#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iah n TYR 3 N 0.00 2.24 -3.40 4.41 9.36 -1.26 -4.92 117.16 123.59 3iah n TYR 3 Ca 0.00 0.15 -0.26 0.00 3.32 0.00 0.00 57.90 61.11 3iah n TYR 3 Cb 0.00 -2.60 -0.09 0.00 -0.63 0.00 0.00 39.34 36.02 3iah n TYR 3 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3iah n GLN 4 N 5.81 0.60 -1.44 2.98 6.02 -1.26 -4.84 117.38 125.25 3iah n GLN 4 Ca 0.22 -3.40 -0.30 0.00 -0.01 0.00 0.00 57.00 53.52 3iah n GLN 4 Cb 0.26 -1.66 0.12 0.00 1.02 0.00 0.00 30.24 29.98 3iah n GLN 4 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3iah s PRO 5 N -0.52 1.58 0.66 -1.09 0.04 -1.26 -5.01 135.00 129.41 3iah s PRO 5 Ca 0.33 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 3iah s PRO 5 Cb 0.07 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3iah s PRO 5 CO -0.17 -1.96 1.18 0.15 0.04 0.00 0.00 177.00 176.24 3iah s LYS 6 N -5.11 2.59 0.08 4.56 1.02 -1.26 -4.89 119.74 116.73 3iah s LYS 6 Ca 0.62 1.70 0.12 0.00 0.02 0.00 0.00 55.97 58.43 3iah s LYS 6 Cb -0.16 -1.90 0.55 0.00 -0.52 0.00 0.00 37.83 35.80 3iah s LYS 6 CO 0.55 -1.47 1.38 0.94 -0.92 0.00 0.00 175.35 175.83 3iah n GLN 7 N -2.24 0.05 -0.55 1.68 -0.06 -1.26 -1.94 117.38 113.05 3iah n GLN 7 Ca 0.13 0.40 0.08 0.00 -2.00 0.00 0.00 57.00 55.61 3iah n GLN 7 Cb 0.50 -1.61 0.31 0.00 -4.06 0.00 0.00 30.24 25.38 3iah n GLN 7 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 3iah n ASP 8 N -1.70 4.41 -0.31 1.69 5.75 -1.26 -3.75 116.55 121.38 3iah n ASP 8 Ca 0.02 -2.64 0.13 0.00 -0.01 0.00 0.00 54.79 52.28 3iah n ASP 8 Cb 0.11 -0.54 0.30 0.00 -1.03 0.00 0.00 41.12 39.97 3iah n ASP 8 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3iah h LEU 9 N 3.07 0.39 -3.44 -2.12 5.85 -1.33 -2.46 115.31 115.26 3iah h LEU 9 Ca 0.00 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3iah h LEU 9 Cb 1.44 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 3iah h LEU 9 CO 0.24 0.04 0.06 0.18 -0.34 0.00 0.00 178.44 178.62 3iah n LEU 10 N -5.01 4.74 -4.75 2.25 4.77 0.58 -4.81 117.00 114.79 3iah n LEU 10 Ca 0.22 -3.19 -0.41 0.00 -0.03 0.00 0.00 56.01 52.59 3iah n LEU 10 Cb 0.64 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3iah n LEU 10 CO 0.14 0.80 1.18 -1.58 -1.33 0.00 0.00 177.39 176.61 3iah s GLN 11 N -2.94 4.19 -1.22 3.23 0.74 -0.93 -1.83 119.66 120.89 3iah s GLN 11 Ca 0.48 2.45 0.00 0.00 0.05 0.00 0.00 55.36 58.33 3iah s GLN 11 Cb 0.39 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 31.43 3iah s GLN 11 CO 0.09 -0.54 0.00 -1.71 -0.55 0.00 0.00 175.29 172.58 3iah n ASN 12 N 2.37 -4.36 -4.22 6.67 5.15 -1.26 -4.96 115.26 114.65 3iah n ASN 12 Ca 0.08 -0.01 -0.32 0.00 -0.60 0.00 0.00 54.58 53.73 3iah n ASN 12 Cb 0.39 -3.52 -0.17 0.00 -0.53 0.00 0.00 39.78 35.95 3iah n ASN 12 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3iah s ARG 13 N -4.69 3.05 -0.30 1.20 1.81 -0.76 -5.02 118.95 114.23 3iah s ARG 13 Ca 0.00 -0.88 -0.11 0.00 -1.72 0.00 0.00 55.73 53.02 3iah s ARG 13 Cb 0.00 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 32.14 3iah s ARG 13 CO 0.00 0.16 0.20 0.42 -0.68 0.00 0.00 175.30 175.39 3iah s ILE 14 N 0.40 5.20 -0.09 1.52 1.01 -1.26 -0.70 121.20 127.27 3iah s ILE 14 Ca -0.17 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3iah s ILE 14 Cb -0.18 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3iah s ILE 14 CO 0.08 0.17 -0.11 -0.63 0.00 0.00 0.00 174.94 174.44 3iah s ILE 15 N 1.73 1.16 -0.16 2.92 1.01 -0.34 -0.11 121.20 127.41 3iah s ILE 15 Ca 0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 3iah s ILE 15 Cb -0.16 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 3iah s ILE 15 CO 0.10 0.37 0.16 -0.22 0.00 0.00 0.00 174.94 175.36 3iah s LEU 16 N 1.04 4.30 -0.12 2.97 0.20 -0.17 -0.84 118.68 126.05 3iah s LEU 16 Ca -0.07 0.38 0.01 0.00 0.69 0.00 0.00 54.13 55.14 3iah s LEU 16 Cb -0.15 -2.13 0.02 0.00 -0.43 0.00 0.00 46.19 43.50 3iah s LEU 16 CO -0.01 0.27 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.50 3iah s VAL 17 N -0.24 1.43 0.35 1.68 1.01 -0.19 -0.60 120.40 123.84 3iah s VAL 17 Ca 0.12 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3iah s VAL 17 Cb -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3iah s VAL 17 CO 0.02 0.43 0.61 0.42 0.00 0.00 0.00 175.10 176.58 3iah s THR 18 N 1.30 5.02 -1.41 3.92 -4.23 -0.66 -0.91 115.64 118.67 3iah s THR 18 Ca -0.00 -0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.34 3iah s THR 18 Cb -0.14 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.93 3iah s THR 18 CO -0.06 -0.52 1.13 0.61 -0.54 0.00 0.00 174.62 175.23 3iah n GLY 19 N -1.52 -0.54 0.09 3.99 0.00 -0.62 -3.48 105.19 103.12 3iah n GLY 19 Ca -0.02 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.39 3iah n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iah n ALA 20 N -4.90 2.66 1.07 4.61 0.00 -0.72 -3.60 120.51 119.61 3iah n ALA 20 Ca 0.02 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.34 3iah n ALA 20 Cb 0.55 -1.43 0.40 0.00 0.00 0.00 0.00 19.45 18.97 3iah n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iah n SER 21 N -0.85 0.41 -3.70 0.00 3.41 -1.26 -3.43 113.62 108.20 3iah n SER 21 Ca 0.21 -0.14 -0.05 0.00 -0.26 0.00 0.00 58.87 58.62 3iah n SER 21 Cb 0.19 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 3iah n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iah s ASP 22 N -2.90 -0.18 0.59 4.04 -1.08 -1.25 -4.83 116.67 111.05 3iah s ASP 22 Ca 0.15 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 3iah s ASP 22 Cb 0.18 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 42.25 3iah s ASP 22 CO 0.62 -1.14 0.00 0.61 0.52 0.00 0.00 175.17 175.78 3iah n GLY 23 N -0.49 2.42 0.24 2.66 0.00 -1.26 -2.12 105.19 106.64 3iah n GLY 23 Ca -0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 3iah n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iah h ILE 24 N 0.00 1.11 -0.74 -0.61 2.04 -1.93 -2.49 117.51 114.89 3iah h ILE 24 Ca 0.00 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3iah h ILE 24 Cb 0.00 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 3iah h ILE 24 CO 0.00 0.14 0.49 1.23 0.00 0.00 0.00 178.15 180.01 3iah h GLY 25 N 0.76 1.04 0.95 5.37 0.00 -1.59 0.11 103.07 109.71 3iah h GLY 25 Ca 0.23 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.19 3iah h GLY 25 CO -0.08 0.37 0.26 -0.09 0.00 0.00 0.00 176.54 177.00 3iah h ARG 26 N 0.99 0.51 -0.54 4.80 2.43 -1.23 0.02 114.38 121.36 3iah h ARG 26 Ca 0.27 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3iah h ARG 26 Cb -0.10 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3iah h ARG 26 CO -0.06 0.34 0.11 1.49 -1.51 0.00 0.00 179.97 180.33 3iah h GLU 27 N 0.52 0.89 -0.53 0.20 4.57 -1.00 -1.80 114.58 117.43 3iah h GLU 27 Ca 0.16 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3iah h GLU 27 Cb -0.03 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 3iah h GLU 27 CO -0.06 0.85 0.33 0.00 -1.18 0.00 0.00 179.01 178.95 3iah h ALA 28 N 1.00 0.68 0.03 2.92 0.00 -0.44 0.69 119.26 124.13 3iah h ALA 28 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3iah h ALA 28 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iah h ALA 28 CO 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.29 3iah h ALA 29 N 1.23 -0.04 -0.54 0.00 0.00 -0.75 0.15 119.26 119.30 3iah h ALA 29 Ca 0.21 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3iah h ALA 29 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iah h ALA 29 CO -0.09 -0.51 0.35 -0.07 0.00 0.00 0.00 179.25 178.94 3iah h LEU 30 N -0.07 0.61 -0.16 0.00 3.38 -1.14 -2.13 115.31 115.80 3iah h LEU 30 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3iah h LEU 30 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3iah h LEU 30 CO 0.01 0.44 -0.02 0.74 0.09 0.00 0.00 178.44 179.70 3iah h THR 31 N 0.72 1.27 -0.97 0.22 2.02 -0.69 -1.79 112.91 113.69 3iah h THR 31 Ca 0.20 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.51 3iah h THR 31 Cb -0.07 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3iah h THR 31 CO -0.05 0.27 0.63 1.88 0.37 0.00 0.00 175.52 178.62 3iah h TYR 32 N 0.02 1.18 -0.79 3.16 0.05 -0.64 -1.69 116.97 118.25 3iah h TYR 32 Ca 0.04 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 3iah h TYR 32 Cb 0.42 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3iah h TYR 32 CO 0.04 0.67 0.32 0.00 -1.05 0.00 0.00 178.16 178.13 3iah h ALA 33 N 1.40 1.03 0.00 3.88 0.00 -1.23 -1.38 119.26 122.96 3iah h ALA 33 Ca 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3iah h ALA 33 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3iah h ALA 33 CO -0.13 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.62 3iah h ARG 34 N 1.15 0.00 -0.63 0.00 3.08 -0.59 -2.09 114.38 115.30 3iah h ARG 34 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3iah h ARG 34 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3iah h ARG 34 CO -0.02 0.16 0.00 0.66 -1.07 0.00 0.00 179.97 179.69 3iah n TYR 35 N -4.14 1.23 0.00 3.04 4.01 -0.71 -4.86 117.16 115.73 3iah n TYR 35 Ca -0.02 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 3iah n TYR 35 Cb 0.23 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3iah n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iah n GLY 36 N 0.85 0.06 3.76 2.72 0.00 -0.78 -0.30 105.19 111.49 3iah n GLY 36 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3iah n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iah s ALA 37 N -2.00 2.41 -0.56 4.61 0.00 -0.58 -3.97 121.76 121.67 3iah s ALA 37 Ca 0.00 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 3iah s ALA 37 Cb 0.00 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 19.86 3iah s ALA 37 CO 0.00 -1.37 0.67 0.99 0.00 0.00 0.00 175.76 176.05 3iah s THR 38 N -2.24 4.84 0.02 0.00 2.01 0.12 -4.45 115.64 115.94 3iah s THR 38 Ca 0.69 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 3iah s THR 38 Cb -0.22 -4.41 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 3iah s THR 38 CO 0.41 -1.00 0.45 -0.69 -0.69 0.00 0.00 174.62 173.10 3iah s VAL 39 N 2.67 4.96 -0.20 3.82 1.01 -1.26 -1.20 120.40 130.19 3iah s VAL 39 Ca 0.13 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 3iah s VAL 39 Cb -0.22 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3iah s VAL 39 CO 0.08 0.57 -0.14 -0.63 0.00 0.00 0.00 175.10 174.99 3iah s ILE 40 N -1.08 2.54 -0.20 2.22 1.01 -0.02 -3.76 121.20 121.91 3iah s ILE 40 Ca 0.25 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3iah s ILE 40 Cb -0.17 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3iah s ILE 40 CO 0.15 0.46 0.11 -0.76 0.00 0.00 0.00 174.94 174.90 3iah s LEU 41 N 1.35 4.11 -0.04 2.97 1.02 -0.50 -1.02 118.68 126.57 3iah s LEU 41 Ca 0.04 0.19 0.06 0.00 0.02 0.00 0.00 54.13 54.44 3iah s LEU 41 Cb -0.14 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 3iah s LEU 41 CO -0.09 0.18 -0.20 -0.76 0.02 0.00 0.00 176.35 175.49 3iah s LEU 42 N 0.38 2.37 0.00 1.79 1.02 -0.09 -0.61 118.68 123.54 3iah s LEU 42 Ca 0.07 -0.35 -0.18 0.00 0.02 0.00 0.00 54.13 53.69 3iah s LEU 42 Cb -0.11 -1.44 0.06 0.00 0.02 0.00 0.00 46.19 44.72 3iah s LEU 42 CO -0.01 0.32 0.85 0.61 0.02 0.00 0.00 176.35 178.14 3iah n GLY 43 N 2.43 0.66 0.03 -3.19 0.00 -1.11 -1.59 105.19 102.43 3iah n GLY 43 Ca -0.17 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.80 3iah n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iah n ARG 44 N -0.60 0.86 -3.43 1.61 1.85 -1.26 -0.76 116.66 114.93 3iah n ARG 44 Ca -0.01 -0.10 -0.44 0.00 -1.00 0.00 0.00 57.85 56.31 3iah n ARG 44 Cb 0.46 -1.37 -0.08 0.00 -1.05 0.00 0.00 32.46 30.41 3iah n ARG 44 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3iah s ASN 45 N -4.12 6.07 0.20 2.89 3.84 -1.26 -4.81 114.94 117.75 3iah s ASN 45 Ca -0.06 -1.28 -0.10 0.00 0.21 0.00 0.00 52.86 51.62 3iah s ASN 45 Cb 0.08 -2.15 0.24 0.00 -0.55 0.00 0.00 41.25 38.86 3iah s ASN 45 CO 0.63 -0.60 1.76 -0.08 -2.79 0.00 0.00 177.10 176.02 3iah h GLU 46 N 8.69 0.46 -0.41 0.43 4.81 -1.98 -1.04 114.58 125.53 3iah h GLU 46 Ca -0.28 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 3iah h GLU 46 Cb 1.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3iah h GLU 46 CO 0.84 0.30 0.07 0.93 -0.73 0.00 0.00 179.01 180.42 3iah h GLU 47 N 0.47 0.68 -0.42 1.92 4.39 -1.99 -0.47 114.58 119.16 3iah h GLU 47 Ca 0.28 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3iah h GLU 47 Cb 0.29 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3iah h GLU 47 CO -0.25 0.72 0.24 0.87 -1.16 0.00 0.00 179.01 179.43 3iah h LYS 48 N 0.54 0.58 -0.67 2.33 1.57 -1.87 -1.99 116.57 117.06 3iah h LYS 48 Ca 0.13 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3iah h LYS 48 Cb 0.36 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3iah h LYS 48 CO 0.01 0.45 0.43 -0.07 -0.57 0.00 0.00 179.45 179.69 3iah h LEU 49 N 0.55 0.71 -0.69 2.94 3.38 -1.02 -2.29 115.31 118.88 3iah h LEU 49 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iah h LEU 49 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3iah h LEU 49 CO -0.03 0.50 0.41 -0.09 0.09 0.00 0.00 178.44 179.33 3iah h ARG 50 N 0.84 0.93 -0.46 1.13 2.43 -0.86 -1.14 114.38 117.25 3iah h ARG 50 Ca 0.26 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3iah h ARG 50 Cb -0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3iah h ARG 50 CO -0.09 0.66 0.24 0.00 -1.51 0.00 0.00 179.97 179.27 3iah h ARG 51 N 0.94 0.66 -0.72 0.20 3.08 -0.99 -0.28 114.38 117.26 3iah h ARG 51 Ca 0.25 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3iah h ARG 51 Cb -0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3iah h ARG 51 CO -0.05 0.54 0.31 0.28 -1.07 0.00 0.00 179.97 179.98 3iah h VAL 52 N 0.61 1.25 -0.31 2.04 2.07 -1.12 -1.22 116.25 119.56 3iah h VAL 52 Ca 0.16 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3iah h VAL 52 Cb 0.09 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3iah h VAL 52 CO -0.02 0.30 0.18 0.00 0.02 0.00 0.00 177.57 178.05 3iah h ALA 53 N 1.15 0.39 -0.92 1.67 0.00 -0.88 -1.84 119.26 118.83 3iah h ALA 53 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iah h ALA 53 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3iah h ALA 53 CO -0.02 -0.10 0.57 0.37 0.00 0.00 0.00 179.25 180.07 3iah h GLN 54 N 0.39 1.23 -0.67 0.00 5.75 -0.84 0.68 115.11 121.66 3iah h GLN 54 Ca 0.11 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 3iah h GLN 54 Cb 0.03 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.28 3iah h GLN 54 CO -0.02 0.85 0.26 1.25 -2.65 0.00 0.00 178.83 178.52 3iah h HIS 55 N 1.26 1.00 -0.22 3.99 2.76 -0.76 0.33 115.15 123.51 3iah h HIS 55 Ca 0.33 -0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 58.27 3iah h HIS 55 Cb -0.08 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.58 3iah h HIS 55 CO 0.00 0.77 -0.52 0.82 -1.30 0.00 0.00 177.93 177.70 3iah h ILE 56 N 0.97 1.30 -0.80 6.26 2.04 -0.81 -3.13 117.51 123.34 3iah h ILE 56 Ca 0.22 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.37 3iah h ILE 56 Cb 0.20 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3iah h ILE 56 CO -0.02 0.55 0.53 0.00 0.00 0.00 0.00 178.15 179.21 3iah h ALA 57 N 0.61 1.47 -0.42 1.87 0.00 -0.38 0.19 119.26 122.61 3iah h ALA 57 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iah h ALA 57 Cb 1.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3iah h ALA 57 CO 0.11 0.47 0.12 -0.44 0.00 0.00 0.00 179.25 179.51 3iah h ASP 58 N 1.04 0.56 0.08 0.00 3.32 -0.89 0.24 116.42 120.76 3iah h ASP 58 Ca 0.30 -0.08 -0.35 0.00 0.02 0.00 0.00 57.03 56.93 3iah h ASP 58 Cb -0.06 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3iah h ASP 58 CO -0.08 0.55 -1.95 -0.62 -1.72 0.00 0.00 179.24 175.42 3iah n GLU 59 N -4.33 0.70 0.02 3.56 1.02 -0.92 -4.44 120.64 116.24 3iah n GLU 59 Ca 0.03 0.31 0.11 0.00 -0.02 0.00 0.00 57.16 57.59 3iah n GLU 59 Cb 0.18 -1.68 0.12 0.00 -0.02 0.00 0.00 31.44 30.04 3iah n GLU 59 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3iah n GLN 60 N -3.67 0.12 -1.34 3.49 1.13 0.64 -4.95 117.38 112.80 3iah n GLN 60 Ca -0.35 0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.60 3iah n GLN 60 Cb 0.96 -1.55 -0.05 0.00 0.11 0.00 0.00 30.24 29.71 3iah n GLN 60 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3iah n HIS 61 N -1.72 0.00 -3.69 1.08 8.25 0.84 -4.93 115.22 115.05 3iah n HIS 61 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 3iah n HIS 61 Cb 0.38 -2.66 -0.16 0.00 1.12 0.00 0.00 29.99 28.67 3iah n HIS 61 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3iah s VAL 62 N -2.11 0.45 -0.14 1.59 1.01 -1.25 -5.03 120.40 114.92 3iah s VAL 62 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 3iah s VAL 62 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3iah s VAL 62 CO 0.00 -0.40 1.13 -1.58 0.00 0.00 0.00 175.10 174.26 3iah s GLN 63 N 1.87 4.31 0.49 2.72 0.74 -1.26 -4.23 119.66 124.30 3iah s GLN 63 Ca 0.03 1.53 -0.18 0.00 0.05 0.00 0.00 55.36 56.79 3iah s GLN 63 Cb -0.17 -3.63 -0.09 0.00 1.10 0.00 0.00 33.01 30.23 3iah s GLN 63 CO -0.16 -0.53 0.98 -1.25 -0.55 0.00 0.00 175.29 173.78 3iah s PRO 64 N 2.74 4.01 0.41 1.67 0.04 -1.26 -5.02 135.00 137.59 3iah s PRO 64 Ca 0.51 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 3iah s PRO 64 Cb -0.20 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 3iah s PRO 64 CO 0.15 -0.22 0.82 -0.65 0.04 0.00 0.00 177.00 177.14 3iah s GLN 65 N -3.73 3.91 0.09 4.56 -0.21 -1.25 -4.87 119.66 118.17 3iah s GLN 65 Ca 0.61 0.68 0.06 0.00 0.02 0.00 0.00 55.36 56.72 3iah s GLN 65 Cb -0.10 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 3iah s GLN 65 CO 0.25 -0.04 -0.15 1.67 -2.12 0.00 0.00 175.29 174.91 3iah s TRP 66 N -2.31 1.31 -0.02 0.91 1.48 -1.26 -1.40 118.94 117.65 3iah s TRP 66 Ca 0.55 -0.49 0.02 0.00 -1.06 0.00 0.00 56.10 55.12 3iah s TRP 66 Cb -0.10 -0.72 0.00 0.00 -1.16 0.00 0.00 33.47 31.49 3iah s TRP 66 CO 0.26 0.09 -0.07 -0.06 -4.06 0.00 0.00 176.95 173.11 3iah s PHE 67 N -1.56 0.77 -0.07 1.66 0.08 0.22 -4.94 117.98 114.15 3iah s PHE 67 Ca 0.02 -0.17 -0.16 0.00 0.12 0.00 0.00 56.93 56.74 3iah s PHE 67 Cb -0.08 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.77 3iah s PHE 67 CO 0.03 -0.07 0.41 0.95 -0.10 0.00 0.00 175.22 176.43 3iah s THR 68 N 0.12 5.13 -0.28 0.64 -4.23 -1.26 -2.73 115.64 113.03 3iah s THR 68 Ca -0.01 0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 3iah s THR 68 Cb -0.07 -3.73 0.16 0.00 1.34 0.00 0.00 72.50 70.20 3iah s THR 68 CO 0.00 0.47 0.53 -0.22 -0.54 0.00 0.00 174.62 174.86 3iah s LEU 69 N -0.28 -1.09 -0.38 4.79 2.96 0.06 -4.96 118.68 119.78 3iah s LEU 69 Ca 0.23 0.83 -0.21 0.00 -0.22 0.00 0.00 54.13 54.76 3iah s LEU 69 Cb -0.15 1.84 0.01 0.00 0.50 0.00 0.00 46.19 48.39 3iah s LEU 69 CO 0.11 -0.26 0.67 -0.62 -1.32 0.00 0.00 176.35 174.93 3iah s ASP 70 N 2.76 6.42 0.57 3.68 3.68 -1.26 -4.17 116.67 128.34 3iah s ASP 70 Ca 0.13 0.04 0.36 0.00 2.13 0.00 0.00 52.55 55.20 3iah s ASP 70 Cb -0.14 -2.34 1.59 0.00 -1.45 0.00 0.00 42.92 40.58 3iah s ASP 70 CO -0.19 -0.69 2.06 -0.07 0.13 0.00 0.00 175.17 176.42 3iah h LEU 71 N 9.58 0.00 0.00 -1.34 3.38 -1.95 -0.31 115.31 124.66 3iah h LEU 71 Ca -0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.55 3iah h LEU 71 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3iah h LEU 71 CO 0.87 0.00 -0.85 0.25 0.09 0.00 0.00 178.44 178.80 3iah h LEU 72 N 0.00 0.00 -0.47 1.67 5.85 -1.91 -3.38 115.31 117.07 3iah h LEU 72 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3iah h LEU 72 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3iah h LEU 72 CO 0.00 0.75 -0.14 0.35 -0.34 0.00 0.00 178.44 179.06 3iah n THR 73 N -3.25 0.00 -2.52 1.05 -2.24 -1.06 -4.92 114.28 101.34 3iah n THR 73 Ca -0.01 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 3iah n THR 73 Cb 0.85 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 70.09 3iah n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iah s THR 75 N -1.94 2.82 0.32 0.00 -4.23 -1.26 -4.98 115.64 106.36 3iah s THR 75 Ca 0.67 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3iah s THR 75 Cb -0.17 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3iah s THR 75 CO 0.21 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.26 3iah h ALA 76 N 0.79 1.49 -0.46 3.99 0.00 -2.00 -1.72 119.26 121.35 3iah h ALA 76 Ca -0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3iah h ALA 76 Cb 1.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3iah h ALA 76 CO 0.50 0.45 0.27 1.49 0.00 0.00 0.00 179.25 181.96 3iah h GLU 77 N 1.00 0.64 -0.05 0.00 4.57 -1.99 -1.99 114.58 116.75 3iah h GLU 77 Ca 0.30 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 3iah h GLU 77 Cb -0.03 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3iah h GLU 77 CO -0.08 0.48 -0.11 0.93 -1.18 0.00 0.00 179.01 179.05 3iah h GLU 78 N 0.61 0.08 -0.16 1.92 5.08 -1.71 -0.13 114.58 120.27 3iah h GLU 78 Ca 0.17 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3iah h GLU 78 Cb 0.02 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iah h GLU 78 CO -0.03 0.20 -0.28 0.00 -1.00 0.00 0.00 179.01 177.90 3iah h ARG 80 N 0.12 0.76 -0.65 0.00 9.65 -0.92 -0.88 114.38 122.45 3iah h ARG 80 Ca 0.01 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3iah h ARG 80 Cb 0.87 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 3iah h ARG 80 CO 0.06 0.60 0.33 0.37 2.80 0.00 0.00 179.97 184.13 3iah h GLN 81 N 0.76 0.93 -0.31 0.20 4.15 -0.95 0.21 115.11 120.11 3iah h GLN 81 Ca 0.19 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 3iah h GLN 81 Cb 0.10 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3iah h GLN 81 CO -0.02 0.72 -0.19 0.28 -1.93 0.00 0.00 178.83 177.69 3iah h VAL 82 N 0.90 1.30 -0.60 2.39 2.07 -0.97 -0.32 116.25 121.01 3iah h VAL 82 Ca 0.23 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3iah h VAL 82 Cb 0.09 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3iah h VAL 82 CO -0.03 0.42 0.22 0.00 0.02 0.00 0.00 177.57 178.20 3iah h ALA 83 N 0.75 1.26 -0.61 1.67 0.00 -0.91 0.20 119.26 121.62 3iah h ALA 83 Ca 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3iah h ALA 83 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3iah h ALA 83 CO 0.05 0.54 0.10 -0.44 0.00 0.00 0.00 179.25 179.50 3iah h ASP 84 N 0.86 0.96 -0.50 0.00 3.45 -0.37 0.45 116.42 121.28 3iah h ASP 84 Ca 0.20 -0.26 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 3iah h ASP 84 Cb 0.20 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 3iah h ASP 84 CO -0.01 0.98 0.16 0.03 -1.57 0.00 0.00 179.24 178.83 3iah h ARG 85 N 0.91 0.77 -0.22 3.56 3.08 -0.38 -1.78 114.38 120.31 3iah h ARG 85 Ca 0.18 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3iah h ARG 85 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3iah h ARG 85 CO 0.01 0.71 0.09 0.82 -1.07 0.00 0.00 179.97 180.53 3iah h ILE 86 N 0.67 1.17 -0.00 2.04 2.04 -0.78 -2.75 117.51 119.89 3iah h ILE 86 Ca 0.16 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3iah h ILE 86 Cb 0.26 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3iah h ILE 86 CO -0.01 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3iah h ALA 87 N 0.93 1.87 -0.46 1.87 0.00 -0.77 0.22 119.26 122.92 3iah h ALA 87 Ca 0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3iah h ALA 87 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3iah h ALA 87 CO -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.19 3iah h ALA 88 N 2.00 1.06 0.00 0.00 0.00 -1.02 -3.31 119.26 117.98 3iah h ALA 88 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 3iah h ALA 88 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3iah h ALA 88 CO -0.00 0.58 -2.11 0.72 0.00 0.00 0.00 179.25 178.45 3iah n HIS 89 N -4.19 0.13 -4.61 0.00 8.25 -0.37 -4.98 115.22 109.44 3iah n HIS 89 Ca 0.02 0.04 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 3iah n HIS 89 Cb 0.33 -0.81 -0.14 0.00 1.12 0.00 0.00 29.99 30.48 3iah n HIS 89 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iah s TYR 90 N -2.96 1.57 -0.73 4.41 2.02 0.63 -5.05 117.35 117.25 3iah s TYR 90 Ca -0.08 -0.34 0.26 0.00 -0.37 0.00 0.00 57.07 56.53 3iah s TYR 90 Cb 0.10 -0.96 0.88 0.00 -0.40 0.00 0.00 41.96 41.58 3iah s TYR 90 CO 0.86 0.04 1.78 -0.35 -1.57 0.00 0.00 175.55 176.31 3iah n PRO 91 N 2.10 0.22 -3.85 -1.71 -0.04 -1.26 -4.33 135.00 126.13 3iah n PRO 91 Ca -0.17 0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 3iah n PRO 91 Cb 0.54 -1.78 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 3iah n PRO 91 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3iah s ARG 92 N -3.12 1.05 -0.10 0.54 1.70 -1.26 -4.91 118.95 112.85 3iah s ARG 92 Ca 0.10 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 3iah s ARG 92 Cb 0.12 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 3iah s ARG 92 CO 0.55 -0.49 -0.09 -0.51 -1.08 0.00 0.00 175.30 173.68 3iah s LEU 93 N -3.34 1.34 0.22 -1.89 1.43 -0.68 -4.85 118.68 110.90 3iah s LEU 93 Ca 0.21 -0.30 0.23 0.00 -1.03 0.00 0.00 54.13 53.23 3iah s LEU 93 Cb -0.01 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.43 3iah s LEU 93 CO 0.03 -0.07 1.11 0.44 0.23 0.00 0.00 176.35 178.09 3iah h ASP 94 N 7.78 0.00 -4.70 2.29 3.32 -0.82 -3.36 116.42 120.93 3iah h ASP 94 Ca -0.31 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.64 3iah h ASP 94 Cb 1.15 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 3iah h ASP 94 CO 0.43 0.01 -0.04 -0.83 -1.72 0.00 0.00 179.24 177.09 3iah s GLY 95 N -4.29 -0.39 -0.08 2.75 0.00 -0.83 -1.20 107.32 103.29 3iah s GLY 95 Ca 0.01 1.04 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 3iah s GLY 95 CO 0.78 0.78 0.02 0.14 0.00 0.00 0.00 173.10 174.82 3iah s VAL 96 N -0.82 0.25 -0.38 1.40 1.01 -0.48 -0.99 120.40 120.39 3iah s VAL 96 Ca -0.09 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 3iah s VAL 96 Cb -0.03 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.93 3iah s VAL 96 CO 0.05 0.17 0.18 -0.22 0.00 0.00 0.00 175.10 175.29 3iah s LEU 97 N 2.02 4.75 -0.94 3.92 2.96 0.23 -0.64 118.68 130.99 3iah s LEU 97 Ca 0.04 -1.38 -0.21 0.00 -0.22 0.00 0.00 54.13 52.36 3iah s LEU 97 Cb -0.13 -1.91 0.09 0.00 0.50 0.00 0.00 46.19 44.74 3iah s LEU 97 CO -0.05 -0.43 1.24 -1.00 -1.32 0.00 0.00 176.35 174.79 3iah s HIS 98 N 1.38 2.83 -0.17 5.38 3.76 0.98 -1.65 115.29 127.81 3iah s HIS 98 Ca 0.01 -1.07 0.18 0.00 -0.15 0.00 0.00 55.06 54.03 3iah s HIS 98 Cb -0.21 -4.45 -0.25 0.00 1.11 0.00 0.00 32.58 28.77 3iah s HIS 98 CO 0.02 -1.69 0.13 -1.71 -0.85 0.00 0.00 174.74 170.63 3iah n ASN 99 N 7.63 0.21 -4.65 1.40 5.15 -1.25 -2.57 115.26 121.18 3iah n ASN 99 Ca 0.24 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.81 3iah n ASN 99 Cb 0.50 1.12 0.01 0.00 -0.53 0.00 0.00 39.78 40.88 3iah n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iah n ALA 100 N -2.65 0.67 -3.53 5.20 0.00 -1.23 -4.86 120.51 114.12 3iah n ALA 100 Ca -0.27 0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3iah n ALA 100 Cb 1.05 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 3iah n ALA 100 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iah s GLY 101 N -0.59 -0.40 -0.07 0.00 0.00 -1.26 -4.85 107.32 100.14 3iah s GLY 101 Ca 0.61 1.45 0.05 0.00 0.00 0.00 0.00 44.72 46.83 3iah s GLY 101 CO 0.58 0.67 -0.24 -2.27 0.00 0.00 0.00 173.10 171.84 3iah s LEU 102 N -1.81 2.06 0.00 0.66 2.96 -1.26 -5.05 118.68 116.24 3iah s LEU 102 Ca 0.01 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 3iah s LEU 102 Cb -0.01 -1.35 -0.34 0.00 0.50 0.00 0.00 46.19 44.99 3iah s LEU 102 CO -0.03 0.21 0.90 0.25 -1.32 0.00 0.00 176.35 176.36 3iah h LEU 103 N 6.30 0.77 0.00 -0.68 5.85 -1.99 -3.46 115.31 122.10 3iah h LEU 103 Ca -0.28 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.52 3iah h LEU 103 Cb 1.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3iah h LEU 103 CO 0.47 1.71 0.00 0.61 -0.34 0.00 0.00 178.44 180.90 3iah n GLY 104 N 1.75 -0.18 3.26 3.75 0.00 -1.26 -4.31 105.19 108.20 3iah n GLY 104 Ca -0.19 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 3iah n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iah s GLU 105 N 0.00 2.36 -0.05 1.61 0.41 -1.26 -5.06 118.70 116.71 3iah s GLU 105 Ca 0.00 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 3iah s GLU 105 Cb 0.00 -2.06 -0.03 0.00 -1.78 0.00 0.00 34.13 30.26 3iah s GLU 105 CO 0.00 0.40 1.21 0.42 -0.49 0.00 0.00 175.26 176.80 3iah s ILE 106 N -0.24 4.22 0.00 -1.63 -1.09 -1.26 -4.87 121.20 116.33 3iah s ILE 106 Ca -0.01 1.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 3iah s ILE 106 Cb -0.13 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 3iah s ILE 106 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 3iah n GLY 107 N 3.38 1.39 0.00 6.18 0.00 -0.66 -5.06 105.19 110.42 3iah n GLY 107 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3iah n GLY 107 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iah n PRO 108 N -0.47 0.94 0.00 1.61 -0.02 -1.26 -4.23 135.00 131.57 3iah n PRO 108 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3iah n PRO 108 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3iah n PRO 108 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3iah n SER 110 N 0.00 0.00 -0.00 2.55 3.41 -1.26 -1.09 113.62 117.23 3iah n SER 110 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3iah n SER 110 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3iah n SER 110 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iah n GLU 111 N 0.00 2.61 -1.63 4.33 1.02 -1.26 -5.03 120.64 120.67 3iah n GLU 111 Ca 0.00 -0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.65 3iah n GLU 111 Cb 0.00 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 3iah n GLU 111 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3iah n GLN 112 N -1.32 1.66 -2.38 3.49 1.13 -0.25 -4.91 117.38 114.80 3iah n GLN 112 Ca 0.02 0.60 -0.43 0.00 -1.94 0.00 0.00 57.00 55.26 3iah n GLN 112 Cb 0.21 -2.31 -0.02 0.00 0.11 0.00 0.00 30.24 28.23 3iah n GLN 112 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iah s ASP 113 N 0.92 6.91 0.56 1.08 3.68 -1.26 -4.90 116.67 123.66 3iah s ASP 113 Ca 0.83 1.74 0.23 0.00 2.13 0.00 0.00 52.55 57.48 3iah s ASP 113 Cb -0.82 -2.54 1.57 0.00 -1.45 0.00 0.00 42.92 39.68 3iah s ASP 113 CO 0.43 -0.78 2.21 -0.65 0.13 0.00 0.00 175.17 176.51 3iah h PRO 114 N 8.36 0.00 -0.15 4.34 0.11 -1.99 -0.27 132.00 142.40 3iah h PRO 114 Ca -0.28 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.62 3iah h PRO 114 Cb 1.11 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3iah h PRO 114 CO 0.97 0.00 -0.72 0.37 -0.21 0.00 0.00 178.00 178.41 3iah h GLN 115 N 0.00 0.75 -0.57 1.05 5.75 -1.99 -1.96 115.11 118.13 3iah h GLN 115 Ca -0.00 -0.61 -0.11 0.00 -0.15 0.00 0.00 58.65 57.79 3iah h GLN 115 Cb 0.01 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3iah h GLN 115 CO 0.00 1.22 -0.06 0.82 -2.65 0.00 0.00 178.83 178.16 3iah h ILE 116 N 0.46 1.27 -0.15 2.39 2.04 -1.79 -0.42 117.51 121.30 3iah h ILE 116 Ca -0.05 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.64 3iah h ILE 116 Cb 1.36 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 3iah h ILE 116 CO 0.15 0.43 -0.08 -0.25 0.00 0.00 0.00 178.15 178.40 3iah h TRP 117 N 0.93 -0.19 -0.81 1.37 2.91 -1.01 -0.57 115.95 118.58 3iah h TRP 117 Ca 0.16 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 3iah h TRP 117 Cb 0.62 0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 29.34 3iah h TRP 117 CO 0.04 -0.13 0.50 1.96 -1.03 0.00 0.00 178.44 179.78 3iah h GLN 118 N -0.07 1.09 -0.53 2.65 4.20 -1.11 -2.83 115.11 118.51 3iah h GLN 118 Ca 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3iah h GLN 118 Cb 0.20 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3iah h GLN 118 CO -0.20 0.75 0.28 -0.44 -0.67 0.00 0.00 178.83 178.56 3iah h ASP 119 N 1.11 0.66 0.00 1.46 3.32 -0.33 0.82 116.42 123.47 3iah h ASP 119 Ca 0.29 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3iah h ASP 119 Cb -0.06 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3iah h ASP 119 CO -0.06 0.57 0.00 0.52 -1.72 0.00 0.00 179.24 178.55 3iah n VAL 120 N -4.62 0.04 0.00 -1.35 0.31 -0.29 -1.67 118.33 110.74 3iah n VAL 120 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3iah n VAL 120 Cb 0.09 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3iah n VAL 120 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3iah n GLN 122 N 0.56 0.00 0.00 5.55 -0.06 0.28 -1.22 117.38 122.50 3iah n GLN 122 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 3iah n GLN 122 Cb 0.05 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.13 3iah n GLN 122 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3iah h VAL 123 N 0.00 1.29 -0.02 1.69 2.07 -1.50 0.26 116.25 120.04 3iah h VAL 123 Ca 0.00 -1.31 -0.15 0.00 0.82 0.00 0.00 66.70 66.06 3iah h VAL 123 Cb 0.00 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3iah h VAL 123 CO 0.00 0.32 -0.68 0.78 0.02 0.00 0.00 177.57 178.01 3iah h ASN 124 N -0.67 0.11 0.00 0.57 4.21 -1.41 -3.22 115.58 115.17 3iah h ASN 124 Ca -0.01 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.43 3iah h ASN 124 Cb 0.58 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 3iah h ASN 124 CO 0.01 0.75 -0.18 0.52 -1.29 0.00 0.00 177.43 177.25 3iah n VAL 125 N -3.77 0.75 0.13 2.81 0.31 -1.26 -4.58 118.33 112.72 3iah n VAL 125 Ca -0.02 0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 3iah n VAL 125 Cb 0.66 -1.54 -0.08 0.00 -0.91 0.00 0.00 33.84 31.98 3iah n VAL 125 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3iah h ASN 126 N -0.18 -0.23 -0.16 4.52 2.35 -1.79 0.31 115.58 120.41 3iah h ASN 126 Ca 0.00 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 3iah h ASN 126 Cb 0.18 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3iah h ASN 126 CO 0.00 -0.08 -0.29 0.00 -1.65 0.00 0.00 177.43 175.41 3iah h ALA 127 N 0.43 0.91 -0.84 -0.83 0.00 -0.66 -2.68 119.26 115.59 3iah h ALA 127 Ca -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3iah h ALA 127 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3iah h ALA 127 CO 0.04 0.62 0.40 1.15 0.00 0.00 0.00 179.25 181.47 3iah h THR 128 N 0.55 1.26 0.00 0.00 2.02 -1.54 -0.54 112.91 114.66 3iah h THR 128 Ca 0.07 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3iah h THR 128 Cb 0.78 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3iah h THR 128 CO 0.06 0.31 0.00 0.33 0.37 0.00 0.00 175.52 176.60 3iah n PHE 129 N -4.30 0.00 0.00 3.16 7.35 0.09 -1.68 117.46 122.08 3iah n PHE 129 Ca 0.08 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 3iah n PHE 129 Cb 0.14 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.93 3iah n PHE 129 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3iah n LEU 131 N 0.46 0.00 -0.01 -2.13 7.94 -0.21 -0.97 117.00 122.08 3iah n LEU 131 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3iah n LEU 131 Cb 0.07 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.00 3iah n LEU 131 CO 0.00 0.00 0.72 0.74 -1.11 0.00 0.00 177.39 177.74 3iah h THR 132 N 0.00 0.48 -0.61 1.96 2.02 -1.56 -0.64 112.91 114.56 3iah h THR 132 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3iah h THR 132 Cb 0.00 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.83 3iah h THR 132 CO 0.00 0.00 0.27 -0.61 0.37 0.00 0.00 175.52 175.55 3iah h GLN 133 N -0.26 0.48 -0.36 6.66 4.15 -1.33 -0.96 115.11 123.50 3iah h GLN 133 Ca 0.10 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3iah h GLN 133 Cb 0.41 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3iah h GLN 133 CO -0.29 0.32 0.07 0.00 -1.93 0.00 0.00 178.83 176.99 3iah h ALA 134 N 1.38 1.46 -0.00 3.38 0.00 -1.67 -3.08 119.26 120.73 3iah h ALA 134 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iah h ALA 134 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iah h ALA 134 CO -0.25 0.39 -0.44 1.28 0.00 0.00 0.00 179.25 180.23 3iah n LEU 135 N -4.33 0.51 -0.17 0.00 4.77 -0.30 -4.41 117.00 113.07 3iah n LEU 135 Ca 0.02 0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 3iah n LEU 135 Cb 0.19 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 3iah n LEU 135 CO 0.38 0.12 1.00 -0.07 -1.33 0.00 0.00 177.39 177.49 3iah h LEU 136 N 0.11 0.30 -0.56 2.23 3.38 -1.12 -1.44 115.31 118.21 3iah h LEU 136 Ca 0.00 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3iah h LEU 136 Cb 0.50 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3iah h LEU 136 CO 0.00 0.20 0.24 -0.65 0.09 0.00 0.00 178.44 178.33 3iah h PRO 137 N 0.45 0.44 -0.77 1.13 0.11 -1.80 -0.24 132.00 131.33 3iah h PRO 137 Ca 0.25 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 3iah h PRO 137 Cb 0.21 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 3iah h PRO 137 CO -0.21 0.29 0.37 -0.07 -0.21 0.00 0.00 178.00 178.17 3iah h LEU 138 N 0.45 1.00 -1.05 2.35 3.38 -1.77 -2.86 115.31 116.81 3iah h LEU 138 Ca 0.27 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3iah h LEU 138 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3iah h LEU 138 CO -0.24 0.85 0.20 -0.07 0.09 0.00 0.00 178.44 179.27 3iah h LEU 139 N 1.08 0.81 0.00 1.67 3.38 -0.44 -1.67 115.31 120.14 3iah h LEU 139 Ca 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3iah h LEU 139 Cb 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3iah h LEU 139 CO -0.03 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.43 3iah n LEU 140 N -4.30 0.00 0.03 1.67 4.32 -0.18 -2.34 117.00 116.20 3iah n LEU 140 Ca 0.05 0.40 0.12 0.00 -0.02 0.00 0.00 56.01 56.56 3iah n LEU 140 Cb 0.19 -0.40 0.30 0.00 -1.62 0.00 0.00 43.42 41.90 3iah n LEU 140 CO 0.39 -0.13 0.55 0.29 -1.22 0.00 0.00 177.39 177.27 3iah n LYS 141 N -1.40 0.13 -2.36 3.23 5.02 -0.87 -4.87 118.16 117.04 3iah n LYS 141 Ca 0.07 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.08 3iah n LYS 141 Cb 0.19 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 3iah n LYS 141 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3iah s SER 142 N -3.59 6.14 0.38 4.39 0.15 -0.99 -4.93 113.70 115.24 3iah s SER 142 Ca 0.10 1.90 0.16 0.00 0.70 0.00 0.00 55.95 58.81 3iah s SER 142 Cb 0.16 -2.55 0.74 0.00 -1.71 0.00 0.00 66.02 62.66 3iah s SER 142 CO 0.67 -0.92 1.79 -2.24 1.20 0.00 0.00 173.24 173.74 3iah h ASP 143 N 1.16 0.00 -0.81 5.45 2.03 -1.89 -3.39 116.42 118.97 3iah h ASP 143 Ca -0.49 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 55.66 3iah h ASP 143 Cb 1.22 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.56 3iah h ASP 143 CO 0.58 0.38 -0.47 0.00 -1.03 0.00 0.00 179.24 178.71 3iah n ALA 144 N -2.38 -1.93 -1.76 4.15 0.00 -1.26 -4.85 120.51 112.48 3iah n ALA 144 Ca -0.01 -1.02 -0.35 0.00 0.00 0.00 0.00 53.44 52.06 3iah n ALA 144 Cb 0.45 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3iah n ALA 144 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iah s GLY 145 N 0.50 2.58 -0.15 0.00 0.00 -0.91 -4.91 107.32 104.43 3iah s GLY 145 Ca 0.30 0.77 -0.00 0.00 0.00 0.00 0.00 44.72 45.79 3iah s GLY 145 CO -0.08 1.12 -0.07 -0.45 0.00 0.00 0.00 173.10 173.62 3iah s SER 146 N -1.87 2.64 -0.20 1.64 0.15 -0.34 -1.28 113.70 114.44 3iah s SER 146 Ca 0.72 -0.54 -0.06 0.00 0.70 0.00 0.00 55.95 56.77 3iah s SER 146 Cb -0.23 -0.93 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 3iah s SER 146 CO 0.27 -0.15 0.01 -0.22 1.20 0.00 0.00 173.24 174.36 3iah s LEU 147 N 1.63 3.34 -0.09 3.45 2.96 -0.07 -1.38 118.68 128.53 3iah s LEU 147 Ca 0.02 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3iah s LEU 147 Cb -0.14 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.71 3iah s LEU 147 CO -0.08 0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 3iah s VAL 148 N 0.98 1.25 0.26 1.68 1.01 0.19 -1.65 120.40 124.12 3iah s VAL 148 Ca 0.02 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3iah s VAL 148 Cb -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3iah s VAL 148 CO 0.02 0.39 0.34 -0.36 0.00 0.00 0.00 175.10 175.49 3iah s PHE 149 N 1.00 3.32 -0.20 5.22 0.08 -0.38 -0.02 117.98 127.00 3iah s PHE 149 Ca -0.08 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 3iah s PHE 149 Cb -0.15 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 3iah s PHE 149 CO -0.01 0.38 -0.11 0.99 -0.10 0.00 0.00 175.22 176.37 3iah s THR 150 N -2.05 2.82 0.00 0.64 2.01 -1.06 -1.17 115.64 116.83 3iah s THR 150 Ca 0.36 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3iah s THR 150 Cb -0.09 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.18 3iah s THR 150 CO 0.28 0.48 0.00 -0.24 -0.69 0.00 0.00 174.62 174.45 3iah n SER 151 N 4.60 0.10 -3.64 3.53 2.88 -0.10 -4.94 113.62 116.05 3iah n SER 151 Ca -0.19 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.28 3iah n SER 151 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 3iah n SER 151 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3iah s SER 152 N -0.64 -0.29 0.37 -3.46 0.15 -1.26 -4.57 113.70 104.00 3iah s SER 152 Ca 0.00 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.45 3iah s SER 152 Cb 0.00 0.48 0.72 0.00 -1.71 0.00 0.00 66.02 65.52 3iah s SER 152 CO 0.00 -0.85 2.02 0.77 1.20 0.00 0.00 173.24 176.38 3iah h SER 153 N 2.00 0.64 0.00 5.45 4.64 -1.95 -0.50 113.55 123.83 3iah h SER 153 Ca -0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3iah h SER 153 Cb 1.24 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3iah h SER 153 CO 0.28 0.45 0.00 1.33 -0.87 0.00 0.00 176.83 178.03 3iah n VAL 154 N -4.46 0.00 1.05 0.95 0.24 -1.26 -1.99 118.33 112.86 3iah n VAL 154 Ca 0.06 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 3iah n VAL 154 Cb 0.08 -0.47 0.16 0.00 -1.47 0.00 0.00 33.84 32.14 3iah n VAL 154 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iah n GLY 155 N 0.54 -0.95 0.06 7.63 0.00 -0.20 -4.12 105.19 108.16 3iah n GLY 155 Ca 0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 3iah n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iah n ARG 156 N -1.20 1.49 -3.62 1.61 3.00 -0.84 -4.09 116.66 113.01 3iah n ARG 156 Ca 0.07 0.03 -0.17 0.00 -0.01 0.00 0.00 57.85 57.76 3iah n ARG 156 Cb 0.35 -1.30 -0.15 0.00 0.00 0.00 0.00 32.46 31.37 3iah n ARG 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3iah s GLN 157 N -2.29 0.09 0.31 5.56 2.00 -1.01 -5.14 119.66 119.19 3iah s GLN 157 Ca -0.11 0.45 -0.29 0.00 -2.00 0.00 0.00 55.36 53.41 3iah s GLN 157 Cb 0.04 -0.59 -0.10 0.00 0.80 0.00 0.00 33.01 33.16 3iah s GLN 157 CO 0.43 -0.42 1.20 0.20 -0.50 0.00 0.00 175.29 176.20 3iah s GLY 158 N 2.31 3.03 0.12 2.59 0.00 -1.26 -4.17 107.32 109.93 3iah s GLY 158 Ca 0.04 1.08 0.06 0.00 0.00 0.00 0.00 44.72 45.89 3iah s GLY 158 CO -0.08 1.70 -0.14 0.50 0.00 0.00 0.00 173.10 175.08 3iah s ARG 159 N -1.63 1.01 0.35 2.90 0.52 -1.26 -5.09 118.95 115.74 3iah s ARG 159 Ca 0.47 -1.21 -0.26 0.00 -0.52 0.00 0.00 55.73 54.21 3iah s ARG 159 Cb -0.36 -0.92 -0.13 0.00 0.52 0.00 0.00 34.95 34.07 3iah s ARG 159 CO 0.47 0.18 1.01 0.00 0.02 0.00 0.00 175.30 176.98 3iah n ALA 160 N 0.63 0.00 -0.71 2.13 0.00 -1.26 -2.71 120.51 118.60 3iah n ALA 160 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3iah n ALA 160 Cb 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3iah n ALA 160 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iah n ASN 161 N 0.92 0.00 -0.33 0.00 3.02 -1.26 -4.86 115.26 112.74 3iah n ASN 161 Ca 0.09 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.77 3iah n ASN 161 Cb 0.35 -0.53 0.40 0.00 -0.61 0.00 0.00 39.78 39.39 3iah n ASN 161 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3iah n TRP 162 N -2.00 0.00 0.00 3.10 7.02 -1.10 -1.66 117.44 122.80 3iah n TRP 162 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3iah n TRP 162 Cb 0.00 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 3iah n TRP 162 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3iah n GLY 163 N 1.30 0.00 0.34 6.99 0.00 -1.26 -1.24 105.19 111.32 3iah n GLY 163 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 3iah n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iah h ALA 164 N 0.00 1.26 0.06 4.61 0.00 -1.91 -2.20 119.26 121.08 3iah h ALA 164 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iah h ALA 164 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3iah h ALA 164 CO 0.00 0.38 -0.03 -0.92 0.00 0.00 0.00 179.25 178.68 3iah h TYR 165 N 1.09 -0.08 -0.56 0.00 3.20 -1.59 0.20 116.97 119.23 3iah h TYR 165 Ca 0.39 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 3iah h TYR 165 Cb 0.13 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3iah h TYR 165 CO -0.02 0.03 0.36 0.00 -1.64 0.00 0.00 178.16 176.90 3iah h ALA 166 N 0.76 0.71 -0.83 1.82 0.00 -1.04 -0.78 119.26 119.91 3iah h ALA 166 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3iah h ALA 166 Cb 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3iah h ALA 166 CO 0.01 0.16 0.52 1.15 0.00 0.00 0.00 179.25 181.10 3iah h THR 167 N 0.76 1.11 -0.04 0.00 2.02 -1.09 -1.22 112.91 114.44 3iah h THR 167 Ca 0.20 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3iah h THR 167 Cb -0.07 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 3iah h THR 167 CO -0.04 0.18 -0.45 0.77 0.37 0.00 0.00 175.52 176.35 3iah h SER 168 N 1.01 0.10 0.55 4.18 4.64 -0.05 -1.87 113.55 122.11 3iah h SER 168 Ca 0.34 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.39 3iah h SER 168 Cb 0.04 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3iah h SER 168 CO -0.13 0.54 -0.98 0.11 -0.87 0.00 0.00 176.83 175.50 3iah h LYS 169 N 0.08 0.26 -0.28 4.77 1.79 -0.58 -0.65 116.57 121.96 3iah h LYS 169 Ca 0.00 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3iah h LYS 169 Cb 0.83 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 3iah h LYS 169 CO 0.06 1.06 0.16 0.74 -1.08 0.00 0.00 179.45 180.39 3iah h PHE 170 N 0.13 0.37 -0.71 -1.35 -1.00 -1.08 -2.07 116.94 111.23 3iah h PHE 170 Ca -0.07 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.78 3iah h PHE 170 Cb 1.64 -0.12 -0.07 0.00 3.61 0.00 0.00 35.95 41.02 3iah h PHE 170 CO 0.04 0.30 0.38 0.00 -1.61 0.00 0.00 178.31 177.42 3iah h ALA 171 N 1.04 0.98 -0.15 2.45 0.00 -1.21 -1.43 119.26 120.93 3iah h ALA 171 Ca 0.10 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3iah h ALA 171 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3iah h ALA 171 CO -0.02 0.01 -0.07 1.15 0.00 0.00 0.00 179.25 180.31 3iah h THR 172 N 0.66 0.76 -0.61 0.00 2.02 -0.86 -2.31 112.91 112.57 3iah h THR 172 Ca 0.34 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.56 3iah h THR 172 Cb 0.30 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3iah h THR 172 CO -0.24 0.00 0.34 -0.33 0.37 0.00 0.00 175.52 175.67 3iah h GLU 173 N -0.06 0.64 -5.00 6.66 4.39 -0.78 -3.42 114.58 117.01 3iah h GLU 173 Ca 0.09 -0.04 -0.49 0.00 0.34 0.00 0.00 59.36 59.26 3iah h GLU 173 Cb 0.19 -0.14 0.12 0.00 -0.10 0.00 0.00 28.75 28.81 3iah h GLU 173 CO -0.19 0.42 1.17 0.41 -1.16 0.00 0.00 179.01 179.66 3iah n GLY 174 N -1.27 0.43 4.19 -3.84 0.00 -0.59 -4.68 105.19 99.43 3iah n GLY 174 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3iah n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iah n GLN 177 N 7.99 0.00 0.17 1.61 6.02 -1.26 -4.66 117.38 127.24 3iah n GLN 177 Ca 0.46 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.31 3iah n GLN 177 Cb 0.43 -0.08 -0.08 0.00 1.02 0.00 0.00 30.24 31.54 3iah n GLN 177 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3iah h VAL 178 N 0.00 0.71 -0.68 5.09 2.07 -1.96 -1.80 116.25 119.68 3iah h VAL 178 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3iah h VAL 178 Cb 0.00 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3iah h VAL 178 CO 0.00 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.92 3iah h LEU 179 N -0.37 0.64 -0.68 2.57 3.38 -1.97 -1.04 115.31 117.85 3iah h LEU 179 Ca -0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iah h LEU 179 Cb 0.29 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3iah h LEU 179 CO 0.04 0.43 0.45 0.00 0.09 0.00 0.00 178.44 179.45 3iah h ALA 180 N 1.32 0.87 -0.49 1.53 0.00 -1.81 -1.63 119.26 119.04 3iah h ALA 180 Ca 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3iah h ALA 180 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iah h ALA 180 CO -0.14 0.27 0.05 0.22 0.00 0.00 0.00 179.25 179.66 3iah h ASP 181 N 0.91 0.79 0.05 0.00 3.58 -0.93 -1.25 116.42 119.57 3iah h ASP 181 Ca 0.25 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 3iah h ASP 181 Cb -0.09 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 3iah h ASP 181 CO -0.06 0.87 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.66 3iah h GLU 182 N 0.69 0.26 -0.48 0.28 5.08 -0.75 -3.19 114.58 116.45 3iah h GLU 182 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3iah h GLU 182 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3iah h GLU 182 CO 0.01 0.44 0.00 0.66 -1.00 0.00 0.00 179.01 179.12 3iah n TYR 183 N -4.22 0.74 0.25 4.33 4.01 -0.65 -4.65 117.16 116.96 3iah n TYR 183 Ca -0.01 -0.53 0.08 0.00 -0.16 0.00 0.00 57.90 57.28 3iah n TYR 183 Cb 0.31 -0.06 0.62 0.00 -0.31 0.00 0.00 39.34 39.90 3iah n TYR 183 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 3iah h GLN 184 N 2.87 0.00 -0.60 -0.72 3.07 -1.22 -1.03 115.11 117.47 3iah h GLN 184 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3iah h GLN 184 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.48 3iah h GLN 184 CO 0.03 0.09 0.00 0.09 0.09 0.00 0.00 178.83 179.14 3iah n ASN 185 N -4.28 3.34 -3.74 0.06 3.02 -1.26 -4.93 115.26 107.46 3iah n ASN 185 Ca -0.03 -2.07 -0.21 0.00 -0.03 0.00 0.00 54.58 52.24 3iah n ASN 185 Cb 0.17 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 3iah n ASN 185 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3iah n ARG 186 N 1.17 1.19 0.00 3.52 1.74 -0.39 -5.05 116.66 118.84 3iah n ARG 186 Ca 0.20 -2.39 0.11 0.00 -0.77 0.00 0.00 57.85 55.00 3iah n ARG 186 Cb 0.55 0.61 0.52 0.00 -1.02 0.00 0.00 32.46 33.12 3iah n ARG 186 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3iah n SER 187 N -1.24 0.00 -4.74 0.55 3.41 -1.26 -4.83 113.62 105.51 3iah n SER 187 Ca -0.13 0.31 -0.36 0.00 -0.26 0.00 0.00 58.87 58.44 3iah n SER 187 Cb 0.42 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 3iah n SER 187 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3iah s LEU 188 N -2.85 4.24 0.03 1.04 2.96 -1.26 -2.14 118.68 120.69 3iah s LEU 188 Ca 0.15 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 3iah s LEU 188 Cb 0.15 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3iah s LEU 188 CO 0.39 0.16 0.03 0.00 -1.32 0.00 0.00 176.35 175.61 3iah s ARG 189 N 0.31 2.81 -0.05 1.98 1.70 -0.40 -4.57 118.95 120.72 3iah s ARG 189 Ca 0.13 -0.64 -0.00 0.00 -0.47 0.00 0.00 55.73 54.74 3iah s ARG 189 Cb -0.12 -2.69 0.03 0.00 -0.57 0.00 0.00 34.95 31.59 3iah s ARG 189 CO 0.01 0.61 -0.01 0.08 -1.08 0.00 0.00 175.30 174.91 3iah s VAL 190 N -1.19 0.35 0.25 4.99 1.01 -1.26 -0.89 120.40 123.66 3iah s VAL 190 Ca 0.23 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 3iah s VAL 190 Cb -0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3iah s VAL 190 CO 0.14 0.22 0.36 0.20 0.00 0.00 0.00 175.10 176.02 3iah s ASN 191 N 1.46 0.16 0.13 3.32 0.01 -0.66 0.29 114.94 119.66 3iah s ASN 191 Ca -0.03 -1.18 0.11 0.00 -0.71 0.00 0.00 52.86 51.05 3iah s ASN 191 Cb -0.13 0.53 -0.04 0.00 0.41 0.00 0.00 41.25 42.02 3iah s ASN 191 CO -0.03 -1.06 -0.27 0.00 -1.51 0.00 0.00 177.10 174.23 3iah s ILE 193 N -1.08 1.90 -0.40 0.00 1.01 -0.32 -0.61 121.20 121.72 3iah s ILE 193 Ca 0.14 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 3iah s ILE 193 Cb -0.10 -1.63 0.07 0.00 0.01 0.00 0.00 42.46 40.81 3iah s ILE 193 CO 0.06 0.53 0.23 0.21 0.00 0.00 0.00 174.94 175.97 3iah s ASN 194 N 0.07 5.58 0.52 3.58 2.47 0.10 -0.92 114.94 126.34 3iah s ASN 194 Ca -0.09 -1.41 0.29 0.00 0.42 0.00 0.00 52.86 52.07 3iah s ASN 194 Cb -0.15 -1.96 1.44 0.00 -1.45 0.00 0.00 41.25 39.13 3iah s ASN 194 CO 0.05 -0.49 2.05 1.55 -3.72 0.00 0.00 177.10 176.54 3iah h PRO 195 N 8.36 0.00 0.00 0.43 0.13 -1.85 -1.24 132.00 137.84 3iah h PRO 195 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3iah h PRO 195 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3iah h PRO 195 CO 0.72 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 3iah n GLY 196 N -0.49 -1.35 3.62 1.56 0.00 -1.26 -4.12 105.19 103.14 3iah n GLY 196 Ca -0.01 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 3iah n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iah n GLY 197 N -1.48 1.32 3.11 -0.02 0.00 -1.26 -4.95 105.19 101.90 3iah n GLY 197 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 46.02 46.63 3iah n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iah s THR 198 N 6.65 0.99 -0.83 2.61 2.01 -1.26 -4.23 115.64 121.58 3iah s THR 198 Ca 0.97 -0.80 -0.25 0.00 0.31 0.00 0.00 61.69 61.91 3iah s THR 198 Cb -0.43 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.14 3iah s THR 198 CO 0.40 0.08 2.04 -0.60 -0.69 0.00 0.00 174.62 175.85 3iah s ARG 199 N -0.83 2.36 0.24 4.92 3.52 -0.47 -4.62 118.95 124.07 3iah s ARG 199 Ca 0.02 0.03 -0.03 0.00 -0.13 0.00 0.00 55.73 55.62 3iah s ARG 199 Cb -0.07 -4.91 -0.03 0.00 -1.56 0.00 0.00 34.95 28.39 3iah s ARG 199 CO 0.01 -3.50 0.24 0.95 -0.81 0.00 0.00 175.30 172.19 3iah s THR 200 N 10.95 0.00 0.00 4.11 -4.23 -1.26 -4.54 115.64 120.67 3iah s THR 200 Ca 0.75 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3iah s THR 200 Cb -0.09 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3iah s THR 200 CO 0.04 0.00 0.77 -1.54 -0.54 0.00 0.00 174.62 173.36 3iah n SER 201 N -0.52 2.15 0.00 3.99 3.41 -1.26 -2.17 113.62 119.22 3iah n SER 201 Ca 0.02 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3iah n SER 201 Cb 0.64 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3iah n SER 201 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3iah n ARG 203 N 1.24 0.00 -0.03 4.33 3.00 -1.26 -1.21 116.66 122.73 3iah n ARG 203 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 3iah n ARG 203 Cb 0.26 0.00 0.28 0.00 0.00 0.00 0.00 32.46 32.99 3iah n ARG 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iah h ALA 204 N 0.00 1.34 -0.18 5.13 0.00 -1.71 -0.67 119.26 123.17 3iah h ALA 204 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3iah h ALA 204 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iah h ALA 204 CO 0.00 0.46 -0.48 0.77 0.00 0.00 0.00 179.25 180.00 3iah h SER 205 N 0.56 0.50 0.36 0.00 0.02 -1.45 -2.70 113.55 110.84 3iah h SER 205 Ca 0.12 -0.25 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 3iah h SER 205 Cb 0.32 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3iah h SER 205 CO 0.01 0.91 -0.68 0.00 -1.14 0.00 0.00 176.83 175.92 3iah h ALA 206 N 1.11 0.72 -2.56 3.77 0.00 -1.70 -3.38 119.26 117.22 3iah h ALA 206 Ca 0.02 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.74 3iah h ALA 206 Cb 0.98 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 3iah h ALA 206 CO 0.09 0.77 -0.83 1.19 0.00 0.00 0.00 179.25 180.47 3iah n PHE 207 N -3.83 0.81 0.33 0.00 3.72 -0.31 -4.99 117.46 113.19 3iah n PHE 207 Ca -0.03 -3.72 0.22 0.00 -0.05 0.00 0.00 57.45 53.87 3iah n PHE 207 Cb 0.67 -0.14 1.17 0.00 -0.94 0.00 0.00 39.48 40.24 3iah n PHE 207 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3iah h PRO 208 N 5.31 0.00 -0.02 -1.08 0.13 -1.67 -1.93 132.00 132.74 3iah h PRO 208 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3iah h PRO 208 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3iah h PRO 208 CO 0.52 0.00 -0.13 0.25 -0.23 0.00 0.00 178.00 178.41 3iah n THR 209 N -3.15 0.00 -2.46 1.56 -2.24 -1.26 -4.96 114.28 101.77 3iah n THR 209 Ca -0.03 -0.41 -0.39 0.00 -2.27 0.00 0.00 64.05 60.95 3iah n THR 209 Cb 0.09 1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 3iah n THR 209 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3iah s GLU 210 N -2.14 4.48 -0.49 -0.78 2.12 -0.73 -4.99 118.70 116.17 3iah s GLU 210 Ca 0.26 1.76 -0.25 0.00 0.36 0.00 0.00 54.97 57.09 3iah s GLU 210 Cb 0.20 -3.00 0.03 0.00 0.26 0.00 0.00 34.13 31.61 3iah s GLU 210 CO 0.38 0.08 0.95 0.34 -0.54 0.00 0.00 175.26 176.47 3iah s ASP 211 N -1.04 6.46 0.59 -1.70 -1.08 -1.26 -4.92 116.67 113.71 3iah s ASP 211 Ca 0.48 0.01 0.34 0.00 -0.52 0.00 0.00 52.55 52.86 3iah s ASP 211 Cb -0.30 -2.46 1.83 0.00 -1.46 0.00 0.00 42.92 40.53 3iah s ASP 211 CO 0.38 -1.13 2.20 -0.65 0.52 0.00 0.00 175.17 176.49 3iah h PRO 212 N 9.17 0.00 0.00 4.34 0.11 -1.95 -1.76 132.00 141.91 3iah h PRO 212 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3iah h PRO 212 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3iah h PRO 212 CO 1.05 0.04 0.00 1.04 -0.21 0.00 0.00 178.00 179.93 3iah n GLN 213 N -3.44 0.16 0.00 1.05 1.13 -1.26 -1.61 117.38 113.40 3iah n GLN 213 Ca -0.02 0.45 0.14 0.00 -1.94 0.00 0.00 57.00 55.63 3iah n GLN 213 Cb 0.16 -1.84 0.62 0.00 0.11 0.00 0.00 30.24 29.28 3iah n GLN 213 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3iah n LYS 214 N -2.15 1.35 -4.03 -1.09 5.02 -0.66 -4.89 118.16 111.70 3iah n LYS 214 Ca 0.01 -0.64 -0.25 0.00 -2.02 0.00 0.00 58.31 55.42 3iah n LYS 214 Cb 0.18 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 3iah n LYS 214 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iah s LEU 215 N -2.09 4.04 0.53 -0.35 1.43 -0.63 -4.98 118.68 116.62 3iah s LEU 215 Ca 0.38 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.26 3iah s LEU 215 Cb 0.21 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 3iah s LEU 215 CO 0.37 0.02 1.04 -0.54 0.23 0.00 0.00 176.35 177.48 3iah s LYS 216 N -3.41 3.63 0.60 1.70 -0.14 -1.26 -4.75 119.74 116.11 3iah s LYS 216 Ca 0.33 1.28 -0.03 0.00 -1.36 0.00 0.00 55.97 56.19 3iah s LYS 216 Cb -0.10 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 34.01 3iah s LYS 216 CO 0.26 -0.56 0.87 0.95 -0.76 0.00 0.00 175.35 176.10 3iah s THR 217 N -2.19 2.88 0.37 2.17 -4.23 -1.26 -1.36 115.64 112.02 3iah s THR 217 Ca 0.65 -0.38 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 3iah s THR 217 Cb -0.16 -3.15 0.31 0.00 1.34 0.00 0.00 72.50 70.85 3iah s THR 217 CO 0.27 -0.13 1.93 -0.65 -0.54 0.00 0.00 174.62 175.50 3iah h PRO 218 N -0.17 0.65 -0.70 3.99 0.11 -1.93 -1.79 132.00 132.16 3iah h PRO 218 Ca -0.44 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3iah h PRO 218 Cb 1.29 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3iah h PRO 218 CO 0.57 0.43 0.44 0.00 -0.21 0.00 0.00 178.00 179.23 3iah h ALA 219 N 1.62 0.92 0.00 -0.75 0.00 -1.95 -2.72 119.26 116.37 3iah h ALA 219 Ca 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3iah h ALA 219 Cb 0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iah h ALA 219 CO -0.13 0.20 -0.07 -0.44 0.00 0.00 0.00 179.25 178.81 3iah h ASP 220 N 0.85 0.00 -3.33 0.00 3.32 -1.69 -3.43 116.42 112.13 3iah h ASP 220 Ca 0.28 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.55 3iah h ASP 220 Cb 0.03 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.33 3iah h ASP 220 CO -0.11 0.07 0.56 0.27 -1.72 0.00 0.00 179.24 178.31 3iah s ILE 221 N -4.66 5.73 0.00 0.35 -4.36 -1.03 -4.99 121.20 112.25 3iah s ILE 221 Ca -0.04 -3.07 0.00 0.00 -0.26 0.00 0.00 60.65 57.28 3iah s ILE 221 Cb 0.15 -4.64 0.00 0.00 1.25 0.00 0.00 42.46 39.22 3iah s ILE 221 CO 0.63 -1.25 0.00 -2.65 0.24 0.00 0.00 174.94 171.91 3iah n PRO 223 N 3.55 0.00 -0.08 0.37 -0.02 -1.26 -4.17 135.00 133.38 3iah n PRO 223 Ca 0.24 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.65 3iah n PRO 223 Cb 0.41 -0.09 0.10 0.00 -0.02 0.00 0.00 33.50 33.90 3iah n PRO 223 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iah h LEU 224 N 0.00 0.77 -0.65 2.45 5.85 -1.94 -1.36 115.31 120.44 3iah h LEU 224 Ca 0.00 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3iah h LEU 224 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3iah h LEU 224 CO 0.00 0.97 0.37 1.88 -0.34 0.00 0.00 178.44 181.32 3iah h TYR 225 N 0.67 0.88 -0.15 1.25 0.05 -2.01 -1.68 116.97 115.98 3iah h TYR 225 Ca 0.09 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3iah h TYR 225 Cb 0.72 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 3iah h TYR 225 CO 0.04 0.62 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.63 3iah h LEU 226 N 0.88 0.31 -0.51 3.88 3.38 -1.90 -3.26 115.31 118.09 3iah h LEU 226 Ca 0.23 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3iah h LEU 226 Cb 0.02 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3iah h LEU 226 CO -0.04 0.64 0.06 -0.25 0.09 0.00 0.00 178.44 178.95 3iah h TRP 227 N -0.03 0.08 0.00 1.13 7.01 -1.06 -1.49 115.95 121.60 3iah h TRP 227 Ca 0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.07 3iah h TRP 227 Cb 0.52 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 3iah h TRP 227 CO 0.06 -0.06 0.00 1.28 -2.79 0.00 0.00 178.44 176.93 3iah n LEU 228 N -5.17 0.68 0.00 0.65 4.77 -0.65 -3.93 117.00 113.35 3iah n LEU 228 Ca 0.06 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3iah n LEU 228 Cb 0.27 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3iah n LEU 228 CO 0.18 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3iah n GLY 230 N 0.77 0.00 0.21 -0.72 0.00 -0.56 -4.86 105.19 100.03 3iah n GLY 230 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3iah n GLY 230 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3iah h ASP 231 N 0.00 0.00 0.75 1.61 3.32 -1.87 -3.05 116.42 117.18 3iah h ASP 231 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iah h ASP 231 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3iah h ASP 231 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 3iah n ASP 232 N -2.53 0.64 -0.79 6.45 8.00 -1.26 -2.68 116.55 124.37 3iah n ASP 232 Ca -0.01 0.65 0.07 0.00 0.71 0.00 0.00 54.79 56.21 3iah n ASP 232 Cb 0.09 -0.79 0.20 0.00 -0.02 0.00 0.00 41.12 40.60 3iah n ASP 232 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iah n SER 233 N -2.20 3.36 0.23 -2.24 3.41 -1.15 -4.77 113.62 110.26 3iah n SER 233 Ca 0.02 -2.33 0.18 0.00 -0.26 0.00 0.00 58.87 56.48 3iah n SER 233 Cb 0.24 -0.35 0.86 0.00 -0.26 0.00 0.00 64.21 64.70 3iah n SER 233 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3iah h ARG 234 N 2.14 0.00 -0.60 4.33 3.08 -1.69 -2.06 114.38 119.58 3iah h ARG 234 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iah h ARG 234 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3iah h ARG 234 CO 0.08 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.52 3iah n ARG 235 N -3.65 3.80 -4.33 0.04 1.74 -1.26 -4.90 116.66 108.09 3iah n ARG 235 Ca 0.01 -2.89 -0.34 0.00 -0.77 0.00 0.00 57.85 53.86 3iah n ARG 235 Cb 0.31 -1.91 -0.13 0.00 -1.02 0.00 0.00 32.46 29.71 3iah n ARG 235 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iah s LYS 236 N -2.00 3.50 -0.01 5.56 -0.14 -0.78 -5.10 119.74 120.78 3iah s LYS 236 Ca 0.50 -0.60 -0.20 0.00 -1.36 0.00 0.00 55.97 54.31 3iah s LYS 236 Cb 0.33 -2.88 0.04 0.00 -1.68 0.00 0.00 37.83 33.64 3iah s LYS 236 CO 0.22 0.08 0.43 -0.08 -0.76 0.00 0.00 175.35 175.24 3iah s THR 237 N 0.75 0.04 -0.27 2.17 -1.32 -1.26 -4.59 115.64 111.16 3iah s THR 237 Ca -0.03 -0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.09 3iah s THR 237 Cb -0.15 -0.79 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 3iah s THR 237 CO 0.02 -0.20 0.23 0.61 -2.21 0.00 0.00 174.62 173.07 3iah n GLY 238 N 0.99 0.35 3.54 6.08 0.00 0.15 -4.96 105.19 111.34 3iah n GLY 238 Ca -0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 3iah n GLY 238 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iah s THR 240 N -3.09 -0.94 -0.03 2.61 -1.32 -1.26 -4.88 115.64 106.73 3iah s THR 240 Ca 0.07 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 3iah s THR 240 Cb -0.01 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 3iah s THR 240 CO 0.18 0.01 0.01 -0.36 -2.21 0.00 0.00 174.62 172.25 3iah s PHE 241 N 2.84 3.11 -0.22 9.09 0.08 0.22 -4.97 117.98 128.14 3iah s PHE 241 Ca -0.03 0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.05 3iah s PHE 241 Cb -0.12 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 3iah s PHE 241 CO -0.18 0.47 0.13 -0.51 -0.10 0.00 0.00 175.22 175.03 3iah s ASP 242 N -1.36 5.99 0.33 1.36 -0.00 -1.26 0.03 116.67 121.75 3iah s ASP 242 Ca 0.18 0.11 0.16 0.00 -0.00 0.00 0.00 52.55 53.00 3iah s ASP 242 Cb -0.11 -2.07 0.52 0.00 -0.00 0.00 0.00 42.92 41.26 3iah s ASP 242 CO 0.08 0.11 1.67 0.00 -0.00 0.00 0.00 175.17 177.03 3iah h ALA 243 N 7.21 0.96 -2.22 5.23 0.00 -1.43 -3.34 119.26 125.67 3iah h ALA 243 Ca -0.38 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.50 3iah h ALA 243 Cb 1.17 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.47 3iah h ALA 243 CO 0.68 0.59 -0.70 1.04 0.00 0.00 0.00 179.25 180.87 3iah n GLN 244 N -3.61 2.07 0.27 0.00 6.02 -1.26 -4.95 117.38 115.92 3iah n GLN 244 Ca -0.00 -4.34 0.11 0.00 -0.01 0.00 0.00 57.00 52.75 3iah n GLN 244 Cb 0.56 -2.04 0.72 0.00 1.02 0.00 0.00 30.24 30.50 3iah n GLN 244 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3iah h PRO 245 N 4.26 0.00 -0.76 -1.09 0.13 -1.96 -2.63 132.00 129.95 3iah h PRO 245 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3iah h PRO 245 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3iah h PRO 245 CO 0.74 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 3iah n GLY 246 N -1.20 2.19 3.31 1.56 0.00 -1.26 -4.87 105.19 104.91 3iah n GLY 246 Ca -0.03 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3iah n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iah s ARG 247 N -1.90 3.24 -0.05 1.61 3.52 -0.99 -5.09 118.95 119.29 3iah s ARG 247 Ca 0.28 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 3iah s ARG 247 Cb 0.21 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 3iah s ARG 247 CO 0.09 0.20 1.43 0.21 -0.81 0.00 0.00 175.30 176.42 3iah s LYS 248 N 0.35 4.25 0.38 5.12 2.20 -1.26 -4.96 119.74 125.81 3iah s LYS 248 Ca -0.14 1.94 -0.27 0.00 -0.36 0.00 0.00 55.97 57.14 3iah s LYS 248 Cb -0.17 -3.72 -0.11 0.00 -1.51 0.00 0.00 37.83 32.32 3iah s LYS 248 CO 0.07 -0.67 1.36 -2.30 -0.36 0.00 0.00 175.35 173.45 3iah n PRO 249 N 6.11 2.27 0.00 4.03 -0.02 -1.26 -4.82 135.00 141.31 3iah n PRO 249 Ca 0.14 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3iah n PRO 249 Cb 0.44 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3iah n PRO 249 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iah n GLY 250 N 0.66 0.64 3.76 -1.23 0.00 -1.26 -5.08 105.19 102.68 3iah n GLY 250 Ca 0.04 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 3iah n GLY 250 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iah s ILE 251 N -0.84 2.11 0.21 -0.61 2.07 -1.26 -4.93 121.20 117.95 3iah s ILE 251 Ca 0.00 0.09 -0.30 0.00 -1.41 0.00 0.00 60.65 59.03 3iah s ILE 251 Cb 0.00 -3.05 -0.09 0.00 0.13 0.00 0.00 42.46 39.45 3iah s ILE 251 CO 0.00 0.01 1.32 0.00 -1.91 0.00 0.00 174.94 174.35 3iah s ALA 252 N -1.26 3.53 -2.06 1.50 0.00 -1.26 -5.10 121.76 117.12 3iah s ALA 252 Ca 0.66 1.13 0.16 0.00 0.00 0.00 0.00 51.96 53.92 3iah s ALA 252 Cb -0.42 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.35 3iah s ALA 252 CO 0.52 -0.55 1.02 1.04 0.00 0.00 0.00 175.76 177.78