.25 38.97 3fe4 s ASN 174 CO 0.45 -0.99 2.02 0.71 -2.79 0.00 0.00 177.10 176.49 3fe4 h THR 175 N 6.02 0.37 0.00 -5.21 1.35 -1.94 -1.78 112.91 111.72 3fe4 h THR 175 Ca -0.24 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3fe4 h THR 175 Cb 1.08 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3fe4 h THR 175 CO 1.01 0.11 0.00 -1.22 -0.25 0.00 0.00 175.52 175.16 3fe4 n TYR 176 N -3.38 0.53 1.04 4.73 4.01 -1.26 -2.47 117.16 120.36 3fe4 n TYR 176 Ca -0.01 0.18 0.11 0.00 -0.16 0.00 0.00 57.90 58.03 3fe4 n TYR 176 Cb 0.29 -0.80 0.06 0.00 -0.31 0.00 0.00 39.34 38.58 3fe4 n TYR 176 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fe4 n TYR 177 N -1.96 0.00 -0.03 -0.72 4.02 -0.67 -4.73 117.16 113.07 3fe4 n TYR 177 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 3fe4 n TYR 177 Cb 0.29 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 3fe4 n TYR 177 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3fe4 h SER 178 N 1.40 0.06 -0.38 7.72 0.02 -1.49 0.01 113.55 120.88 3fe4 h SER 178 Ca 0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3fe4 h SER 178 Cb 0.63 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3fe4 h SER 178 CO 0.00 0.06 0.12 0.78 -1.14 0.00 0.00 176.83 176.65 3fe4 h ASN 179 N 0.14 0.56 -0.17 3.07 2.35 -1.85 -1.76 115.58 117.92 3fe4 h ASN 179 Ca 0.07 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3fe4 h ASN 179 Cb 0.05 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3fe4 h ASN 179 CO -0.08 0.62 -0.03 0.15 -1.65 0.00 0.00 177.43 176.44 3fe4 h PHE 180 N 0.47 -0.06 -0.80 1.19 3.57 -1.83 -1.53 116.94 117.95 3fe4 h PHE 180 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3fe4 h PHE 180 Cb 0.26 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3fe4 h PHE 180 CO 0.01 -0.06 0.35 0.82 -2.23 0.00 0.00 178.31 177.20 3fe4 h ILE 181 N 0.02 1.26 -0.11 1.41 1.08 -0.96 -2.07 117.51 118.13 3fe4 h ILE 181 Ca 0.08 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 63.75 3fe4 h ILE 181 Cb 0.11 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 3fe4 h ILE 181 CO -0.16 0.32 -0.04 0.77 -0.69 0.00 0.00 178.15 178.35 3fe4 h SER 182 N 1.15 0.15 0.92 1.72 4.64 -0.95 -2.11 113.55 119.07 3fe4 h SER 182 Ca 0.27 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3fe4 h SER 182 Cb 0.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3fe4 h SER 182 CO -0.03 0.22 -0.01 1.41 -0.87 0.00 0.00 176.83 177.55 3fe4 n HIS 183 N -4.39 0.00 -0.13 4.77 8.25 -0.61 -3.75 115.22 119.35 3fe4 n HIS 183 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 3fe4 n HIS 183 Cb 0.18 -0.46 0.47 0.00 1.12 0.00 0.00 29.99 31.30 3fe4 n HIS 183 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fe4 h LEU 184 N 0.00 0.44 -2.23 2.41 3.38 -1.22 -0.83 115.31 117.26 3fe4 h LEU 184 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3fe4 h LEU 184 Cb 0.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3fe4 h LEU 184 CO 0.00 0.25 -0.06 0.00 0.09 0.00 0.00 178.44 178.73 3fe4 h ALA 185 N 1.66 1.38 -0.00 1.53 0.00 -1.76 -1.50 119.26 120.56 3fe4 h ALA 185 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3fe4 h ALA 185 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fe4 h ALA 185 CO -0.10 0.07 -0.14 0.09 0.00 0.00 0.00 179.25 179.17 3fe4 n ASN 186 N -3.70 0.20 -2.42 0.00 5.03 -0.32 -4.13 115.26 109.91 3fe4 n ASN 186 Ca -0.02 0.09 -0.15 0.00 0.87 0.00 0.00 54.58 55.37 3fe4 n ASN 186 Cb 0.16 -0.23 0.03 0.00 -1.02 0.00 0.00 39.78 38.71 3fe4 n ASN 186 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 3fe4 n ILE 187 N -1.40 1.93 -0.20 2.41 -5.35 -0.57 -4.62 119.36 111.57 3fe4 n ILE 187 Ca 0.08 -3.81 -0.05 0.00 -0.27 0.00 0.00 62.75 58.71 3fe4 n ILE 187 Cb 0.32 -0.20 0.12 0.00 -1.74 0.00 0.00 39.64 38.14 3fe4 n ILE 187 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3fe4 h LYS 188 N 2.48 0.99 -6.06 6.28 3.64 -1.71 -3.42 116.57 118.78 3fe4 h LYS 188 Ca 0.15 -0.21 -0.60 0.00 -1.27 0.00 0.00 60.65 58.71 3fe4 h LYS 188 Cb 1.31 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 3fe4 h LYS 188 CO 0.57 0.87 -0.31 0.71 -2.27 0.00 0.00 179.45 179.02 3fe4 s TYR 189 N -5.29 3.55 0.31 1.91 2.02 -1.26 0.03 117.35 118.62 3fe4 s TYR 189 Ca -0.11 0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 56.94 3fe4 s TYR 189 Cb 0.15 -2.06 -0.11 0.00 -0.40 0.00 0.00 41.96 39.54 3fe4 s TYR 189 CO 0.82 0.53 1.57 -2.14 -1.57 0.00 0.00 175.55 174.76 3fe4 s PRO 190 N -2.08 4.12 0.00 -1.71 0.02 -1.25 -1.68 135.00 132.42 3fe4 s PRO 190 Ca 0.33 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3fe4 s PRO 190 Cb -0.13 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3fe4 s PRO 190 CO 0.19 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 3fe4 n GLY 191 N 1.78 2.17 3.77 0.52 0.00 0.17 -4.97 105.19 108.63 3fe4 n GLY 191 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3fe4 n GLY 191 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fe4 s GLN 192 N -0.54 3.02 0.03 1.61 -0.21 -0.67 -4.85 119.66 118.05 3fe4 s GLN 192 Ca 0.00 1.59 -0.00 0.00 0.02 0.00 0.00 55.36 56.97 3fe4 s GLN 192 Cb 0.00 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 3fe4 s GLN 192 CO 0.00 -1.11 -0.03 1.03 -2.12 0.00 0.00 175.29 173.06 3fe4 s ARG 193 N -3.60 0.43 0.12 2.91 0.52 -1.26 -2.20 118.95 115.88 3fe4 s ARG 193 Ca 0.72 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.97 3fe4 s ARG 193 Cb -0.24 0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.36 3fe4 s ARG 193 CO 0.34 -0.07 0.30 -0.08 0.02 0.00 0.00 175.30 175.81 3fe4 s THR 194 N -2.36 0.10 0.12 0.02 -1.32 -0.14 -4.91 115.64 107.15 3fe4 s THR 194 Ca -0.07 -1.01 0.10 0.00 -1.21 0.00 0.00 61.69 59.50 3fe4 s THR 194 Cb -0.03 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 3fe4 s THR 194 CO -0.04 -0.44 -0.24 0.42 -2.21 0.00 0.00 174.62 172.11 3fe4 s THR 195 N -3.86 1.99 -0.09 5.08 -4.23 -1.26 -0.62 115.64 112.64 3fe4 s THR 195 Ca 0.07 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3fe4 s THR 195 Cb 0.03 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 3fe4 s THR 195 CO -0.09 -0.01 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.19 3fe4 s LEU 196 N -2.04 3.36 -0.16 4.79 1.43 -0.74 -4.96 118.68 120.37 3fe4 s LEU 196 Ca 0.11 0.03 0.17 0.00 -1.03 0.00 0.00 54.13 53.40 3fe4 s LEU 196 Cb -0.10 -1.76 0.76 0.00 0.03 0.00 0.00 46.19 45.12 3fe4 s LEU 196 CO 0.05 0.33 1.67 0.35 0.23 0.00 0.00 176.35 178.99 3fe4 n THR 197 N 2.43 2.16 -3.63 5.49 -2.24 -1.26 -0.86 114.28 116.37 3fe4 n THR 197 Ca -0.18 -1.25 -0.05 0.00 -2.27 0.00 0.00 64.05 60.30 3fe4 n THR 197 Cb 0.53 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 3fe4 n THR 197 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3fe4 s GLY 198 N -0.84 0.05 0.02 3.38 0.00 -1.14 -1.70 107.32 107.08 3fe4 s GLY 198 Ca 0.52 2.84 -0.28 0.00 0.00 0.00 0.00 44.72 47.80 3fe4 s GLY 198 CO 0.21 1.47 0.69 -2.27 0.00 0.00 0.00 173.10 173.20 3fe4 s LEU 199 N -0.51 -0.59 -0.58 0.66 2.96 -0.89 -4.96 118.68 114.77 3fe4 s LEU 199 Ca 0.05 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 3fe4 s LEU 199 Cb -0.03 2.48 0.16 0.00 0.50 0.00 0.00 46.19 49.30 3fe4 s LEU 199 CO -0.08 -0.72 0.39 -0.62 -1.32 0.00 0.00 176.35 174.00 3fe4 s ASP 200 N -1.83 3.92 0.18 3.68 -1.08 -1.26 -2.23 116.67 118.05 3fe4 s ASP 200 Ca -0.05 -3.37 -0.10 0.00 -0.52 0.00 0.00 52.55 48.50 3fe4 s ASP 200 Cb -0.00 -1.31 0.08 0.00 -1.46 0.00 0.00 42.92 40.22 3fe4 s ASP 200 CO -0.00 -0.15 1.68 0.58 0.52 0.00 0.00 175.17 177.80 3fe4 h VAL 201 N 4.74 1.25 -0.62 1.11 2.07 -1.70 -2.20 116.25 120.91 3fe4 h VAL 201 Ca 0.11 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.78 3fe4 h VAL 201 Cb 0.83 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 3fe4 h VAL 201 CO 0.61 0.35 0.25 -0.61 0.02 0.00 0.00 177.57 178.19 3fe4 h GLN 202 N 0.91 0.44 -0.01 1.57 4.15 -1.56 -1.34 115.11 119.28 3fe4 h GLN 202 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3fe4 h GLN 202 Cb 0.37 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3fe4 h GLN 202 CO 0.00 0.29 -0.14 -0.25 -1.93 0.00 0.00 178.83 176.81 3fe4 n ASP 203 N -4.96 0.77 0.04 -0.69 8.00 -0.98 -2.19 116.55 116.54 3fe4 n ASP 203 Ca 0.09 -0.83 0.13 0.00 0.71 0.00 0.00 54.79 54.89 3fe4 n ASP 203 Cb 0.26 0.01 0.53 0.00 -0.02 0.00 0.00 41.12 41.91 3fe4 n ASP 203 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3fe4 n MET 204 N -0.70 0.08 -2.72 -1.24 2.81 -0.53 -4.80 117.12 110.02 3fe4 n MET 204 Ca 0.15 0.09 -0.21 0.00 -1.81 0.00 0.00 57.70 55.92 3fe4 n MET 204 Cb 0.30 -1.60 0.06 0.00 -0.71 0.00 0.00 33.22 31.27 3fe4 n MET 204 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fe4 s LEU 205 N -3.50 3.18 0.76 4.03 1.43 -0.93 -4.95 118.68 118.70 3fe4 s LEU 205 Ca 0.12 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 3fe4 s LEU 205 Cb 0.16 -2.33 0.06 0.00 0.03 0.00 0.00 46.19 44.11 3fe4 s LEU 205 CO 0.53 -1.39 1.23 -2.84 0.23 0.00 0.00 176.35 174.11 3fe4 s PRO 206 N -4.84 1.89 0.26 1.29 0.02 -1.26 -4.88 135.00 127.49 3fe4 s PRO 206 Ca 0.61 1.85 -0.03 0.00 0.02 0.00 0.00 61.00 63.46 3fe4 s PRO 206 Cb -0.08 -1.79 0.42 0.00 0.02 0.00 0.00 34.50 33.07 3fe4 s PRO 206 CO 0.40 -2.04 1.85 0.00 -0.33 0.00 0.00 177.00 176.88 3fe4 h ARG 207 N -0.48 1.00 -5.14 5.54 -0.00 -1.92 -3.36 114.38 110.03 3fe4 h ARG 207 Ca -0.48 -0.06 -0.66 0.00 -0.50 0.00 0.00 59.98 58.28 3fe4 h ARG 207 Cb 1.31 -0.23 -0.16 0.00 0.00 0.00 0.00 29.97 30.89 3fe4 h ARG 207 CO 0.48 0.66 -0.09 1.21 0.00 0.00 0.00 179.97 182.24 3fe4 s ASN 208 N -5.78 6.27 0.00 7.04 2.47 -1.26 -4.90 114.94 118.78 3fe4 s ASN 208 Ca -0.12 -0.29 0.16 0.00 0.42 0.00 0.00 52.86 53.03 3fe4 s ASN 208 Cb 0.20 -2.26 0.40 0.00 -1.45 0.00 0.00 41.25 38.14 3fe4 s ASN 208 CO 0.80 -0.55 1.31 0.18 -3.72 0.00 0.00 177.10 175.13 3fe4 n LEU 209 N 5.76 3.19 0.11 3.21 4.77 -1.26 -4.54 117.00 128.25 3fe4 n LEU 209 Ca -0.05 -1.83 -0.24 0.00 -0.03 0.00 0.00 56.01 53.86 3fe4 n LEU 209 Cb 0.48 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 41.14 3fe4 n LEU 209 CO 0.46 0.77 -0.39 1.56 -1.33 0.00 0.00 177.39 178.46 3fe4 h GLN 210 N 3.02 0.46 -5.35 3.23 7.50 -1.95 -3.43 115.11 118.59 3fe4 h GLN 210 Ca 0.00 -0.78 -0.62 0.00 0.50 0.00 0.00 58.65 57.75 3fe4 h GLN 210 Cb 0.81 0.29 -0.12 0.00 0.05 0.00 0.00 27.48 28.51 3fe4 h GLN 210 CO 0.00 1.37 -0.51 -1.01 -1.50 0.00 0.00 178.83 177.18 3fe4 s HIS 211 N -2.59 3.39 0.16 2.96 3.76 -1.26 -4.81 115.29 116.90 3fe4 s HIS 211 Ca -0.13 0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.94 3fe4 s HIS 211 Cb 0.05 -2.09 0.01 0.00 1.11 0.00 0.00 32.58 31.66 3fe4 s HIS 211 CO 0.90 0.33 0.39 1.52 -0.85 0.00 0.00 174.74 177.02 3fe4 s TYR 212 N 0.11 0.07 0.09 1.40 -0.85 -1.26 -1.98 117.35 114.93 3fe4 s TYR 212 Ca 0.08 -0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.24 3fe4 s TYR 212 Cb -0.12 0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 3fe4 s TYR 212 CO -0.00 -0.78 0.08 0.71 -1.52 0.00 0.00 175.55 174.04 3fe4 s TYR 213 N -3.89 3.17 0.01 -3.49 1.51 0.44 -2.64 117.35 112.45 3fe4 s TYR 213 Ca 0.10 0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.20 3fe4 s TYR 213 Cb 0.02 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3fe4 s TYR 213 CO -0.04 0.52 0.02 -0.08 -1.11 0.00 0.00 175.55 174.86 3fe4 s THR 214 N -1.42 0.07 0.21 -0.71 -1.32 0.00 -0.46 115.64 112.01 3fe4 s THR 214 Ca 0.29 -0.58 -0.20 0.00 -1.21 0.00 0.00 61.69 60.00 3fe4 s THR 214 Cb -0.12 -0.23 0.04 0.00 -1.51 0.00 0.00 72.50 70.68 3fe4 s THR 214 CO 0.22 -0.32 0.60 -0.72 -2.21 0.00 0.00 174.62 172.19 3fe4 s TYR 215 N -0.97 -0.24 -0.22 9.09 1.13 -0.93 -1.75 117.35 123.46 3fe4 s TYR 215 Ca -0.11 -0.10 -0.12 0.00 -1.41 0.00 0.00 57.07 55.33 3fe4 s TYR 215 Cb -0.06 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.27 3fe4 s TYR 215 CO -0.00 -0.99 0.24 -1.01 -2.51 0.00 0.00 175.55 171.28 3fe4 s HIS 216 N -3.86 3.34 0.00 -3.49 3.76 -1.26 -0.95 115.29 112.83 3fe4 s HIS 216 Ca 0.08 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 3fe4 s HIS 216 Cb -0.02 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.32 3fe4 s HIS 216 CO -0.03 0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.33 3fe4 n GLY 217 N 4.13 4.82 3.31 -2.22 0.00 0.02 -4.80 105.19 110.46 3fe4 n GLY 217 Ca -0.13 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 3fe4 n GLY 217 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fe4 s SER 218 N 1.34 1.37 0.57 1.61 1.04 -1.14 -2.35 113.70 116.15 3fe4 s SER 218 Ca 0.00 -1.67 -0.19 0.00 0.48 0.00 0.00 55.95 54.57 3fe4 s SER 218 Cb 0.00 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 3fe4 s SER 218 CO 0.00 -1.08 1.20 -0.76 0.98 0.00 0.00 173.24 173.58 3fe4 s LEU 219 N -3.32 3.71 0.00 2.42 1.43 -0.68 -4.42 118.68 117.82 3fe4 s LEU 219 Ca 0.39 2.38 0.18 0.00 -1.03 0.00 0.00 54.13 56.04 3fe4 s LEU 219 Cb 0.02 -4.56 0.50 0.00 0.03 0.00 0.00 46.19 42.19 3fe4 s LEU 219 CO 0.25 -1.50 1.41 0.35 0.23 0.00 0.00 176.35 177.09 3fe4 n THR 220 N -1.45 0.54 -4.04 5.49 -2.24 -1.26 -4.50 114.28 106.82 3fe4 n THR 220 Ca 0.13 -0.61 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 3fe4 n THR 220 Cb 0.49 0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 69.06 3fe4 n THR 220 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3fe4 s THR 221 N -1.46 0.17 0.57 4.28 -1.32 -1.26 -4.66 115.64 111.96 3fe4 s THR 221 Ca 0.34 -1.66 -0.21 0.00 -1.21 0.00 0.00 61.69 58.95 3fe4 s THR 221 Cb 0.18 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.51 3fe4 s THR 221 CO 0.25 -0.76 1.34 -2.84 -2.21 0.00 0.00 174.62 170.40 3fe4 s PRO 222 N -3.94 3.02 0.00 7.08 0.02 -1.26 -0.18 135.00 139.74 3fe4 s PRO 222 Ca 0.11 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3fe4 s PRO 222 Cb 0.07 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3fe4 s PRO 222 CO -0.07 -1.27 0.85 -0.35 -0.33 0.00 0.00 177.00 175.82 3fe4 n PRO 223 N -1.22 0.92 -3.00 5.54 -0.04 -1.26 -4.99 135.00 130.95 3fe4 n PRO 223 Ca 0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 3fe4 n PRO 223 Cb 0.46 -1.08 0.02 0.00 -0.04 0.00 0.00 33.50 32.86 3fe4 n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fe4 n THR 225 N -4.20 0.24 -2.14 0.00 -1.04 -1.26 -4.37 114.28 101.50 3fe4 n THR 225 Ca -0.10 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.44 3fe4 n THR 225 Cb 0.60 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 67.37 3fe4 n THR 225 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3fe4 n GLU 226 N 3.30 4.50 -1.18 -2.82 1.02 -1.26 -1.69 120.64 122.51 3fe4 n GLU 226 Ca 0.15 -3.62 0.04 0.00 -0.02 0.00 0.00 57.16 53.71 3fe4 n GLU 226 Cb 0.32 -2.66 0.05 0.00 -0.02 0.00 0.00 31.44 29.13 3fe4 n GLU 226 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3fe4 n ASN 227 N 1.93 1.00 -4.30 1.62 6.94 -1.18 -4.84 115.26 116.43 3fe4 n ASN 227 Ca 0.56 -2.31 -0.36 0.00 -0.02 0.00 0.00 54.58 52.45 3fe4 n ASN 227 Cb 0.27 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 37.23 3fe4 n ASN 227 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fe4 s VAL 228 N -0.56 3.49 -0.38 3.53 1.01 -0.99 -1.69 120.40 124.81 3fe4 s VAL 228 Ca 0.30 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 3fe4 s VAL 228 Cb 0.33 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3fe4 s VAL 228 CO -0.13 0.22 0.73 -2.28 0.00 0.00 0.00 175.10 173.64 3fe4 s HIS 229 N 1.45 3.09 -0.04 5.22 2.46 0.18 -0.80 115.29 126.85 3fe4 s HIS 229 Ca 0.03 0.37 -0.16 0.00 0.47 0.00 0.00 55.06 55.77 3fe4 s HIS 229 Cb -0.16 -3.38 -0.05 0.00 -0.13 0.00 0.00 32.58 28.86 3fe4 s HIS 229 CO -0.01 -0.77 0.44 -1.58 -2.47 0.00 0.00 174.74 170.36 3fe4 s TRP 230 N 3.01 3.65 -0.14 3.88 0.52 -0.13 -1.86 118.94 127.88 3fe4 s TRP 230 Ca 0.28 0.97 0.01 0.00 0.02 0.00 0.00 56.10 57.39 3fe4 s TRP 230 Cb -0.13 -2.40 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 3fe4 s TRP 230 CO 0.18 0.46 -0.16 -0.06 0.02 0.00 0.00 176.95 177.39 3fe4 s PHE 231 N -0.44 2.25 -0.20 -1.98 0.40 -0.00 -2.18 117.98 115.82 3fe4 s PHE 231 Ca 0.25 -1.21 -0.01 0.00 -0.60 0.00 0.00 56.93 55.36 3fe4 s PHE 231 Cb -0.16 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.76 3fe4 s PHE 231 CO 0.12 -0.63 -0.12 0.08 0.70 0.00 0.00 175.22 175.37 3fe4 s VAL 232 N 1.25 2.67 0.37 -0.44 1.01 0.40 0.12 120.40 125.77 3fe4 s VAL 232 Ca 0.01 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 3fe4 s VAL 232 Cb -0.14 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 3fe4 s VAL 232 CO -0.08 0.45 1.13 -0.76 0.00 0.00 0.00 175.10 175.85 3fe4 s LEU 233 N 1.37 4.28 0.05 3.92 1.43 -0.40 -0.42 118.68 128.90 3fe4 s LEU 233 Ca 0.05 2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 55.27 3fe4 s LEU 233 Cb -0.14 -3.95 -0.27 0.00 0.03 0.00 0.00 46.19 41.87 3fe4 s LEU 233 CO -0.08 -0.50 1.12 0.00 0.23 0.00 0.00 176.35 177.11 3fe4 h ALA 234 N 2.92 0.04 -2.31 4.21 0.00 -1.73 -3.44 119.26 118.95 3fe4 h ALA 234 Ca -0.48 -0.71 -0.50 0.00 0.00 0.00 0.00 54.91 53.22 3fe4 h ALA 234 Cb 1.22 0.08 0.06 0.00 0.00 0.00 0.00 17.79 19.15 3fe4 h ALA 234 CO 0.64 0.61 0.39 0.34 0.00 0.00 0.00 179.25 181.23 3fe4 s ASP 235 N -7.25 6.11 0.16 0.00 2.15 -1.26 -5.04 116.67 111.54 3fe4 s ASP 235 Ca -0.10 1.55 0.07 0.00 0.43 0.00 0.00 52.55 54.50 3fe4 s ASP 235 Cb 0.05 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 3fe4 s ASP 235 CO 0.91 -0.95 -0.02 -0.36 -0.17 0.00 0.00 175.17 174.58 3fe4 s PHE 236 N -2.92 2.82 -0.02 -5.34 0.40 -1.26 -4.59 117.98 107.07 3fe4 s PHE 236 Ca 0.58 -0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 56.51 3fe4 s PHE 236 Cb -0.12 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 3fe4 s PHE 236 CO 0.46 0.51 0.78 0.08 0.70 0.00 0.00 175.22 177.74 3fe4 s VAL 237 N -1.66 4.91 -0.38 -0.44 1.01 0.07 -4.51 120.40 119.41 3fe4 s VAL 237 Ca 0.26 1.63 -0.19 0.00 0.00 0.00 0.00 61.98 63.68 3fe4 s VAL 237 Cb -0.10 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.17 3fe4 s VAL 237 CO 0.18 0.27 0.55 -0.54 0.00 0.00 0.00 175.10 175.56 3fe4 s LYS 238 N 0.56 3.50 0.20 2.72 1.02 -1.26 -1.02 119.74 125.45 3fe4 s LYS 238 Ca 0.41 -0.24 0.08 0.00 0.02 0.00 0.00 55.97 56.24 3fe4 s LYS 238 Cb -0.19 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.22 3fe4 s LYS 238 CO 0.22 -0.77 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.37 3fe4 s LEU 239 N 2.52 3.27 0.66 3.17 1.02 -1.12 -4.55 118.68 123.64 3fe4 s LEU 239 Ca 0.20 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 53.76 3fe4 s LEU 239 Cb -0.15 -1.89 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 3fe4 s LEU 239 CO 0.15 0.06 1.05 -0.94 0.02 0.00 0.00 176.35 176.70 3fe4 s SER 240 N -3.15 5.60 0.31 2.29 1.04 -1.24 -4.55 113.70 114.00 3fe4 s SER 240 Ca 0.28 1.65 -0.01 0.00 0.48 0.00 0.00 55.95 58.36 3fe4 s SER 240 Cb -0.08 -2.50 0.48 0.00 0.10 0.00 0.00 66.02 64.01 3fe4 s SER 240 CO 0.19 -1.29 1.96 0.03 0.98 0.00 0.00 173.24 175.11 3fe4 h ARG 241 N -0.32 1.01 -0.69 4.02 3.08 -1.89 -2.13 114.38 117.46 3fe4 h ARG 241 Ca -0.45 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 3fe4 h ARG 241 Cb 1.21 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 3fe4 h ARG 241 CO 0.57 0.69 0.35 1.15 -1.07 0.00 0.00 179.97 181.66 3fe4 h THR 242 N 1.03 1.22 -0.44 2.04 2.02 -1.94 -0.89 112.91 115.95 3fe4 h THR 242 Ca 0.27 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3fe4 h THR 242 Cb -0.08 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3fe4 h THR 242 CO -0.05 0.26 0.25 1.56 0.37 0.00 0.00 175.52 177.90 3fe4 h GLN 243 N 0.95 0.61 -0.44 6.66 4.20 -1.85 -0.60 115.11 124.63 3fe4 h GLN 243 Ca 0.24 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3fe4 h GLN 243 Cb 0.09 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3fe4 h GLN 243 CO -0.03 0.47 0.24 0.28 -0.67 0.00 0.00 178.83 179.11 3fe4 h VAL 244 N 0.58 1.16 -0.58 -0.54 2.07 -1.15 -1.59 116.25 116.20 3fe4 h VAL 244 Ca 0.16 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3fe4 h VAL 244 Cb 0.03 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3fe4 h VAL 244 CO -0.03 0.17 0.34 -0.25 0.02 0.00 0.00 177.57 177.82 3fe4 h TRP 245 N 0.57 0.63 -0.50 1.57 7.01 -0.82 -1.33 115.95 123.07 3fe4 h TRP 245 Ca 0.15 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 3fe4 h TRP 245 Cb 0.05 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 3fe4 h TRP 245 CO -0.02 0.34 0.15 0.87 -2.79 0.00 0.00 178.44 177.00 3fe4 h LYS 246 N 0.66 0.78 -0.83 2.65 1.57 -0.86 -0.80 116.57 119.74 3fe4 h LYS 246 Ca 0.24 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3fe4 h LYS 246 Cb 0.07 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3fe4 h LYS 246 CO -0.12 0.73 0.55 1.25 -0.57 0.00 0.00 179.45 181.29 3fe4 h LEU 247 N 0.68 0.96 -0.60 2.94 5.85 -0.78 -1.78 115.31 122.59 3fe4 h LEU 247 Ca 0.16 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3fe4 h LEU 247 Cb 0.28 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3fe4 h LEU 247 CO -0.00 0.70 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.38 3fe4 h GLU 248 N 1.13 0.00 -0.01 1.25 5.08 -0.97 -3.34 114.58 117.73 3fe4 h GLU 248 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3fe4 h GLU 248 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3fe4 h GLU 248 CO -0.06 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.13 3fe4 n ASN 249 N -3.16 2.15 -0.09 1.42 3.02 -0.33 -4.74 115.26 113.54 3fe4 n ASN 249 Ca 0.02 -2.40 -0.10 0.00 -0.03 0.00 0.00 54.58 52.07 3fe4 n ASN 249 Cb 0.47 -0.16 -0.16 0.00 -0.61 0.00 0.00 39.78 39.32 3fe4 n ASN 249 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3fe4 n SER 250 N -0.83 0.14 -4.69 6.41 7.64 -0.71 -4.98 113.62 116.60 3fe4 n SER 250 Ca 0.06 0.06 -0.34 0.00 1.01 0.00 0.00 58.87 59.66 3fe4 n SER 250 Cb 0.40 0.84 -0.09 0.00 -1.01 0.00 0.00 64.21 64.34 3fe4 n SER 250 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fe4 s LEU 251 N -5.58 3.59 0.17 -3.43 1.02 -1.26 -4.53 118.68 108.65 3fe4 s LEU 251 Ca -0.09 0.11 0.05 0.00 0.02 0.00 0.00 54.13 54.22 3fe4 s LEU 251 Cb 0.06 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 3fe4 s LEU 251 CO 0.83 0.35 0.18 -0.76 0.02 0.00 0.00 176.35 176.97 3fe4 s LEU 252 N -1.09 3.92 0.00 1.79 1.02 0.10 -1.41 118.68 123.02 3fe4 s LEU 252 Ca 0.15 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.26 3fe4 s LEU 252 Cb -0.11 -2.51 0.05 0.00 0.02 0.00 0.00 46.19 43.63 3fe4 s LEU 252 CO 0.05 0.05 0.41 -0.90 0.02 0.00 0.00 176.35 175.97 3fe4 n ASP 253 N -0.52 0.95 0.24 2.29 5.68 0.11 -3.89 116.55 121.41 3fe4 n ASP 253 Ca -0.08 -1.71 0.09 0.00 -0.50 0.00 0.00 54.79 52.60 3fe4 n ASP 253 Cb 0.55 -0.23 0.61 0.00 -1.14 0.00 0.00 41.12 40.91 3fe4 n ASP 253 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3fe4 h HIS 254 N -0.06 0.00 -0.19 2.11 3.86 -1.87 0.84 115.15 119.84 3fe4 h HIS 254 Ca -0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3fe4 h HIS 254 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3fe4 h HIS 254 CO 0.00 0.18 0.00 0.54 0.86 0.00 0.00 177.93 179.51 3fe4 n ARG 255 N -3.82 1.56 -1.45 2.45 3.00 -1.26 -4.91 116.66 112.23 3fe4 n ARG 255 Ca -0.02 -0.74 -0.15 0.00 -0.01 0.00 0.00 57.85 56.92 3fe4 n ARG 255 Cb 0.28 -1.24 -0.07 0.00 0.00 0.00 0.00 32.46 31.43 3fe4 n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3fe4 n ASN 256 N 0.10 -5.32 -4.93 0.55 5.15 0.29 -5.00 115.26 106.10 3fe4 n ASN 256 Ca 0.07 0.38 -0.28 0.00 -0.60 0.00 0.00 54.58 54.15 3fe4 n ASN 256 Cb 0.22 -4.18 -0.03 0.00 -0.53 0.00 0.00 39.78 35.25 3fe4 n ASN 256 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3fe4 s LYS 257 N -3.28 3.44 0.28 1.20 3.01 -1.26 -4.74 119.74 118.39 3fe4 s LYS 257 Ca 0.00 -0.54 -0.30 0.00 -1.01 0.00 0.00 55.97 54.12 3fe4 s LYS 257 Cb 0.00 -2.99 -0.13 0.00 -1.01 0.00 0.00 37.83 33.70 3fe4 s LYS 257 CO 0.00 0.55 1.33 2.41 0.51 0.00 0.00 175.35 180.15 3fe4 n THR 258 N -0.23 1.45 -2.26 2.17 -1.04 -1.26 0.10 114.28 113.20 3fe4 n THR 258 Ca -0.06 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 61.16 3fe4 n THR 258 Cb 0.53 -1.47 -0.02 0.00 -1.82 0.00 0.00 70.33 67.54 3fe4 n THR 258 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3fe4 s ILE 259 N -0.55 3.93 -0.48 12.58 1.01 -0.50 -4.73 121.20 132.47 3fe4 s ILE 259 Ca 0.62 1.07 0.06 0.00 0.00 0.00 0.00 60.65 62.40 3fe4 s ILE 259 Cb -0.62 -3.89 0.19 0.00 0.01 0.00 0.00 42.46 38.15 3fe4 s ILE 259 CO 0.55 -0.31 0.58 1.41 0.00 0.00 0.00 174.94 177.18 3fe4 n HIS 260 N 7.77 -2.68 -3.58 3.97 -0.00 -1.26 -4.91 115.22 114.53 3fe4 n HIS 260 Ca 0.16 -2.14 -0.33 0.00 -0.00 0.00 0.00 57.72 55.41 3fe4 n HIS 260 Cb 0.45 1.00 -0.05 0.00 -0.00 0.00 0.00 29.99 31.39 3fe4 n HIS 260 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 3fe4 s ASN 261 N 0.45 6.57 -0.22 0.41 0.02 -1.26 -5.05 114.94 115.86 3fe4 s ASN 261 Ca 0.31 0.73 -0.29 0.00 -1.02 0.00 0.00 52.86 52.59 3fe4 s ASN 261 Cb 0.03 -2.15 -0.03 0.00 0.02 0.00 0.00 41.25 39.12 3fe4 s ASN 261 CO -0.11 0.07 1.63 1.51 0.02 0.00 0.00 177.10 180.21 3fe4 s ASP 262 N -2.18 6.35 0.69 -1.22 3.84 -1.26 -4.94 116.67 117.95 3fe4 s ASP 262 Ca 0.40 1.61 -0.16 0.00 -0.00 0.00 0.00 52.55 54.40 3fe4 s ASP 262 Cb -0.13 -2.53 0.02 0.00 -1.38 0.00 0.00 42.92 38.90 3fe4 s ASP 262 CO 0.22 -1.28 1.24 -0.72 -0.00 0.00 0.00 175.17 174.63 3fe4 s TYR 263 N 5.28 2.07 0.28 2.11 -0.85 -1.26 -5.02 117.35 119.95 3fe4 s TYR 263 Ca 0.72 1.55 -0.29 0.00 -0.52 0.00 0.00 57.07 58.53 3fe4 s TYR 263 Cb -0.25 -3.56 -0.10 0.00 0.38 0.00 0.00 41.96 38.44 3fe4 s TYR 263 CO 0.29 -2.71 1.20 0.50 -1.52 0.00 0.00 175.55 173.31 3fe4 s ARG 264 N -3.67 4.50 0.81 -3.49 3.52 -1.26 -5.02 118.95 114.34 3fe4 s ARG 264 Ca 0.78 1.97 -0.14 0.00 -0.13 0.00 0.00 55.73 58.21 3fe4 s ARG 264 Cb -0.32 -3.16 0.07 0.00 -1.56 0.00 0.00 34.95 29.98 3fe4 s ARG 264 CO 0.42 -0.00 1.07 2.89 -0.81 0.00 0.00 175.30 178.87 3fe4 n ARG 265 N 1.39 0.15 -2.06 5.12 1.85 -1.26 -4.73 116.66 117.11 3fe4 n ARG 265 Ca 0.01 0.12 -0.36 0.00 -1.00 0.00 0.00 57.85 56.62 3fe4 n ARG 265 Cb 0.44 -2.33 0.02 0.00 -1.05 0.00 0.00 32.46 29.54 3fe4 n ARG 265 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3fe4 s THR 266 N -2.13 2.72 0.19 8.89 -4.23 -1.26 -4.40 115.64 115.42 3fe4 s THR 266 Ca 0.71 0.47 0.08 0.00 -1.18 0.00 0.00 61.69 61.77 3fe4 s THR 266 Cb -0.29 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 3fe4 s THR 266 CO 0.53 -0.08 -0.01 -1.10 -0.54 0.00 0.00 174.62 173.43 3fe4 s GLN 267 N -3.19 2.37 0.42 3.99 -1.52 1.00 -4.93 119.66 117.79 3fe4 s GLN 267 Ca 0.74 -1.17 -0.26 0.00 -1.95 0.00 0.00 55.36 52.73 3fe4 s GLN 267 Cb -0.30 -2.31 -0.08 0.00 -0.22 0.00 0.00 33.01 30.09 3fe4 s GLN 267 CO 0.34 0.44 1.32 -2.14 -0.25 0.00 0.00 175.29 175.00 3fe4 s PRO 268 N -3.06 3.89 0.30 2.91 0.02 -1.26 -4.53 135.00 133.28 3fe4 s PRO 268 Ca 0.28 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.53 3fe4 s PRO 268 Cb -0.09 -2.72 0.49 0.00 0.02 0.00 0.00 34.50 32.21 3fe4 s PRO 268 CO 0.19 -0.57 1.78 -0.07 -0.33 0.00 0.00 177.00 178.00 3fe4 h LEU 269 N 2.57 0.47 0.00 -5.54 4.07 -1.90 -3.43 115.31 111.54 3fe4 h LEU 269 Ca -0.50 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.33 3fe4 h LEU 269 Cb 1.25 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3fe4 h LEU 269 CO 0.62 0.66 0.00 0.59 -1.08 0.00 0.00 178.44 179.23 3fe4 n ASN 270 N -4.18 0.00 -0.59 -0.43 3.02 -1.26 -1.76 115.26 110.06 3fe4 n ASN 270 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3fe4 n ASN 270 Cb 0.35 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 39.93 3fe4 n ASN 270 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3fe4 n HIS 271 N 13.00 0.13 -2.84 3.10 8.25 -1.26 -4.92 115.22 130.67 3fe4 n HIS 271 Ca 0.00 -0.06 -0.33 0.00 -0.26 0.00 0.00 57.72 57.07 3fe4 n HIS 271 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 3fe4 n HIS 271 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3fe4 s ARG 272 N -1.87 4.19 -0.11 -0.41 0.52 -0.72 -5.07 118.95 115.48 3fe4 s ARG 272 Ca 0.35 1.05 0.02 0.00 -0.52 0.00 0.00 55.73 56.63 3fe4 s ARG 272 Cb 0.19 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.47 3fe4 s ARG 272 CO 0.30 -0.02 -0.17 0.08 0.02 0.00 0.00 175.30 175.51 3fe4 s VAL 273 N -2.18 1.59 0.13 3.52 1.01 -1.26 -4.91 120.40 118.31 3fe4 s VAL 273 Ca 0.61 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3fe4 s VAL 273 Cb -0.09 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3fe4 s VAL 273 CO 0.15 0.46 1.22 -0.69 0.00 0.00 0.00 175.10 176.23 3fe4 s VAL 274 N 0.85 3.70 0.26 2.92 1.01 -1.26 -4.89 120.40 122.99 3fe4 s VAL 274 Ca -0.09 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.30 3fe4 s VAL 274 Cb -0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3fe4 s VAL 274 CO 0.00 0.16 0.06 -1.61 0.00 0.00 0.00 175.10 173.71 3fe4 s GLU 275 N 0.38 2.49 0.09 2.72 2.02 -0.72 -0.78 118.70 124.91 3fe4 s GLU 275 Ca 0.56 -1.31 0.04 0.00 0.02 0.00 0.00 54.97 54.28 3fe4 s GLU 275 Cb -0.32 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 3fe4 s GLU 275 CO 0.33 0.37 -0.10 -1.54 0.02 0.00 0.00 175.26 174.34 3fe4 s SER 276 N -3.73 1.40 -0.29 -0.19 1.04 -0.12 -0.82 113.70 111.00 3fe4 s SER 276 Ca 0.32 -0.79 0.12 0.00 0.48 0.00 0.00 55.95 56.07 3fe4 s SER 276 Cb -0.07 0.01 0.72 0.00 0.10 0.00 0.00 66.02 66.78 3fe4 s SER 276 CO 0.21 -0.26 1.72 -0.46 0.98 0.00 0.00 173.24 175.44 3fe4 n ASN 277 N 0.63 4.72 -3.80 7.02 6.94 -1.08 -0.62 115.26 129.06 3fe4 n ASN 277 Ca -0.17 -3.19 -0.13 0.00 -0.02 0.00 0.00 54.58 51.08 3fe4 n ASN 277 Cb 0.57 -0.70 -0.09 0.00 -2.36 0.00 0.00 39.78 37.20 3fe4 n ASN 277 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3fe4 s PHE 278 N -2.96 -0.13 -1.23 -2.53 -0.71 -1.26 -4.93 117.98 104.23 3fe4 s PHE 278 Ca 0.53 0.22 0.00 0.00 -1.04 0.00 0.00 56.93 56.63 3fe4 s PHE 278 Cb 0.42 0.05 0.00 0.00 -1.21 0.00 0.00 43.02 42.28 3fe4 s PHE 278 CO 0.12 -0.32 0.31 -2.30 -1.34 0.00 0.00 175.22 171.69