#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih5 s ASN 1 N 0.00 4.53 0.11 0.00 4.22 -1.26 -4.90 114.94 117.64 3ih5 s ASN 1 Ca 0.00 -1.71 0.01 0.00 -2.14 0.00 0.00 52.86 49.02 3ih5 s ASN 1 Cb 0.00 -1.54 0.01 0.00 1.28 0.00 0.00 41.25 41.01 3ih5 s ASN 1 CO 0.00 -0.28 0.12 0.59 -2.04 0.00 0.00 177.10 175.48 3ih5 n ASN 2 N 4.38 0.89 -4.36 3.54 3.02 -1.26 -4.41 115.26 117.07 3ih5 n ASN 2 Ca -0.06 -1.33 -0.36 0.00 -0.03 0.00 0.00 54.58 52.80 3ih5 n ASN 2 Cb 0.42 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 3ih5 n ASN 2 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ih5 s LEU 3 N 0.00 3.16 0.08 3.41 0.20 -0.97 -0.30 118.68 124.26 3ih5 s LEU 3 Ca 0.09 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.58 3ih5 s LEU 3 Cb -0.01 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 3ih5 s LEU 3 CO 0.06 -0.04 0.16 -0.36 -0.29 0.00 0.00 176.35 175.88 3ih5 s PHE 4 N 1.53 3.37 -0.06 5.38 0.40 0.09 -0.76 117.98 127.93 3ih5 s PHE 4 Ca 0.06 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.56 3ih5 s PHE 4 Cb -0.15 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.72 3ih5 s PHE 4 CO -0.00 0.55 -0.08 0.08 0.70 0.00 0.00 175.22 176.47 3ih5 s VAL 5 N -1.49 0.83 -0.19 -0.44 1.01 -0.34 -1.13 120.40 118.65 3ih5 s VAL 5 Ca 0.32 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 3ih5 s VAL 5 Cb -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3ih5 s VAL 5 CO 0.25 0.30 1.01 -0.47 0.00 0.00 0.00 175.10 176.19 3ih5 s TYR 6 N 1.00 3.40 -0.41 5.22 5.04 -0.58 -1.63 117.35 129.40 3ih5 s TYR 6 Ca -0.09 1.49 -0.16 0.00 -2.44 0.00 0.00 57.07 55.86 3ih5 s TYR 6 Cb -0.15 -3.22 0.02 0.00 0.35 0.00 0.00 41.96 38.96 3ih5 s TYR 6 CO 0.00 -0.38 0.40 0.00 -1.34 0.00 0.00 175.55 174.23 3ih5 s GLU 8 N 2.02 4.55 -0.07 0.00 2.12 -1.26 -4.58 118.70 121.48 3ih5 s GLU 8 Ca 0.10 1.53 0.02 0.00 0.36 0.00 0.00 54.97 56.99 3ih5 s GLU 8 Cb -0.17 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.29 3ih5 s GLU 8 CO 0.13 0.21 -0.14 0.42 -0.54 0.00 0.00 175.26 175.34 3ih5 s ILE 9 N -1.42 1.26 -0.05 -3.70 -1.09 -1.26 -0.95 121.20 114.00 3ih5 s ILE 9 Ca 0.49 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 3ih5 s ILE 9 Cb -0.24 -1.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.52 3ih5 s ILE 9 CO 0.31 0.38 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.68 3ih5 s GLU 10 N 0.68 0.62 -1.41 2.79 2.12 -0.46 -4.85 118.70 118.18 3ih5 s GLU 10 Ca -0.14 -0.00 -0.11 0.00 0.36 0.00 0.00 54.97 55.08 3ih5 s GLU 10 Cb -0.16 -0.76 0.07 0.00 0.26 0.00 0.00 34.13 33.55 3ih5 s GLU 10 CO 0.04 -0.15 0.63 0.39 -0.54 0.00 0.00 175.26 175.63 3ih5 n GLU 11 N 4.32 -4.01 -0.23 4.30 1.02 -1.26 -0.61 120.64 124.17 3ih5 n GLU 11 Ca -0.21 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3ih5 n GLU 11 Cb 0.50 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 3ih5 n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ih5 n GLY 12 N -1.34 1.51 3.44 0.62 0.00 -1.26 -5.03 105.19 103.12 3ih5 n GLY 12 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3ih5 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ih5 s ILE 13 N -2.86 3.67 0.08 -0.61 1.09 0.22 -5.05 121.20 117.74 3ih5 s ILE 13 Ca 0.00 -0.43 -0.31 0.00 -1.10 0.00 0.00 60.65 58.82 3ih5 s ILE 13 Cb 0.00 -2.61 -0.09 0.00 -1.06 0.00 0.00 42.46 38.69 3ih5 s ILE 13 CO 0.00 0.48 1.84 -0.69 -0.10 0.00 0.00 174.94 176.47 3ih5 s VAL 14 N 0.62 2.80 0.72 2.92 1.01 -1.26 -1.36 120.40 125.85 3ih5 s VAL 14 Ca -0.03 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 3ih5 s VAL 14 Cb -0.15 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.18 3ih5 s VAL 14 CO 0.03 -0.00 1.21 0.00 0.00 0.00 0.00 175.10 176.33 3ih5 s ALA 15 N 3.29 2.15 0.25 5.51 0.00 -0.12 -4.87 121.76 127.97 3ih5 s ALA 15 Ca 0.82 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.63 3ih5 s ALA 15 Cb -0.44 -3.48 0.26 0.00 0.00 0.00 0.00 23.12 19.47 3ih5 s ALA 15 CO 0.37 -1.83 1.87 -0.44 0.00 0.00 0.00 175.76 175.73 3ih5 h ASP 16 N -0.19 1.07 -0.90 0.00 5.19 -1.92 -2.43 116.42 117.25 3ih5 h ASP 16 Ca -0.48 -0.10 0.04 0.00 -0.62 0.00 0.00 57.03 55.88 3ih5 h ASP 16 Cb 1.30 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 40.48 3ih5 h ASP 16 CO 0.50 0.87 0.58 0.58 -3.12 0.00 0.00 179.24 178.65 3ih5 h VAL 17 N 1.20 1.12 -0.42 -1.35 2.07 -1.95 0.99 116.25 117.90 3ih5 h VAL 17 Ca 0.30 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3ih5 h VAL 17 Cb 0.04 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3ih5 h VAL 17 CO -0.05 0.20 0.28 0.28 0.02 0.00 0.00 177.57 178.30 3ih5 h SER 18 N 1.10 0.49 0.17 0.57 0.02 -1.76 -0.46 113.55 113.67 3ih5 h SER 18 Ca 0.37 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 3ih5 h SER 18 Cb 0.06 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3ih5 h SER 18 CO -0.14 0.36 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.51 3ih5 h LEU 19 N 0.57 0.25 -0.88 5.07 3.38 -1.03 0.24 115.31 122.91 3ih5 h LEU 19 Ca 0.16 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3ih5 h LEU 19 Cb -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ih5 h LEU 19 CO -0.03 0.57 -0.27 -0.33 0.09 0.00 0.00 178.44 178.47 3ih5 h GLU 20 N 0.22 0.51 0.00 1.13 5.08 -0.46 -2.32 114.58 118.74 3ih5 h GLU 20 Ca 0.03 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 3ih5 h GLU 20 Cb 0.69 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3ih5 h GLU 20 CO 0.05 0.74 -0.83 -0.07 -1.00 0.00 0.00 179.01 177.90 3ih5 h LEU 21 N 0.45 0.00 -0.98 1.33 3.38 -0.32 -1.91 115.31 117.27 3ih5 h LEU 21 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ih5 h LEU 21 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3ih5 h LEU 21 CO 0.05 0.83 0.44 -0.07 0.09 0.00 0.00 178.44 179.79 3ih5 h LEU 22 N 0.00 1.04 -0.08 1.67 3.38 -0.83 0.70 115.31 121.18 3ih5 h LEU 22 Ca -0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3ih5 h LEU 22 Cb 1.55 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ih5 h LEU 22 CO 0.11 0.85 -0.01 0.74 0.09 0.00 0.00 178.44 180.21 3ih5 h THR 23 N 1.16 1.28 -0.69 0.22 2.02 -1.31 -0.02 112.91 115.57 3ih5 h THR 23 Ca 0.29 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 3ih5 h THR 23 Cb 0.05 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3ih5 h THR 23 CO -0.04 0.25 0.13 0.50 0.37 0.00 0.00 175.52 176.73 3ih5 h LYS 24 N -0.16 1.12 -0.49 6.66 1.63 -1.22 -2.01 116.57 122.10 3ih5 h LYS 24 Ca 0.02 -0.29 0.04 0.00 -0.85 0.00 0.00 60.65 59.57 3ih5 h LYS 24 Cb 0.40 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 3ih5 h LYS 24 CO 0.01 1.01 0.26 0.78 -3.45 0.00 0.00 179.45 178.06 3ih5 h GLY 25 N 1.07 0.68 0.81 5.01 0.00 0.50 -0.79 103.07 110.35 3ih5 h GLY 25 Ca 0.21 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.40 3ih5 h GLY 25 CO 0.01 0.13 0.43 -0.09 0.00 0.00 0.00 176.54 177.02 3ih5 h ARG 26 N 0.51 0.80 -0.05 4.80 1.12 -0.59 0.59 114.38 121.56 3ih5 h ARG 26 Ca 0.21 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3ih5 h ARG 26 Cb 0.09 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 29.87 3ih5 h ARG 26 CO -0.13 0.53 0.03 0.77 -3.11 0.00 0.00 179.97 178.05 3ih5 h SER 27 N 0.82 0.06 0.12 -3.80 0.02 -0.79 -1.10 113.55 108.87 3ih5 h SER 27 Ca 0.29 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3ih5 h SER 27 Cb 0.07 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3ih5 h SER 27 CO -0.13 0.06 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.49 3ih5 h LEU 28 N 0.04 -0.13 -1.16 5.07 3.38 -0.59 -2.19 115.31 119.73 3ih5 h LEU 28 Ca 0.02 -0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.01 3ih5 h LEU 28 Cb 0.02 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 3ih5 h LEU 28 CO -0.00 0.11 0.62 0.00 0.09 0.00 0.00 178.44 179.25 3ih5 h ALA 29 N 0.48 1.86 -0.59 1.53 0.00 0.18 0.31 119.26 123.03 3ih5 h ALA 29 Ca -0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ih5 h ALA 29 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ih5 h ALA 29 CO 0.03 -0.22 0.19 -0.91 0.00 0.00 0.00 179.25 178.33 3ih5 h ASN 30 N 0.64 0.85 0.24 0.00 2.35 -0.83 -0.21 115.58 118.61 3ih5 h ASN 30 Ca 0.56 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.98 3ih5 h ASN 30 Cb 1.04 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3ih5 h ASN 30 CO -0.33 0.82 -0.49 -0.08 -1.65 0.00 0.00 177.43 175.71 3ih5 h GLU 31 N 0.82 0.28 0.00 0.81 4.81 -0.29 -2.65 114.58 118.37 3ih5 h GLU 31 Ca 0.19 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3ih5 h GLU 31 Cb 0.27 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3ih5 h GLU 31 CO -0.01 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 180.26 3ih5 n LEU 32 N -3.97 0.33 -3.74 1.64 4.77 0.87 -4.92 117.00 111.98 3ih5 n LEU 32 Ca -0.02 0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 56.28 3ih5 n LEU 32 Cb 0.54 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3ih5 n LEU 32 CO 0.43 -0.13 -0.06 0.59 -1.33 0.00 0.00 177.39 176.89 3ih5 n ASN 33 N -1.82 -1.46 -2.95 -1.43 3.02 -0.21 -5.01 115.26 105.39 3ih5 n ASN 33 Ca 0.06 -0.83 -0.16 0.00 -0.03 0.00 0.00 54.58 53.61 3ih5 n ASN 33 Cb 0.35 -3.96 -0.05 0.00 -0.61 0.00 0.00 39.78 35.50 3ih5 n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ih5 s GLN 35 N -3.04 3.42 -0.30 0.00 -0.21 -1.26 -4.47 119.66 113.80 3ih5 s GLN 35 Ca 0.19 -0.69 -0.11 0.00 0.02 0.00 0.00 55.36 54.77 3ih5 s GLN 35 Cb 0.01 -2.84 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 3ih5 s GLN 35 CO 0.13 0.34 0.18 -1.17 -2.12 0.00 0.00 175.29 172.66 3ih5 s LEU 36 N -4.06 4.11 0.22 2.90 2.96 -1.26 -2.30 118.68 121.24 3ih5 s LEU 36 Ca 0.36 -0.24 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 3ih5 s LEU 36 Cb -0.09 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3ih5 s LEU 36 CO 0.31 -0.12 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.56 3ih5 s GLU 37 N 1.71 2.23 0.05 1.98 2.02 0.06 -0.22 118.70 126.53 3ih5 s GLU 37 Ca 0.06 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 3ih5 s GLU 37 Cb -0.16 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 3ih5 s GLU 37 CO 0.09 0.41 -0.03 0.00 0.02 0.00 0.00 175.26 175.75 3ih5 s ALA 38 N -2.00 0.47 -0.03 5.21 0.00 -0.32 -1.20 121.76 123.89 3ih5 s ALA 38 Ca 0.28 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3ih5 s ALA 38 Cb -0.08 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 3ih5 s ALA 38 CO 0.18 -0.32 -0.15 0.08 0.00 0.00 0.00 175.76 175.55 3ih5 s VAL 39 N -3.45 1.25 -0.01 0.00 1.01 -0.64 -0.58 120.40 117.98 3ih5 s VAL 39 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3ih5 s VAL 39 Cb 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3ih5 s VAL 39 CO -0.08 0.36 -0.04 -0.69 0.00 0.00 0.00 175.10 174.66 3ih5 s VAL 40 N -0.02 0.33 -0.05 2.92 1.01 -0.50 -1.01 120.40 123.07 3ih5 s VAL 40 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3ih5 s VAL 40 Cb -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.99 3ih5 s VAL 40 CO 0.01 0.11 -0.09 0.00 0.00 0.00 0.00 175.10 175.13 3ih5 s ALA 41 N 0.10 0.94 0.00 5.51 0.00 -1.26 -0.74 121.76 126.32 3ih5 s ALA 41 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3ih5 s ALA 41 Cb -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3ih5 s ALA 41 CO -0.00 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3ih5 n GLY 42 N 3.73 0.51 3.52 0.00 0.00 -0.49 -4.82 105.19 107.64 3ih5 n GLY 42 Ca -0.23 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 3ih5 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ih5 s THR 43 N -2.05 3.19 -0.81 2.61 2.01 -1.25 -1.69 115.64 117.65 3ih5 s THR 43 Ca 0.00 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 3ih5 s THR 43 Cb 0.00 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 3ih5 s THR 43 CO 0.00 0.35 0.73 0.61 -0.69 0.00 0.00 174.62 175.61 3ih5 n GLY 44 N 1.50 -0.92 1.64 4.40 0.00 -1.26 -4.96 105.19 105.58 3ih5 n GLY 44 Ca -0.16 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 3ih5 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ih5 n LEU 45 N -2.58 4.97 -0.23 0.99 4.77 -1.26 -4.78 117.00 118.87 3ih5 n LEU 45 Ca -0.04 -4.22 0.03 0.00 -0.03 0.00 0.00 56.01 51.75 3ih5 n LEU 45 Cb 0.57 -0.59 0.15 0.00 -2.33 0.00 0.00 43.42 41.22 3ih5 n LEU 45 CO 0.49 1.61 0.98 0.11 -1.33 0.00 0.00 177.39 179.24 3ih5 h LYS 46 N 1.58 0.37 -0.33 3.23 1.57 -2.02 -2.72 116.57 118.25 3ih5 h LYS 46 Ca 0.33 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3ih5 h LYS 46 Cb 1.45 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3ih5 h LYS 46 CO 0.71 0.25 0.00 0.39 -0.57 0.00 0.00 179.45 180.23 3ih5 n GLU 47 N -5.04 2.25 -0.29 3.15 1.02 -1.26 -4.66 120.64 115.81 3ih5 n GLU 47 Ca 0.12 -2.06 0.25 0.00 -0.02 0.00 0.00 57.16 55.44 3ih5 n GLU 47 Cb 0.36 -1.41 0.57 0.00 -0.02 0.00 0.00 31.44 30.94 3ih5 n GLU 47 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3ih5 h ILE 48 N 3.51 0.54 -0.64 -3.67 6.09 -1.82 -0.44 117.51 121.08 3ih5 h ILE 48 Ca 0.00 -0.10 0.19 0.00 -1.37 0.00 0.00 64.86 63.57 3ih5 h ILE 48 Cb 0.84 0.21 -0.03 0.00 0.47 0.00 0.00 36.82 38.31 3ih5 h ILE 48 CO 0.00 0.05 0.56 1.05 -3.07 0.00 0.00 178.15 176.75 3ih5 h GLU 49 N 0.30 0.00 0.00 2.19 4.11 -1.83 -1.43 114.58 117.92 3ih5 h GLU 49 Ca 0.55 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.91 3ih5 h GLU 49 Cb 1.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3ih5 h GLU 49 CO -0.20 0.00 -0.32 0.87 0.07 0.00 0.00 179.01 179.42 3ih5 h LYS 50 N 0.00 0.00 0.00 1.06 1.57 -1.46 -0.25 116.57 117.49 3ih5 h LYS 50 Ca 0.31 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3ih5 h LYS 50 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.73 3ih5 h LYS 50 CO -0.00 0.32 -0.41 1.96 -0.57 0.00 0.00 179.45 180.75 3ih5 h GLN 51 N 0.00 0.00 0.00 3.15 4.20 -1.45 -3.41 115.11 117.60 3ih5 h GLN 51 Ca -0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 3ih5 h GLN 51 Cb 0.65 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 3ih5 h GLN 51 CO 0.04 0.08 -2.08 -0.89 -0.67 0.00 0.00 178.83 175.31 3ih5 n ILE 52 N -2.99 1.08 -0.34 2.54 5.41 -0.98 -4.72 119.36 119.35 3ih5 n ILE 52 Ca 0.02 -0.27 0.08 0.00 1.00 0.00 0.00 62.75 63.58 3ih5 n ILE 52 Cb 0.58 -1.77 0.27 0.00 -0.71 0.00 0.00 39.64 38.01 3ih5 n ILE 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3ih5 h LEU 53 N -0.70 0.87 -2.59 1.39 3.38 -1.28 -2.07 115.31 114.31 3ih5 h LEU 53 Ca -0.49 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ih5 h LEU 53 Cb 1.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3ih5 h LEU 53 CO -0.30 0.45 0.08 -0.65 0.09 0.00 0.00 178.44 178.11 3ih5 h PRO 54 N 0.92 0.00 -0.00 1.13 0.11 -1.81 -0.53 132.00 131.82 3ih5 h PRO 54 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3ih5 h PRO 54 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3ih5 h PRO 54 CO -0.26 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 178.19 3ih5 n TYR 55 N -2.94 0.00 0.00 0.65 4.02 -0.78 0.10 117.16 118.22 3ih5 n TYR 55 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3ih5 n TYR 55 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3ih5 n TYR 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ih5 n GLY 56 N 1.04 1.44 3.66 2.72 0.00 -0.21 -4.46 105.19 109.37 3ih5 n GLY 56 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3ih5 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ih5 s VAL 57 N -2.00 4.39 -0.04 1.61 1.01 -1.17 -4.63 120.40 119.56 3ih5 s VAL 57 Ca 0.00 1.67 0.12 0.00 0.00 0.00 0.00 61.98 63.77 3ih5 s VAL 57 Cb 0.00 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 3ih5 s VAL 57 CO 0.00 -0.18 1.34 0.44 0.00 0.00 0.00 175.10 176.70 3ih5 h ASP 58 N 8.06 0.00 -3.45 3.32 3.32 -0.87 -3.33 116.42 123.47 3ih5 h ASP 58 Ca -0.24 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.62 3ih5 h ASP 58 Cb 1.09 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.35 3ih5 h ASP 58 CO 0.98 0.71 -0.47 -0.75 -1.72 0.00 0.00 179.24 177.99 3ih5 s LYS 59 N -2.85 0.23 -0.21 3.56 2.20 -1.15 -1.37 119.74 120.14 3ih5 s LYS 59 Ca 0.02 0.50 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 3ih5 s LYS 59 Cb 0.09 -0.06 0.05 0.00 -1.51 0.00 0.00 37.83 36.39 3ih5 s LYS 59 CO 0.78 -0.13 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.38 3ih5 s LEU 60 N 1.01 2.34 -0.25 5.43 2.96 0.35 -1.18 118.68 129.35 3ih5 s LEU 60 Ca -0.07 -0.97 -0.18 0.00 -0.22 0.00 0.00 54.13 52.70 3ih5 s LEU 60 Cb -0.08 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3ih5 s LEU 60 CO -0.07 -0.18 0.50 -1.00 -1.32 0.00 0.00 176.35 174.28 3ih5 s HIS 61 N 1.41 3.29 -0.19 5.38 3.76 0.26 -1.06 115.29 128.13 3ih5 s HIS 61 Ca -0.03 0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 55.51 3ih5 s HIS 61 Cb -0.17 -2.69 0.00 0.00 1.11 0.00 0.00 32.58 30.84 3ih5 s HIS 61 CO -0.07 -0.23 -0.12 0.08 -0.85 0.00 0.00 174.74 173.55 3ih5 s VAL 62 N 2.10 2.80 -0.25 -0.90 1.01 0.41 -1.42 120.40 124.14 3ih5 s VAL 62 Ca 0.21 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3ih5 s VAL 62 Cb -0.16 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3ih5 s VAL 62 CO 0.09 0.49 -0.05 -0.36 0.00 0.00 0.00 175.10 175.27 3ih5 s PHE 63 N 1.19 3.09 -0.23 5.22 0.08 0.08 -1.57 117.98 125.84 3ih5 s PHE 63 Ca 0.02 -1.57 0.00 0.00 0.12 0.00 0.00 56.93 55.50 3ih5 s PHE 63 Cb -0.14 -2.07 0.06 0.00 -0.57 0.00 0.00 43.02 40.30 3ih5 s PHE 63 CO -0.05 -0.73 -0.05 0.34 -0.10 0.00 0.00 175.22 174.63 3ih5 s ASP 64 N 1.32 3.71 0.08 1.36 -1.08 -1.26 -1.40 116.67 119.41 3ih5 s ASP 64 Ca -0.00 -1.11 -0.17 0.00 -0.52 0.00 0.00 52.55 50.75 3ih5 s ASP 64 Cb -0.17 -1.13 0.03 0.00 -1.46 0.00 0.00 42.92 40.20 3ih5 s ASP 64 CO -0.04 -0.23 0.40 0.00 0.52 0.00 0.00 175.17 175.82 3ih5 s ALA 65 N 1.44 -0.96 0.23 3.66 0.00 -0.68 -4.90 121.76 120.55 3ih5 s ALA 65 Ca -0.05 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 3ih5 s ALA 65 Cb -0.18 0.51 0.24 0.00 0.00 0.00 0.00 23.12 23.68 3ih5 s ALA 65 CO -0.06 -0.54 1.87 1.49 0.00 0.00 0.00 175.76 178.52 3ih5 h GLU 66 N 2.71 1.00 -0.82 0.00 4.57 -1.95 -2.70 114.58 117.39 3ih5 h GLU 66 Ca -0.33 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3ih5 h GLU 66 Cb 1.23 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3ih5 h GLU 66 CO 0.45 0.66 0.00 0.41 -1.18 0.00 0.00 179.01 179.36 3ih5 n GLY 67 N -1.32 2.16 0.83 1.92 0.00 -1.26 -3.54 105.19 103.98 3ih5 n GLY 67 Ca 0.10 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.81 3ih5 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ih5 n LEU 68 N 0.27 2.77 -3.78 0.99 4.77 -1.02 -4.87 117.00 116.13 3ih5 n LEU 68 Ca 0.12 -1.14 -0.14 0.00 -0.03 0.00 0.00 56.01 54.82 3ih5 n LEU 68 Cb 0.67 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.55 3ih5 n LEU 68 CO 0.14 0.52 -0.32 -0.47 -1.33 0.00 0.00 177.39 175.94 3ih5 s TYR 69 N -1.54 -0.03 1.06 -1.77 5.04 -1.23 -4.07 117.35 114.81 3ih5 s TYR 69 Ca 0.25 0.21 -0.15 0.00 -2.44 0.00 0.00 57.07 54.95 3ih5 s TYR 69 Cb 0.17 -0.17 0.22 0.00 0.35 0.00 0.00 41.96 42.53 3ih5 s TYR 69 CO 0.25 -0.10 1.11 -2.14 -1.34 0.00 0.00 175.55 173.33 3ih5 s PRO 70 N 0.96 -0.08 0.24 4.97 0.02 -1.26 -4.91 135.00 134.93 3ih5 s PRO 70 Ca -0.08 0.27 -0.31 0.00 0.02 0.00 0.00 61.00 60.91 3ih5 s PRO 70 Cb -0.11 -1.70 -0.14 0.00 0.02 0.00 0.00 34.50 32.57 3ih5 s PRO 70 CO -0.03 -3.02 1.33 0.98 -0.33 0.00 0.00 177.00 175.92 3ih5 n TYR 71 N -4.34 1.96 -3.98 6.54 4.19 -1.26 -5.02 117.16 115.26 3ih5 n TYR 71 Ca 0.08 0.51 -0.11 0.00 3.31 0.00 0.00 57.90 61.68 3ih5 n TYR 71 Cb 0.58 -2.41 -0.12 0.00 0.49 0.00 0.00 39.34 37.88 3ih5 n TYR 71 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 3ih5 s THR 72 N -0.24 0.17 0.16 2.97 -4.23 -1.26 -5.09 115.64 108.12 3ih5 s THR 72 Ca 0.67 -0.58 -0.16 0.00 -1.18 0.00 0.00 61.69 60.45 3ih5 s THR 72 Cb -0.68 -0.24 0.03 0.00 1.34 0.00 0.00 72.50 72.94 3ih5 s THR 72 CO 0.52 -0.26 1.77 0.28 -0.54 0.00 0.00 174.62 176.39 3ih5 h SER 73 N 5.24 0.27 0.06 3.99 0.02 -1.98 -3.16 113.55 117.99 3ih5 h SER 73 Ca -0.30 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3ih5 h SER 73 Cb 1.21 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3ih5 h SER 73 CO 0.45 0.20 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.24 3ih5 h LEU 74 N 0.38 -0.07 0.00 5.07 3.38 -1.99 -2.03 115.31 120.06 3ih5 h LEU 74 Ca 0.17 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ih5 h LEU 74 Cb 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ih5 h LEU 74 CO -0.13 0.42 -0.03 -0.65 0.09 0.00 0.00 178.44 178.15 3ih5 h PRO 75 N -0.59 -0.05 -0.11 1.13 0.11 -1.94 -1.16 132.00 129.39 3ih5 h PRO 75 Ca -0.01 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3ih5 h PRO 75 Cb 0.51 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3ih5 h PRO 75 CO 0.01 -0.03 -0.14 0.45 -0.21 0.00 0.00 178.00 178.08 3ih5 h HIS 76 N -0.05 0.18 -0.11 0.65 3.86 -1.63 -1.64 115.15 116.39 3ih5 h HIS 76 Ca 0.01 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3ih5 h HIS 76 Cb 0.07 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3ih5 h HIS 76 CO -0.10 0.31 -0.22 1.15 0.86 0.00 0.00 177.93 179.93 3ih5 h THR 77 N 0.16 1.38 0.03 2.45 2.02 -1.14 -2.74 112.91 115.07 3ih5 h THR 77 Ca 0.03 -1.49 0.03 0.00 0.77 0.00 0.00 66.41 65.75 3ih5 h THR 77 Cb 0.35 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 3ih5 h THR 77 CO 0.02 0.43 -0.24 0.28 0.37 0.00 0.00 175.52 176.38 3ih5 h SER 78 N -0.08 -0.72 -0.17 4.18 0.02 -0.93 -1.45 113.55 114.41 3ih5 h SER 78 Ca 0.01 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3ih5 h SER 78 Cb 0.80 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 3ih5 h SER 78 CO 0.05 -0.32 -0.46 0.40 -1.14 0.00 0.00 176.83 175.36 3ih5 h ILE 79 N -0.40 0.00 -0.49 3.27 2.04 -1.23 0.13 117.51 120.83 3ih5 h ILE 79 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3ih5 h ILE 79 Cb 0.47 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3ih5 h ILE 79 CO -0.20 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.21 3ih5 h LEU 80 N -0.45 0.53 0.09 1.44 3.38 -1.42 0.43 115.31 119.31 3ih5 h LEU 80 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ih5 h LEU 80 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ih5 h LEU 80 CO -0.39 0.38 -0.04 0.58 0.09 0.00 0.00 178.44 179.05 3ih5 h VAL 81 N 0.62 1.17 -0.52 1.22 2.07 -0.53 -1.32 116.25 118.96 3ih5 h VAL 81 Ca 0.19 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3ih5 h VAL 81 Cb -0.01 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3ih5 h VAL 81 CO -0.04 0.27 0.28 0.78 0.02 0.00 0.00 177.57 178.87 3ih5 h ASN 82 N -0.65 0.65 -0.77 0.57 2.35 -0.60 -0.66 115.58 116.48 3ih5 h ASN 82 Ca -0.01 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3ih5 h ASN 82 Cb 0.53 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 3ih5 h ASN 82 CO 0.02 0.57 0.39 0.25 -1.65 0.00 0.00 177.43 177.00 3ih5 h LEU 83 N 0.69 1.01 -0.21 1.61 5.85 -0.99 -2.54 115.31 120.74 3ih5 h LEU 83 Ca 0.18 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3ih5 h LEU 83 Cb 0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3ih5 h LEU 83 CO -0.03 0.85 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.11 3ih5 h PHE 84 N 1.11 0.00 -0.41 1.25 -1.00 -0.85 -0.78 116.94 116.27 3ih5 h PHE 84 Ca 0.27 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.96 3ih5 h PHE 84 Cb 0.10 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 3ih5 h PHE 84 CO 0.01 0.55 -0.11 0.87 -1.61 0.00 0.00 178.31 178.03 3ih5 h LYS 85 N 0.00 0.80 0.60 1.51 1.57 -0.93 0.14 116.57 120.26 3ih5 h LYS 85 Ca -0.01 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3ih5 h LYS 85 Cb 1.34 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.61 3ih5 h LYS 85 CO 0.07 0.93 -0.29 0.93 -0.57 0.00 0.00 179.45 180.53 3ih5 h GLU 86 N 0.62 -0.77 0.00 3.15 5.08 -1.30 -3.33 114.58 118.03 3ih5 h GLU 86 Ca 0.10 0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 3ih5 h GLU 86 Cb 0.64 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3ih5 h GLU 86 CO 0.04 -0.46 -0.51 0.93 -1.00 0.00 0.00 179.01 178.01 3ih5 h GLU 87 N -1.05 0.00 -5.88 2.33 4.39 -1.20 -3.48 114.58 109.70 3ih5 h GLU 87 Ca -0.08 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.26 3ih5 h GLU 87 Cb 0.67 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.45 3ih5 h GLU 87 CO 0.13 0.51 -0.87 1.04 -1.16 0.00 0.00 179.01 178.66 3ih5 n GLN 88 N -3.57 -2.82 -1.92 2.33 1.13 0.50 -4.74 117.38 108.28 3ih5 n GLN 88 Ca -0.00 0.67 -0.36 0.00 -1.94 0.00 0.00 57.00 55.36 3ih5 n GLN 88 Cb 0.60 -5.11 0.04 0.00 0.11 0.00 0.00 30.24 25.89 3ih5 n GLN 88 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3ih5 s PRO 89 N -5.37 2.87 0.29 -1.09 0.02 -1.26 -4.47 135.00 126.00 3ih5 s PRO 89 Ca 0.33 1.93 0.23 0.00 0.02 0.00 0.00 61.00 63.51 3ih5 s PRO 89 Cb -0.08 -1.94 0.17 0.00 0.02 0.00 0.00 34.50 32.67 3ih5 s PRO 89 CO 0.80 -1.31 1.29 -0.56 -0.33 0.00 0.00 177.00 176.89 3ih5 h GLN 90 N 0.85 0.00 -3.04 5.54 3.07 -0.86 -3.35 115.11 117.32 3ih5 h GLN 90 Ca -0.51 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.09 3ih5 h GLN 90 Cb 1.31 0.00 -0.24 0.00 0.08 0.00 0.00 27.48 28.63 3ih5 h GLN 90 CO 0.55 0.00 -0.36 0.42 0.09 0.00 0.00 178.83 179.53 3ih5 s ILE 91 N -3.29 0.01 -0.05 1.86 1.01 -1.16 -0.97 121.20 118.61 3ih5 s ILE 91 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3ih5 s ILE 91 Cb 0.08 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 42.12 3ih5 s ILE 91 CO 0.74 -0.07 -0.04 0.00 0.00 0.00 0.00 174.94 175.57 3ih5 s LEU 93 N 1.13 2.94 -0.18 0.00 1.43 -0.29 -2.59 118.68 121.12 3ih5 s LEU 93 Ca -0.08 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 51.86 3ih5 s LEU 93 Cb -0.14 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3ih5 s LEU 93 CO -0.01 -0.93 0.07 -0.83 0.23 0.00 0.00 176.35 174.88 3ih5 s GLY 95 N -4.21 1.91 -1.16 -3.19 0.00 -1.26 -1.52 107.32 97.89 3ih5 s GLY 95 Ca 0.39 -0.75 -0.22 0.00 0.00 0.00 0.00 44.72 44.14 3ih5 s GLY 95 CO 0.24 0.07 1.89 0.00 0.00 0.00 0.00 173.10 175.30 3ih5 s ALA 96 N 0.39 2.06 0.09 3.20 0.00 0.11 -3.70 121.76 123.91 3ih5 s ALA 96 Ca 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.79 3ih5 s ALA 96 Cb -0.12 -4.65 -0.00 0.00 0.00 0.00 0.00 23.12 18.34 3ih5 s ALA 96 CO 0.00 -4.81 0.01 0.25 0.00 0.00 0.00 175.76 171.21 3ih5 n THR 97 N 7.55 0.00 -0.32 0.00 -2.24 -1.26 -4.65 114.28 113.36 3ih5 n THR 97 Ca 0.44 -0.47 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 3ih5 n THR 97 Cb 0.47 0.12 0.09 0.00 -2.10 0.00 0.00 70.33 68.90 3ih5 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ih5 h VAL 98 N 1.08 1.23 -0.02 2.28 2.07 -1.99 0.18 116.25 121.09 3ih5 h VAL 98 Ca -0.08 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3ih5 h VAL 98 Cb 0.25 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3ih5 h VAL 98 CO 0.12 0.23 -0.02 0.40 0.02 0.00 0.00 177.57 178.32 3ih5 h ILE 99 N 1.19 1.39 -0.97 4.57 2.04 -1.95 -3.04 117.51 120.74 3ih5 h ILE 99 Ca 0.32 -1.18 0.16 0.00 1.00 0.00 0.00 64.86 65.16 3ih5 h ILE 99 Cb -0.11 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 3ih5 h ILE 99 CO -0.07 0.31 0.61 1.23 0.00 0.00 0.00 178.15 180.24 3ih5 h GLY 100 N -0.43 1.52 2.00 5.37 0.00 -1.60 -0.53 103.07 109.40 3ih5 h GLY 100 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3ih5 h GLY 100 CO 0.00 0.04 0.00 3.21 0.00 0.00 0.00 176.54 179.80 3ih5 h ARG 101 N 0.78 0.00 0.00 4.80 3.08 -0.55 -0.94 114.38 121.55 3ih5 h ARG 101 Ca 0.52 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 60.18 3ih5 h ARG 101 Cb 0.78 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 3ih5 h ARG 101 CO -0.29 0.00 -2.44 -3.47 -1.07 0.00 0.00 179.97 172.70 3ih5 n ASP 102 N -2.65 1.18 0.02 7.04 2.03 -0.63 -4.59 116.55 118.95 3ih5 n ASP 102 Ca 0.02 -0.08 -0.22 0.00 0.52 0.00 0.00 54.79 55.03 3ih5 n ASP 102 Cb 0.28 0.16 -0.14 0.00 -0.72 0.00 0.00 41.12 40.70 3ih5 n ASP 102 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3ih5 h LEU 103 N 0.00 0.43 0.01 -2.67 6.46 -1.05 -3.33 115.31 115.16 3ih5 h LEU 103 Ca -0.57 -0.87 0.03 0.00 -0.12 0.00 0.00 57.88 56.35 3ih5 h LEU 103 Cb 2.04 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 41.78 3ih5 h LEU 103 CO -0.04 1.67 -0.30 1.23 -0.62 0.00 0.00 178.44 180.38 3ih5 h GLY 104 N 0.25 -0.49 1.52 3.75 0.00 -1.38 -0.64 103.07 106.08 3ih5 h GLY 104 Ca -0.32 0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3ih5 h GLY 104 CO 0.08 -0.23 0.07 -2.55 0.00 0.00 0.00 176.54 173.91 3ih5 h PRO 105 N -0.46 0.61 -0.30 4.80 0.11 -1.78 -1.19 132.00 133.79 3ih5 h PRO 105 Ca 0.06 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3ih5 h PRO 105 Cb 0.54 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3ih5 h PRO 105 CO -0.25 0.58 0.09 0.00 -0.21 0.00 0.00 178.00 178.22 3ih5 h ARG 106 N 0.59 0.48 -0.14 1.05 3.08 -1.52 -1.95 114.38 115.96 3ih5 h ARG 106 Ca 0.13 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3ih5 h ARG 106 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3ih5 h ARG 106 CO 0.00 0.53 -0.42 0.28 -1.07 0.00 0.00 179.97 179.30 3ih5 h VAL 107 N 0.33 1.35 -0.35 2.04 2.07 -0.95 -2.39 116.25 118.35 3ih5 h VAL 107 Ca 0.10 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.82 3ih5 h VAL 107 Cb 0.26 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3ih5 h VAL 107 CO -0.00 0.51 -0.20 0.77 0.02 0.00 0.00 177.57 178.67 3ih5 h SER 108 N 0.17 0.66 -0.43 0.57 4.64 -1.26 -2.69 113.55 115.19 3ih5 h SER 108 Ca -0.01 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3ih5 h SER 108 Cb 1.04 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 3ih5 h SER 108 CO 0.09 0.86 0.16 0.28 -0.87 0.00 0.00 176.83 177.35 3ih5 h SER 109 N 0.58 0.61 0.35 4.97 0.02 -1.32 -0.34 113.55 118.42 3ih5 h SER 109 Ca 0.09 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3ih5 h SER 109 Cb 0.66 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 3ih5 h SER 109 CO 0.05 0.62 -0.04 0.00 -1.14 0.00 0.00 176.83 176.32 3ih5 h ALA 110 N 1.01 1.15 -0.34 3.77 0.00 -1.22 -2.67 119.26 120.96 3ih5 h ALA 110 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ih5 h ALA 110 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ih5 h ALA 110 CO -0.01 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3ih5 n LEU 111 N -3.35 3.24 -3.49 0.00 4.77 -1.02 -4.99 117.00 112.15 3ih5 n LEU 111 Ca -0.02 -2.27 -0.19 0.00 -0.03 0.00 0.00 56.01 53.50 3ih5 n LEU 111 Cb 0.18 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 3ih5 n LEU 111 CO 0.26 0.72 0.01 0.41 -1.33 0.00 0.00 177.39 177.46 3ih5 n THR 112 N 0.28 -6.37 -4.04 -5.08 -1.04 -0.72 -4.69 114.28 92.63 3ih5 n THR 112 Ca 0.15 -0.78 -0.11 0.00 -2.04 0.00 0.00 64.05 61.26 3ih5 n THR 112 Cb 0.56 -4.96 -0.11 0.00 -1.82 0.00 0.00 70.33 63.99 3ih5 n THR 112 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ih5 s SER 113 N -4.00 0.64 -0.55 8.00 1.04 -0.22 -4.57 113.70 114.03 3ih5 s SER 113 Ca 0.18 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.85 3ih5 s SER 113 Cb -0.04 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.22 3ih5 s SER 113 CO 0.77 -0.25 0.72 -0.83 0.98 0.00 0.00 173.24 174.62 3ih5 s GLY 114 N -1.61 1.69 0.30 7.32 0.00 -1.26 -4.12 107.32 109.64 3ih5 s GLY 114 Ca -0.11 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.47 3ih5 s GLY 114 CO -0.00 1.62 1.32 -0.10 0.00 0.00 0.00 173.10 175.93 3ih5 n LEU 115 N 6.51 3.22 -4.17 0.66 7.94 -1.26 -4.94 117.00 124.96 3ih5 n LEU 115 Ca -0.06 1.18 -0.34 0.00 -1.11 0.00 0.00 56.01 55.67 3ih5 n LEU 115 Cb 0.45 -1.45 -0.14 0.00 0.53 0.00 0.00 43.42 42.81 3ih5 n LEU 115 CO 0.57 -0.56 -0.39 -0.89 -1.11 0.00 0.00 177.39 175.01 3ih5 s THR 116 N -0.66 2.81 0.44 1.96 2.01 -1.26 -5.01 115.64 115.93 3ih5 s THR 116 Ca 0.61 -1.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 3ih5 s THR 116 Cb -0.61 -2.55 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 3ih5 s THR 116 CO 0.57 0.02 0.92 0.00 -0.69 0.00 0.00 174.62 175.44 3ih5 s ALA 117 N 1.26 3.11 -1.18 7.40 0.00 -1.26 -1.60 121.76 129.47 3ih5 s ALA 117 Ca -0.04 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 3ih5 s ALA 117 Cb -0.19 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3ih5 s ALA 117 CO -0.03 0.04 0.82 -0.25 0.00 0.00 0.00 175.76 176.35 3ih5 n ASP 118 N -0.91 -3.70 -4.84 0.00 8.00 -0.80 -4.82 116.55 109.48 3ih5 n ASP 118 Ca 0.06 -0.80 -0.32 0.00 0.71 0.00 0.00 54.79 54.44 3ih5 n ASP 118 Cb 0.54 -4.38 -0.01 0.00 -0.02 0.00 0.00 41.12 37.25 3ih5 n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih5 n THR 120 N -2.02 0.03 -4.02 0.00 -2.24 0.36 -4.44 114.28 101.94 3ih5 n THR 120 Ca 0.07 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 3ih5 n THR 120 Cb 0.54 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 3ih5 n THR 120 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ih5 s SER 121 N -2.86 0.34 -0.04 3.42 0.01 -1.04 -5.05 113.70 108.48 3ih5 s SER 121 Ca -0.03 -0.72 -0.00 0.00 1.31 0.00 0.00 55.95 56.51 3ih5 s SER 121 Cb 0.04 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.45 3ih5 s SER 121 CO 0.28 -0.44 -0.00 -0.76 0.41 0.00 0.00 173.24 172.73 3ih5 s LEU 122 N -2.13 0.93 0.37 2.44 1.43 -1.26 -1.85 118.68 118.62 3ih5 s LEU 122 Ca -0.05 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3ih5 s LEU 122 Cb -0.02 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 3ih5 s LEU 122 CO -0.05 -0.13 0.14 -1.61 0.23 0.00 0.00 176.35 174.92 3ih5 s GLU 123 N 1.37 1.80 -0.11 1.70 0.41 -0.98 -5.00 118.70 117.89 3ih5 s GLU 123 Ca -0.05 -2.07 0.01 0.00 -0.41 0.00 0.00 54.97 52.46 3ih5 s GLU 123 Cb -0.13 -0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 31.74 3ih5 s GLU 123 CO -0.02 -0.45 -0.15 0.42 -0.49 0.00 0.00 175.26 174.57 3ih5 s ILE 124 N -3.33 2.88 0.36 -1.63 -1.09 -1.26 -1.50 121.20 115.62 3ih5 s ILE 124 Ca 0.29 -0.74 -0.14 0.00 -2.23 0.00 0.00 60.65 57.83 3ih5 s ILE 124 Cb 0.04 -2.17 0.04 0.00 -1.58 0.00 0.00 42.46 38.79 3ih5 s ILE 124 CO 0.16 0.54 0.73 -0.83 -1.23 0.00 0.00 174.94 174.31 3ih5 s GLY 125 N 0.10 0.48 0.16 6.18 0.00 -0.35 -4.92 107.32 108.99 3ih5 s GLY 125 Ca -0.07 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 43.89 3ih5 s GLY 125 CO 0.05 -0.39 0.10 0.99 0.00 0.00 0.00 173.10 173.85 3ih5 s ASP 126 N -3.08 5.35 -0.07 1.64 1.01 -1.26 0.20 116.67 120.46 3ih5 s ASP 126 Ca 0.17 -0.19 -0.00 0.00 0.71 0.00 0.00 52.55 53.24 3ih5 s ASP 126 Cb -0.04 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.56 3ih5 s ASP 126 CO 0.12 0.08 -0.03 -2.28 0.21 0.00 0.00 175.17 173.27 3ih5 s HIS 127 N -1.73 0.88 -0.27 4.23 5.65 -0.02 -4.98 115.29 119.05 3ih5 s HIS 127 Ca 0.30 -0.31 -0.16 0.00 0.25 0.00 0.00 55.06 55.15 3ih5 s HIS 127 Cb -0.10 -0.85 -0.03 0.00 -1.18 0.00 0.00 32.58 30.41 3ih5 s HIS 127 CO 0.22 -0.32 0.42 -2.00 -0.65 0.00 0.00 174.74 172.41 3ih5 s GLU 128 N 1.54 4.02 -0.50 2.88 2.12 -1.26 -0.15 118.70 127.35 3ih5 s GLU 128 Ca -0.01 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.42 3ih5 s GLU 128 Cb -0.13 -3.66 0.13 0.00 0.26 0.00 0.00 34.13 30.73 3ih5 s GLU 128 CO -0.04 -0.31 0.29 0.34 -0.54 0.00 0.00 175.26 175.00 3ih5 s ASP 129 N 1.61 5.16 0.54 -1.70 2.15 -0.76 -4.97 116.67 118.71 3ih5 s ASP 129 Ca 0.17 -2.43 0.28 0.00 0.43 0.00 0.00 52.55 50.99 3ih5 s ASP 129 Cb -0.16 -1.82 1.57 0.00 -0.30 0.00 0.00 42.92 42.21 3ih5 s ASP 129 CO 0.10 -0.45 2.13 0.11 -0.17 0.00 0.00 175.17 176.90 3ih5 h LYS 130 N 7.51 0.00 -0.42 4.34 1.57 -1.87 -0.51 116.57 127.20 3ih5 h LYS 130 Ca -0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3ih5 h LYS 130 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 3ih5 h LYS 130 CO 0.70 0.08 0.01 -0.22 -0.57 0.00 0.00 179.45 179.44 3ih5 h LYS 131 N 0.00 0.74 -0.01 3.15 3.64 -1.94 -2.54 116.57 119.62 3ih5 h LYS 131 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3ih5 h LYS 131 Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3ih5 h LYS 131 CO 0.01 0.82 -0.16 -1.91 -2.27 0.00 0.00 179.45 175.94 3ih5 n GLU 132 N -4.42 1.02 0.00 1.90 4.07 -0.95 -4.94 120.64 117.32 3ih5 n GLU 132 Ca -0.00 -0.55 0.00 0.00 -0.06 0.00 0.00 57.16 56.54 3ih5 n GLU 132 Cb 0.29 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 3ih5 n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ih5 n GLY 133 N 1.28 2.20 3.91 8.31 0.00 -0.24 -4.96 105.19 115.68 3ih5 n GLY 133 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3ih5 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ih5 s LYS 134 N 0.00 2.91 -0.19 1.61 -2.85 -1.20 -4.80 119.74 115.22 3ih5 s LYS 134 Ca 0.00 0.16 -0.02 0.00 -1.00 0.00 0.00 55.97 55.12 3ih5 s LYS 134 Cb 0.00 -2.19 -0.00 0.00 -2.06 0.00 0.00 37.83 33.58 3ih5 s LYS 134 CO 0.00 -0.81 -0.10 0.08 0.10 0.00 0.00 175.35 174.62 3ih5 s VAL 135 N -3.12 3.00 -0.09 1.79 1.01 -1.26 -1.82 120.40 119.91 3ih5 s VAL 135 Ca 0.55 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 3ih5 s VAL 135 Cb -0.11 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3ih5 s VAL 135 CO 0.47 0.47 0.64 -0.31 0.00 0.00 0.00 175.10 176.38 3ih5 s TYR 136 N 1.17 3.55 0.02 5.22 2.02 0.79 -4.96 117.35 125.16 3ih5 s TYR 136 Ca 0.02 1.14 0.05 0.00 -0.37 0.00 0.00 57.07 57.90 3ih5 s TYR 136 Cb -0.14 -2.75 -0.03 0.00 -0.40 0.00 0.00 41.96 38.64 3ih5 s TYR 136 CO -0.03 0.09 -0.10 0.15 -1.57 0.00 0.00 175.55 174.08 3ih5 s LYS 137 N 0.85 2.39 -1.06 -0.62 1.02 -1.26 -0.84 119.74 120.22 3ih5 s LYS 137 Ca 0.34 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 3ih5 s LYS 137 Cb -0.17 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 3ih5 s LYS 137 CO 0.16 0.58 0.92 0.09 -0.92 0.00 0.00 175.35 176.17 3ih5 n ASN 138 N 1.51 -5.41 -4.93 2.83 3.02 -1.16 -4.98 115.26 106.15 3ih5 n ASN 138 Ca -0.15 -0.67 -0.27 0.00 -0.03 0.00 0.00 54.58 53.46 3ih5 n ASN 138 Cb 0.52 -5.09 -0.03 0.00 -0.61 0.00 0.00 39.78 34.57 3ih5 n ASN 138 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ih5 s LEU 139 N -5.57 4.18 -0.68 3.41 1.43 0.13 -4.85 118.68 116.73 3ih5 s LEU 139 Ca 0.34 0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 53.63 3ih5 s LEU 139 Cb -0.04 -3.23 0.04 0.00 0.03 0.00 0.00 46.19 42.99 3ih5 s LEU 139 CO 0.72 -0.10 1.13 -0.22 0.23 0.00 0.00 176.35 178.11 3ih5 s LEU 140 N -3.52 3.68 -0.30 1.79 2.96 -1.26 -1.21 118.68 120.82 3ih5 s LEU 140 Ca 0.39 -0.54 -0.28 0.00 -0.22 0.00 0.00 54.13 53.49 3ih5 s LEU 140 Cb -0.11 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3ih5 s LEU 140 CO 0.30 -1.61 2.14 -0.31 -1.32 0.00 0.00 176.35 175.55 3ih5 s TYR 141 N 4.93 1.32 -0.56 5.38 4.12 -0.56 -4.64 117.35 127.33 3ih5 s TYR 141 Ca 0.31 0.72 -0.17 0.00 0.02 0.00 0.00 57.07 57.95 3ih5 s TYR 141 Cb -0.11 -3.93 0.12 0.00 -1.52 0.00 0.00 41.96 36.52 3ih5 s TYR 141 CO 0.15 -3.53 0.58 -0.65 0.02 0.00 0.00 175.55 172.12 3ih5 s GLN 142 N 6.50 3.02 -0.21 -0.62 -0.21 -0.56 -2.33 119.66 125.25 3ih5 s GLN 142 Ca 0.94 -1.59 -0.10 0.00 0.02 0.00 0.00 55.36 54.63 3ih5 s GLN 142 Cb -0.27 -4.29 -0.05 0.00 1.00 0.00 0.00 33.01 29.39 3ih5 s GLN 142 CO 0.33 -1.40 0.13 0.42 -2.12 0.00 0.00 175.29 172.64 3ih5 s ILE 143 N 1.95 5.31 0.21 1.08 1.01 -0.77 -1.43 121.20 128.56 3ih5 s ILE 143 Ca 0.06 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 3ih5 s ILE 143 Cb -0.28 -3.43 0.05 0.00 0.01 0.00 0.00 42.46 38.81 3ih5 s ILE 143 CO 0.04 0.42 0.69 0.00 0.00 0.00 0.00 174.94 176.09 3ih5 s ARG 144 N 0.52 1.50 0.30 2.79 1.70 -0.95 -0.49 118.95 124.32 3ih5 s ARG 144 Ca 0.07 -0.72 -0.29 0.00 -0.47 0.00 0.00 55.73 54.32 3ih5 s ARG 144 Cb -0.12 0.58 -0.10 0.00 -0.57 0.00 0.00 34.95 34.74 3ih5 s ARG 144 CO -0.00 -0.67 1.31 -2.14 -1.08 0.00 0.00 175.30 172.71 3ih5 s PRO 145 N -3.78 4.37 0.12 3.89 0.02 -1.26 -1.04 135.00 137.33 3ih5 s PRO 145 Ca 0.07 2.17 -0.22 0.00 0.02 0.00 0.00 61.00 63.04 3ih5 s PRO 145 Cb -0.03 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 3ih5 s PRO 145 CO -0.03 -0.20 1.69 0.00 -0.33 0.00 0.00 177.00 178.14 3ih5 h ALA 146 N 3.93 -0.03 -2.53 -1.55 0.00 -0.61 -3.46 119.26 115.01 3ih5 h ALA 146 Ca -0.48 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ih5 h ALA 146 Cb 1.22 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ih5 h ALA 146 CO 0.69 -0.56 -0.00 1.97 0.00 0.00 0.00 179.25 181.35 3ih5 n PHE 147 N -5.25 -0.49 0.00 0.00 -1.74 -1.26 -5.08 117.46 103.64 3ih5 n PHE 147 Ca -0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 57.45 56.84 3ih5 n PHE 147 Cb 0.17 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.17 3ih5 n PHE 147 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3ih5 n GLY 148 N -0.00 1.88 0.00 4.97 0.00 -1.26 -4.50 105.19 106.27 3ih5 n GLY 148 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ih5 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih5 n GLY 149 N 0.00 0.48 0.09 -0.02 0.00 -1.26 -4.90 105.19 99.58 3ih5 n GLY 149 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3ih5 n GLY 149 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ih5 n ASN 150 N 0.00 0.66 -4.55 1.61 3.02 -1.26 -4.82 115.26 109.92 3ih5 n ASN 150 Ca 0.00 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 3ih5 n ASN 150 Cb 0.00 0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 39.49 3ih5 n ASN 150 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ih5 s ILE 151 N -2.85 5.01 -0.03 2.41 1.01 -1.26 -5.04 121.20 120.45 3ih5 s ILE 151 Ca -0.05 0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.97 3ih5 s ILE 151 Cb 0.09 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3ih5 s ILE 151 CO 0.82 -0.25 -0.23 -0.69 0.00 0.00 0.00 174.94 174.59 3ih5 s VAL 152 N 2.41 2.31 0.22 2.92 1.01 -1.26 0.18 120.40 128.19 3ih5 s VAL 152 Ca 0.19 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3ih5 s VAL 152 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3ih5 s VAL 152 CO 0.14 0.58 0.13 0.00 0.00 0.00 0.00 175.10 175.95 3ih5 s ALA 153 N -0.61 1.35 -0.18 5.51 0.00 -0.21 -4.88 121.76 122.74 3ih5 s ALA 153 Ca 0.10 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.31 3ih5 s ALA 153 Cb -0.10 1.30 0.03 0.00 0.00 0.00 0.00 23.12 24.35 3ih5 s ALA 153 CO -0.00 -0.56 -0.13 0.99 0.00 0.00 0.00 175.76 176.06 3ih5 s THR 154 N -4.02 1.70 0.04 0.00 2.01 -1.26 -2.23 115.64 111.88 3ih5 s THR 154 Ca 0.39 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 3ih5 s THR 154 Cb 0.07 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.84 3ih5 s THR 154 CO 0.13 0.31 0.56 -0.63 -0.69 0.00 0.00 174.62 174.30 3ih5 s ILE 155 N 1.40 4.82 0.06 1.82 -1.09 -0.52 -4.91 121.20 122.79 3ih5 s ILE 155 Ca 0.01 1.18 0.04 0.00 -2.23 0.00 0.00 60.65 59.65 3ih5 s ILE 155 Cb -0.15 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 3ih5 s ILE 155 CO -0.10 0.52 -0.11 0.68 -1.23 0.00 0.00 174.94 174.70 3ih5 s VAL 156 N -0.83 0.87 -0.64 2.92 -7.23 -1.26 -1.49 120.40 112.74 3ih5 s VAL 156 Ca 0.29 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 3ih5 s VAL 156 Cb -0.19 -0.94 0.16 0.00 0.56 0.00 0.00 36.38 35.97 3ih5 s VAL 156 CO 0.18 -0.33 0.43 0.20 -0.31 0.00 0.00 175.10 175.26 3ih5 s ASN 157 N -1.79 4.95 0.48 4.85 0.01 -1.26 -4.99 114.94 117.19 3ih5 s ASN 157 Ca -0.04 -3.18 0.15 0.00 -0.71 0.00 0.00 52.86 49.08 3ih5 s ASN 157 Cb -0.09 -1.76 1.14 0.00 0.41 0.00 0.00 41.25 40.95 3ih5 s ASN 157 CO 0.01 -0.25 2.07 -0.65 -1.51 0.00 0.00 177.10 176.77 3ih5 h PRO 158 N 6.46 0.21 0.00 -0.60 0.11 -1.99 -3.33 132.00 132.86 3ih5 h PRO 158 Ca 0.01 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3ih5 h PRO 158 Cb 0.88 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3ih5 h PRO 158 CO 0.72 0.14 -1.22 0.39 -0.21 0.00 0.00 178.00 177.83 3ih5 n GLU 159 N -4.49 0.09 -2.19 1.05 1.02 -1.26 -5.04 120.64 109.82 3ih5 n GLU 159 Ca 0.03 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 3ih5 n GLU 159 Cb 0.21 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 3ih5 n GLU 159 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ih5 s HIS 160 N -2.07 3.20 0.07 -0.32 3.76 -1.25 -5.04 115.29 113.63 3ih5 s HIS 160 Ca -0.05 1.34 0.04 0.00 -0.15 0.00 0.00 55.06 56.24 3ih5 s HIS 160 Cb 0.02 -3.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.07 3ih5 s HIS 160 CO 0.08 -1.77 -0.12 1.03 -0.85 0.00 0.00 174.74 173.11 3ih5 s ARG 161 N -0.94 0.76 0.56 1.40 1.81 -1.26 -4.07 118.95 117.21 3ih5 s ARG 161 Ca 0.52 -0.94 -0.15 0.00 -1.72 0.00 0.00 55.73 53.44 3ih5 s ARG 161 Cb -0.38 -0.66 -0.06 0.00 -0.45 0.00 0.00 34.95 33.40 3ih5 s ARG 161 CO 0.45 0.14 1.01 -1.25 -0.68 0.00 0.00 175.30 174.97 3ih5 s PRO 162 N -1.87 3.68 1.02 3.54 0.04 -1.26 -4.71 135.00 135.44 3ih5 s PRO 162 Ca -0.03 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 3ih5 s PRO 162 Cb -0.09 -2.09 0.20 0.00 0.04 0.00 0.00 34.50 32.56 3ih5 s PRO 162 CO 0.02 -0.50 1.08 -0.65 0.04 0.00 0.00 177.00 176.98 3ih5 s GLN 163 N -4.23 0.25 0.00 4.56 -0.21 -0.14 -4.81 119.66 115.07 3ih5 s GLN 163 Ca 0.60 0.69 0.00 0.00 0.02 0.00 0.00 55.36 56.66 3ih5 s GLN 163 Cb -0.12 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.19 3ih5 s GLN 163 CO 0.36 -2.90 0.00 0.00 -2.12 0.00 0.00 175.29 170.64 3ih5 n ALA 165 N -4.32 0.00 -2.47 6.09 0.00 -1.07 -1.16 120.51 117.58 3ih5 n ALA 165 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 3ih5 n ALA 165 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 3ih5 n ALA 165 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ih5 s THR 166 N -2.00 2.55 0.00 0.00 -4.23 -0.63 -4.42 115.64 106.92 3ih5 s THR 166 Ca 0.00 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 58.42 3ih5 s THR 166 Cb 0.00 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 3ih5 s THR 166 CO 0.00 -0.22 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.12 3ih5 s VAL 167 N -1.98 0.41 0.50 2.29 1.01 -1.26 -0.82 120.40 120.55 3ih5 s VAL 167 Ca 0.25 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 3ih5 s VAL 167 Cb -0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 36.38 35.85 3ih5 s VAL 167 CO 0.13 0.02 1.05 -0.13 0.00 0.00 0.00 175.10 176.16 3ih5 s ARG 168 N -0.39 3.73 0.18 2.72 1.81 -1.26 0.04 118.95 125.78 3ih5 s ARG 168 Ca -0.00 1.37 -0.33 0.00 -1.72 0.00 0.00 55.73 55.04 3ih5 s ARG 168 Cb -0.03 -2.08 -0.14 0.00 -0.45 0.00 0.00 34.95 32.24 3ih5 s ARG 168 CO -0.00 -0.49 1.51 -1.91 -0.68 0.00 0.00 175.30 173.73 3ih5 n GLU 169 N -1.06 2.05 -0.36 3.54 2.13 -1.26 -2.63 120.64 123.06 3ih5 n GLU 169 Ca 0.09 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3ih5 n GLU 169 Cb 0.52 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.77 3ih5 n GLU 169 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ih5 n GLY 170 N 2.98 0.70 0.09 8.31 0.00 -1.26 -5.07 105.19 110.95 3ih5 n GLY 170 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ih5 n GLY 170 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ih5 n VAL 171 N -2.00 0.00 -5.08 1.61 0.31 -1.08 -5.12 118.33 106.98 3ih5 n VAL 171 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3ih5 n VAL 171 Cb 0.00 -0.11 -0.15 0.00 -0.91 0.00 0.00 33.84 32.67 3ih5 n VAL 171 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3ih5 s LYS 173 N -1.81 2.01 -0.05 5.55 -2.85 -1.26 -5.09 119.74 116.24 3ih5 s LYS 173 Ca 0.00 -0.99 -0.02 0.00 -1.00 0.00 0.00 55.97 53.97 3ih5 s LYS 173 Cb 0.00 -2.05 -0.04 0.00 -2.06 0.00 0.00 37.83 33.68 3ih5 s LYS 173 CO 0.00 0.54 0.05 -1.59 0.10 0.00 0.00 175.35 174.45 3ih5 s LYS 174 N -0.93 3.04 -0.29 1.78 -2.85 -1.26 -4.58 119.74 114.66 3ih5 s LYS 174 Ca 0.11 -0.43 -0.15 0.00 -1.00 0.00 0.00 55.97 54.50 3ih5 s LYS 174 Cb -0.10 -2.85 0.13 0.00 -2.06 0.00 0.00 37.83 32.94 3ih5 s LYS 174 CO 0.01 0.68 0.85 -2.00 0.10 0.00 0.00 175.35 174.99 3ih5 s GLU 175 N -1.30 0.49 0.84 1.78 2.12 -1.26 -5.04 118.70 116.33 3ih5 s GLU 175 Ca 0.18 0.95 -0.11 0.00 0.36 0.00 0.00 54.97 56.34 3ih5 s GLU 175 Cb -0.12 0.25 0.10 0.00 0.26 0.00 0.00 34.13 34.62 3ih5 s GLU 175 CO 0.08 -0.12 1.10 0.96 -0.54 0.00 0.00 175.26 176.73 3ih5 s ILE 176 N 1.79 2.87 -0.19 -3.70 -4.36 -1.26 -4.77 121.20 111.59 3ih5 s ILE 176 Ca -0.08 0.28 -0.16 0.00 -0.26 0.00 0.00 60.65 60.43 3ih5 s ILE 176 Cb -0.05 -2.92 -0.21 0.00 1.25 0.00 0.00 42.46 40.53 3ih5 s ILE 176 CO -0.17 -0.37 0.21 0.52 0.24 0.00 0.00 174.94 175.37 3ih5 n VAL 177 N -3.63 1.61 -3.64 8.37 0.31 0.12 -4.95 118.33 116.51 3ih5 n VAL 177 Ca 0.07 -0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.10 3ih5 n VAL 177 Cb 0.56 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.50 3ih5 n VAL 177 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3ih5 s SER 178 N -6.95 -0.27 0.59 4.52 0.15 -1.11 -5.02 113.70 105.60 3ih5 s SER 178 Ca -0.28 0.50 0.38 0.00 0.70 0.00 0.00 55.95 57.25 3ih5 s SER 178 Cb 0.07 0.64 2.06 0.00 -1.71 0.00 0.00 66.02 67.08 3ih5 s SER 178 CO 0.64 -0.09 2.16 -0.65 1.20 0.00 0.00 173.24 176.50 3ih5 h PRO 179 N 4.11 0.00 -0.48 5.44 0.11 -1.96 -1.42 132.00 137.79 3ih5 h PRO 179 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ih5 h PRO 179 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ih5 h PRO 179 CO 0.16 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.95 3ih5 n ALA 180 N -1.99 3.23 -1.74 -0.75 0.00 -1.26 -4.79 120.51 113.21 3ih5 n ALA 180 Ca -0.03 -1.87 -0.42 0.00 0.00 0.00 0.00 53.44 51.12 3ih5 n ALA 180 Cb 0.10 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 3ih5 n ALA 180 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ih5 n TYR 181 N 0.43 2.74 -4.55 0.00 4.19 -0.54 -4.97 117.16 114.45 3ih5 n TYR 181 Ca 0.24 0.37 -0.33 0.00 3.31 0.00 0.00 57.90 61.48 3ih5 n TYR 181 Cb 0.95 -2.54 -0.13 0.00 0.49 0.00 0.00 39.34 38.11 3ih5 n TYR 181 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 3ih5 s GLN 182 N -1.11 3.52 -0.05 2.98 -1.52 -1.26 -4.65 119.66 117.57 3ih5 s GLN 182 Ca 0.60 -0.58 -0.18 0.00 -1.95 0.00 0.00 55.36 53.25 3ih5 s GLN 182 Cb -0.52 -2.79 0.04 0.00 -0.22 0.00 0.00 33.01 29.52 3ih5 s GLN 182 CO 0.55 0.26 0.40 0.20 -0.25 0.00 0.00 175.29 176.44 3ih5 s GLY 183 N 0.29 -0.26 0.29 3.09 0.00 -1.25 -4.65 107.32 104.81 3ih5 s GLY 183 Ca -0.06 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 3ih5 s GLY 183 CO 0.04 0.43 1.59 1.85 0.00 0.00 0.00 173.10 177.02 3ih5 s GLU 184 N -1.04 4.13 -0.29 2.90 2.12 -0.47 -4.85 118.70 121.20 3ih5 s GLU 184 Ca -0.11 2.57 -0.01 0.00 0.36 0.00 0.00 54.97 57.78 3ih5 s GLU 184 Cb -0.04 -3.03 0.05 0.00 0.26 0.00 0.00 34.13 31.37 3ih5 s GLU 184 CO 0.05 -0.63 -0.02 0.08 -0.54 0.00 0.00 175.26 174.20 3ih5 s VAL 185 N 0.04 2.89 -0.23 3.70 1.01 -1.26 -0.49 120.40 126.05 3ih5 s VAL 185 Ca 0.64 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 3ih5 s VAL 185 Cb -0.48 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3ih5 s VAL 185 CO 0.47 -0.04 0.15 -0.63 0.00 0.00 0.00 175.10 175.05 3ih5 s ILE 186 N 1.25 5.31 -0.53 2.22 1.09 -0.23 -4.97 121.20 125.35 3ih5 s ILE 186 Ca -0.05 0.16 -0.17 0.00 -1.10 0.00 0.00 60.65 59.50 3ih5 s ILE 186 Cb -0.19 -3.47 0.10 0.00 -1.06 0.00 0.00 42.46 37.84 3ih5 s ILE 186 CO -0.02 0.36 0.52 -0.13 -0.10 0.00 0.00 174.94 175.57 3ih5 s ARG 187 N 0.97 3.01 0.78 2.79 0.52 -1.26 -0.45 118.95 125.30 3ih5 s ARG 187 Ca 0.07 -1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 53.70 3ih5 s ARG 187 Cb -0.13 -4.23 0.06 0.00 0.52 0.00 0.00 34.95 31.17 3ih5 s ARG 187 CO 0.04 -1.27 1.08 -1.01 0.02 0.00 0.00 175.30 174.15 3ih5 s HIS 188 N 1.90 2.77 -0.19 -0.53 3.76 -0.61 -4.98 115.29 117.41 3ih5 s HIS 188 Ca 0.06 1.35 -0.27 0.00 -0.15 0.00 0.00 55.06 56.06 3ih5 s HIS 188 Cb -0.26 -3.03 -0.01 0.00 1.11 0.00 0.00 32.58 30.38 3ih5 s HIS 188 CO 0.05 -1.72 0.91 0.34 -0.85 0.00 0.00 174.74 173.48 3ih5 s ASP 189 N -3.66 7.02 -0.02 1.40 3.68 -1.26 -4.77 116.67 119.07 3ih5 s ASP 189 Ca 0.60 1.26 -0.23 0.00 2.13 0.00 0.00 52.55 56.32 3ih5 s ASP 189 Cb -0.16 -2.49 -0.15 0.00 -1.45 0.00 0.00 42.92 38.67 3ih5 s ASP 189 CO 0.55 -0.49 1.04 0.58 0.13 0.00 0.00 175.17 176.98 3ih5 h VAL 190 N 5.28 0.60 -0.95 1.11 2.07 -1.94 -3.28 116.25 119.14 3ih5 h VAL 190 Ca -0.26 -0.74 0.30 0.00 0.82 0.00 0.00 66.70 66.82 3ih5 h VAL 190 Cb 1.11 0.93 -0.16 0.00 -1.52 0.00 0.00 31.29 31.65 3ih5 h VAL 190 CO 0.88 0.12 0.30 0.11 0.02 0.00 0.00 177.57 179.00 3ih5 h LYS 191 N -0.87 0.13 -1.05 1.57 1.57 -1.98 0.48 116.57 116.41 3ih5 h LYS 191 Ca -0.04 -0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.00 3ih5 h LYS 191 Cb 0.52 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.71 3ih5 h LYS 191 CO 0.07 0.08 0.68 -0.22 -0.57 0.00 0.00 179.45 179.49 3ih5 h LYS 192 N 0.13 0.36 -0.01 3.15 3.11 -2.00 -1.27 116.57 120.04 3ih5 h LYS 192 Ca 0.66 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.47 3ih5 h LYS 192 Cb 1.47 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.62 3ih5 h LYS 192 CO -0.74 0.24 -0.52 0.66 -2.81 0.00 0.00 179.45 176.27 3ih5 n TYR 193 N -4.62 0.00 0.00 1.91 4.02 0.17 -4.45 117.16 114.19 3ih5 n TYR 193 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 3ih5 n TYR 193 Cb 0.90 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 3ih5 n TYR 193 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3ih5 n VAL 194 N -0.16 0.00 1.51 -0.72 0.24 -0.95 -3.07 118.33 115.20 3ih5 n VAL 194 Ca 0.09 -0.12 0.13 0.00 -2.04 0.00 0.00 64.34 62.40 3ih5 n VAL 194 Cb 0.46 0.57 0.74 0.00 -1.47 0.00 0.00 33.84 34.13 3ih5 n VAL 194 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ih5 n ALA 195 N -0.84 2.42 0.09 2.33 0.00 -0.52 -2.46 120.51 121.53 3ih5 n ALA 195 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 3ih5 n ALA 195 Cb 0.00 -1.43 0.24 0.00 0.00 0.00 0.00 19.45 18.27 3ih5 n ALA 195 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3ih5 h ASP 196 N 0.00 0.28 -2.23 0.00 2.03 -1.85 -3.43 116.42 111.22 3ih5 h ASP 196 Ca 0.00 -0.11 -0.58 0.00 -0.73 0.00 0.00 57.03 55.61 3ih5 h ASP 196 Cb 0.08 -0.08 0.04 0.00 -0.83 0.00 0.00 39.33 38.54 3ih5 h ASP 196 CO 0.00 0.62 0.99 0.41 -1.03 0.00 0.00 179.24 180.23 3ih5 n THR 197 N -4.07 0.32 -3.42 1.15 -1.04 -1.03 -4.95 114.28 101.24 3ih5 n THR 197 Ca -0.01 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.05 61.50 3ih5 n THR 197 Cb 0.44 -1.81 -0.04 0.00 -1.82 0.00 0.00 70.33 67.11 3ih5 n THR 197 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ih5 s ASP 198 N 2.58 6.34 -0.32 8.00 3.68 -1.26 -4.98 116.67 130.71 3ih5 s ASP 198 Ca 0.85 -2.61 -0.01 0.00 2.13 0.00 0.00 52.55 52.91 3ih5 s ASP 198 Cb -0.64 -2.13 0.13 0.00 -1.45 0.00 0.00 42.92 38.84 3ih5 s ASP 198 CO 0.43 -0.56 0.26 -0.47 0.13 0.00 0.00 175.17 174.96 3ih5 s TYR 199 N 0.29 -0.05 -0.11 -5.34 5.04 -1.26 -5.14 117.35 110.78 3ih5 s TYR 199 Ca 0.16 -0.70 -0.00 0.00 -2.44 0.00 0.00 57.07 54.08 3ih5 s TYR 199 Cb -0.15 -0.63 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 3ih5 s TYR 199 CO -0.06 -0.89 -0.09 0.08 -1.34 0.00 0.00 175.55 173.24 3ih5 s VAL 200 N 1.91 3.46 -0.17 3.14 1.01 -1.26 -5.10 120.40 123.40 3ih5 s VAL 200 Ca 0.12 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3ih5 s VAL 200 Cb -0.16 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3ih5 s VAL 200 CO -0.23 0.54 0.32 -0.69 0.00 0.00 0.00 175.10 175.05 3ih5 s VAL 201 N -0.07 5.28 0.26 2.92 1.01 -1.26 -5.10 120.40 123.44 3ih5 s VAL 201 Ca -0.00 0.60 0.12 0.00 0.00 0.00 0.00 61.98 62.69 3ih5 s VAL 201 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3ih5 s VAL 201 CO 0.03 0.36 -0.19 -0.54 0.00 0.00 0.00 175.10 174.76 3ih5 s LYS 202 N 0.65 1.72 0.14 2.72 1.02 -1.26 -5.13 119.74 119.60 3ih5 s LYS 202 Ca 0.17 -1.68 -0.28 0.00 0.02 0.00 0.00 55.97 54.20 3ih5 s LYS 202 Cb -0.13 -1.83 -0.07 0.00 -0.52 0.00 0.00 37.83 35.28 3ih5 s LYS 202 CO 0.05 0.35 0.89 0.08 -0.92 0.00 0.00 175.35 175.80 3ih5 s VAL 203 N -2.33 4.42 -2.25 3.17 1.01 -1.26 -5.37 120.40 117.79 3ih5 s VAL 203 Ca 0.28 1.94 0.30 0.00 0.00 0.00 0.00 61.98 64.50 3ih5 s VAL 203 Cb -0.06 -4.26 0.73 0.00 0.00 0.00 0.00 36.38 32.79 3ih5 s VAL 203 CO 0.15 0.40 1.99 -0.38 0.00 0.00 0.00 175.10 177.25