#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ih7 s LYS 2 N 0.00 4.26 0.61 0.03 1.02 -1.26 -4.35 119.74 120.05 1ih7 s LYS 2 Ca 0.00 1.83 -0.12 0.00 0.02 0.00 0.00 55.97 57.69 1ih7 s LYS 2 Cb 0.00 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1ih7 s LYS 2 CO 0.00 -0.64 1.03 -1.83 -0.92 0.00 0.00 175.35 172.99 1ih7 s GLU 3 N 3.00 3.54 0.02 1.68 -1.05 -1.26 -4.91 118.70 119.73 1ih7 s GLU 3 Ca 0.60 0.85 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 1ih7 s GLU 3 Cb -0.27 -2.07 -0.02 0.00 -0.44 0.00 0.00 34.13 31.33 1ih7 s GLU 3 CO 0.22 -0.61 -0.04 -0.59 0.95 0.00 0.00 175.26 175.19 1ih7 s PHE 4 N -3.02 0.32 0.65 4.83 -0.71 -1.00 -4.91 117.98 114.15 1ih7 s PHE 4 Ca 0.57 -0.48 -0.11 0.00 -1.04 0.00 0.00 56.93 55.87 1ih7 s PHE 4 Cb -0.12 -0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.46 1ih7 s PHE 4 CO 0.49 -0.15 1.04 1.52 -1.34 0.00 0.00 175.22 176.78 1ih7 s TYR 5 N -1.32 3.36 -0.05 3.49 1.13 -1.26 -0.73 117.35 121.97 1ih7 s TYR 5 Ca -0.13 1.36 -0.08 0.00 -1.41 0.00 0.00 57.07 56.80 1ih7 s TYR 5 Cb -0.09 -2.81 -0.03 0.00 -1.10 0.00 0.00 41.96 37.93 1ih7 s TYR 5 CO -0.01 -0.96 -0.17 1.28 -2.51 0.00 0.00 175.55 173.18 1ih7 n LEU 6 N -2.90 1.42 -3.90 -3.49 4.32 0.24 -4.78 117.00 107.91 1ih7 n LEU 6 Ca 0.07 0.22 -0.09 0.00 -0.02 0.00 0.00 56.01 56.19 1ih7 n LEU 6 Cb 0.54 -0.51 -0.09 0.00 -1.62 0.00 0.00 43.42 41.74 1ih7 n LEU 6 CO 0.56 -0.39 -0.16 0.42 -1.22 0.00 0.00 177.39 176.60 1ih7 s THR 7 N -2.41 0.14 -0.00 -5.08 -4.23 -0.68 -4.77 115.64 98.61 1ih7 s THR 7 Ca -0.15 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1ih7 s THR 7 Cb 0.03 -1.08 -0.00 0.00 1.34 0.00 0.00 72.50 72.78 1ih7 s THR 7 CO 0.21 -0.62 0.08 0.54 -0.54 0.00 0.00 174.62 174.29 1ih7 s VAL 8 N -3.07 0.07 0.02 2.29 0.11 -1.26 -0.98 120.40 117.58 1ih7 s VAL 8 Ca -0.01 -0.58 -0.16 0.00 -2.93 0.00 0.00 61.98 58.30 1ih7 s VAL 8 Cb 0.01 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1ih7 s VAL 8 CO -0.07 -0.32 0.35 -1.61 -3.33 0.00 0.00 175.10 170.13 1ih7 s GLU 9 N -1.04 0.81 -0.18 1.54 0.41 -0.16 -4.83 118.70 115.25 1ih7 s GLU 9 Ca -0.11 -0.35 -0.03 0.00 -0.41 0.00 0.00 54.97 54.07 1ih7 s GLU 9 Cb -0.07 0.36 -0.02 0.00 -1.78 0.00 0.00 34.13 32.63 1ih7 s GLU 9 CO 0.01 -0.26 -0.05 -1.14 -0.49 0.00 0.00 175.26 173.32 1ih7 s GLN 10 N -2.12 3.49 -0.30 1.61 0.74 -1.26 -0.41 119.66 121.40 1ih7 s GLN 10 Ca -0.08 -0.60 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 1ih7 s GLN 10 Cb -0.02 -2.91 0.10 0.00 1.10 0.00 0.00 33.01 31.28 1ih7 s GLN 10 CO -0.00 0.04 0.10 0.42 -0.55 0.00 0.00 175.29 175.29 1ih7 s ILE 11 N 0.88 0.74 0.00 -2.34 1.01 -0.51 -4.99 121.20 115.99 1ih7 s ILE 11 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1ih7 s ILE 11 Cb -0.15 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1ih7 s ILE 11 CO 0.01 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.91 1ih7 n GLY 12 N 4.91 2.43 1.14 6.18 0.00 -1.26 -2.58 105.19 116.01 1ih7 n GLY 12 Ca -0.03 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.72 1ih7 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ih7 n ASP 13 N 6.16 3.27 -4.05 1.61 8.00 -1.26 -4.74 116.55 125.53 1ih7 n ASP 13 Ca 0.00 -2.38 -0.10 0.00 0.71 0.00 0.00 54.79 53.02 1ih7 n ASP 13 Cb 0.00 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.47 1ih7 n ASP 13 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ih7 s SER 14 N -0.58 0.58 -0.25 -2.24 1.04 -1.07 -4.14 113.70 107.05 1ih7 s SER 14 Ca 0.30 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 1ih7 s SER 14 Cb 0.21 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 1ih7 s SER 14 CO 0.11 -0.36 0.20 -0.63 0.98 0.00 0.00 173.24 173.54 1ih7 s ILE 15 N -2.28 5.32 -0.29 -1.02 -1.09 0.12 -1.42 121.20 120.53 1ih7 s ILE 15 Ca -0.05 0.25 -0.13 0.00 -2.23 0.00 0.00 60.65 58.49 1ih7 s ILE 15 Cb -0.04 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1ih7 s ILE 15 CO -0.03 0.30 0.26 -0.36 -1.23 0.00 0.00 174.94 173.88 1ih7 s PHE 16 N 1.32 3.23 -0.03 3.97 0.08 0.45 -0.63 117.98 126.37 1ih7 s PHE 16 Ca 0.09 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.30 1ih7 s PHE 16 Cb -0.14 -2.47 -0.00 0.00 -0.57 0.00 0.00 43.02 39.84 1ih7 s PHE 16 CO 0.07 -0.23 -0.13 -2.00 -0.10 0.00 0.00 175.22 172.83 1ih7 s GLU 17 N 1.85 1.24 -0.12 0.44 2.12 -0.35 -0.99 118.70 122.91 1ih7 s GLU 17 Ca 0.09 -0.44 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 1ih7 s GLU 17 Cb -0.16 -1.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.06 1ih7 s GLU 17 CO 0.11 0.20 -0.02 1.03 -0.54 0.00 0.00 175.26 176.03 1ih7 s ARG 18 N 0.02 3.28 0.29 4.30 0.52 -0.16 -1.03 118.95 126.18 1ih7 s ARG 18 Ca -0.01 -0.47 -0.17 0.00 -0.52 0.00 0.00 55.73 54.55 1ih7 s ARG 18 Cb -0.09 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.57 1ih7 s ARG 18 CO 0.01 0.48 0.66 1.52 0.02 0.00 0.00 175.30 177.99 1ih7 s TYR 19 N -0.29 0.07 -0.31 -0.53 1.13 -0.15 0.80 117.35 118.07 1ih7 s TYR 19 Ca 0.05 -0.53 -0.11 0.00 -1.41 0.00 0.00 57.07 55.08 1ih7 s TYR 19 Cb -0.12 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.27 1ih7 s TYR 19 CO 0.02 -1.23 0.18 0.42 -2.51 0.00 0.00 175.55 172.43 1ih7 s ILE 20 N -3.63 4.88 0.84 -3.49 -1.09 0.09 -0.08 121.20 118.73 1ih7 s ILE 20 Ca 0.16 -0.24 -0.14 0.00 -2.23 0.00 0.00 60.65 58.19 1ih7 s ILE 20 Cb -0.04 -3.45 0.20 0.00 -1.58 0.00 0.00 42.46 37.59 1ih7 s ILE 20 CO 0.09 0.10 1.02 -0.90 -1.23 0.00 0.00 174.94 174.02 1ih7 n ASP 21 N 5.02 -0.43 -0.03 3.58 3.85 -0.32 -2.36 116.55 125.87 1ih7 n ASP 21 Ca -0.14 -1.30 0.19 0.00 -0.71 0.00 0.00 54.79 52.84 1ih7 n ASP 21 Cb 0.50 -0.82 0.65 0.00 -1.35 0.00 0.00 41.12 40.11 1ih7 n ASP 21 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1ih7 h SER 22 N -1.66 0.08 -0.44 -1.12 0.02 -1.89 0.24 113.55 108.77 1ih7 h SER 22 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1ih7 h SER 22 Cb 0.97 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1ih7 h SER 22 CO 0.24 0.04 0.00 0.59 -1.14 0.00 0.00 176.83 176.56 1ih7 n ASN 23 N -4.40 3.40 -0.75 3.07 3.02 -1.26 -2.54 115.26 115.81 1ih7 n ASN 23 Ca 0.10 -2.31 -0.10 0.00 -0.03 0.00 0.00 54.58 52.25 1ih7 n ASN 23 Cb 0.59 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 1ih7 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ih7 n GLY 24 N 0.86 1.09 3.86 7.41 0.00 0.07 -5.01 105.19 113.48 1ih7 n GLY 24 Ca 0.18 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1ih7 n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ih7 s ARG 25 N -2.65 3.35 0.05 1.61 3.52 -1.26 -4.81 118.95 118.76 1ih7 s ARG 25 Ca 0.00 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.02 1ih7 s ARG 25 Cb 0.00 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 1ih7 s ARG 25 CO 0.00 0.72 1.13 -2.00 -0.81 0.00 0.00 175.30 174.33 1ih7 s GLU 26 N -1.46 4.48 0.24 5.12 2.12 -1.26 -1.17 118.70 126.76 1ih7 s GLU 26 Ca 0.21 1.66 0.01 0.00 0.36 0.00 0.00 54.97 57.20 1ih7 s GLU 26 Cb -0.12 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1ih7 s GLU 26 CO 0.11 -0.17 0.14 1.03 -0.54 0.00 0.00 175.26 175.83 1ih7 s ARG 27 N 0.95 1.34 0.01 4.30 0.52 0.89 -4.96 118.95 122.00 1ih7 s ARG 27 Ca 0.56 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.07 1ih7 s ARG 27 Cb -0.27 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.30 1ih7 s ARG 27 CO 0.29 -0.40 -0.08 0.99 0.02 0.00 0.00 175.30 176.13 1ih7 s THR 28 N -3.94 0.58 0.04 0.02 2.01 -1.26 -0.98 115.64 112.11 1ih7 s THR 28 Ca 0.38 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1ih7 s THR 28 Cb 0.07 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1ih7 s THR 28 CO 0.14 0.00 0.24 0.00 -0.69 0.00 0.00 174.62 174.31 1ih7 s ARG 29 N -0.60 0.73 -0.21 4.92 1.70 -0.20 -5.00 118.95 120.30 1ih7 s ARG 29 Ca -0.01 -0.57 -0.02 0.00 -0.47 0.00 0.00 55.73 54.66 1ih7 s ARG 29 Cb -0.05 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 1ih7 s ARG 29 CO 0.00 -0.22 -0.09 -2.00 -1.08 0.00 0.00 175.30 171.91 1ih7 s GLU 30 N -2.52 3.25 -0.11 3.89 2.12 -1.26 -1.21 118.70 122.87 1ih7 s GLU 30 Ca -0.05 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.61 1ih7 s GLU 30 Cb -0.01 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 1ih7 s GLU 30 CO -0.03 -0.20 -0.18 0.08 -0.54 0.00 0.00 175.26 174.38 1ih7 s VAL 31 N 1.42 2.60 -1.28 3.70 1.01 0.20 -4.92 120.40 123.14 1ih7 s VAL 31 Ca 0.06 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1ih7 s VAL 31 Cb -0.14 -2.05 0.15 0.00 0.00 0.00 0.00 36.38 34.35 1ih7 s VAL 31 CO -0.06 0.54 1.77 -0.62 0.00 0.00 0.00 175.10 176.73 1ih7 n GLU 32 N 3.44 3.46 -1.70 2.72 1.02 -1.26 0.11 120.64 128.42 1ih7 n GLU 32 Ca -0.18 -3.54 -0.43 0.00 -0.02 0.00 0.00 57.16 52.99 1ih7 n GLU 32 Cb 0.53 -3.02 -0.03 0.00 -0.02 0.00 0.00 31.44 28.90 1ih7 n GLU 32 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1ih7 n TYR 33 N 4.80 2.55 -3.61 -0.32 9.36 -1.26 -4.98 117.16 123.70 1ih7 n TYR 33 Ca 0.40 0.24 -0.40 0.00 3.32 0.00 0.00 57.90 61.47 1ih7 n TYR 33 Cb 0.39 -2.57 -0.09 0.00 -0.63 0.00 0.00 39.34 36.44 1ih7 n TYR 33 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1ih7 s LYS 34 N 0.25 2.45 0.74 2.98 1.02 -1.26 -3.84 119.74 122.07 1ih7 s LYS 34 Ca 0.71 -1.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.67 1ih7 s LYS 34 Cb -0.57 -3.85 0.03 0.00 -0.52 0.00 0.00 37.83 32.92 1ih7 s LYS 34 CO 0.42 -1.17 1.07 -1.25 -0.92 0.00 0.00 175.35 173.51 1ih7 s PRO 35 N 1.05 2.58 -0.04 -1.68 0.04 -1.26 -4.74 135.00 130.96 1ih7 s PRO 35 Ca 0.08 1.00 0.05 0.00 0.04 0.00 0.00 61.00 62.18 1ih7 s PRO 35 Cb -0.24 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1ih7 s PRO 35 CO -0.02 -1.36 -0.19 -1.12 0.04 0.00 0.00 177.00 174.34 1ih7 s SER 36 N -3.65 2.39 0.43 6.66 0.01 -1.26 -1.23 113.70 117.05 1ih7 s SER 36 Ca 0.59 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.50 1ih7 s SER 36 Cb -0.15 -0.61 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 1ih7 s SER 36 CO 0.55 0.19 0.14 0.18 0.41 0.00 0.00 173.24 174.71 1ih7 n LEU 37 N 3.03 0.00 -4.03 2.44 4.77 -0.46 -4.59 117.00 118.15 1ih7 n LEU 37 Ca -0.18 -3.24 -0.10 0.00 -0.03 0.00 0.00 56.01 52.47 1ih7 n LEU 37 Cb 0.53 1.01 -0.11 0.00 -2.33 0.00 0.00 43.42 42.52 1ih7 n LEU 37 CO 0.25 -0.50 -0.37 -0.36 -1.33 0.00 0.00 177.39 175.08 1ih7 s PHE 38 N -3.12 0.44 0.03 -1.77 0.08 -0.16 -0.29 117.98 113.18 1ih7 s PHE 38 Ca 0.20 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.63 1ih7 s PHE 38 Cb 0.01 -0.29 -0.02 0.00 -0.57 0.00 0.00 43.02 42.15 1ih7 s PHE 38 CO 0.14 -0.20 -0.07 0.00 -0.10 0.00 0.00 175.22 174.99 1ih7 s ALA 39 N -2.00 0.56 0.65 5.36 0.00 -0.91 -0.73 121.76 124.68 1ih7 s ALA 39 Ca -0.09 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.08 1ih7 s ALA 39 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1ih7 s ALA 39 CO -0.02 0.03 1.24 -1.01 0.00 0.00 0.00 175.76 175.99 1ih7 s HIS 40 N -1.01 2.20 0.12 0.00 3.76 -1.26 -1.22 115.29 117.87 1ih7 s HIS 40 Ca -0.06 1.52 -0.04 0.00 -0.15 0.00 0.00 55.06 56.33 1ih7 s HIS 40 Cb -0.08 -3.55 -0.03 0.00 1.11 0.00 0.00 32.58 30.03 1ih7 s HIS 40 CO 0.00 -2.56 0.11 0.00 -0.85 0.00 0.00 174.74 171.44 1ih7 s PRO 42 N -3.98 2.95 0.54 0.00 0.04 -1.26 -4.66 135.00 128.62 1ih7 s PRO 42 Ca 0.17 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.21 1ih7 s PRO 42 Cb 0.06 -1.94 1.44 0.00 0.04 0.00 0.00 34.50 34.10 1ih7 s PRO 42 CO -0.02 -1.19 1.94 1.05 0.04 0.00 0.00 177.00 178.82 1ih7 h GLU 43 N 0.73 0.00 -0.73 4.56 9.09 -2.01 0.21 114.58 126.43 1ih7 h GLU 43 Ca -0.50 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.03 1ih7 h GLU 43 Cb 1.28 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.30 1ih7 h GLU 43 CO 0.55 0.00 0.33 0.77 0.05 0.00 0.00 179.01 180.71 1ih7 h SER 44 N 0.00 0.38 -2.37 3.06 0.02 -2.03 -3.36 113.55 109.24 1ih7 h SER 44 Ca 0.33 0.08 -0.54 0.00 -0.84 0.00 0.00 61.79 60.82 1ih7 h SER 44 Cb 1.34 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.88 1ih7 h SER 44 CO -0.00 0.19 1.31 -1.58 -1.14 0.00 0.00 176.83 175.61 1ih7 s GLN 45 N -6.04 3.00 0.06 3.45 -0.44 0.72 -4.95 119.66 115.47 1ih7 s GLN 45 Ca -0.12 1.06 -0.30 0.00 -2.50 0.00 0.00 55.36 53.49 1ih7 s GLN 45 Cb 0.19 -4.28 -0.05 0.00 -1.64 0.00 0.00 33.01 27.22 1ih7 s GLN 45 CO 0.76 -2.27 1.14 0.00 0.50 0.00 0.00 175.29 175.42 1ih7 s ALA 46 N 7.94 3.34 0.36 1.58 0.00 -1.26 -4.86 121.76 128.86 1ih7 s ALA 46 Ca 0.74 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 53.37 1ih7 s ALA 46 Cb -0.18 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.56 1ih7 s ALA 46 CO 0.28 -0.36 0.64 0.95 0.00 0.00 0.00 175.76 177.27 1ih7 s THR 47 N 0.86 0.00 -1.08 0.00 -4.23 -1.26 -5.03 115.64 104.91 1ih7 s THR 47 Ca 0.56 -1.27 0.12 0.00 -1.18 0.00 0.00 61.69 59.91 1ih7 s THR 47 Cb -0.28 -2.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.86 1ih7 s THR 47 CO 0.30 0.00 0.70 2.29 -0.54 0.00 0.00 174.62 177.36 1ih7 n LYS 48 N -0.53 1.96 -3.44 3.99 2.85 -1.26 -4.97 118.16 116.76 1ih7 n LYS 48 Ca -0.04 -0.66 -0.38 0.00 -1.05 0.00 0.00 58.31 56.18 1ih7 n LYS 48 Cb 0.61 -1.14 -0.07 0.00 -0.65 0.00 0.00 35.03 33.77 1ih7 n LYS 48 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1ih7 s TYR 49 N -1.51 3.39 0.03 5.58 1.51 -1.26 -4.75 117.35 120.34 1ih7 s TYR 49 Ca 0.10 0.59 0.01 0.00 -1.01 0.00 0.00 57.07 56.76 1ih7 s TYR 49 Cb 0.09 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1ih7 s TYR 49 CO 0.30 0.06 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.68 1ih7 s PHE 50 N 1.08 0.47 0.90 2.71 0.40 -1.14 -0.50 117.98 121.90 1ih7 s PHE 50 Ca 0.18 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 1ih7 s PHE 50 Cb -0.14 -0.30 0.18 0.00 0.51 0.00 0.00 43.02 43.27 1ih7 s PHE 50 CO 0.07 -0.12 1.24 0.16 0.70 0.00 0.00 175.22 177.27 1ih7 s ASP 51 N -1.40 3.44 0.41 1.36 1.47 0.18 -0.23 116.67 121.90 1ih7 s ASP 51 Ca -0.11 0.10 0.29 0.00 1.18 0.00 0.00 52.55 54.00 1ih7 s ASP 51 Cb -0.09 -0.23 1.41 0.00 -0.34 0.00 0.00 42.92 43.67 1ih7 s ASP 51 CO -0.00 -2.50 1.87 0.16 0.68 0.00 0.00 175.17 175.38 1ih7 h ILE 52 N -1.35 0.00 -0.01 2.11 3.07 -1.90 -1.04 117.51 118.40 1ih7 h ILE 52 Ca -0.42 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 65.84 1ih7 h ILE 52 Cb 1.24 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1ih7 h ILE 52 CO 0.39 0.00 -0.02 -1.22 -1.05 0.00 0.00 178.15 176.24 1ih7 n TYR 53 N -2.55 0.00 -0.50 0.16 4.01 -1.26 -4.90 117.16 112.12 1ih7 n TYR 53 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ih7 n TYR 53 Cb 0.14 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1ih7 n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ih7 n GLY 54 N 1.18 0.75 3.73 2.72 0.00 -0.39 -5.05 105.19 108.13 1ih7 n GLY 54 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ih7 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ih7 s LYS 55 N -0.50 4.66 0.47 1.61 -0.14 -1.26 -4.75 119.74 119.83 1ih7 s LYS 55 Ca 0.00 1.50 -0.24 0.00 -1.36 0.00 0.00 55.97 55.87 1ih7 s LYS 55 Cb 0.00 -3.37 -0.07 0.00 -1.68 0.00 0.00 37.83 32.71 1ih7 s LYS 55 CO 0.00 0.16 1.33 -1.25 -0.76 0.00 0.00 175.35 174.82 1ih7 s PRO 56 N 0.08 3.59 0.07 -1.68 0.04 -1.26 -0.65 135.00 135.19 1ih7 s PRO 56 Ca 0.48 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.71 1ih7 s PRO 56 Cb -0.24 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1ih7 s PRO 56 CO 0.30 -0.81 -0.07 0.00 0.04 0.00 0.00 177.00 176.47 1ih7 s THR 58 N -2.81 2.05 0.08 0.00 -1.32 -0.36 -4.35 115.64 108.93 1ih7 s THR 58 Ca 0.03 -1.37 -0.22 0.00 -1.21 0.00 0.00 61.69 58.92 1ih7 s THR 58 Cb -0.00 -1.76 -0.07 0.00 -1.51 0.00 0.00 72.50 69.16 1ih7 s THR 58 CO -0.03 0.32 0.66 -0.60 -2.21 0.00 0.00 174.62 172.75 1ih7 s ARG 59 N -1.28 4.36 -0.24 7.08 3.52 -1.26 -2.13 118.95 129.00 1ih7 s ARG 59 Ca 0.11 0.90 -0.02 0.00 -0.13 0.00 0.00 55.73 56.59 1ih7 s ARG 59 Cb -0.10 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1ih7 s ARG 59 CO 0.02 0.53 -0.07 0.15 -0.81 0.00 0.00 175.30 175.12 1ih7 s LYS 60 N -0.81 2.93 -0.24 5.12 -0.14 0.60 -4.98 119.74 122.21 1ih7 s LYS 60 Ca 0.32 -0.92 -0.12 0.00 -1.36 0.00 0.00 55.97 53.90 1ih7 s LYS 60 Cb -0.20 -2.96 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 1ih7 s LYS 60 CO 0.21 -0.36 0.23 -1.17 -0.76 0.00 0.00 175.35 173.51 1ih7 s LEU 61 N 1.35 4.11 0.13 3.17 1.98 -1.26 -1.35 118.68 126.80 1ih7 s LEU 61 Ca 0.01 0.20 0.02 0.00 -2.89 0.00 0.00 54.13 51.47 1ih7 s LEU 61 Cb -0.16 -2.22 -0.04 0.00 0.66 0.00 0.00 46.19 44.43 1ih7 s LEU 61 CO -0.05 0.00 0.27 -0.36 -1.89 0.00 0.00 176.35 174.33 1ih7 s PHE 62 N 1.28 3.49 0.28 5.38 0.40 -0.37 -5.01 117.98 123.44 1ih7 s PHE 62 Ca 0.10 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 1ih7 s PHE 62 Cb -0.14 -1.69 0.41 0.00 0.51 0.00 0.00 43.02 42.11 1ih7 s PHE 62 CO 0.06 0.52 1.67 0.00 0.70 0.00 0.00 175.22 178.18 1ih7 h ALA 63 N 2.32 1.05 -2.95 5.36 0.00 -1.94 -3.37 119.26 119.73 1ih7 h ALA 63 Ca -0.48 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.01 1ih7 h ALA 63 Cb 1.19 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1ih7 h ALA 63 CO 0.70 0.63 0.14 0.54 0.00 0.00 0.00 179.25 181.26 1ih7 s ASN 64 N -6.88 -0.26 0.41 0.00 2.20 -1.26 -4.71 114.94 104.43 1ih7 s ASN 64 Ca -0.04 -0.59 0.15 0.00 -0.94 0.00 0.00 52.86 51.44 1ih7 s ASN 64 Cb 0.13 0.67 0.88 0.00 -2.00 0.00 0.00 41.25 40.93 1ih7 s ASN 64 CO 0.78 -1.24 1.90 0.24 -2.94 0.00 0.00 177.10 175.84 1ih7 h MET 65 N 2.07 0.00 -0.54 3.55 2.86 -1.84 -2.77 114.93 118.26 1ih7 h MET 65 Ca -0.23 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.35 1ih7 h MET 65 Cb 1.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1ih7 h MET 65 CO 0.28 0.28 0.11 -0.09 1.06 0.00 0.00 176.91 178.55 1ih7 h ARG 66 N 0.00 0.88 -0.71 1.72 9.65 -1.94 -1.67 114.38 122.32 1ih7 h ARG 66 Ca -0.00 -0.23 -0.05 0.00 -1.10 0.00 0.00 59.98 58.60 1ih7 h ARG 66 Cb 0.51 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 1ih7 h ARG 66 CO 0.04 0.85 0.24 -0.44 2.80 0.00 0.00 179.97 183.45 1ih7 h ASP 67 N 0.78 1.02 -0.77 -3.80 3.45 -1.92 -1.33 116.42 113.84 1ih7 h ASP 67 Ca 0.17 -0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 1ih7 h ASP 67 Cb 0.38 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 1ih7 h ASP 67 CO 0.01 0.95 0.35 0.00 -1.57 0.00 0.00 179.24 178.97 1ih7 h ALA 68 N 1.11 1.00 -0.59 3.45 0.00 -1.27 -0.80 119.26 122.16 1ih7 h ALA 68 Ca 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ih7 h ALA 68 Cb 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ih7 h ALA 68 CO -0.01 0.58 0.22 0.77 0.00 0.00 0.00 179.25 180.81 1ih7 h SER 69 N 1.10 0.82 -0.39 0.00 0.02 -0.88 -2.01 113.55 112.21 1ih7 h SER 69 Ca 0.26 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1ih7 h SER 69 Cb 0.15 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1ih7 h SER 69 CO -0.03 0.78 0.12 1.56 -1.14 0.00 0.00 176.83 178.12 1ih7 h GLN 70 N 0.81 0.61 -0.58 3.45 1.08 -0.97 -2.59 115.11 116.92 1ih7 h GLN 70 Ca 0.19 -0.13 0.06 0.00 -1.45 0.00 0.00 58.65 57.32 1ih7 h GLN 70 Cb 0.23 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 1ih7 h GLN 70 CO -0.01 0.62 0.29 2.35 -0.95 0.00 0.00 178.83 181.13 1ih7 h TRP 71 N 0.48 0.53 -0.36 2.96 7.01 -0.95 0.19 115.95 125.80 1ih7 h TRP 71 Ca 0.12 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.19 1ih7 h TRP 71 Cb 0.27 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 1ih7 h TRP 71 CO 0.01 0.24 0.14 0.82 -2.79 0.00 0.00 178.44 176.85 1ih7 h ILE 72 N 0.55 0.91 -0.56 2.65 2.04 -1.21 0.25 117.51 122.13 1ih7 h ILE 72 Ca 0.27 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1ih7 h ILE 72 Cb 0.20 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1ih7 h ILE 72 CO -0.19 0.05 0.35 0.50 0.00 0.00 0.00 178.15 178.86 1ih7 h LYS 73 N 0.29 0.75 -0.18 2.37 3.11 -0.92 0.32 116.57 122.31 1ih7 h LYS 73 Ca 0.16 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1ih7 h LYS 73 Cb 0.13 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1ih7 h LYS 73 CO -0.16 0.53 0.11 -0.09 -2.81 0.00 0.00 179.45 177.02 1ih7 h ARG 74 N 0.75 0.25 -0.66 1.90 2.43 0.09 -0.09 114.38 119.06 1ih7 h ARG 74 Ca 0.20 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1ih7 h ARG 74 Cb -0.04 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 1ih7 h ARG 74 CO -0.04 0.24 0.38 0.52 -1.51 0.00 0.00 179.97 179.56 1ih7 h MET 75 N 0.20 0.70 -0.72 0.20 2.86 -0.21 -2.06 114.93 115.90 1ih7 h MET 75 Ca 0.07 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1ih7 h MET 75 Cb 0.05 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1ih7 h MET 75 CO -0.01 0.46 0.29 0.93 1.06 0.00 0.00 176.91 179.65 1ih7 h GLU 76 N 0.72 1.08 -0.73 1.72 4.39 -0.54 0.26 114.58 121.49 1ih7 h GLU 76 Ca 0.28 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1ih7 h GLU 76 Cb 0.12 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1ih7 h GLU 76 CO -0.15 0.88 0.43 -0.44 -1.16 0.00 0.00 179.01 178.57 1ih7 h ASP 77 N 1.04 0.88 -0.12 1.42 3.32 -0.53 -3.00 116.42 119.43 1ih7 h ASP 77 Ca 0.24 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1ih7 h ASP 77 Cb 0.21 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1ih7 h ASP 77 CO -0.02 0.70 -0.08 0.40 -1.72 0.00 0.00 179.24 178.52 1ih7 h ILE 78 N 0.99 1.33 0.00 0.35 2.04 -1.06 -3.48 117.51 117.69 1ih7 h ILE 78 Ca 0.26 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1ih7 h ILE 78 Cb -0.01 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1ih7 h ILE 78 CO -0.05 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1ih7 n GLY 79 N 0.08 0.40 3.77 5.37 0.00 -0.01 -5.12 105.19 109.69 1ih7 n GLY 79 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ih7 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ih7 s LEU 80 N 0.00 4.43 0.18 0.99 1.43 -0.67 -4.98 118.68 120.05 1ih7 s LEU 80 Ca 0.00 1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 1ih7 s LEU 80 Cb 0.00 -3.90 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 1ih7 s LEU 80 CO 0.00 -0.02 1.10 -0.70 0.23 0.00 0.00 176.35 176.96 1ih7 s GLU 81 N -1.81 4.60 -0.44 1.70 2.12 -1.26 -4.08 118.70 119.53 1ih7 s GLU 81 Ca 0.48 1.71 -0.07 0.00 0.36 0.00 0.00 54.97 57.45 1ih7 s GLU 81 Cb -0.21 -3.28 0.10 0.00 0.26 0.00 0.00 34.13 31.00 1ih7 s GLU 81 CO 0.26 0.08 0.27 0.00 -0.54 0.00 0.00 175.26 175.34 1ih7 s ALA 82 N -0.23 3.28 0.55 6.30 0.00 -1.26 -4.55 121.76 125.86 1ih7 s ALA 82 Ca 0.49 -2.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.01 1ih7 s ALA 82 Cb -0.29 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1ih7 s ALA 82 CO 0.35 -1.79 0.82 -0.51 0.00 0.00 0.00 175.76 174.62 1ih7 s LEU 83 N 1.31 3.31 0.00 0.00 1.02 0.09 -4.19 118.68 120.22 1ih7 s LEU 83 Ca 0.05 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.60 1ih7 s LEU 83 Cb -0.24 -3.22 0.00 0.00 0.02 0.00 0.00 46.19 42.74 1ih7 s LEU 83 CO -0.01 -1.04 0.00 0.61 0.02 0.00 0.00 176.35 175.93 1ih7 n GLY 84 N -2.42 1.28 3.55 -3.19 0.00 -0.72 -0.99 105.19 102.69 1ih7 n GLY 84 Ca 0.05 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1ih7 n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ih7 s MET 85 N -1.58 3.16 0.29 1.61 1.75 -1.26 -4.86 119.30 118.42 1ih7 s MET 85 Ca 0.00 -0.10 0.26 0.00 -1.25 0.00 0.00 55.69 54.59 1ih7 s MET 85 Cb 0.00 -4.19 0.92 0.00 2.84 0.00 0.00 34.83 34.40 1ih7 s MET 85 CO 0.00 -2.17 1.76 0.38 -0.65 0.00 0.00 175.02 174.34 1ih7 h ASP 86 N 10.51 0.00 -2.73 1.11 3.04 -1.93 -3.39 116.42 123.02 1ih7 h ASP 86 Ca -0.28 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 52.85 1ih7 h ASP 86 Cb 1.06 0.00 -0.17 0.00 -1.04 0.00 0.00 39.33 39.18 1ih7 h ASP 86 CO 1.26 0.00 0.42 -0.62 -2.04 0.00 0.00 179.24 178.26 1ih7 s ASP 87 N -4.68 6.24 0.64 4.15 -1.08 -1.26 -4.91 116.67 115.77 1ih7 s ASP 87 Ca 0.06 -1.31 0.40 0.00 -0.52 0.00 0.00 52.55 51.18 1ih7 s ASP 87 Cb 0.10 -2.37 2.24 0.00 -1.46 0.00 0.00 42.92 41.43 1ih7 s ASP 87 CO 0.50 -1.26 2.33 -0.26 0.52 0.00 0.00 175.17 177.00 1ih7 h PHE 88 N 9.31 0.00 -0.38 -5.34 0.04 -2.00 -1.64 116.94 116.93 1ih7 h PHE 88 Ca -0.23 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.44 1ih7 h PHE 88 Cb 1.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 1ih7 h PHE 88 CO 0.95 0.00 -0.15 0.87 -0.60 0.00 0.00 178.31 179.38 1ih7 h LYS 89 N 0.00 0.77 -0.45 1.51 1.57 -1.94 0.12 116.57 118.15 1ih7 h LYS 89 Ca -0.00 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.33 1ih7 h LYS 89 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ih7 h LYS 89 CO 0.00 0.94 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.52 1ih7 h LEU 90 N 0.57 0.93 -0.41 2.94 3.38 -1.63 -1.07 115.31 120.03 1ih7 h LEU 90 Ca 0.09 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1ih7 h LEU 90 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1ih7 h LEU 90 CO 0.05 1.12 0.14 0.00 0.09 0.00 0.00 178.44 179.83 1ih7 h ALA 91 N 0.95 0.53 -0.38 1.53 0.00 -1.35 0.29 119.26 120.84 1ih7 h ALA 91 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ih7 h ALA 91 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ih7 h ALA 91 CO 0.06 0.17 0.22 -0.92 0.00 0.00 0.00 179.25 178.78 1ih7 h TYR 92 N 0.51 0.52 -0.43 0.00 5.03 -0.58 -0.56 116.97 121.45 1ih7 h TYR 92 Ca 0.13 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 1ih7 h TYR 92 Cb 0.24 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1ih7 h TYR 92 CO 0.01 0.39 0.03 -0.07 -1.32 0.00 0.00 178.16 177.20 1ih7 h LEU 93 N 0.49 0.64 -0.58 2.82 3.38 -1.02 -0.39 115.31 120.65 1ih7 h LEU 93 Ca 0.14 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ih7 h LEU 93 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ih7 h LEU 93 CO -0.02 0.70 -0.11 -1.28 0.09 0.00 0.00 178.44 177.81 1ih7 h SER 94 N 0.65 1.02 -0.00 -0.43 0.87 -0.41 -1.35 113.55 113.89 1ih7 h SER 94 Ca 0.14 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 1ih7 h SER 94 Cb 0.37 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1ih7 h SER 94 CO 0.01 1.13 -0.14 0.44 -0.53 0.00 0.00 176.83 177.73 1ih7 h ASP 95 N 0.90 0.13 -0.40 6.23 3.32 -0.89 -3.25 116.42 122.46 1ih7 h ASP 95 Ca 0.14 -0.77 -0.05 0.00 0.02 0.00 0.00 57.03 56.36 1ih7 h ASP 95 Cb 0.68 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1ih7 h ASP 95 CO 0.05 0.89 0.08 0.74 -1.72 0.00 0.00 179.24 179.28 1ih7 h THR 96 N -0.61 1.22 -2.31 0.35 2.02 -1.13 -3.25 112.91 109.20 1ih7 h THR 96 Ca -0.02 -0.82 -0.64 0.00 0.77 0.00 0.00 66.41 65.71 1ih7 h THR 96 Cb 0.91 0.77 -0.39 0.00 -1.74 0.00 0.00 68.15 67.70 1ih7 h THR 96 CO 0.03 0.30 -0.32 -1.22 0.37 0.00 0.00 175.52 174.68 1ih7 n TYR 97 N -4.27 3.53 -1.59 3.16 4.02 -0.51 -4.93 117.16 116.56 1ih7 n TYR 97 Ca 0.03 -3.81 -0.40 0.00 -0.01 0.00 0.00 57.90 53.72 1ih7 n TYR 97 Cb 0.24 -0.67 -0.02 0.00 -0.02 0.00 0.00 39.34 38.87 1ih7 n TYR 97 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1ih7 n ASN 98 N 0.55 8.36 -3.60 7.72 6.94 -1.23 -4.77 115.26 129.23 1ih7 n ASN 98 Ca 0.31 -2.80 -0.04 0.00 -0.02 0.00 0.00 54.58 52.03 1ih7 n ASN 98 Cb 0.38 -1.48 -0.02 0.00 -2.36 0.00 0.00 39.78 36.30 1ih7 n ASN 98 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1ih7 s TYR 99 N 0.89 -0.15 -0.04 -2.53 1.13 -1.26 -5.12 117.35 110.28 1ih7 s TYR 99 Ca 0.63 0.04 -0.30 0.00 -1.41 0.00 0.00 57.07 56.04 1ih7 s TYR 99 Cb 0.18 0.54 -0.06 0.00 -1.10 0.00 0.00 41.96 41.52 1ih7 s TYR 99 CO -0.07 -0.34 1.64 -2.00 -2.51 0.00 0.00 175.55 172.27 1ih7 s GLU 100 N -2.63 4.19 0.00 -3.49 2.12 -1.26 -4.94 118.70 112.70 1ih7 s GLU 100 Ca 0.10 2.19 -0.30 0.00 0.36 0.00 0.00 54.97 57.32 1ih7 s GLU 100 Cb 0.00 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 1ih7 s GLU 100 CO -0.05 -0.82 1.15 0.42 -0.54 0.00 0.00 175.26 175.43 1ih7 s ILE 101 N 3.82 4.29 -0.36 -3.70 1.01 -1.26 -5.01 121.20 119.98 1ih7 s ILE 101 Ca 0.73 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.97 1ih7 s ILE 101 Cb -0.34 -4.05 0.07 0.00 0.01 0.00 0.00 42.46 38.16 1ih7 s ILE 101 CO 0.30 0.08 0.13 -0.54 0.00 0.00 0.00 174.94 174.91 1ih7 s LYS 102 N 1.47 2.33 0.20 2.79 1.02 -1.26 -4.93 119.74 121.37 1ih7 s LYS 102 Ca 0.56 -1.48 0.04 0.00 0.02 0.00 0.00 55.97 55.11 1ih7 s LYS 102 Cb -0.26 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 1ih7 s LYS 102 CO 0.26 -0.84 0.33 1.52 -0.92 0.00 0.00 175.35 175.70 1ih7 s TYR 103 N 1.26 3.46 -0.46 3.18 1.13 -1.26 -4.85 117.35 119.82 1ih7 s TYR 103 Ca 0.02 0.03 0.03 0.00 -1.41 0.00 0.00 57.07 55.74 1ih7 s TYR 103 Cb -0.21 -1.61 0.12 0.00 -1.10 0.00 0.00 41.96 39.16 1ih7 s TYR 103 CO -0.01 0.47 0.20 0.34 -2.51 0.00 0.00 175.55 174.04 1ih7 s ASP 104 N -3.69 4.27 0.62 -0.18 3.68 -1.26 -4.99 116.67 115.12 1ih7 s ASP 104 Ca 0.34 -2.70 0.28 0.00 2.13 0.00 0.00 52.55 52.60 1ih7 s ASP 104 Cb -0.10 -1.49 1.45 0.00 -1.45 0.00 0.00 42.92 41.34 1ih7 s ASP 104 CO 0.29 -0.28 1.85 1.12 0.13 0.00 0.00 175.17 178.28 1ih7 h HIS 105 N 6.85 0.00 0.00 -5.34 2.07 -1.98 0.11 115.15 116.86 1ih7 h HIS 105 Ca -0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1ih7 h HIS 105 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 1ih7 h HIS 105 CO 0.49 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.60 1ih7 n THR 106 N -3.33 1.00 0.84 6.12 -2.24 -1.26 -1.86 114.28 113.55 1ih7 n THR 106 Ca 0.04 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.18 1ih7 n THR 106 Cb 0.60 -1.06 0.01 0.00 -2.10 0.00 0.00 70.33 67.77 1ih7 n THR 106 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ih7 n LYS 107 N -1.68 1.53 -3.22 -0.78 5.02 0.38 -4.88 118.16 114.53 1ih7 n LYS 107 Ca 0.03 -1.02 -0.41 0.00 -2.02 0.00 0.00 58.31 54.88 1ih7 n LYS 107 Cb 0.18 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 1ih7 n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ih7 s ILE 108 N -2.08 4.99 -0.59 -0.18 1.01 -0.78 -4.97 121.20 118.59 1ih7 s ILE 108 Ca 0.17 0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.90 1ih7 s ILE 108 Cb 0.15 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ih7 s ILE 108 CO 0.44 -0.25 1.60 -0.60 0.00 0.00 0.00 174.94 176.13 1ih7 s ARG 109 N 2.45 3.02 -0.35 2.79 3.52 -1.26 -4.78 118.95 124.34 1ih7 s ARG 109 Ca 0.20 0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 56.14 1ih7 s ARG 109 Cb -0.15 -4.25 -0.01 0.00 -1.56 0.00 0.00 34.95 28.98 1ih7 s ARG 109 CO 0.14 -2.29 0.25 0.08 -0.81 0.00 0.00 175.30 172.67 1ih7 s VAL 110 N 7.27 5.28 -0.16 7.11 1.01 -1.26 -0.86 120.40 138.79 1ih7 s VAL 110 Ca 0.57 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1ih7 s VAL 110 Cb -0.12 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ih7 s VAL 110 CO 0.22 -0.04 0.13 0.00 0.00 0.00 0.00 175.10 175.41 1ih7 s ALA 111 N 1.74 3.75 -0.23 5.51 0.00 -0.04 -1.34 121.76 131.15 1ih7 s ALA 111 Ca 0.06 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1ih7 s ALA 111 Cb -0.17 -2.05 0.05 0.00 0.00 0.00 0.00 23.12 20.95 1ih7 s ALA 111 CO 0.11 0.38 -0.11 1.21 0.00 0.00 0.00 175.76 177.34 1ih7 s ASN 112 N -0.29 3.89 0.29 0.00 3.04 -0.01 -0.35 114.94 121.51 1ih7 s ASN 112 Ca 0.11 -1.12 0.02 0.00 0.04 0.00 0.00 52.86 51.91 1ih7 s ASN 112 Cb -0.12 -1.40 -0.05 0.00 -1.54 0.00 0.00 41.25 38.14 1ih7 s ASN 112 CO 0.01 -0.16 0.09 0.72 -3.04 0.00 0.00 177.10 174.72 1ih7 s PHE 113 N 1.25 1.68 -0.11 0.43 -0.71 -0.86 -0.51 117.98 119.14 1ih7 s PHE 113 Ca -0.04 -1.14 -0.08 0.00 -1.04 0.00 0.00 56.93 54.62 1ih7 s PHE 113 Cb -0.18 -1.02 0.04 0.00 -1.21 0.00 0.00 43.02 40.65 1ih7 s PHE 113 CO -0.07 -0.26 0.29 0.34 -1.34 0.00 0.00 175.22 174.18 1ih7 s ASP 114 N -3.38 -0.31 -0.16 1.98 2.15 0.14 -4.55 116.67 112.53 1ih7 s ASP 114 Ca 0.37 0.60 -0.00 0.00 0.43 0.00 0.00 52.55 53.94 1ih7 s ASP 114 Cb 0.08 0.54 -0.00 0.00 -0.30 0.00 0.00 42.92 43.24 1ih7 s ASP 114 CO 0.15 -0.13 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.25 1ih7 s ILE 115 N 0.71 2.81 -0.10 4.11 -1.09 -1.26 -1.33 121.20 125.05 1ih7 s ILE 115 Ca -0.05 -0.72 -0.02 0.00 -2.23 0.00 0.00 60.65 57.64 1ih7 s ILE 115 Cb -0.06 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.59 1ih7 s ILE 115 CO -0.05 0.51 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.55 1ih7 s GLU 116 N 0.84 3.10 -0.06 2.79 0.41 0.08 -4.87 118.70 120.99 1ih7 s GLU 116 Ca -0.04 -0.43 -0.02 0.00 -0.41 0.00 0.00 54.97 54.06 1ih7 s GLU 116 Cb -0.15 -2.81 0.03 0.00 -1.78 0.00 0.00 34.13 29.42 1ih7 s GLU 116 CO -0.00 0.62 0.06 0.08 -0.49 0.00 0.00 175.26 175.53 1ih7 s VAL 117 N -0.65 -0.10 0.14 2.63 1.01 -1.26 -2.04 120.40 120.12 1ih7 s VAL 117 Ca 0.10 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 1ih7 s VAL 117 Cb -0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.98 1ih7 s VAL 117 CO 0.02 0.13 0.69 -0.89 0.00 0.00 0.00 175.10 175.05 1ih7 s THR 118 N 2.16 4.54 -0.01 3.92 2.01 -1.26 -4.88 115.64 122.12 1ih7 s THR 118 Ca 0.05 1.46 -0.17 0.00 0.31 0.00 0.00 61.69 63.33 1ih7 s THR 118 Cb -0.12 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1ih7 s THR 118 CO -0.04 0.49 0.37 -0.94 -0.69 0.00 0.00 174.62 173.81 1ih7 s SER 119 N -1.21 -0.26 0.26 3.53 1.04 -1.26 -4.68 113.70 111.12 1ih7 s SER 119 Ca 0.34 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 1ih7 s SER 119 Cb -0.21 0.35 0.51 0.00 0.10 0.00 0.00 66.02 66.77 1ih7 s SER 119 CO 0.23 -0.49 1.77 1.55 0.98 0.00 0.00 173.24 177.28 1ih7 h PRO 120 N 3.66 0.65 0.00 4.02 0.13 -1.97 -2.59 132.00 135.90 1ih7 h PRO 120 Ca -0.29 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1ih7 h PRO 120 Cb 1.17 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ih7 h PRO 120 CO 0.40 0.43 -0.86 0.38 -0.23 0.00 0.00 178.00 178.12 1ih7 h ASP 121 N 0.67 0.00 0.00 1.44 -0.00 -1.96 -3.46 116.42 113.11 1ih7 h ASP 121 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.48 1ih7 h ASP 121 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 1ih7 h ASP 121 CO -0.34 0.08 0.00 0.61 -0.00 0.00 0.00 179.24 179.59 1ih7 n GLY 122 N 1.19 0.63 2.71 7.15 0.00 -0.98 -4.77 105.19 111.13 1ih7 n GLY 122 Ca -0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1ih7 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ih7 n PHE 123 N -2.79 -2.97 -1.83 1.61 3.01 -1.26 -4.84 117.46 108.39 1ih7 n PHE 123 Ca 0.00 -2.03 -0.40 0.00 1.01 0.00 0.00 57.45 56.03 1ih7 n PHE 123 Cb 0.08 1.51 0.01 0.00 -0.01 0.00 0.00 39.48 41.07 1ih7 n PHE 123 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ih7 s PRO 124 N 0.37 3.86 -0.28 -1.08 0.04 -1.26 -4.96 135.00 131.69 1ih7 s PRO 124 Ca 0.27 2.44 -0.28 0.00 0.04 0.00 0.00 61.00 63.47 1ih7 s PRO 124 Cb 0.26 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1ih7 s PRO 124 CO -0.15 -0.69 1.03 -2.00 0.04 0.00 0.00 177.00 175.23 1ih7 s GLU 125 N -2.31 4.15 0.26 4.56 2.56 -1.26 -4.95 118.70 121.71 1ih7 s GLU 125 Ca 0.58 1.15 -0.02 0.00 0.00 0.00 0.00 54.97 56.68 1ih7 s GLU 125 Cb -0.44 -3.69 0.49 0.00 2.00 0.00 0.00 34.13 32.48 1ih7 s GLU 125 CO 0.58 -0.75 1.78 -1.35 -0.56 0.00 0.00 175.26 174.95 1ih7 h PRO 126 N 7.80 0.66 0.00 4.30 0.11 -1.90 -1.43 132.00 141.54 1ih7 h PRO 126 Ca -0.20 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 1ih7 h PRO 126 Cb 1.06 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ih7 h PRO 126 CO 0.99 0.44 -0.01 0.66 -0.21 0.00 0.00 178.00 179.87 1ih7 h SER 127 N 0.68 0.00 0.04 -2.05 4.64 -1.92 -3.06 113.55 111.88 1ih7 h SER 127 Ca 0.44 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.40 1ih7 h SER 127 Cb 0.55 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 1ih7 h SER 127 CO -0.32 0.01 -2.06 0.00 -0.87 0.00 0.00 176.83 173.59 1ih7 n GLN 128 N -3.13 0.65 -3.83 4.77 1.13 -0.72 -5.00 117.38 111.25 1ih7 n GLN 128 Ca -0.02 0.31 -0.24 0.00 -1.94 0.00 0.00 57.00 55.12 1ih7 n GLN 128 Cb 0.17 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 28.90 1ih7 n GLN 128 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ih7 n ALA 129 N -3.43 -2.03 0.34 -1.58 0.00 -0.62 -4.87 120.51 108.32 1ih7 n ALA 129 Ca -0.40 -0.23 0.14 0.00 0.00 0.00 0.00 53.44 52.95 1ih7 n ALA 129 Cb 0.91 -1.75 0.38 0.00 0.00 0.00 0.00 19.45 19.00 1ih7 n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ih7 h LYS 130 N -1.85 0.00 -6.35 0.00 1.57 -1.92 -3.44 116.57 104.59 1ih7 h LYS 130 Ca -0.62 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.55 1ih7 h LYS 130 Cb 1.37 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.56 1ih7 h LYS 130 CO 0.59 0.00 -0.66 -1.01 -0.57 0.00 0.00 179.45 177.80 1ih7 s HIS 131 N -3.31 2.84 0.53 -1.35 3.76 -1.26 -5.10 115.29 111.39 1ih7 s HIS 131 Ca 0.06 -0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.63 1ih7 s HIS 131 Cb 0.08 -1.38 -0.06 0.00 1.11 0.00 0.00 32.58 32.33 1ih7 s HIS 131 CO 0.59 0.51 1.14 -1.25 -0.85 0.00 0.00 174.74 174.89 1ih7 s PRO 132 N -2.89 3.40 -0.24 8.40 0.04 -1.26 -4.98 135.00 137.46 1ih7 s PRO 132 Ca 0.27 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 1ih7 s PRO 132 Cb -0.09 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ih7 s PRO 132 CO 0.18 -0.82 0.86 0.42 0.04 0.00 0.00 177.00 177.68 1ih7 s ILE 133 N -1.73 4.82 -1.29 0.56 1.01 -1.26 -4.21 121.20 119.10 1ih7 s ILE 133 Ca 0.72 1.63 0.12 0.00 0.00 0.00 0.00 60.65 63.12 1ih7 s ILE 133 Cb -0.25 -4.14 0.21 0.00 0.01 0.00 0.00 42.46 38.29 1ih7 s ILE 133 CO 0.28 -0.09 1.08 -0.90 0.00 0.00 0.00 174.94 175.32 1ih7 n ASP 134 N 6.04 2.51 -3.64 3.58 5.68 -0.87 -4.82 116.55 125.03 1ih7 n ASP 134 Ca 0.06 -1.75 -0.03 0.00 -0.50 0.00 0.00 54.79 52.58 1ih7 n ASP 134 Cb 0.47 -0.12 -0.07 0.00 -1.14 0.00 0.00 41.12 40.26 1ih7 n ASP 134 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ih7 s ALA 135 N -1.01 -2.23 -0.09 2.12 0.00 -1.23 -1.89 121.76 117.43 1ih7 s ALA 135 Ca 0.20 2.22 -0.01 0.00 0.00 0.00 0.00 51.96 54.37 1ih7 s ALA 135 Cb 0.12 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1ih7 s ALA 135 CO 0.16 -0.35 -0.03 0.42 0.00 0.00 0.00 175.76 175.97 1ih7 s ILE 136 N 1.34 0.65 -0.25 0.00 1.01 0.10 -0.74 121.20 123.30 1ih7 s ILE 136 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 1ih7 s ILE 136 Cb -0.04 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1ih7 s ILE 136 CO -0.15 0.30 -0.02 -0.89 0.00 0.00 0.00 174.94 174.18 1ih7 s THR 137 N 1.83 3.28 -0.28 2.92 2.01 -0.44 -0.56 115.64 124.40 1ih7 s THR 137 Ca 0.04 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1ih7 s THR 137 Cb -0.12 -2.62 0.08 0.00 0.01 0.00 0.00 72.50 69.85 1ih7 s THR 137 CO -0.06 0.25 -0.01 -2.28 -0.69 0.00 0.00 174.62 171.82 1ih7 s HIS 138 N 1.42 2.89 -0.17 4.92 5.04 0.89 -0.68 115.29 129.58 1ih7 s HIS 138 Ca 0.03 -2.25 -0.18 0.00 -1.54 0.00 0.00 55.06 51.11 1ih7 s HIS 138 Cb -0.16 -2.09 -0.04 0.00 0.04 0.00 0.00 32.58 30.33 1ih7 s HIS 138 CO -0.03 -0.86 0.48 -0.47 -2.34 0.00 0.00 174.74 171.52 1ih7 s TYR 139 N 1.22 3.42 -0.23 3.88 6.14 0.33 -0.88 117.35 131.23 1ih7 s TYR 139 Ca 0.01 0.78 -0.07 0.00 0.64 0.00 0.00 57.07 58.43 1ih7 s TYR 139 Cb -0.19 -2.60 -0.03 0.00 0.42 0.00 0.00 41.96 39.56 1ih7 s TYR 139 CO -0.09 0.01 0.06 0.34 0.64 0.00 0.00 175.55 176.51 1ih7 s ASP 140 N 0.94 5.20 0.38 4.32 -1.08 -0.82 -0.83 116.67 124.78 1ih7 s ASP 140 Ca 0.24 -0.15 0.12 0.00 -0.52 0.00 0.00 52.55 52.24 1ih7 s ASP 140 Cb -0.15 -1.92 0.74 0.00 -1.46 0.00 0.00 42.92 40.13 1ih7 s ASP 140 CO 0.09 0.02 1.85 0.77 0.52 0.00 0.00 175.17 178.43 1ih7 h SER 141 N 7.83 0.07 -0.10 -0.34 4.64 -1.54 0.17 113.55 124.28 1ih7 h SER 141 Ca -0.37 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 1ih7 h SER 141 Cb 1.18 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1ih7 h SER 141 CO 0.60 0.38 -0.50 0.40 -0.87 0.00 0.00 176.83 176.84 1ih7 h ILE 142 N 0.07 1.37 0.00 0.95 2.04 -1.86 -3.18 117.51 116.89 1ih7 h ILE 142 Ca 0.01 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.03 1ih7 h ILE 142 Cb 0.57 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1ih7 h ILE 142 CO 0.04 0.55 -0.30 0.47 0.00 0.00 0.00 178.15 178.91 1ih7 n ASP 143 N -4.24 0.51 -3.90 1.72 8.00 -1.19 -4.94 116.55 112.51 1ih7 n ASP 143 Ca -0.08 0.24 -0.25 0.00 0.71 0.00 0.00 54.79 55.41 1ih7 n ASP 143 Cb 0.60 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1ih7 n ASP 143 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ih7 n ASP 144 N -1.85 -0.59 -3.99 -2.24 2.03 0.60 -4.97 116.55 105.53 1ih7 n ASP 144 Ca 0.05 -0.98 -0.12 0.00 0.52 0.00 0.00 54.79 54.27 1ih7 n ASP 144 Cb 0.39 -3.22 -0.12 0.00 -0.72 0.00 0.00 41.12 37.45 1ih7 n ASP 144 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ih7 s ARG 145 N -6.44 0.35 -0.42 -0.67 1.81 -1.16 -4.87 118.95 107.55 1ih7 s ARG 145 Ca 0.02 -0.50 -0.14 0.00 -1.72 0.00 0.00 55.73 53.38 1ih7 s ARG 145 Cb -0.01 -0.11 0.03 0.00 -0.45 0.00 0.00 34.95 34.41 1ih7 s ARG 145 CO 0.88 0.01 0.30 -0.06 -0.68 0.00 0.00 175.30 175.75 1ih7 s PHE 146 N -1.02 3.24 -0.18 -0.53 0.40 0.31 -1.94 117.98 118.27 1ih7 s PHE 146 Ca -0.09 -0.74 -0.19 0.00 -0.60 0.00 0.00 56.93 55.31 1ih7 s PHE 146 Cb -0.07 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 1ih7 s PHE 146 CO -0.00 -0.65 0.56 0.71 0.70 0.00 0.00 175.22 176.54 1ih7 s TYR 147 N 1.65 3.40 -0.22 0.36 1.51 -0.06 -1.08 117.35 122.91 1ih7 s TYR 147 Ca 0.04 0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 56.94 1ih7 s TYR 147 Cb -0.20 -2.70 0.01 0.00 -0.11 0.00 0.00 41.96 38.96 1ih7 s TYR 147 CO 0.09 -0.08 -0.09 0.08 -1.11 0.00 0.00 175.55 174.43 1ih7 s VAL 148 N 1.56 2.82 -0.29 0.71 1.01 -0.37 -0.08 120.40 125.77 1ih7 s VAL 148 Ca 0.26 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1ih7 s VAL 148 Cb -0.16 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 1ih7 s VAL 148 CO 0.10 0.37 0.09 -0.36 0.00 0.00 0.00 175.10 175.30 1ih7 s PHE 149 N 1.37 3.14 -0.15 5.22 0.40 0.28 -0.71 117.98 127.52 1ih7 s PHE 149 Ca 0.03 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 1ih7 s PHE 149 Cb -0.15 -2.27 -0.00 0.00 0.51 0.00 0.00 43.02 41.12 1ih7 s PHE 149 CO -0.06 -0.52 -0.16 0.34 0.70 0.00 0.00 175.22 175.51 1ih7 s ASP 150 N 1.54 3.57 -0.24 1.36 2.15 -0.82 -0.72 116.67 123.51 1ih7 s ASP 150 Ca 0.04 -0.49 -0.20 0.00 0.43 0.00 0.00 52.55 52.33 1ih7 s ASP 150 Cb -0.17 -1.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.89 1ih7 s ASP 150 CO 0.03 0.09 0.59 -0.22 -0.17 0.00 0.00 175.17 175.49 1ih7 s LEU 151 N 0.79 4.09 -0.04 -1.34 2.96 -0.79 -0.68 118.68 123.66 1ih7 s LEU 151 Ca -0.06 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1ih7 s LEU 151 Cb -0.15 -2.80 -0.27 0.00 0.50 0.00 0.00 46.19 43.47 1ih7 s LEU 151 CO 0.00 -0.31 0.68 -0.07 -1.32 0.00 0.00 176.35 175.33 1ih7 h LEU 152 N 8.62 0.34 -8.78 -0.68 3.38 -0.95 -3.46 115.31 113.79 1ih7 h LEU 152 Ca -0.29 -0.59 -0.65 0.00 0.09 0.00 0.00 57.88 56.45 1ih7 h LEU 152 Cb 1.13 -0.11 -0.23 0.00 0.09 0.00 0.00 40.66 41.54 1ih7 h LEU 152 CO 0.76 1.51 -0.70 0.20 0.09 0.00 0.00 178.44 180.29 1ih7 s ASN 153 N -6.86 4.50 -0.03 -0.43 0.01 -1.25 0.33 114.94 111.22 1ih7 s ASN 153 Ca -0.12 -0.20 -0.21 0.00 -0.71 0.00 0.00 52.86 51.62 1ih7 s ASN 153 Cb 0.07 -1.69 0.04 0.00 0.41 0.00 0.00 41.25 40.08 1ih7 s ASN 153 CO 0.83 0.18 0.46 -0.55 -1.51 0.00 0.00 177.10 176.50 1ih7 s SER 154 N 0.30 -0.38 0.65 -1.22 0.15 -1.04 -4.65 113.70 107.51 1ih7 s SER 154 Ca -0.06 0.33 0.37 0.00 0.70 0.00 0.00 55.95 57.30 1ih7 s SER 154 Cb -0.15 0.40 2.07 0.00 -1.71 0.00 0.00 66.02 66.64 1ih7 s SER 154 CO 0.04 -0.52 2.21 1.55 1.20 0.00 0.00 173.24 177.72 1ih7 h PRO 155 N 3.50 0.00 -0.49 5.44 0.13 -2.02 0.35 132.00 138.92 1ih7 h PRO 155 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ih7 h PRO 155 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ih7 h PRO 155 CO 0.40 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.83 1ih7 n TYR 156 N -3.19 0.65 0.00 1.56 4.01 -1.26 -4.97 117.16 113.96 1ih7 n TYR 156 Ca -0.02 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1ih7 n TYR 156 Cb 0.19 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1ih7 n TYR 156 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ih7 n GLY 157 N 1.26 4.55 3.87 2.72 0.00 0.12 -4.86 105.19 112.86 1ih7 n GLY 157 Ca 0.16 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 1ih7 n GLY 157 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ih7 s ASN 158 N 0.00 6.41 0.26 1.61 0.02 -1.26 -2.48 114.94 119.50 1ih7 s ASN 158 Ca 0.00 0.49 0.01 0.00 -1.02 0.00 0.00 52.86 52.35 1ih7 s ASN 158 Cb 0.00 -2.08 -0.05 0.00 0.02 0.00 0.00 41.25 39.14 1ih7 s ASN 158 CO 0.00 0.40 0.10 0.68 0.02 0.00 0.00 177.10 178.30 1ih7 s VAL 159 N -0.99 0.51 0.47 1.60 -7.23 0.15 -5.00 120.40 109.92 1ih7 s VAL 159 Ca 0.15 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1ih7 s VAL 159 Cb -0.12 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1ih7 s VAL 159 CO 0.04 0.00 0.69 -1.83 -0.31 0.00 0.00 175.10 173.70 1ih7 s GLU 160 N -4.03 2.96 0.67 4.82 1.03 -1.26 -4.75 118.70 118.13 1ih7 s GLU 160 Ca 0.38 -0.54 -0.17 0.00 0.03 0.00 0.00 54.97 54.67 1ih7 s GLU 160 Cb 0.08 -2.54 0.00 0.00 -0.80 0.00 0.00 34.13 30.87 1ih7 s GLU 160 CO 0.14 -0.36 1.23 -1.21 -1.33 0.00 0.00 175.26 173.72 1ih7 s GLU 161 N -4.60 2.51 0.34 -4.83 2.02 -1.26 -4.97 118.70 107.91 1ih7 s GLU 161 Ca 0.50 1.84 -0.27 0.00 0.02 0.00 0.00 54.97 57.06 1ih7 s GLU 161 Cb -0.10 -1.87 -0.09 0.00 0.10 0.00 0.00 34.13 32.17 1ih7 s GLU 161 CO 0.38 -1.57 1.15 -0.46 0.02 0.00 0.00 175.26 174.78 1ih7 s TRP 162 N -1.73 3.28 -0.39 1.61 -0.00 -1.26 -4.99 118.94 115.45 1ih7 s TRP 162 Ca 0.77 1.60 -0.14 0.00 -0.00 0.00 0.00 56.10 58.33 1ih7 s TRP 162 Cb -0.31 -3.37 0.02 0.00 -0.00 0.00 0.00 33.47 29.80 1ih7 s TRP 162 CO 0.40 -1.04 0.27 0.45 -0.00 0.00 0.00 176.95 177.03 1ih7 s SER 163 N -0.98 6.01 0.26 5.86 0.15 -1.26 -4.93 113.70 118.81 1ih7 s SER 163 Ca 0.51 -0.85 0.24 0.00 0.70 0.00 0.00 55.95 56.55 1ih7 s SER 163 Cb -0.32 -2.12 0.96 0.00 -1.71 0.00 0.00 66.02 62.83 1ih7 s SER 163 CO 0.41 -0.40 1.73 0.00 1.20 0.00 0.00 173.24 176.17 1ih7 n ILE 164 N 5.11 0.79 0.09 6.45 3.06 -1.26 -1.89 119.36 131.70 1ih7 n ILE 164 Ca -0.11 0.15 -0.20 0.00 -2.50 0.00 0.00 62.75 60.08 1ih7 n ILE 164 Cb 0.47 -1.07 -0.15 0.00 0.54 0.00 0.00 39.64 39.43 1ih7 n ILE 164 CO 0.00 0.00 0.00 1.05 -2.50 0.00 0.00 176.55 175.10 1ih7 h GLU 165 N 0.00 0.35 -0.01 9.51 9.09 -2.02 -3.32 114.58 128.17 1ih7 h GLU 165 Ca 0.00 -0.59 -0.14 0.00 0.05 0.00 0.00 59.36 58.68 1ih7 h GLU 165 Cb 0.43 0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 27.73 1ih7 h GLU 165 CO 0.00 1.24 -0.64 0.82 0.05 0.00 0.00 179.01 180.48 1ih7 h ILE 166 N 0.09 1.44 -0.94 -1.06 2.04 -1.88 -3.27 117.51 113.94 1ih7 h ILE 166 Ca -0.25 -2.16 0.06 0.00 1.00 0.00 0.00 64.86 63.51 1ih7 h ILE 166 Cb 2.06 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 40.23 1ih7 h ILE 166 CO 0.19 0.62 0.60 0.00 0.00 0.00 0.00 178.15 179.57 1ih7 h ALA 167 N 1.31 1.30 -0.09 1.87 0.00 -1.47 -3.01 119.26 119.17 1ih7 h ALA 167 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1ih7 h ALA 167 Cb 1.14 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ih7 h ALA 167 CO 0.09 0.39 -0.76 0.00 0.00 0.00 0.00 179.25 178.96 1ih7 h ALA 168 N 1.43 0.21 -2.28 0.00 0.00 -1.67 0.35 119.26 117.30 1ih7 h ALA 168 Ca 0.41 -0.60 -0.59 0.00 0.00 0.00 0.00 54.91 54.13 1ih7 h ALA 168 Cb 0.15 0.01 0.17 0.00 0.00 0.00 0.00 17.79 18.13 1ih7 h ALA 168 CO -0.17 0.57 -0.69 1.63 0.00 0.00 0.00 179.25 180.59 1ih7 n LYS 169 N -4.02 0.31 -1.13 0.00 5.02 -1.16 -3.99 118.16 113.19 1ih7 n LYS 169 Ca -0.09 0.12 -0.29 0.00 -2.02 0.00 0.00 58.31 56.04 1ih7 n LYS 169 Cb 0.74 -1.41 0.18 0.00 -0.02 0.00 0.00 35.03 34.52 1ih7 n LYS 169 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ih7 s LEU 170 N 2.48 1.55 0.16 -0.35 2.01 -1.26 -1.89 118.68 121.38 1ih7 s LEU 170 Ca 0.64 1.20 -0.19 0.00 0.01 0.00 0.00 54.13 55.79 1ih7 s LEU 170 Cb -0.48 -3.37 0.06 0.00 0.01 0.00 0.00 46.19 42.42 1ih7 s LEU 170 CO 0.59 -3.21 1.66 1.56 1.01 0.00 0.00 176.35 177.97 1ih7 h GLN 171 N -1.94 -0.06 -0.40 1.70 1.08 -1.93 0.21 115.11 113.77 1ih7 h GLN 171 Ca -0.55 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1ih7 h GLN 171 Cb 1.33 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.75 1ih7 h GLN 171 CO 0.57 -0.04 0.25 1.05 -0.95 0.00 0.00 178.83 179.71 1ih7 h GLU 172 N -0.06 0.53 0.00 1.46 9.09 -1.92 0.17 114.58 123.84 1ih7 h GLU 172 Ca 0.17 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1ih7 h GLU 172 Cb 0.31 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 1ih7 h GLU 172 CO -0.38 0.36 0.00 1.04 0.05 0.00 0.00 179.01 180.08 1ih7 n GLN 173 N -4.47 0.91 -2.34 1.06 3.00 -0.83 -4.81 117.38 109.90 1ih7 n GLN 173 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.94 1ih7 n GLN 173 Cb 0.07 -1.07 0.01 0.00 0.00 0.00 0.00 30.24 29.24 1ih7 n GLN 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ih7 n GLY 174 N 0.47 0.17 2.30 1.08 0.00 0.60 -4.88 105.19 104.93 1ih7 n GLY 174 Ca 0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1ih7 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ih7 n GLY 175 N -1.01 2.20 0.00 -0.02 0.00 0.66 -4.94 105.19 102.08 1ih7 n GLY 175 Ca -0.06 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 43.80 1ih7 n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ih7 n ASP 176 N -2.41 0.48 -3.32 1.61 8.00 -1.10 -4.26 116.55 115.54 1ih7 n ASP 176 Ca 0.07 -0.73 -0.16 0.00 0.71 0.00 0.00 54.79 54.68 1ih7 n ASP 176 Cb 0.36 1.00 0.08 0.00 -0.02 0.00 0.00 41.12 42.54 1ih7 n ASP 176 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ih7 n GLU 177 N -1.24 -4.56 -2.56 -1.24 1.02 0.85 -4.94 120.64 107.97 1ih7 n GLU 177 Ca 0.02 0.85 -0.43 0.00 -0.02 0.00 0.00 57.16 57.58 1ih7 n GLU 177 Cb 0.15 -5.81 -0.02 0.00 -0.02 0.00 0.00 31.44 25.74 1ih7 n GLU 177 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ih7 s VAL 178 N -3.37 4.50 0.04 2.62 1.01 0.87 -4.93 120.40 121.15 1ih7 s VAL 178 Ca 0.21 1.81 -0.34 0.00 0.00 0.00 0.00 61.98 63.66 1ih7 s VAL 178 Cb -0.03 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 32.01 1ih7 s VAL 178 CO 0.73 -0.12 0.86 -2.65 0.00 0.00 0.00 175.10 173.92 1ih7 n PRO 179 N 6.12 0.00 0.23 2.72 -0.02 -1.26 -4.53 135.00 138.27 1ih7 n PRO 179 Ca 0.12 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.68 1ih7 n PRO 179 Cb 0.46 -1.27 0.61 0.00 -0.02 0.00 0.00 33.50 33.28 1ih7 n PRO 179 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ih7 h SER 180 N 2.33 0.05 0.03 2.55 4.64 -1.94 -2.60 113.55 118.60 1ih7 h SER 180 Ca -0.42 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1ih7 h SER 180 Cb 1.31 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1ih7 h SER 180 CO 0.58 0.04 -0.14 1.05 -0.87 0.00 0.00 176.83 177.49 1ih7 h GLU 181 N 0.06 0.24 -0.00 4.77 9.09 -2.03 -3.13 114.58 123.58 1ih7 h GLU 181 Ca 0.02 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.37 1ih7 h GLU 181 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 1ih7 h GLU 181 CO -0.00 0.40 -0.86 0.44 0.05 0.00 0.00 179.01 179.04 1ih7 n ILE 182 N -4.26 0.00 -0.34 -1.06 -5.35 -1.00 -4.51 119.36 102.84 1ih7 n ILE 182 Ca -0.01 -0.07 0.10 0.00 -0.27 0.00 0.00 62.75 62.51 1ih7 n ILE 182 Cb 0.28 1.06 0.28 0.00 -1.74 0.00 0.00 39.64 39.52 1ih7 n ILE 182 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1ih7 h ILE 183 N 0.66 0.76 -0.00 7.28 1.08 -1.45 0.10 117.51 125.94 1ih7 h ILE 183 Ca 0.00 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1ih7 h ILE 183 Cb 0.57 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1ih7 h ILE 183 CO 0.00 0.14 -0.08 0.47 -0.69 0.00 0.00 178.15 178.00 1ih7 n ASP 184 N -4.76 0.32 -1.28 1.72 8.00 -1.26 -3.43 116.55 115.86 1ih7 n ASP 184 Ca 0.21 -0.47 0.11 0.00 0.71 0.00 0.00 54.79 55.35 1ih7 n ASP 184 Cb 0.49 -0.13 0.31 0.00 -0.02 0.00 0.00 41.12 41.77 1ih7 n ASP 184 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ih7 n LYS 185 N -1.05 2.61 -3.60 -1.24 5.02 0.36 -4.93 118.16 115.32 1ih7 n LYS 185 Ca 0.15 -2.50 -0.36 0.00 -2.02 0.00 0.00 58.31 53.57 1ih7 n LYS 185 Cb 0.26 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.65 1ih7 n LYS 185 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ih7 s ILE 186 N -1.09 5.34 -0.39 -0.18 1.01 -1.19 -0.53 121.20 124.17 1ih7 s ILE 186 Ca 0.46 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.47 1ih7 s ILE 186 Cb 0.24 -3.57 0.10 0.00 0.01 0.00 0.00 42.46 39.25 1ih7 s ILE 186 CO 0.32 0.38 0.16 -0.63 0.00 0.00 0.00 174.94 175.17 1ih7 s ILE 187 N 0.66 3.19 -0.12 2.92 -1.09 -0.24 -4.95 121.20 121.56 1ih7 s ILE 187 Ca 0.12 -1.97 -0.19 0.00 -2.23 0.00 0.00 60.65 56.39 1ih7 s ILE 187 Cb -0.13 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1ih7 s ILE 187 CO 0.03 -0.60 0.51 -0.47 -1.23 0.00 0.00 174.94 173.18 1ih7 s TYR 188 N 1.15 3.51 -0.26 3.97 6.14 -1.26 -1.24 117.35 129.36 1ih7 s TYR 188 Ca 0.06 0.92 -0.01 0.00 0.64 0.00 0.00 57.07 58.69 1ih7 s TYR 188 Cb -0.22 -2.59 0.08 0.00 0.42 0.00 0.00 41.96 39.65 1ih7 s TYR 188 CO -0.04 0.14 0.04 -1.64 0.64 0.00 0.00 175.55 174.69 1ih7 s MET 189 N 0.72 0.90 0.38 4.97 -1.94 0.12 -4.97 119.30 119.47 1ih7 s MET 189 Ca 0.27 -0.85 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 1ih7 s MET 189 Cb -0.15 -2.19 -0.10 0.00 2.01 0.00 0.00 34.83 34.40 1ih7 s MET 189 CO 0.11 -0.79 0.85 -2.14 -0.01 0.00 0.00 175.02 173.04 1ih7 s PRO 190 N 1.64 4.11 0.02 2.03 0.02 -1.26 -1.94 135.00 139.61 1ih7 s PRO 190 Ca 0.03 0.89 0.01 0.00 0.02 0.00 0.00 61.00 61.95 1ih7 s PRO 190 Cb -0.18 -2.30 -0.01 0.00 0.02 0.00 0.00 34.50 32.03 1ih7 s PRO 190 CO -0.15 0.05 -0.04 -0.06 -0.33 0.00 0.00 177.00 176.48 1ih7 s PHE 191 N -2.10 0.32 -0.19 6.54 0.40 0.14 -4.90 117.98 118.19 1ih7 s PHE 191 Ca 0.58 -0.34 0.20 0.00 -0.60 0.00 0.00 56.93 56.77 1ih7 s PHE 191 Cb -0.10 -0.21 -0.05 0.00 0.51 0.00 0.00 43.02 43.18 1ih7 s PHE 191 CO 0.16 -0.10 0.98 -0.44 0.70 0.00 0.00 175.22 176.52 1ih7 h ASP 192 N 5.15 0.00 -4.93 1.36 3.32 -1.94 0.17 116.42 119.54 1ih7 h ASP 192 Ca -0.30 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.59 1ih7 h ASP 192 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 1ih7 h ASP 192 CO 0.44 0.27 -0.58 0.54 -1.72 0.00 0.00 179.24 178.19 1ih7 s ASN 193 N -5.60 0.11 0.30 6.45 4.22 -1.26 -3.87 114.94 115.29 1ih7 s ASN 193 Ca -0.01 -0.31 -0.00 0.00 -2.14 0.00 0.00 52.86 50.39 1ih7 s ASN 193 Cb 0.09 0.16 0.50 0.00 1.28 0.00 0.00 41.25 43.28 1ih7 s ASN 193 CO 0.79 -0.33 1.94 -0.08 -2.04 0.00 0.00 177.10 177.38 1ih7 h GLU 194 N 4.49 1.03 -0.58 3.55 4.81 -1.91 -2.68 114.58 123.30 1ih7 h GLU 194 Ca -0.31 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1ih7 h GLU 194 Cb 1.20 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1ih7 h GLU 194 CO 0.41 0.68 0.34 0.87 -0.73 0.00 0.00 179.01 180.59 1ih7 h LYS 195 N 1.07 0.65 -0.52 1.92 1.57 -1.97 0.66 116.57 119.95 1ih7 h LYS 195 Ca 0.35 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1ih7 h LYS 195 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1ih7 h LYS 195 CO -0.11 0.43 -0.11 0.93 -0.57 0.00 0.00 179.45 180.02 1ih7 h GLU 196 N 0.67 0.97 0.49 3.15 3.07 -1.94 -1.22 114.58 119.77 1ih7 h GLU 196 Ca 0.24 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1ih7 h GLU 196 Cb 0.05 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1ih7 h GLU 196 CO -0.11 1.02 -0.40 1.25 -1.40 0.00 0.00 179.01 179.37 1ih7 h LEU 197 N 0.87 -1.06 -1.10 1.33 7.12 -1.07 -1.44 115.31 119.95 1ih7 h LEU 197 Ca 0.14 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.19 1ih7 h LEU 197 Cb 0.66 0.34 -0.03 0.00 -0.53 0.00 0.00 40.66 41.10 1ih7 h LEU 197 CO 0.05 -0.58 0.24 -0.07 -0.13 0.00 0.00 178.44 177.95 1ih7 h LEU 198 N -0.88 0.80 -0.74 2.25 3.38 -0.83 -0.95 115.31 118.34 1ih7 h LEU 198 Ca -0.05 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1ih7 h LEU 198 Cb 0.76 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1ih7 h LEU 198 CO -0.01 0.72 -0.44 0.24 0.09 0.00 0.00 178.44 179.04 1ih7 h MET 199 N 0.86 0.44 -0.13 1.13 2.86 -1.12 0.29 114.93 119.27 1ih7 h MET 199 Ca 0.20 -0.23 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 1ih7 h MET 199 Cb 0.17 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1ih7 h MET 199 CO -0.02 0.79 -0.69 0.93 1.06 0.00 0.00 176.91 178.99 1ih7 h GLU 200 N 0.36 0.53 -0.44 1.72 4.39 -0.94 -1.81 114.58 118.39 1ih7 h GLU 200 Ca 0.03 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1ih7 h GLU 200 Cb 0.91 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1ih7 h GLU 200 CO 0.08 1.03 0.20 -0.92 -1.16 0.00 0.00 179.01 178.24 1ih7 h TYR 201 N 0.38 0.64 -0.87 4.33 3.20 -0.89 0.33 116.97 124.08 1ih7 h TYR 201 Ca -0.02 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1ih7 h TYR 201 Cb 1.27 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 1ih7 h TYR 201 CO 0.05 0.53 0.49 1.25 -1.64 0.00 0.00 178.16 178.84 1ih7 h LEU 202 N 0.56 1.08 -0.41 2.82 5.85 -0.82 0.38 115.31 124.78 1ih7 h LEU 202 Ca 0.15 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1ih7 h LEU 202 Cb 0.14 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ih7 h LEU 202 CO -0.02 0.86 -0.11 0.78 -0.34 0.00 0.00 178.44 179.62 1ih7 h ASN 203 N 1.21 0.80 -0.81 1.25 2.35 -0.98 -2.23 115.58 117.17 1ih7 h ASN 203 Ca 0.31 -0.37 0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1ih7 h ASN 203 Cb 0.01 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.10 1ih7 h ASN 203 CO -0.05 0.98 0.47 0.15 -1.65 0.00 0.00 177.43 177.33 1ih7 h PHE 204 N 0.61 0.86 -0.69 1.19 3.57 -0.46 -2.03 116.94 120.00 1ih7 h PHE 204 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1ih7 h PHE 204 Cb 0.63 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1ih7 h PHE 204 CO 0.05 0.38 0.34 2.35 -2.23 0.00 0.00 178.31 179.21 1ih7 h TRP 205 N 0.82 0.97 0.00 0.41 2.91 -0.62 -1.08 115.95 119.37 1ih7 h TRP 205 Ca 0.38 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.32 1ih7 h TRP 205 Cb 0.29 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.63 1ih7 h TRP 205 CO -0.06 0.71 -0.18 1.96 -1.03 0.00 0.00 178.44 179.85 1ih7 h GLN 206 N 0.95 0.00 0.03 2.65 1.08 -0.78 -0.68 115.11 118.36 1ih7 h GLN 206 Ca 0.24 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.18 1ih7 h GLN 206 Cb 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1ih7 h GLN 206 CO -0.03 0.18 -1.36 1.96 -0.95 0.00 0.00 178.83 178.62 1ih7 h GLN 207 N 0.00 0.06 -2.15 1.46 1.08 -1.01 -3.38 115.11 111.17 1ih7 h GLN 207 Ca -0.00 -0.10 -0.55 0.00 -1.45 0.00 0.00 58.65 56.55 1ih7 h GLN 207 Cb 0.34 0.04 -0.41 0.00 -0.05 0.00 0.00 27.48 27.40 1ih7 h GLN 207 CO 0.02 0.86 -0.88 1.63 -0.95 0.00 0.00 178.83 179.51 1ih7 n LYS 208 N -3.27 2.16 -1.91 1.46 5.02 -0.46 -5.08 118.16 116.08 1ih7 n LYS 208 Ca -0.10 -4.18 -0.42 0.00 -2.02 0.00 0.00 58.31 51.59 1ih7 n LYS 208 Cb 1.00 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1ih7 n LYS 208 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ih7 s THR 209 N -3.34 3.33 0.51 -0.18 2.01 -0.28 -4.77 115.64 112.92 1ih7 s THR 209 Ca 0.44 0.50 -0.23 0.00 0.31 0.00 0.00 61.69 62.71 1ih7 s THR 209 Cb 0.29 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 1ih7 s THR 209 CO -0.11 -0.04 1.35 -2.84 -0.69 0.00 0.00 174.62 172.30 1ih7 s PRO 210 N 3.84 3.36 -0.23 4.92 0.02 -1.26 -4.90 135.00 140.75 1ih7 s PRO 210 Ca 0.77 2.21 -0.16 0.00 0.02 0.00 0.00 61.00 63.84 1ih7 s PRO 210 Cb -0.37 -2.38 -0.12 0.00 0.02 0.00 0.00 34.50 31.65 1ih7 s PRO 210 CO 0.33 -1.01 -0.20 0.28 -0.33 0.00 0.00 177.00 176.07 1ih7 n VAL 211 N -0.74 1.51 -3.96 3.83 0.31 -0.04 -4.77 118.33 114.47 1ih7 n VAL 211 Ca 0.09 -0.15 -0.35 0.00 -0.01 0.00 0.00 64.34 63.92 1ih7 n VAL 211 Cb 0.45 -2.05 -0.13 0.00 -0.91 0.00 0.00 33.84 31.19 1ih7 n VAL 211 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ih7 s ILE 212 N -2.52 3.89 -0.24 2.52 1.01 -0.98 -1.10 121.20 123.77 1ih7 s ILE 212 Ca -0.32 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 1ih7 s ILE 212 Cb 0.10 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1ih7 s ILE 212 CO 0.48 0.41 0.01 -0.22 0.00 0.00 0.00 174.94 175.62 1ih7 s LEU 213 N 1.25 3.25 0.00 2.97 2.96 -0.31 -0.86 118.68 127.94 1ih7 s LEU 213 Ca 0.04 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1ih7 s LEU 213 Cb -0.15 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 1ih7 s LEU 213 CO 0.01 -0.06 0.03 1.07 -1.32 0.00 0.00 176.35 176.07 1ih7 n THR 214 N 4.84 0.00 0.00 3.68 5.66 0.53 -0.81 114.28 128.18 1ih7 n THR 214 Ca -0.17 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1ih7 n THR 214 Cb 0.50 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1ih7 n THR 214 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ih7 n GLY 215 N 0.72 1.70 3.64 1.09 0.00 -1.26 -2.02 105.19 109.06 1ih7 n GLY 215 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1ih7 n GLY 215 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ih7 s TRP 216 N -1.34 3.32 -1.68 1.61 -0.11 -1.26 -0.74 118.94 118.74 1ih7 s TRP 216 Ca 0.00 1.16 0.00 0.00 1.22 0.00 0.00 56.10 58.48 1ih7 s TRP 216 Cb 0.00 -3.06 0.00 0.00 -1.50 0.00 0.00 33.47 28.91 1ih7 s TRP 216 CO 0.00 -0.40 0.00 0.09 -4.62 0.00 0.00 176.95 172.02 1ih7 n ASN 217 N 5.99 -4.93 0.08 5.86 4.13 -1.26 -4.90 115.26 120.23 1ih7 n ASN 217 Ca 0.06 0.35 0.04 0.00 1.68 0.00 0.00 54.58 56.71 1ih7 n ASN 217 Cb 0.47 -3.89 0.46 0.00 -1.54 0.00 0.00 39.78 35.29 1ih7 n ASN 217 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1ih7 h VAL 218 N 0.00 1.10 -0.01 2.41 2.07 -1.92 -2.16 116.25 117.74 1ih7 h VAL 218 Ca -0.34 -0.28 -0.19 0.00 0.82 0.00 0.00 66.70 66.71 1ih7 h VAL 218 Cb 1.09 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1ih7 h VAL 218 CO 0.48 0.11 -0.84 -0.08 0.02 0.00 0.00 177.57 177.26 1ih7 h GLU 219 N 0.36 0.20 0.00 1.57 4.81 -1.90 -1.26 114.58 118.37 1ih7 h GLU 219 Ca 0.09 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1ih7 h GLU 219 Cb 0.05 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ih7 h GLU 219 CO -0.01 0.93 -1.10 -1.13 -0.73 0.00 0.00 179.01 176.97 1ih7 n SER 220 N -3.69 0.62 0.03 1.04 3.41 -1.13 -4.56 113.62 109.34 1ih7 n SER 220 Ca -0.03 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ih7 n SER 220 Cb 0.78 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 1ih7 n SER 220 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1ih7 n PHE 221 N -2.25 -0.39 -0.09 7.33 -0.00 -0.83 -4.85 117.46 116.39 1ih7 n PHE 221 Ca 0.01 0.07 -0.08 0.00 -0.00 0.00 0.00 57.45 57.44 1ih7 n PHE 221 Cb 0.49 0.25 -0.02 0.00 -0.00 0.00 0.00 39.48 40.20 1ih7 n PHE 221 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1ih7 h ASP 222 N 0.00 -1.01 0.31 -2.13 3.32 -1.65 -0.50 116.42 114.76 1ih7 h ASP 222 Ca 0.00 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1ih7 h ASP 222 Cb 0.00 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1ih7 h ASP 222 CO 0.00 -0.32 -0.15 0.40 -1.72 0.00 0.00 179.24 177.45 1ih7 h ILE 223 N -0.28 0.72 -0.88 0.35 2.04 -1.53 -1.65 117.51 116.28 1ih7 h ILE 223 Ca 0.15 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1ih7 h ILE 223 Cb 0.53 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1ih7 h ILE 223 CO -0.48 0.08 0.55 -0.65 0.00 0.00 0.00 178.15 177.65 1ih7 h PRO 224 N -0.63 0.96 -0.11 2.37 0.11 -1.76 -0.76 132.00 132.17 1ih7 h PRO 224 Ca -0.04 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1ih7 h PRO 224 Cb 0.45 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1ih7 h PRO 224 CO 0.07 0.63 0.00 -0.92 -0.21 0.00 0.00 178.00 177.57 1ih7 h TYR 225 N 0.98 0.21 -0.47 0.65 5.03 -1.03 -0.39 116.97 121.96 1ih7 h TYR 225 Ca 0.39 -0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.56 1ih7 h TYR 225 Cb 0.20 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1ih7 h TYR 225 CO -0.03 0.43 -0.14 -0.24 -1.32 0.00 0.00 178.16 176.86 1ih7 h VAL 226 N -0.08 1.27 -0.04 1.81 3.04 -1.10 0.20 116.25 121.35 1ih7 h VAL 226 Ca 0.03 -1.26 -0.00 0.00 -1.01 0.00 0.00 66.70 64.46 1ih7 h VAL 226 Cb 0.34 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1ih7 h VAL 226 CO 0.00 0.43 0.02 0.22 -1.01 0.00 0.00 177.57 177.24 1ih7 h TYR 227 N 0.79 0.05 -0.22 3.17 3.20 -1.10 -1.62 116.97 121.24 1ih7 h TYR 227 Ca 0.12 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1ih7 h TYR 227 Cb 0.67 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1ih7 h TYR 227 CO 0.04 0.14 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.46 1ih7 h ASN 228 N -0.05 0.46 -0.42 -2.11 2.35 -0.92 -1.18 115.58 113.70 1ih7 h ASN 228 Ca 0.01 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.51 1ih7 h ASN 228 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1ih7 h ASN 228 CO -0.00 0.76 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.41 1ih7 h ARG 229 N 0.38 0.77 -0.19 0.81 9.65 -0.48 -0.04 114.38 125.29 1ih7 h ARG 229 Ca 0.05 -0.27 -0.11 0.00 -1.10 0.00 0.00 59.98 58.55 1ih7 h ARG 229 Cb 0.76 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 1ih7 h ARG 229 CO 0.06 0.87 -0.36 0.82 2.80 0.00 0.00 179.97 184.15 1ih7 h ILE 230 N 0.60 1.29 -0.34 1.20 2.04 -1.21 -1.68 117.51 119.40 1ih7 h ILE 230 Ca 0.11 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 1ih7 h ILE 230 Cb 0.55 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1ih7 h ILE 230 CO 0.03 0.45 0.03 0.50 0.00 0.00 0.00 178.15 179.16 1ih7 h LYS 231 N 0.34 0.59 -0.48 2.37 3.64 -0.87 0.83 116.57 122.99 1ih7 h LYS 231 Ca 0.04 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 1ih7 h LYS 231 Cb 0.80 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1ih7 h LYS 231 CO 0.06 0.69 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.88 1ih7 h ASN 232 N 0.41 0.91 0.15 4.20 -0.26 -0.85 0.76 115.58 120.91 1ih7 h ASN 232 Ca 0.10 -0.30 -0.26 0.00 -0.56 0.00 0.00 56.30 55.27 1ih7 h ASN 232 Cb 0.41 -0.25 0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1ih7 h ASN 232 CO 0.01 1.05 -1.25 0.40 -1.06 0.00 0.00 177.43 176.59 1ih7 h ILE 233 N 0.81 1.23 0.00 2.81 2.04 -1.27 -3.40 117.51 119.73 1ih7 h ILE 233 Ca 0.12 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1ih7 h ILE 233 Cb 0.68 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1ih7 h ILE 233 CO 0.05 0.74 -0.42 0.49 0.00 0.00 0.00 178.15 179.01 1ih7 n PHE 234 N -3.93 0.00 0.00 1.37 3.01 0.27 -5.09 117.46 113.09 1ih7 n PHE 234 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1ih7 n PHE 234 Cb 0.92 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.39 1ih7 n PHE 234 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ih7 n GLY 235 N 1.21 2.39 0.34 1.37 0.00 0.26 -4.54 105.19 106.23 1ih7 n GLY 235 Ca 0.02 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.43 1ih7 n GLY 235 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ih7 h GLU 236 N 0.00 0.66 -0.91 1.61 4.81 -1.86 -1.26 114.58 117.62 1ih7 h GLU 236 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ih7 h GLU 236 Cb 0.00 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1ih7 h GLU 236 CO 0.00 0.43 0.60 0.77 -0.73 0.00 0.00 179.01 180.08 1ih7 h SER 237 N 0.68 1.01 -0.30 1.04 0.02 -1.94 -1.15 113.55 112.91 1ih7 h SER 237 Ca 0.59 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.40 1ih7 h SER 237 Cb 0.99 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 1ih7 h SER 237 CO -0.42 0.71 -0.29 0.74 -1.14 0.00 0.00 176.83 176.44 1ih7 h THR 238 N 1.18 1.30 -0.67 -2.27 2.02 -1.48 -3.01 112.91 109.97 1ih7 h THR 238 Ca 0.35 -1.45 0.05 0.00 0.77 0.00 0.00 66.41 66.12 1ih7 h THR 238 Cb -0.06 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1ih7 h THR 238 CO -0.09 0.47 0.45 0.00 0.37 0.00 0.00 175.52 176.71 1ih7 h ALA 239 N 0.72 1.68 0.00 6.16 0.00 -0.98 -0.65 119.26 126.19 1ih7 h ALA 239 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ih7 h ALA 239 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ih7 h ALA 239 CO 0.07 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.18 1ih7 n LYS 240 N -4.47 0.12 0.00 0.00 5.02 -0.50 -1.96 118.16 116.38 1ih7 n LYS 240 Ca 0.09 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.71 1ih7 n LYS 240 Cb 0.18 -1.50 0.65 0.00 -0.02 0.00 0.00 35.03 34.34 1ih7 n LYS 240 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ih7 n ARG 241 N -1.33 0.43 0.04 1.97 1.74 -0.25 -2.17 116.66 117.08 1ih7 n ARG 241 Ca 0.05 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 1ih7 n ARG 241 Cb 0.10 -1.50 0.48 0.00 -1.02 0.00 0.00 32.46 30.52 1ih7 n ARG 241 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ih7 n LEU 242 N -1.24 0.24 -4.54 0.55 4.77 -0.83 -4.58 117.00 111.38 1ih7 n LEU 242 Ca 0.13 0.54 -0.34 0.00 -0.03 0.00 0.00 56.01 56.31 1ih7 n LEU 242 Cb 0.18 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 1ih7 n LEU 242 CO 0.18 -0.17 -0.33 -0.55 -1.33 0.00 0.00 177.39 175.19 1ih7 s SER 243 N -3.45 5.00 0.55 -1.43 0.15 -0.92 -4.98 113.70 108.62 1ih7 s SER 243 Ca 0.10 -0.07 0.37 0.00 0.70 0.00 0.00 55.95 57.05 1ih7 s SER 243 Cb 0.14 -1.81 1.89 0.00 -1.71 0.00 0.00 66.02 64.53 1ih7 s SER 243 CO 0.46 0.18 2.12 1.55 1.20 0.00 0.00 173.24 178.74 1ih7 h PRO 244 N 6.64 0.00 -0.39 5.44 0.13 -1.80 -1.08 132.00 140.94 1ih7 h PRO 244 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ih7 h PRO 244 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ih7 h PRO 244 CO 0.64 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.13 1ih7 n HIS 245 N -2.87 0.95 -2.60 1.56 8.25 -1.25 -4.95 115.22 114.30 1ih7 n HIS 245 Ca -0.02 -0.69 -0.14 0.00 -0.26 0.00 0.00 57.72 56.61 1ih7 n HIS 245 Cb 0.12 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.02 1ih7 n HIS 245 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ih7 n ARG 246 N 0.23 -2.50 -4.90 -0.41 5.12 -0.41 -4.95 116.66 108.85 1ih7 n ARG 246 Ca 0.19 0.59 -0.28 0.00 -1.93 0.00 0.00 57.85 56.43 1ih7 n ARG 246 Cb 0.75 -5.22 -0.16 0.00 -1.16 0.00 0.00 32.46 26.67 1ih7 n ARG 246 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ih7 s LYS 247 N -5.20 2.11 0.09 5.56 2.20 -1.26 -4.94 119.74 118.30 1ih7 s LYS 247 Ca 0.07 -0.65 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1ih7 s LYS 247 Cb -0.04 -1.74 -0.03 0.00 -1.51 0.00 0.00 37.83 34.51 1ih7 s LYS 247 CO 0.08 0.19 -0.09 -0.08 -0.36 0.00 0.00 175.35 175.09 1ih7 s THR 248 N 0.24 0.83 -0.04 3.43 -1.32 -1.26 -1.97 115.64 115.55 1ih7 s THR 248 Ca -0.10 -1.59 -0.01 0.00 -1.21 0.00 0.00 61.69 58.78 1ih7 s THR 248 Cb -0.14 -1.28 0.03 0.00 -1.51 0.00 0.00 72.50 69.60 1ih7 s THR 248 CO 0.04 -0.58 0.04 -0.60 -2.21 0.00 0.00 174.62 171.32 1ih7 s ARG 249 N -2.74 0.04 -0.32 7.08 3.52 -0.70 -5.00 118.95 120.84 1ih7 s ARG 249 Ca 0.04 0.29 -0.09 0.00 -0.13 0.00 0.00 55.73 55.84 1ih7 s ARG 249 Cb -0.03 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.84 1ih7 s ARG 249 CO -0.01 -0.29 0.14 0.08 -0.81 0.00 0.00 175.30 174.42 1ih7 s VAL 250 N 1.88 4.46 -0.18 7.11 1.01 -1.26 -0.75 120.40 132.66 1ih7 s VAL 250 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1ih7 s VAL 250 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1ih7 s VAL 250 CO -0.03 0.02 0.04 -0.75 0.00 0.00 0.00 175.10 174.39 1ih7 s LYS 251 N 1.58 3.90 -0.17 2.72 2.20 -0.43 -4.97 119.74 124.58 1ih7 s LYS 251 Ca 0.04 -0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.14 1ih7 s LYS 251 Cb -0.17 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1ih7 s LYS 251 CO 0.05 0.25 0.23 0.08 -0.36 0.00 0.00 175.35 175.60 1ih7 s VAL 252 N 0.42 5.35 -0.16 4.02 1.01 -1.26 -0.95 120.40 128.83 1ih7 s VAL 252 Ca 0.02 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 1ih7 s VAL 252 Cb -0.13 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ih7 s VAL 252 CO 0.01 0.41 0.02 -0.63 0.00 0.00 0.00 175.10 174.91 1ih7 s ILE 253 N 0.40 4.42 0.01 2.22 -1.09 0.70 -4.93 121.20 122.93 1ih7 s ILE 253 Ca 0.13 -0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.36 1ih7 s ILE 253 Cb -0.12 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 1ih7 s ILE 253 CO 0.02 0.50 0.19 -1.61 -1.23 0.00 0.00 174.94 172.81 1ih7 s GLU 254 N 0.15 3.44 0.24 2.79 2.02 -1.26 -0.22 118.70 125.86 1ih7 s GLU 254 Ca 0.02 -0.35 -0.15 0.00 0.02 0.00 0.00 54.97 54.51 1ih7 s GLU 254 Cb -0.13 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.03 1ih7 s GLU 254 CO 0.01 0.65 0.53 0.54 0.02 0.00 0.00 175.26 177.02 1ih7 s ASN 255 N -2.11 -0.15 0.35 -0.19 4.22 -0.60 -4.97 114.94 111.49 1ih7 s ASN 255 Ca 0.30 -0.79 0.16 0.00 -2.14 0.00 0.00 52.86 50.39 1ih7 s ASN 255 Cb -0.13 0.61 1.19 0.00 1.28 0.00 0.00 41.25 44.21 1ih7 s ASN 255 CO 0.21 -1.17 1.58 0.24 -2.04 0.00 0.00 177.10 175.93 1ih7 h MET 256 N 2.20 0.01 0.00 3.55 2.86 -2.05 -3.26 114.93 118.23 1ih7 h MET 256 Ca -0.25 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1ih7 h MET 256 Cb 1.25 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1ih7 h MET 256 CO 0.33 0.01 -0.52 0.66 1.06 0.00 0.00 176.91 178.45 1ih7 n TYR 257 N -5.32 0.13 -2.23 -0.22 4.01 -1.26 -5.11 117.16 107.17 1ih7 n TYR 257 Ca 0.34 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 1ih7 n TYR 257 Cb 1.15 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 1ih7 n TYR 257 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ih7 n GLY 258 N 1.52 5.48 3.15 2.72 0.00 -1.23 -5.08 105.19 111.74 1ih7 n GLY 258 Ca -0.07 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 1ih7 n GLY 258 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ih7 s SER 259 N 1.00 1.91 0.35 1.61 1.04 -1.26 -1.55 113.70 116.80 1ih7 s SER 259 Ca 0.00 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.22 1ih7 s SER 259 Cb 0.00 -0.21 -0.05 0.00 0.10 0.00 0.00 66.02 65.86 1ih7 s SER 259 CO 0.00 0.20 0.07 -0.60 0.98 0.00 0.00 173.24 173.89 1ih7 s ARG 260 N -0.39 2.18 -0.04 4.02 3.52 0.70 -4.92 118.95 124.03 1ih7 s ARG 260 Ca 0.06 -1.71 0.04 0.00 -0.13 0.00 0.00 55.73 53.98 1ih7 s ARG 260 Cb -0.06 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.33 1ih7 s ARG 260 CO -0.01 0.09 -0.14 -2.00 -0.81 0.00 0.00 175.30 172.43 1ih7 s GLU 261 N -3.78 1.54 -0.14 5.12 2.12 -1.26 -0.21 118.70 122.08 1ih7 s GLU 261 Ca 0.37 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 55.20 1ih7 s GLU 261 Cb 0.00 -1.35 0.02 0.00 0.26 0.00 0.00 34.13 33.06 1ih7 s GLU 261 CO 0.21 0.18 -0.14 0.42 -0.54 0.00 0.00 175.26 175.39 1ih7 s ILE 262 N 0.15 1.53 -0.25 -3.70 1.01 -0.12 -4.85 121.20 114.97 1ih7 s ILE 262 Ca -0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1ih7 s ILE 262 Cb -0.11 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1ih7 s ILE 262 CO 0.02 0.45 0.24 -0.63 0.00 0.00 0.00 174.94 175.02 1ih7 s ILE 263 N 1.38 5.30 -0.22 2.92 1.09 -1.26 -1.31 121.20 129.09 1ih7 s ILE 263 Ca 0.02 0.32 -0.11 0.00 -1.10 0.00 0.00 60.65 59.79 1ih7 s ILE 263 Cb -0.13 -3.57 -0.05 0.00 -1.06 0.00 0.00 42.46 37.64 1ih7 s ILE 263 CO -0.08 0.28 0.16 0.28 -0.10 0.00 0.00 174.94 175.48 1ih7 s THR 264 N 1.41 5.37 -0.38 2.92 -1.32 0.07 -4.98 115.64 118.73 1ih7 s THR 264 Ca 0.10 0.22 -0.09 0.00 -1.21 0.00 0.00 61.69 60.71 1ih7 s THR 264 Cb -0.15 -3.50 0.05 0.00 -1.51 0.00 0.00 72.50 67.39 1ih7 s THR 264 CO 0.07 0.38 0.19 -0.76 -2.21 0.00 0.00 174.62 172.30 1ih7 s LEU 265 N 0.78 4.73 0.25 9.08 1.43 -1.26 -1.71 118.68 131.98 1ih7 s LEU 265 Ca 0.08 -1.18 -0.31 0.00 -1.03 0.00 0.00 54.13 51.69 1ih7 s LEU 265 Cb -0.13 -1.97 -0.12 0.00 0.03 0.00 0.00 46.19 44.00 1ih7 s LEU 265 CO 0.02 -0.41 1.62 0.49 0.23 0.00 0.00 176.35 178.30 1ih7 n PHE 266 N 4.92 2.73 -0.21 0.29 3.01 -0.83 -1.79 117.46 125.57 1ih7 n PHE 266 Ca -0.11 0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1ih7 n PHE 266 Cb 0.45 -2.61 0.00 0.00 -0.01 0.00 0.00 39.48 37.31 1ih7 n PHE 266 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ih7 n GLY 267 N 2.86 0.63 3.09 1.37 0.00 -1.26 -3.51 105.19 108.36 1ih7 n GLY 267 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1ih7 n GLY 267 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ih7 s ILE 268 N -2.45 0.96 -0.37 -0.61 1.01 -0.74 -4.82 121.20 114.19 1ih7 s ILE 268 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1ih7 s ILE 268 Cb 0.00 -0.82 0.05 0.00 0.01 0.00 0.00 42.46 41.69 1ih7 s ILE 268 CO 0.00 0.19 0.17 -0.44 0.00 0.00 0.00 174.94 174.86 1ih7 s SER 269 N -0.50 5.50 -0.15 3.58 0.01 -0.26 -4.72 113.70 117.16 1ih7 s SER 269 Ca 0.04 -1.22 -0.21 0.00 1.31 0.00 0.00 55.95 55.86 1ih7 s SER 269 Cb -0.05 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 1ih7 s SER 269 CO -0.00 -0.40 0.64 -0.69 0.41 0.00 0.00 173.24 173.20 1ih7 s VAL 270 N 1.44 5.04 -0.50 3.43 1.01 -1.26 -1.16 120.40 128.40 1ih7 s VAL 270 Ca 0.01 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.26 1ih7 s VAL 270 Cb -0.20 -3.96 0.15 0.00 0.00 0.00 0.00 36.38 32.36 1ih7 s VAL 270 CO 0.03 0.17 0.31 -0.76 0.00 0.00 0.00 175.10 174.85 1ih7 s LEU 271 N 1.49 2.99 0.07 3.92 1.43 0.01 -4.77 118.68 123.82 1ih7 s LEU 271 Ca 0.31 -2.99 -0.34 0.00 -1.03 0.00 0.00 54.13 50.09 1ih7 s LEU 271 Cb -0.16 -1.08 -0.13 0.00 0.03 0.00 0.00 46.19 44.85 1ih7 s LEU 271 CO 0.12 -0.21 1.71 -0.67 0.23 0.00 0.00 176.35 177.53 1ih7 n ASP 272 N 3.06 3.30 0.24 2.29 -0.08 -1.26 -4.28 116.55 119.82 1ih7 n ASP 272 Ca 0.15 1.04 0.10 0.00 -1.51 0.00 0.00 54.79 54.57 1ih7 n ASP 272 Cb 0.37 -1.42 0.60 0.00 2.34 0.00 0.00 41.12 43.01 1ih7 n ASP 272 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1ih7 h TYR 273 N 7.32 0.00 -0.31 -0.67 5.03 -1.29 -1.72 116.97 125.32 1ih7 h TYR 273 Ca -0.46 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 60.73 1ih7 h TYR 273 Cb 1.26 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 1ih7 h TYR 273 CO 0.73 0.19 -0.29 0.97 -1.32 0.00 0.00 178.16 178.44 1ih7 h ILE 274 N 0.00 1.28 -0.08 1.81 2.10 -1.89 0.12 117.51 120.85 1ih7 h ILE 274 Ca -0.00 -1.39 -0.24 0.00 1.08 0.00 0.00 64.86 64.31 1ih7 h ILE 274 Cb 0.50 1.35 0.01 0.00 -1.09 0.00 0.00 36.82 37.59 1ih7 h ILE 274 CO 0.02 0.45 -0.89 0.44 -1.08 0.00 0.00 178.15 177.09 1ih7 h ASP 275 N 0.55 0.90 -0.74 2.19 3.32 -1.82 -1.38 116.42 119.44 1ih7 h ASP 275 Ca 0.07 -0.65 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 1ih7 h ASP 275 Cb 0.77 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1ih7 h ASP 275 CO 0.06 1.44 0.46 0.25 -1.72 0.00 0.00 179.24 179.73 1ih7 h LEU 276 N 0.46 0.88 -0.02 1.55 5.85 -1.15 -1.13 115.31 121.75 1ih7 h LEU 276 Ca -0.08 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1ih7 h LEU 276 Cb 1.53 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ih7 h LEU 276 CO 0.18 0.67 0.01 0.22 -0.34 0.00 0.00 178.44 179.17 1ih7 h TYR 277 N 1.01 0.03 -0.36 1.25 3.20 -0.65 -1.95 116.97 119.50 1ih7 h TYR 277 Ca 0.27 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.17 1ih7 h TYR 277 Cb -0.06 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1ih7 h TYR 277 CO -0.01 0.19 0.25 0.87 -1.64 0.00 0.00 178.16 177.81 1ih7 h LYS 278 N -0.14 0.33 0.13 1.82 1.57 -0.93 -1.66 116.57 117.70 1ih7 h LYS 278 Ca 0.01 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1ih7 h LYS 278 Cb 0.17 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ih7 h LYS 278 CO -0.00 0.22 -0.77 -0.22 -0.57 0.00 0.00 179.45 178.11 1ih7 h LYS 279 N 0.34 0.28 0.02 3.15 3.64 -0.99 -3.40 116.57 119.61 1ih7 h LYS 279 Ca 0.15 -0.48 -0.30 0.00 -1.27 0.00 0.00 60.65 58.76 1ih7 h LYS 279 Cb 0.18 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1ih7 h LYS 279 CO -0.03 1.23 -1.72 0.74 -2.27 0.00 0.00 179.45 177.40 1ih7 h PHE 280 N -0.41 0.06 -3.36 1.91 0.04 -1.32 -3.46 116.94 110.39 1ih7 h PHE 280 Ca -0.14 -0.04 -0.53 0.00 2.80 0.00 0.00 57.97 60.07 1ih7 h PHE 280 Cb 1.60 -0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.81 1ih7 h PHE 280 CO 0.20 1.09 0.75 -1.54 -0.60 0.00 0.00 178.31 178.22 1ih7 s SER 281 N -6.22 6.67 -0.77 2.17 1.04 -0.63 -4.89 113.70 111.07 1ih7 s SER 281 Ca -0.06 2.64 -0.04 0.00 0.48 0.00 0.00 55.95 58.97 1ih7 s SER 281 Cb 0.08 -2.62 0.10 0.00 0.10 0.00 0.00 66.02 63.67 1ih7 s SER 281 CO 0.82 -0.69 2.60 0.49 0.98 0.00 0.00 173.24 177.44 1ih7 n PHE 282 N 2.42 2.00 -4.00 5.02 3.01 -1.26 -4.87 117.46 119.77 1ih7 n PHE 282 Ca 0.07 -2.26 -0.12 0.00 1.01 0.00 0.00 57.45 56.15 1ih7 n PHE 282 Cb 0.40 -1.52 -0.03 0.00 -0.01 0.00 0.00 39.48 38.32 1ih7 n PHE 282 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ih7 n THR 283 N 1.09 0.00 -2.68 4.37 -2.24 -1.26 -5.10 114.28 108.46 1ih7 n THR 283 Ca 0.53 -1.49 -0.08 0.00 -2.27 0.00 0.00 64.05 60.75 1ih7 n THR 283 Cb 0.43 0.87 0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1ih7 n THR 283 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ih7 n ASN 284 N -1.78 0.42 -3.95 3.42 5.03 -1.26 -5.07 115.26 112.07 1ih7 n ASN 284 Ca 0.02 -2.59 -0.40 0.00 0.87 0.00 0.00 54.58 52.48 1ih7 n ASN 284 Cb 0.46 -0.05 -0.01 0.00 -1.02 0.00 0.00 39.78 39.16 1ih7 n ASN 284 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ih7 n GLN 285 N -0.28 0.00 0.00 3.52 3.00 -1.26 -4.82 117.38 117.55 1ih7 n GLN 285 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 1ih7 n GLN 285 Cb 0.83 -0.91 0.56 0.00 0.00 0.00 0.00 30.24 30.72 1ih7 n GLN 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1ih7 n PRO 286 N 1.14 0.38 -3.68 -1.09 -0.04 -1.26 -4.73 135.00 125.72 1ih7 n PRO 286 Ca 0.12 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 1ih7 n PRO 286 Cb 0.33 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 1ih7 n PRO 286 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ih7 s SER 287 N -2.45 -0.54 -0.17 3.54 0.15 -1.26 -4.56 113.70 108.40 1ih7 s SER 287 Ca 0.23 0.96 0.15 0.00 0.70 0.00 0.00 55.95 57.99 1ih7 s SER 287 Cb 0.14 0.97 0.36 0.00 -1.71 0.00 0.00 66.02 65.79 1ih7 s SER 287 CO 0.31 -0.25 1.19 -1.22 1.20 0.00 0.00 173.24 174.47 1ih7 n TYR 288 N 2.47 0.03 -1.71 3.44 4.02 -1.26 -4.62 117.16 119.53 1ih7 n TYR 288 Ca -0.15 -1.26 -0.32 0.00 -0.01 0.00 0.00 57.90 56.16 1ih7 n TYR 288 Cb 0.56 -0.21 0.05 0.00 -0.02 0.00 0.00 39.34 39.72 1ih7 n TYR 288 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1ih7 s SER 289 N -3.04 5.21 0.26 7.72 1.04 -1.26 -4.83 113.70 118.80 1ih7 s SER 289 Ca 0.35 1.86 -0.04 0.00 0.48 0.00 0.00 55.95 58.61 1ih7 s SER 289 Cb 0.33 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 64.26 1ih7 s SER 289 CO -0.02 -1.56 1.92 0.25 0.98 0.00 0.00 173.24 174.81 1ih7 h LEU 290 N -0.19 1.08 -0.12 2.42 5.85 -1.99 -2.08 115.31 120.29 1ih7 h LEU 290 Ca -0.46 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1ih7 h LEU 290 Cb 1.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1ih7 h LEU 290 CO 0.55 0.76 0.07 0.44 -0.34 0.00 0.00 178.44 179.91 1ih7 h ASP 291 N 1.26 0.14 0.05 1.25 3.32 -1.99 0.65 116.42 121.11 1ih7 h ASP 291 Ca 0.38 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 1ih7 h ASP 291 Cb -0.05 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1ih7 h ASP 291 CO -0.11 0.17 -0.02 0.22 -1.72 0.00 0.00 179.24 177.78 1ih7 h TYR 292 N 0.10 -0.06 0.00 4.55 3.20 -1.84 -1.25 116.97 121.68 1ih7 h TYR 292 Ca 0.04 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1ih7 h TYR 292 Cb 0.06 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1ih7 h TYR 292 CO -0.05 0.02 -0.29 0.82 -1.64 0.00 0.00 178.16 177.02 1ih7 h ILE 293 N -0.12 1.15 -0.24 1.81 5.03 -1.36 -1.72 117.51 122.06 1ih7 h ILE 293 Ca -0.01 -1.00 -0.05 0.00 -0.12 0.00 0.00 64.86 63.68 1ih7 h ILE 293 Cb 0.10 1.55 -0.01 0.00 -3.03 0.00 0.00 36.82 35.43 1ih7 h ILE 293 CO 0.01 0.28 -0.05 0.28 -0.68 0.00 0.00 178.15 177.99 1ih7 h SER 294 N 0.00 0.46 -0.77 1.72 0.02 -0.47 0.84 113.55 115.35 1ih7 h SER 294 Ca -0.00 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1ih7 h SER 294 Cb 0.53 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1ih7 h SER 294 CO 0.04 0.71 0.42 -0.08 -1.14 0.00 0.00 176.83 176.78 1ih7 h GLU 295 N 0.21 1.08 -0.26 3.45 4.81 -0.96 0.43 114.58 123.33 1ih7 h GLU 295 Ca 0.06 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1ih7 h GLU 295 Cb 0.51 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1ih7 h GLU 295 CO 0.02 0.80 -0.01 0.35 -0.73 0.00 0.00 179.01 179.44 1ih7 h PHE 296 N 1.07 0.52 0.00 0.92 3.57 -1.17 -0.53 116.94 121.32 1ih7 h PHE 296 Ca 0.27 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1ih7 h PHE 296 Cb 0.04 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1ih7 h PHE 296 CO 0.00 0.64 -0.60 0.93 -2.23 0.00 0.00 178.31 177.05 1ih7 h GLU 297 N 0.25 0.00 0.00 1.11 4.39 -0.68 -3.39 114.58 116.26 1ih7 h GLU 297 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ih7 h GLU 297 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1ih7 h GLU 297 CO 0.02 0.84 -0.73 1.28 -1.16 0.00 0.00 179.01 179.25 1ih7 n LEU 298 N -4.55 0.62 -3.57 1.33 4.77 0.14 -4.98 117.00 110.77 1ih7 n LEU 298 Ca -0.19 -0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.56 1ih7 n LEU 298 Cb 0.51 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1ih7 n LEU 298 CO 0.23 0.07 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.12 1ih7 n ASN 299 N -1.77 -3.94 -4.15 -1.43 2.85 -0.21 -4.96 115.26 101.65 1ih7 n ASN 299 Ca 0.04 -0.85 -0.22 0.00 -0.11 0.00 0.00 54.58 53.45 1ih7 n ASN 299 Cb 0.39 -4.19 -0.14 0.00 1.24 0.00 0.00 39.78 37.08 1ih7 n ASN 299 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ih7 s VAL 300 N -3.52 1.20 0.40 3.44 -7.23 -1.25 -4.99 120.40 108.45 1ih7 s VAL 300 Ca 0.27 -0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 59.27 1ih7 s VAL 300 Cb -0.07 -1.05 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1ih7 s VAL 300 CO 0.81 0.13 1.24 -0.83 -0.31 0.00 0.00 175.10 176.14 1ih7 s GLY 301 N -0.90 2.91 0.64 2.32 0.00 -1.26 -3.76 107.32 107.28 1ih7 s GLY 301 Ca 0.04 1.11 -0.18 0.00 0.00 0.00 0.00 44.72 45.69 1ih7 s GLY 301 CO 0.01 1.67 1.21 0.58 0.00 0.00 0.00 173.10 176.56 1ih7 n LYS 302 N 0.14 1.03 -1.68 2.90 2.85 -1.26 -4.87 118.16 117.27 1ih7 n LYS 302 Ca 0.04 0.41 -0.44 0.00 -1.05 0.00 0.00 58.31 57.26 1ih7 n LYS 302 Cb 0.45 -2.44 -0.03 0.00 -0.65 0.00 0.00 35.03 32.36 1ih7 n LYS 302 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ih7 n LEU 303 N -1.66 3.35 -4.62 -5.58 7.99 -1.26 -4.97 117.00 110.24 1ih7 n LEU 303 Ca 0.15 1.14 -0.34 0.00 -0.01 0.00 0.00 56.01 56.95 1ih7 n LEU 303 Cb 0.48 -1.46 -0.10 0.00 -0.11 0.00 0.00 43.42 42.23 1ih7 n LEU 303 CO 0.47 -0.35 -0.27 -0.54 -1.51 0.00 0.00 177.39 175.20 1ih7 s LYS 304 N -0.31 3.83 -0.28 3.23 -0.14 -1.26 -5.08 119.74 119.73 1ih7 s LYS 304 Ca 0.68 -0.37 -0.16 0.00 -1.36 0.00 0.00 55.97 54.77 1ih7 s LYS 304 Cb -0.62 -3.13 0.10 0.00 -1.68 0.00 0.00 37.83 32.50 1ih7 s LYS 304 CO 0.48 0.32 0.75 1.52 -0.76 0.00 0.00 175.35 177.67 1ih7 s TYR 305 N 0.21 -0.98 0.55 3.18 -0.85 -1.26 -5.15 117.35 113.06 1ih7 s TYR 305 Ca 0.03 1.93 -0.20 0.00 -0.52 0.00 0.00 57.07 58.31 1ih7 s TYR 305 Cb -0.13 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.75 1ih7 s TYR 305 CO 0.01 -0.48 1.18 -0.51 -1.52 0.00 0.00 175.55 174.22 1ih7 s ASP 306 N 1.68 5.56 0.07 -0.18 1.11 -1.26 -4.87 116.67 118.79 1ih7 s ASP 306 Ca -0.09 2.31 0.00 0.00 0.18 0.00 0.00 52.55 54.94 1ih7 s ASP 306 Cb -0.05 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1ih7 s ASP 306 CO -0.19 -1.34 0.00 0.61 1.18 0.00 0.00 175.17 175.44 1ih7 n GLY 307 N 0.36 -2.12 3.64 0.21 0.00 -1.26 -4.92 105.19 101.11 1ih7 n GLY 307 Ca 0.12 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1ih7 n GLY 307 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ih7 n PRO 308 N -2.72 0.65 0.17 1.61 -0.02 -1.26 -4.92 135.00 128.50 1ih7 n PRO 308 Ca -0.01 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.77 1ih7 n PRO 308 Cb 0.10 -2.27 0.28 0.00 -0.02 0.00 0.00 33.50 31.59 1ih7 n PRO 308 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1ih7 h ILE 309 N -0.04 1.20 0.00 4.25 -0.00 -1.92 -2.74 117.51 118.26 1ih7 h ILE 309 Ca -0.48 -1.71 0.00 0.00 -0.00 0.00 0.00 64.86 62.67 1ih7 h ILE 309 Cb 1.34 1.95 0.00 0.00 -0.00 0.00 0.00 36.82 40.11 1ih7 h ILE 309 CO 0.48 0.47 0.00 -1.54 -0.00 0.00 0.00 178.15 177.56 1ih7 n SER 310 N -3.78 0.00 0.00 2.19 3.41 -1.26 -2.72 113.62 111.46 1ih7 n SER 310 Ca -0.01 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1ih7 n SER 310 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1ih7 n SER 310 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ih7 n LYS 311 N -0.87 -0.20 -0.33 4.33 4.76 -1.04 -4.58 118.16 120.23 1ih7 n LYS 311 Ca 0.17 -0.68 -0.02 0.00 -2.87 0.00 0.00 58.31 54.91 1ih7 n LYS 311 Cb 0.08 -0.98 0.12 0.00 -1.84 0.00 0.00 35.03 32.41 1ih7 n LYS 311 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ih7 h LEU 312 N 0.00 1.09 -0.26 -0.35 7.12 -1.44 -0.98 115.31 120.50 1ih7 h LEU 312 Ca 0.00 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1ih7 h LEU 312 Cb 0.11 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.96 1ih7 h LEU 312 CO 0.00 0.83 0.12 -0.09 -0.13 0.00 0.00 178.44 179.17 1ih7 h ARG 313 N 1.26 0.37 -0.04 1.25 2.43 -1.83 0.12 114.38 117.95 1ih7 h ARG 313 Ca 0.33 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1ih7 h ARG 313 Cb -0.07 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1ih7 h ARG 313 CO -0.06 0.38 -0.03 1.05 -1.51 0.00 0.00 179.97 179.79 1ih7 h GLU 314 N 0.28 0.09 0.00 0.20 4.11 -1.86 -2.36 114.58 115.05 1ih7 h GLU 314 Ca 0.09 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.39 1ih7 h GLU 314 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ih7 h GLU 314 CO -0.01 0.54 -0.37 0.66 0.07 0.00 0.00 179.01 179.90 1ih7 h SER 315 N -0.36 0.00 0.00 3.06 4.64 -1.17 -3.40 113.55 116.33 1ih7 h SER 315 Ca 0.01 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 1ih7 h SER 315 Cb 0.52 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.47 1ih7 h SER 315 CO 0.01 0.37 -0.40 -3.20 -0.87 0.00 0.00 176.83 172.74 1ih7 n ASN 316 N -3.54 -2.52 0.03 4.97 4.05 0.41 -5.00 115.26 113.66 1ih7 n ASN 316 Ca -0.00 -3.15 0.20 0.00 0.45 0.00 0.00 54.58 52.07 1ih7 n ASN 316 Cb 0.50 1.70 0.70 0.00 1.23 0.00 0.00 39.78 43.91 1ih7 n ASN 316 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 177.26 173.47 1ih7 h HIS 317 N 3.60 0.00 -0.09 1.20 -0.00 -1.41 -1.17 115.15 117.29 1ih7 h HIS 317 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.21 1ih7 h HIS 317 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.48 1ih7 h HIS 317 CO 0.06 0.00 0.05 0.37 -0.00 0.00 0.00 177.93 178.40 1ih7 h GLN 318 N 0.00 0.12 -0.01 5.26 5.75 -1.89 -2.32 115.11 122.02 1ih7 h GLN 318 Ca 0.23 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.59 1ih7 h GLN 318 Cb 0.96 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 1ih7 h GLN 318 CO -0.00 0.17 -0.55 -0.09 -2.65 0.00 0.00 178.83 175.71 1ih7 h ARG 319 N 0.04 0.03 0.45 1.69 2.43 -1.67 -2.77 114.38 114.59 1ih7 h ARG 319 Ca 0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ih7 h ARG 319 Cb 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1ih7 h ARG 319 CO -0.00 0.58 -0.33 -0.92 -1.51 0.00 0.00 179.97 177.79 1ih7 h TYR 320 N 0.02 -0.87 -0.49 2.20 3.20 -0.94 0.68 116.97 120.77 1ih7 h TYR 320 Ca -0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 1ih7 h TYR 320 Cb 0.99 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 1ih7 h TYR 320 CO 0.00 -0.49 -0.03 0.82 -1.64 0.00 0.00 178.16 176.82 1ih7 h ILE 321 N -0.76 1.27 -0.77 1.81 1.08 -1.46 -2.29 117.51 116.38 1ih7 h ILE 321 Ca -0.05 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.29 1ih7 h ILE 321 Cb 0.65 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 1ih7 h ILE 321 CO 0.02 0.39 0.46 0.28 -0.69 0.00 0.00 178.15 178.61 1ih7 h SER 322 N 0.75 0.93 0.24 1.72 0.02 -1.39 -2.41 113.55 113.41 1ih7 h SER 322 Ca 0.13 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1ih7 h SER 322 Cb 0.56 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1ih7 h SER 322 CO 0.03 0.72 -0.50 1.88 -1.14 0.00 0.00 176.83 177.82 1ih7 h TYR 323 N 1.05 0.37 -0.63 3.45 0.99 -0.81 -0.99 116.97 120.41 1ih7 h TYR 323 Ca 0.28 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 1ih7 h TYR 323 Cb -0.03 -0.07 -0.03 0.00 1.00 0.00 0.00 36.73 37.60 1ih7 h TYR 323 CO -0.01 0.75 0.18 -0.91 -0.00 0.00 0.00 178.16 178.17 1ih7 h ASN 324 N 0.24 0.93 0.13 3.88 2.35 -1.11 0.19 115.58 122.18 1ih7 h ASN 324 Ca 0.01 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1ih7 h ASN 324 Cb 0.97 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1ih7 h ASN 324 CO 0.08 0.90 -0.06 0.40 -1.65 0.00 0.00 177.43 177.10 1ih7 h ILE 325 N 0.91 0.92 -0.74 2.81 2.04 -1.24 -2.68 117.51 119.53 1ih7 h ILE 325 Ca 0.20 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1ih7 h ILE 325 Cb 0.31 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1ih7 h ILE 325 CO -0.00 0.05 0.49 0.40 0.00 0.00 0.00 178.15 179.08 1ih7 h ILE 326 N -0.26 1.14 -0.26 -0.67 2.04 -0.85 -1.71 117.51 116.93 1ih7 h ILE 326 Ca -0.02 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1ih7 h ILE 326 Cb 0.21 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1ih7 h ILE 326 CO 0.03 0.17 -0.14 0.44 0.00 0.00 0.00 178.15 178.65 1ih7 h ASP 327 N 0.94 0.42 -0.21 1.72 3.32 -0.43 0.16 116.42 122.34 1ih7 h ASP 327 Ca 0.29 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1ih7 h ASP 327 Cb -0.01 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1ih7 h ASP 327 CO -0.08 0.58 -0.39 0.58 -1.72 0.00 0.00 179.24 178.22 1ih7 h VAL 328 N 0.40 1.32 -0.75 -1.35 2.07 -1.05 -2.59 116.25 114.30 1ih7 h VAL 328 Ca 0.07 -1.62 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1ih7 h VAL 328 Cb 0.48 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1ih7 h VAL 328 CO 0.03 0.50 0.50 0.22 0.02 0.00 0.00 177.57 178.84 1ih7 h TYR 329 N 0.32 0.91 -0.36 1.57 3.20 -0.92 -1.22 116.97 120.47 1ih7 h TYR 329 Ca 0.01 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1ih7 h TYR 329 Cb 0.99 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1ih7 h TYR 329 CO 0.09 0.55 0.16 -0.09 -1.64 0.00 0.00 178.16 177.23 1ih7 h ARG 330 N 0.97 0.32 -0.53 1.82 9.65 -0.49 0.52 114.38 126.64 1ih7 h ARG 330 Ca 0.29 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.13 1ih7 h ARG 330 Cb -0.03 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1ih7 h ARG 330 CO -0.07 0.21 0.27 0.28 2.80 0.00 0.00 179.97 183.46 1ih7 h VAL 331 N 0.33 1.19 -0.91 0.20 2.07 -0.95 -0.10 116.25 118.08 1ih7 h VAL 331 Ca 0.15 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1ih7 h VAL 331 Cb 0.09 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1ih7 h VAL 331 CO -0.12 0.21 0.60 -0.07 0.02 0.00 0.00 177.57 178.21 1ih7 h LEU 332 N 0.71 1.00 -0.42 2.57 4.07 -0.33 -0.57 115.31 122.34 1ih7 h LEU 332 Ca 0.18 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.04 1ih7 h LEU 332 Cb 0.09 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1ih7 h LEU 332 CO -0.03 0.69 -0.08 1.56 -1.08 0.00 0.00 178.44 179.51 1ih7 h GLN 333 N 1.16 0.80 -0.74 1.13 4.20 0.93 -0.36 115.11 122.24 1ih7 h GLN 333 Ca 0.36 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1ih7 h GLN 333 Cb -0.01 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1ih7 h GLN 333 CO -0.10 0.91 0.42 0.82 -0.67 0.00 0.00 178.83 180.21 1ih7 h ILE 334 N 0.63 1.21 -0.04 2.54 2.04 -0.32 -1.76 117.51 121.81 1ih7 h ILE 334 Ca 0.11 -0.50 -0.15 0.00 1.00 0.00 0.00 64.86 65.33 1ih7 h ILE 334 Cb 0.60 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1ih7 h ILE 334 CO 0.04 0.23 -0.63 -0.78 0.00 0.00 0.00 178.15 177.00 1ih7 h ASP 335 N 1.02 0.19 -0.99 1.72 3.58 -0.83 -1.30 116.42 119.82 1ih7 h ASP 335 Ca 0.26 -0.12 0.05 0.00 0.42 0.00 0.00 57.03 57.64 1ih7 h ASP 335 Cb -0.01 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 40.92 1ih7 h ASP 335 CO -0.05 0.77 0.64 0.00 -2.88 0.00 0.00 179.24 177.73 1ih7 h ALA 336 N 1.22 1.38 0.00 -0.78 0.00 -0.16 0.62 119.26 121.54 1ih7 h ALA 336 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ih7 h ALA 336 Cb 1.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ih7 h ALA 336 CO 0.09 0.51 -1.58 0.36 0.00 0.00 0.00 179.25 178.63 1ih7 n LYS 337 N -4.46 0.64 -0.06 0.00 2.85 -1.07 -4.40 118.16 111.66 1ih7 n LYS 337 Ca 0.14 -0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.37 1ih7 n LYS 337 Cb 0.12 -1.67 -0.16 0.00 -0.65 0.00 0.00 35.03 32.67 1ih7 n LYS 337 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ih7 n ARG 338 N -2.54 0.68 -3.33 -1.58 5.12 -0.50 -5.01 116.66 109.49 1ih7 n ARG 338 Ca -0.06 -0.05 -0.24 0.00 -1.93 0.00 0.00 57.85 55.57 1ih7 n ARG 338 Cb 0.65 -1.54 0.05 0.00 -1.16 0.00 0.00 32.46 30.46 1ih7 n ARG 338 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ih7 n GLN 339 N -2.61 -5.97 0.09 5.56 1.13 0.22 -4.91 117.38 110.89 1ih7 n GLN 339 Ca -0.23 0.82 -0.03 0.00 -1.94 0.00 0.00 57.00 55.63 1ih7 n GLN 339 Cb 0.96 -5.75 0.19 0.00 0.11 0.00 0.00 30.24 25.74 1ih7 n GLN 339 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1ih7 h PHE 340 N -1.90 0.27 0.23 1.08 0.04 -1.90 -1.06 116.94 113.70 1ih7 h PHE 340 Ca -0.54 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.13 1ih7 h PHE 340 Cb 1.36 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.46 1ih7 h PHE 340 CO 0.53 0.67 -0.11 0.82 -0.60 0.00 0.00 178.31 179.62 1ih7 h ILE 341 N 0.18 0.82 -0.69 -0.55 1.08 -1.90 -0.03 117.51 116.41 1ih7 h ILE 341 Ca 0.01 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ih7 h ILE 341 Cb 0.92 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 1ih7 h ILE 341 CO 0.07 0.06 0.44 0.78 -0.69 0.00 0.00 178.15 178.82 1ih7 h ASN 342 N -0.44 0.81 -0.83 1.72 4.21 -1.94 -0.84 115.58 118.27 1ih7 h ASN 342 Ca -0.03 -0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.41 1ih7 h ASN 342 Cb 0.34 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.29 1ih7 h ASN 342 CO 0.05 0.60 0.38 0.25 -1.29 0.00 0.00 177.43 177.43 1ih7 h LEU 343 N 0.95 1.10 -0.41 1.61 5.85 -0.86 0.14 115.31 123.68 1ih7 h LEU 343 Ca 0.25 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1ih7 h LEU 343 Cb -0.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1ih7 h LEU 343 CO -0.05 0.94 0.20 0.28 -0.34 0.00 0.00 178.44 179.47 1ih7 h SER 344 N 1.19 0.54 -0.34 1.25 0.02 0.30 -0.81 113.55 115.70 1ih7 h SER 344 Ca 0.28 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1ih7 h SER 344 Cb 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1ih7 h SER 344 CO -0.03 0.52 0.11 -0.07 -1.14 0.00 0.00 176.83 176.22 1ih7 h LEU 345 N 0.53 0.50 -0.20 5.07 3.38 -0.80 0.15 115.31 123.93 1ih7 h LEU 345 Ca 0.14 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ih7 h LEU 345 Cb 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1ih7 h LEU 345 CO -0.02 0.56 -0.01 -0.78 0.09 0.00 0.00 178.44 178.28 1ih7 h ASP 346 N 0.40 -0.11 -0.43 -0.43 3.58 -0.51 0.35 116.42 119.28 1ih7 h ASP 346 Ca 0.11 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1ih7 h ASP 346 Cb 0.24 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1ih7 h ASP 346 CO -0.00 -0.03 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.30 1ih7 h MET 347 N 0.05 0.75 -0.29 0.28 4.05 -1.03 -1.75 114.93 116.98 1ih7 h MET 347 Ca 0.10 -0.24 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1ih7 h MET 347 Cb 0.13 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1ih7 h MET 347 CO -0.17 0.83 0.19 0.78 0.23 0.00 0.00 176.91 178.76 1ih7 h GLY 348 N 0.59 0.41 1.88 1.39 0.00 -0.29 -1.50 103.07 105.54 1ih7 h GLY 348 Ca 0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1ih7 h GLY 348 CO 0.02 0.14 -0.49 -0.97 0.00 0.00 0.00 176.54 175.24 1ih7 h TYR 349 N 0.38 0.16 -0.23 5.60 0.05 -0.91 0.28 116.97 122.29 1ih7 h TYR 349 Ca 0.11 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1ih7 h TYR 349 Cb -0.03 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1ih7 h TYR 349 CO -0.06 0.60 0.08 -0.92 -1.05 0.00 0.00 178.16 176.80 1ih7 h TYR 350 N 0.10 0.37 0.00 4.88 3.20 -0.99 -3.06 116.97 121.48 1ih7 h TYR 350 Ca 0.00 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1ih7 h TYR 350 Cb 0.91 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1ih7 h TYR 350 CO 0.01 0.42 -0.40 0.00 -1.64 0.00 0.00 178.16 176.55 1ih7 h ALA 351 N 0.91 0.80 -4.70 1.82 0.00 -1.17 -3.48 119.26 113.45 1ih7 h ALA 351 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ih7 h ALA 351 Cb 0.22 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ih7 h ALA 351 CO -0.00 0.06 -0.19 1.63 0.00 0.00 0.00 179.25 180.75 1ih7 n LYS 352 N -2.96 -1.14 -4.23 0.00 5.02 0.93 -4.25 118.16 111.53 1ih7 n LYS 352 Ca 0.02 1.02 -0.14 0.00 -2.02 0.00 0.00 58.31 57.20 1ih7 n LYS 352 Cb 0.56 -4.55 -0.10 0.00 -0.02 0.00 0.00 35.03 30.92 1ih7 n LYS 352 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ih7 s ILE 353 N -3.09 0.08 0.41 -0.18 -4.36 -0.98 -4.79 121.20 108.29 1ih7 s ILE 353 Ca 0.10 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.23 1ih7 s ILE 353 Cb -0.01 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.10 1ih7 s ILE 353 CO 0.53 0.00 1.32 -1.10 0.24 0.00 0.00 174.94 175.93 1ih7 s GLN 354 N -4.04 3.94 0.28 0.37 -0.21 -1.26 -4.73 119.66 114.01 1ih7 s GLN 354 Ca 0.39 2.19 0.00 0.00 0.02 0.00 0.00 55.36 57.96 1ih7 s GLN 354 Cb 0.06 -2.75 0.51 0.00 1.00 0.00 0.00 33.01 31.84 1ih7 s GLN 354 CO 0.14 -0.53 1.86 0.82 -2.12 0.00 0.00 175.29 175.47 1ih7 h ILE 355 N 2.45 0.99 0.00 1.08 1.08 -1.91 -0.12 117.51 121.07 1ih7 h ILE 355 Ca -0.50 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1ih7 h ILE 355 Cb 1.25 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1ih7 h ILE 355 CO 0.62 0.19 0.00 0.00 -0.69 0.00 0.00 178.15 178.28 1ih7 n GLN 356 N -4.56 0.12 0.00 2.37 0.00 -1.26 -1.92 117.38 112.13 1ih7 n GLN 356 Ca 0.17 0.54 0.08 0.00 0.00 0.00 0.00 57.00 57.79 1ih7 n GLN 356 Cb 0.28 -1.84 0.39 0.00 0.00 0.00 0.00 30.24 29.07 1ih7 n GLN 356 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ih7 n SER 357 N -2.09 0.00 0.31 2.61 7.64 -0.06 -2.67 113.62 119.36 1ih7 n SER 357 Ca -0.00 0.24 0.19 0.00 1.01 0.00 0.00 58.87 60.30 1ih7 n SER 357 Cb 0.09 -0.37 1.01 0.00 -1.01 0.00 0.00 64.21 63.92 1ih7 n SER 357 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1ih7 h VAL 358 N 0.00 0.21 0.00 0.44 -1.51 -1.55 0.16 116.25 113.99 1ih7 h VAL 358 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1ih7 h VAL 358 Cb 0.21 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1ih7 h VAL 358 CO 0.00 0.02 0.00 0.49 -1.23 0.00 0.00 177.57 176.85 1ih7 n PHE 359 N -3.34 0.00 -4.04 5.19 3.72 -1.09 -4.54 117.46 113.37 1ih7 n PHE 359 Ca -0.02 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 1ih7 n PHE 359 Cb 0.13 -0.29 -0.15 0.00 -0.94 0.00 0.00 39.48 38.23 1ih7 n PHE 359 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ih7 s SER 360 N -2.58 4.59 0.22 4.37 0.15 0.55 -5.00 113.70 116.01 1ih7 s SER 360 Ca 0.20 -1.79 -0.08 0.00 0.70 0.00 0.00 55.95 54.98 1ih7 s SER 360 Cb 0.15 -1.57 0.27 0.00 -1.71 0.00 0.00 66.02 63.15 1ih7 s SER 360 CO 0.33 -0.29 1.84 -0.65 1.20 0.00 0.00 173.24 175.67 1ih7 h PRO 361 N 7.70 0.85 -0.65 5.44 0.11 -1.81 -1.21 132.00 142.43 1ih7 h PRO 361 Ca -0.11 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 1ih7 h PRO 361 Cb 1.03 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1ih7 h PRO 361 CO 0.49 0.56 0.20 -0.84 -0.21 0.00 0.00 178.00 178.20 1ih7 h ILE 362 N 0.88 1.24 -0.27 4.15 3.07 -1.91 0.24 117.51 124.91 1ih7 h ILE 362 Ca 0.33 -0.84 -0.07 0.00 1.55 0.00 0.00 64.86 65.83 1ih7 h ILE 362 Cb 0.12 0.53 -0.01 0.00 -0.27 0.00 0.00 36.82 37.20 1ih7 h ILE 362 CO -0.15 0.32 -0.09 0.50 -1.05 0.00 0.00 178.15 177.68 1ih7 h LYS 363 N 0.96 0.54 -0.06 0.16 3.11 -1.76 -0.97 116.57 118.55 1ih7 h LYS 363 Ca 0.21 -0.22 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1ih7 h LYS 363 Cb 0.28 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1ih7 h LYS 363 CO -0.01 0.76 0.02 1.15 -2.81 0.00 0.00 179.45 178.56 1ih7 h THR 364 N 0.28 1.17 -0.10 1.00 2.02 -1.00 -2.23 112.91 114.04 1ih7 h THR 364 Ca 0.06 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 1ih7 h THR 364 Cb 0.58 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1ih7 h THR 364 CO 0.03 0.14 -0.43 -0.50 0.37 0.00 0.00 175.52 175.14 1ih7 h TRP 365 N -0.11 0.28 -0.23 3.16 4.06 -1.00 -2.13 115.95 119.98 1ih7 h TRP 365 Ca 0.02 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1ih7 h TRP 365 Cb 0.22 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1ih7 h TRP 365 CO -0.00 0.63 0.15 0.22 -3.56 0.00 0.00 178.44 175.87 1ih7 h ASP 366 N 0.20 0.26 -0.68 -3.49 3.58 -1.03 -1.18 116.42 114.08 1ih7 h ASP 366 Ca 0.02 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1ih7 h ASP 366 Cb 0.84 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 1ih7 h ASP 366 CO 0.07 0.21 0.16 0.00 -2.88 0.00 0.00 179.24 176.79 1ih7 h ALA 367 N 1.07 0.97 0.21 -0.78 0.00 -1.25 0.76 119.26 120.23 1ih7 h ALA 367 Ca 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ih7 h ALA 367 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ih7 h ALA 367 CO -0.02 0.66 -0.10 0.82 0.00 0.00 0.00 179.25 180.61 1ih7 h ILE 368 N 1.05 0.83 -0.52 0.00 2.04 -1.11 -0.48 117.51 119.32 1ih7 h ILE 368 Ca 0.22 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1ih7 h ILE 368 Cb 0.38 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1ih7 h ILE 368 CO 0.00 0.05 0.15 0.40 0.00 0.00 0.00 178.15 178.75 1ih7 h ILE 369 N -0.39 1.24 0.03 -0.67 2.04 -1.17 -1.26 117.51 117.33 1ih7 h ILE 369 Ca -0.03 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1ih7 h ILE 369 Cb 0.30 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1ih7 h ILE 369 CO 0.05 0.30 -0.23 0.15 0.00 0.00 0.00 178.15 178.42 1ih7 h PHE 370 N 0.72 -0.61 -0.57 1.37 -0.00 -0.73 -0.27 116.94 116.86 1ih7 h PHE 370 Ca 0.17 0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 58.11 1ih7 h PHE 370 Cb 0.30 0.27 -0.03 0.00 -0.00 0.00 0.00 35.95 36.49 1ih7 h PHE 370 CO 0.02 -0.32 0.19 -0.91 -0.00 0.00 0.00 178.31 177.29 1ih7 h ASN 371 N -0.37 0.78 -0.30 0.41 2.35 -0.98 -1.39 115.58 116.07 1ih7 h ASN 371 Ca 0.05 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1ih7 h ASN 371 Cb 0.44 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1ih7 h ASN 371 CO -0.19 0.73 -0.08 -1.28 -1.65 0.00 0.00 177.43 174.96 1ih7 h SER 372 N 0.82 0.59 -0.16 5.81 0.87 -0.88 -3.05 113.55 117.55 1ih7 h SER 372 Ca 0.19 -0.37 -0.09 0.00 -1.23 0.00 0.00 61.79 60.29 1ih7 h SER 372 Cb 0.23 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1ih7 h SER 372 CO -0.01 0.82 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.84 1ih7 h LEU 373 N 0.35 0.58 -1.47 2.23 4.07 -0.93 -2.94 115.31 117.20 1ih7 h LEU 373 Ca 0.08 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.88 1ih7 h LEU 373 Cb 0.56 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1ih7 h LEU 373 CO 0.03 0.78 0.39 0.50 -1.08 0.00 0.00 178.44 179.06 1ih7 h LYS 374 N 0.52 0.68 0.00 1.13 3.64 -1.18 -0.43 116.57 120.93 1ih7 h LYS 374 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ih7 h LYS 374 Cb 0.63 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ih7 h LYS 374 CO 0.04 0.45 0.00 0.93 -2.27 0.00 0.00 179.45 178.60 1ih7 h GLU 375 N 0.70 0.00 -0.49 1.90 4.39 -1.41 -1.66 114.58 118.01 1ih7 h GLU 375 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1ih7 h GLU 375 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1ih7 h GLU 375 CO -0.06 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.83 1ih7 n GLN 376 N -3.08 3.09 -2.42 2.33 6.02 -0.38 -4.95 117.38 117.99 1ih7 n GLN 376 Ca -0.01 -2.51 -0.18 0.00 -0.01 0.00 0.00 57.00 54.29 1ih7 n GLN 376 Cb 0.23 -1.58 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 1ih7 n GLN 376 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ih7 n ASN 377 N 0.74 -5.29 -4.87 1.08 3.02 -0.62 -4.94 115.26 104.37 1ih7 n ASN 377 Ca 0.19 0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 1ih7 n ASN 377 Cb 0.66 -4.43 -0.05 0.00 -0.61 0.00 0.00 39.78 35.34 1ih7 n ASN 377 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ih7 s LYS 378 N -5.05 3.66 -0.14 3.52 1.02 -0.31 -2.87 119.74 119.57 1ih7 s LYS 378 Ca 0.00 0.06 -0.05 0.00 0.02 0.00 0.00 55.97 56.00 1ih7 s LYS 378 Cb -0.00 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1ih7 s LYS 378 CO 0.00 0.65 0.03 0.08 -0.92 0.00 0.00 175.35 175.19 1ih7 s VAL 379 N -1.26 4.56 0.39 3.17 1.01 0.68 -3.93 120.40 125.02 1ih7 s VAL 379 Ca 0.27 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 1ih7 s VAL 379 Cb -0.14 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 1ih7 s VAL 379 CO 0.15 0.52 1.08 0.27 0.00 0.00 0.00 175.10 177.13 1ih7 s ILE 380 N -0.13 3.55 0.57 2.22 -4.36 -1.26 -3.65 121.20 118.14 1ih7 s ILE 380 Ca 0.06 1.24 -0.18 0.00 -0.26 0.00 0.00 60.65 61.50 1ih7 s ILE 380 Cb -0.12 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 1ih7 s ILE 380 CO 0.02 0.06 1.14 -2.16 0.24 0.00 0.00 174.94 174.23 1ih7 s PRO 381 N -2.37 3.18 0.44 0.37 0.04 -1.26 -1.76 135.00 133.64 1ih7 s PRO 381 Ca 0.57 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.97 1ih7 s PRO 381 Cb -0.25 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 1ih7 s PRO 381 CO 0.31 -0.99 1.15 -1.14 0.04 0.00 0.00 177.00 176.38 1ih7 s GLN 382 N -3.46 3.87 0.25 4.56 0.74 -1.26 -4.70 119.66 119.66 1ih7 s GLN 382 Ca 0.72 1.76 -0.30 0.00 0.05 0.00 0.00 55.36 57.60 1ih7 s GLN 382 Cb -0.24 -2.48 -0.09 0.00 1.10 0.00 0.00 33.01 31.30 1ih7 s GLN 382 CO 0.31 -0.45 1.14 0.20 -0.55 0.00 0.00 175.29 175.94 1ih7 s GLY 383 N -1.33 2.95 0.02 2.59 0.00 -1.26 -5.04 107.32 105.24 1ih7 s GLY 383 Ca 0.61 0.94 0.09 0.00 0.00 0.00 0.00 44.72 46.36 1ih7 s GLY 383 CO 0.35 1.64 -0.26 0.50 0.00 0.00 0.00 173.10 175.33 1ih7 s ARG 384 N -1.10 1.95 0.34 2.90 0.52 -1.26 -5.11 118.95 117.19 1ih7 s ARG 384 Ca 0.47 -1.02 -0.27 0.00 -0.52 0.00 0.00 55.73 54.39 1ih7 s ARG 384 Cb -0.33 -2.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.03 1ih7 s ARG 384 CO 0.41 0.54 1.08 -1.54 0.02 0.00 0.00 175.30 175.81 1ih7 s SER 385 N -0.97 6.97 0.01 0.23 1.04 -1.26 -4.93 113.70 114.79 1ih7 s SER 385 Ca 0.11 2.18 -0.00 0.00 0.48 0.00 0.00 55.95 58.72 1ih7 s SER 385 Cb -0.10 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 1ih7 s SER 385 CO 0.01 -0.35 -0.02 -1.00 0.98 0.00 0.00 173.24 172.87 1ih7 s HIS 386 N -1.40 0.15 0.50 5.02 3.76 -1.26 -5.15 115.29 116.91 1ih7 s HIS 386 Ca 0.51 -0.31 -0.19 0.00 -0.15 0.00 0.00 55.06 54.92 1ih7 s HIS 386 Cb -0.28 -0.11 -0.08 0.00 1.11 0.00 0.00 32.58 33.22 1ih7 s HIS 386 CO 0.35 -0.11 1.01 -1.25 -0.85 0.00 0.00 174.74 173.89 1ih7 s PRO 387 N -0.86 3.85 -0.74 8.40 0.04 -1.26 -4.93 135.00 139.50 1ih7 s PRO 387 Ca -0.09 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 1ih7 s PRO 387 Cb -0.06 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1ih7 s PRO 387 CO -0.01 -0.37 1.42 0.08 0.04 0.00 0.00 177.00 178.17 1ih7 s VAL 388 N -2.23 3.66 -0.26 -0.36 1.01 -1.26 -4.97 120.40 115.98 1ih7 s VAL 388 Ca 0.64 0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 1ih7 s VAL 388 Cb -0.13 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 1ih7 s VAL 388 CO 0.23 -1.66 0.05 -1.58 0.00 0.00 0.00 175.10 172.14 1ih7 s GLN 389 N 5.97 3.31 0.27 2.72 2.00 -1.26 -5.08 119.66 127.60 1ih7 s GLN 389 Ca 0.43 -0.70 -0.30 0.00 -2.00 0.00 0.00 55.36 52.79 1ih7 s GLN 389 Cb -0.08 -3.27 -0.11 0.00 0.80 0.00 0.00 33.01 30.34 1ih7 s GLN 389 CO 0.14 -0.32 1.62 -2.14 -0.50 0.00 0.00 175.29 174.10 1ih7 s PRO 390 N 1.52 4.12 0.18 1.67 0.02 -1.26 -5.01 135.00 136.24 1ih7 s PRO 390 Ca 0.04 2.58 0.04 0.00 0.02 0.00 0.00 61.00 63.69 1ih7 s PRO 390 Cb -0.16 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 1ih7 s PRO 390 CO 0.01 -0.66 -0.07 1.52 -0.33 0.00 0.00 177.00 177.47 1ih7 s TYR 391 N 0.27 1.40 0.17 6.54 1.13 -1.26 -5.11 117.35 120.49 1ih7 s TYR 391 Ca 0.66 -0.80 -0.32 0.00 -1.41 0.00 0.00 57.07 55.20 1ih7 s TYR 391 Cb -0.48 -0.74 -0.17 0.00 -1.10 0.00 0.00 41.96 39.47 1ih7 s TYR 391 CO 0.44 0.06 0.89 -0.35 -2.51 0.00 0.00 175.55 174.08 1ih7 n PRO 392 N -0.29 0.55 0.00 -3.49 -0.04 -1.26 -4.99 135.00 125.48 1ih7 n PRO 392 Ca -0.08 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ih7 n PRO 392 Cb 0.62 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1ih7 n PRO 392 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ih7 n GLY 393 N 1.79 2.21 3.80 0.55 0.00 -1.26 -4.79 105.19 107.50 1ih7 n GLY 393 Ca 0.16 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1ih7 n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ih7 s ALA 394 N -2.68 2.55 -0.07 4.61 0.00 -1.26 -4.79 121.76 120.12 1ih7 s ALA 394 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 1ih7 s ALA 394 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1ih7 s ALA 394 CO 0.00 -1.39 0.53 0.12 0.00 0.00 0.00 175.76 175.02 1ih7 s PHE 395 N -3.01 3.58 -0.13 0.00 5.36 -1.26 -4.88 117.98 117.64 1ih7 s PHE 395 Ca 0.59 1.03 -0.02 0.00 -0.96 0.00 0.00 56.93 57.57 1ih7 s PHE 395 Cb -0.15 -2.58 0.04 0.00 -0.34 0.00 0.00 43.02 39.99 1ih7 s PHE 395 CO 0.55 0.24 0.00 0.08 -1.46 0.00 0.00 175.22 174.64 1ih7 s VAL 396 N 0.30 0.55 0.20 3.12 1.01 -1.26 -0.01 120.40 124.31 1ih7 s VAL 396 Ca 0.29 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1ih7 s VAL 396 Cb -0.16 -0.83 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 1ih7 s VAL 396 CO 0.13 0.08 1.17 -0.75 0.00 0.00 0.00 175.10 175.74 1ih7 s LYS 397 N 1.88 4.53 -0.51 2.72 2.20 0.25 -4.97 119.74 125.84 1ih7 s LYS 397 Ca 0.02 1.84 -0.28 0.00 -0.36 0.00 0.00 55.97 57.19 1ih7 s LYS 397 Cb -0.14 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1ih7 s LYS 397 CO -0.07 -0.02 1.28 -2.00 -0.36 0.00 0.00 175.35 174.18 1ih7 s GLU 398 N -0.45 3.54 0.49 4.03 2.56 -1.26 -4.58 118.70 123.04 1ih7 s GLU 398 Ca 0.51 0.55 -0.18 0.00 0.00 0.00 0.00 54.97 55.85 1ih7 s GLU 398 Cb -0.32 -4.01 -0.09 0.00 2.00 0.00 0.00 34.13 31.71 1ih7 s GLU 398 CO 0.37 -1.63 0.98 -1.25 -0.56 0.00 0.00 175.26 173.17 1ih7 s PRO 399 N 4.94 4.02 -0.28 4.30 0.04 -1.26 -5.01 135.00 141.74 1ih7 s PRO 399 Ca 0.51 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 1ih7 s PRO 399 Cb -0.09 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1ih7 s PRO 399 CO 0.29 -0.21 0.96 0.42 0.04 0.00 0.00 177.00 178.50 1ih7 s ILE 400 N -2.50 4.67 0.00 0.56 1.01 -1.26 -4.78 121.20 118.90 1ih7 s ILE 400 Ca 0.60 1.66 -0.33 0.00 0.00 0.00 0.00 60.65 62.57 1ih7 s ILE 400 Cb -0.10 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.97 1ih7 s ILE 400 CO 0.26 -0.29 1.81 -2.65 0.00 0.00 0.00 174.94 174.08 1ih7 n PRO 401 N 6.44 2.28 0.00 2.79 -0.02 -1.26 -4.83 135.00 140.40 1ih7 n PRO 401 Ca 0.09 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1ih7 n PRO 401 Cb 0.47 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1ih7 n PRO 401 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ih7 n ASN 402 N 5.81 0.00 -4.88 2.55 2.85 -1.00 -4.89 115.26 115.70 1ih7 n ASN 402 Ca 0.21 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.37 1ih7 n ASN 402 Cb 0.31 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.29 1ih7 n ASN 402 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ih7 s ARG 403 N -2.00 3.75 -0.25 1.20 1.70 -1.25 -1.53 118.95 120.56 1ih7 s ARG 403 Ca 0.00 0.22 -0.04 0.00 -0.47 0.00 0.00 55.73 55.44 1ih7 s ARG 403 Cb 0.00 -2.60 0.09 0.00 -0.57 0.00 0.00 34.95 31.87 1ih7 s ARG 403 CO 0.00 0.23 0.15 0.71 -1.08 0.00 0.00 175.30 175.31 1ih7 s TYR 404 N -1.99 0.12 0.09 5.89 1.51 0.58 -4.93 117.35 118.62 1ih7 s TYR 404 Ca 0.47 -0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1ih7 s TYR 404 Cb -0.11 -0.73 -0.15 0.00 -0.11 0.00 0.00 41.96 40.86 1ih7 s TYR 404 CO 0.25 -0.74 1.64 -0.22 -1.11 0.00 0.00 175.55 175.37 1ih7 h LYS 405 N 8.38 -0.66 -5.20 -0.62 3.64 -1.78 -2.85 116.57 117.49 1ih7 h LYS 405 Ca -0.18 0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.58 1ih7 h LYS 405 Cb 1.07 0.15 -0.31 0.00 -0.41 0.00 0.00 32.23 32.73 1ih7 h LYS 405 CO 0.37 -0.44 -0.82 0.71 -2.27 0.00 0.00 179.45 177.01 1ih7 s TYR 406 N -6.05 2.75 -0.00 1.91 1.51 -1.26 -3.95 117.35 112.26 1ih7 s TYR 406 Ca -0.17 -1.09 0.03 0.00 -1.01 0.00 0.00 57.07 54.84 1ih7 s TYR 406 Cb 0.05 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1ih7 s TYR 406 CO 0.63 -0.49 -0.11 0.08 -1.11 0.00 0.00 175.55 174.55 1ih7 s VAL 407 N 0.79 0.84 -0.06 0.71 1.01 -0.61 -0.06 120.40 123.02 1ih7 s VAL 407 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1ih7 s VAL 407 Cb -0.15 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1ih7 s VAL 407 CO -0.00 0.20 -0.06 -0.32 0.00 0.00 0.00 175.10 174.91 1ih7 s MET 408 N -0.36 1.08 0.10 2.72 1.75 0.23 -0.82 119.30 124.00 1ih7 s MET 408 Ca 0.03 -0.17 0.06 0.00 -1.25 0.00 0.00 55.69 54.36 1ih7 s MET 408 Cb -0.04 -1.05 -0.04 0.00 2.84 0.00 0.00 34.83 36.53 1ih7 s MET 408 CO -0.00 -0.09 -0.03 -1.54 -0.65 0.00 0.00 175.02 172.71 1ih7 s SER 409 N 1.01 4.83 0.06 1.11 1.04 -0.45 0.30 113.70 121.59 1ih7 s SER 409 Ca -0.09 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1ih7 s SER 409 Cb -0.14 -1.08 -0.03 0.00 0.10 0.00 0.00 66.02 64.87 1ih7 s SER 409 CO -0.00 0.17 -0.12 -0.36 0.98 0.00 0.00 173.24 173.91 1ih7 s PHE 410 N -1.30 1.07 0.03 5.02 0.40 -0.36 0.84 117.98 123.69 1ih7 s PHE 410 Ca 0.25 -0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 1ih7 s PHE 410 Cb -0.11 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.80 1ih7 s PHE 410 CO 0.17 0.02 0.16 0.16 0.70 0.00 0.00 175.22 176.43 1ih7 s ASP 411 N -1.53 0.06 0.32 1.36 -4.77 -0.81 -0.74 116.67 110.56 1ih7 s ASP 411 Ca -0.03 -0.34 -0.18 0.00 -3.30 0.00 0.00 52.55 48.70 1ih7 s ASP 411 Cb -0.09 0.25 -0.09 0.00 -1.09 0.00 0.00 42.92 41.89 1ih7 s ASP 411 CO 0.02 -0.49 0.79 -0.76 0.70 0.00 0.00 175.17 175.43 1ih7 s LEU 412 N -1.86 4.12 0.12 2.11 2.01 0.80 -2.55 118.68 123.42 1ih7 s LEU 412 Ca -0.08 1.43 -0.30 0.00 0.01 0.00 0.00 54.13 55.19 1ih7 s LEU 412 Cb -0.03 -4.06 -0.06 0.00 0.01 0.00 0.00 46.19 42.05 1ih7 s LEU 412 CO -0.02 -0.18 0.96 -0.89 1.01 0.00 0.00 176.35 177.24 1ih7 s THR 413 N -1.90 4.48 -0.14 5.49 2.01 -0.58 -4.37 115.64 120.64 1ih7 s THR 413 Ca 0.53 2.07 -0.02 0.00 0.31 0.00 0.00 61.69 64.58 1ih7 s THR 413 Cb -0.12 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1ih7 s THR 413 CO 0.18 0.32 0.09 -1.20 -0.69 0.00 0.00 174.62 173.32 1ih7 n SER 414 N 2.75 -0.62 -0.03 3.53 7.64 -1.26 -4.73 113.62 120.89 1ih7 n SER 414 Ca 0.02 -0.15 -0.04 0.00 1.01 0.00 0.00 58.87 59.71 1ih7 n SER 414 Cb 0.49 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1ih7 n SER 414 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ih7 h LEU 415 N 1.40 -0.53 -0.33 -3.43 5.85 -1.97 -0.63 115.31 115.65 1ih7 h LEU 415 Ca -0.09 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ih7 h LEU 415 Cb 0.20 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1ih7 h LEU 415 CO 0.06 -0.12 0.17 1.88 -0.34 0.00 0.00 178.44 180.09 1ih7 h TYR 416 N -0.13 0.32 0.00 1.25 0.05 -1.96 0.51 116.97 117.02 1ih7 h TYR 416 Ca 0.02 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1ih7 h TYR 416 Cb 0.18 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1ih7 h TYR 416 CO -0.61 0.18 -0.21 -1.00 -1.05 0.00 0.00 178.16 175.48 1ih7 h PRO 417 N 0.36 0.00 -0.34 4.88 0.13 -1.85 -1.45 132.00 133.73 1ih7 h PRO 417 Ca 0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.14 1ih7 h PRO 417 Cb 0.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1ih7 h PRO 417 CO -0.08 0.21 -0.29 0.77 -0.23 0.00 0.00 178.00 178.38 1ih7 h SER 418 N 0.00 0.84 -0.80 1.44 0.02 -0.16 -2.49 113.55 112.40 1ih7 h SER 418 Ca -0.00 -0.45 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1ih7 h SER 418 Cb 0.43 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1ih7 h SER 418 CO 0.03 1.12 0.53 0.40 -1.14 0.00 0.00 176.83 177.76 1ih7 h ILE 419 N 0.58 1.19 -0.63 3.27 2.04 -0.40 0.41 117.51 123.97 1ih7 h ILE 419 Ca 0.06 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1ih7 h ILE 419 Cb 0.86 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1ih7 h ILE 419 CO 0.07 0.19 0.39 0.40 0.00 0.00 0.00 178.15 179.21 1ih7 h ILE 420 N 1.06 1.08 -0.18 -0.67 2.04 -1.13 0.75 117.51 120.47 1ih7 h ILE 420 Ca 0.30 -0.26 -0.21 0.00 1.00 0.00 0.00 64.86 65.69 1ih7 h ILE 420 Cb -0.09 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1ih7 h ILE 420 CO -0.07 0.14 -0.71 0.03 0.00 0.00 0.00 178.15 177.54 1ih7 h ARG 421 N 0.77 0.79 -0.15 2.37 3.08 -0.92 0.12 114.38 120.44 1ih7 h ARG 421 Ca 0.25 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1ih7 h ARG 421 Cb 0.02 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ih7 h ARG 421 CO -0.10 1.23 0.06 0.37 -1.07 0.00 0.00 179.97 180.45 1ih7 h GLN 422 N 0.53 0.23 0.00 0.04 4.15 0.15 -3.08 115.11 117.13 1ih7 h GLN 422 Ca -0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1ih7 h GLN 422 Cb 1.34 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1ih7 h GLN 422 CO 0.15 0.33 -0.39 0.28 -1.93 0.00 0.00 178.83 177.27 1ih7 h VAL 423 N 0.08 0.00 -3.87 2.39 2.07 -0.94 -1.86 116.25 114.12 1ih7 h VAL 423 Ca 0.05 -0.95 -0.15 0.00 0.82 0.00 0.00 66.70 66.47 1ih7 h VAL 423 Cb 0.19 1.75 0.09 0.00 -1.52 0.00 0.00 31.29 31.79 1ih7 h VAL 423 CO -0.00 0.00 -0.39 -3.20 0.02 0.00 0.00 177.57 174.00 1ih7 n ASN 424 N -2.86 -2.50 -4.65 0.57 5.15 0.31 -4.66 115.26 106.62 1ih7 n ASN 424 Ca 0.03 -0.31 -0.41 0.00 -0.60 0.00 0.00 54.58 53.28 1ih7 n ASN 424 Cb 0.53 -2.78 -0.04 0.00 -0.53 0.00 0.00 39.78 36.96 1ih7 n ASN 424 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ih7 s ILE 425 N -3.18 4.87 0.00 -1.44 1.01 -0.58 -4.75 121.20 117.13 1ih7 s ILE 425 Ca 0.05 1.53 -0.28 0.00 0.00 0.00 0.00 60.65 61.95 1ih7 s ILE 425 Cb -0.01 -4.10 0.08 0.00 0.01 0.00 0.00 42.46 38.45 1ih7 s ILE 425 CO 0.36 -0.03 0.72 -0.55 0.00 0.00 0.00 174.94 175.44 1ih7 s SER 426 N 1.30 -0.56 0.31 3.58 0.15 -1.26 -4.34 113.70 112.87 1ih7 s SER 426 Ca 0.35 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.44 1ih7 s SER 426 Cb -0.16 0.51 0.76 0.00 -1.71 0.00 0.00 66.02 65.42 1ih7 s SER 426 CO 0.09 -0.68 1.78 -0.65 1.20 0.00 0.00 173.24 174.98 1ih7 h PRO 427 N 2.53 0.73 -0.30 5.44 0.11 -1.96 -2.19 132.00 136.36 1ih7 h PRO 427 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ih7 h PRO 427 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ih7 h PRO 427 CO 0.37 0.48 0.00 -0.85 -0.21 0.00 0.00 178.00 177.79 1ih7 n GLU 428 N -4.74 2.13 -0.12 1.05 0.00 -1.26 -4.09 120.64 113.61 1ih7 n GLU 428 Ca 0.23 -1.71 0.09 0.00 0.00 0.00 0.00 57.16 55.77 1ih7 n GLU 428 Cb 0.58 -1.45 0.15 0.00 0.00 0.00 0.00 31.44 30.71 1ih7 n GLU 428 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1ih7 n THR 429 N 0.93 0.42 -1.89 3.84 -2.24 -0.82 -4.95 114.28 109.56 1ih7 n THR 429 Ca 0.18 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 1ih7 n THR 429 Cb 0.47 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1ih7 n THR 429 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ih7 s ILE 430 N -1.27 3.00 -0.76 2.28 1.01 -1.24 -1.36 121.20 122.86 1ih7 s ILE 430 Ca 0.27 0.41 0.12 0.00 0.00 0.00 0.00 60.65 61.45 1ih7 s ILE 430 Cb 0.17 -3.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.30 1ih7 s ILE 430 CO 0.23 -0.01 0.57 0.00 0.00 0.00 0.00 174.94 175.74 1ih7 n ALA 431 N 5.86 3.26 0.00 9.38 0.00 0.13 -4.85 120.51 134.29 1ih7 n ALA 431 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ih7 n ALA 431 Cb 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1ih7 n ALA 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ih7 n GLY 432 N 1.15 0.50 3.30 0.00 0.00 -1.17 -4.95 105.19 104.02 1ih7 n GLY 432 Ca 0.03 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 1ih7 n GLY 432 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ih7 s THR 433 N -2.50 0.33 0.04 2.61 -4.23 -1.26 -0.76 115.64 109.87 1ih7 s THR 433 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1ih7 s THR 433 Cb 0.00 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 1ih7 s THR 433 CO 0.00 0.00 0.04 0.72 -0.54 0.00 0.00 174.62 174.84 1ih7 s PHE 434 N -3.77 0.28 0.03 3.99 -0.12 -0.78 -4.91 117.98 112.69 1ih7 s PHE 434 Ca 0.37 -0.62 -0.31 0.00 -0.05 0.00 0.00 56.93 56.33 1ih7 s PHE 434 Cb 0.06 -0.20 -0.10 0.00 -0.63 0.00 0.00 43.02 42.15 1ih7 s PHE 434 CO 0.15 -0.33 1.93 1.63 -0.05 0.00 0.00 175.22 178.55 1ih7 n LYS 435 N 0.84 2.72 -3.62 1.99 4.76 -1.26 -4.72 118.16 118.87 1ih7 n LYS 435 Ca -0.19 1.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.88 1ih7 n LYS 435 Cb 0.58 -2.92 -0.07 0.00 -1.84 0.00 0.00 35.03 30.79 1ih7 n LYS 435 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ih7 s VAL 436 N 4.01 5.30 0.60 -0.18 0.11 -1.26 -5.03 120.40 123.94 1ih7 s VAL 436 Ca 0.88 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.44 1ih7 s VAL 436 Cb -0.49 -3.58 0.05 0.00 -1.53 0.00 0.00 36.38 30.82 1ih7 s VAL 436 CO 0.43 0.49 0.83 0.00 -3.33 0.00 0.00 175.10 173.52 1ih7 s ALA 437 N -0.23 3.81 0.67 1.54 0.00 -1.26 -5.05 121.76 121.25 1ih7 s ALA 437 Ca 0.17 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 1ih7 s ALA 437 Cb -0.13 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ih7 s ALA 437 CO 0.06 -0.93 1.23 -2.30 0.00 0.00 0.00 175.76 173.82 1ih7 n PRO 438 N -2.48 0.96 -0.22 0.00 -0.02 -1.26 -4.89 135.00 127.09 1ih7 n PRO 438 Ca 0.09 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 1ih7 n PRO 438 Cb 0.60 -2.47 0.31 0.00 -0.02 0.00 0.00 33.50 31.91 1ih7 n PRO 438 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ih7 h LEU 439 N 0.32 0.76 -2.31 2.45 5.85 -1.97 -1.59 115.31 118.83 1ih7 h LEU 439 Ca -0.50 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1ih7 h LEU 439 Cb 1.34 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1ih7 h LEU 439 CO 0.52 0.50 -0.04 1.12 -0.34 0.00 0.00 178.44 180.20 1ih7 h HIS 440 N 0.87 0.00 -0.01 1.25 2.07 -1.99 -2.06 115.15 115.28 1ih7 h HIS 440 Ca 0.33 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.69 1ih7 h HIS 440 Cb 0.18 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 1ih7 h HIS 440 CO -0.00 0.04 -0.71 -0.44 -3.07 0.00 0.00 177.93 173.74 1ih7 h ASP 441 N 0.00 0.08 0.56 3.10 3.32 -1.63 -2.05 116.42 119.80 1ih7 h ASP 441 Ca -0.00 -0.05 -0.28 0.00 0.02 0.00 0.00 57.03 56.72 1ih7 h ASP 441 Cb 0.20 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ih7 h ASP 441 CO 0.00 0.77 -1.24 1.88 -1.72 0.00 0.00 179.24 178.93 1ih7 h TYR 442 N 0.04 0.56 -0.97 4.55 0.05 -1.46 0.24 116.97 119.99 1ih7 h TYR 442 Ca -0.01 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1ih7 h TYR 442 Cb 1.26 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.93 1ih7 h TYR 442 CO 0.01 1.30 0.61 0.82 -1.05 0.00 0.00 178.16 179.85 1ih7 h ILE 443 N 0.10 1.26 -0.01 -2.88 2.04 -1.35 -1.03 117.51 115.63 1ih7 h ILE 443 Ca -0.14 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1ih7 h ILE 443 Cb 1.96 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1ih7 h ILE 443 CO 0.21 0.26 -0.03 0.59 0.00 0.00 0.00 178.15 179.19 1ih7 n ASN 444 N -4.37 1.46 -2.18 1.72 3.02 -0.78 -4.62 115.26 109.52 1ih7 n ASN 444 Ca 0.11 -1.44 -0.18 0.00 -0.03 0.00 0.00 54.58 53.04 1ih7 n ASN 444 Cb 0.04 0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1ih7 n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ih7 n ALA 445 N 0.10 -0.59 0.04 5.41 0.00 -0.39 -4.90 120.51 120.18 1ih7 n ALA 445 Ca 0.18 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.83 1ih7 n ALA 445 Cb 0.36 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.48 1ih7 n ALA 445 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ih7 n VAL 446 N -4.08 0.87 -2.16 0.00 0.31 0.78 -4.93 118.33 109.11 1ih7 n VAL 446 Ca -0.19 -0.63 -0.34 0.00 -0.01 0.00 0.00 64.34 63.17 1ih7 n VAL 446 Cb 0.65 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1ih7 n VAL 446 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ih7 s ALA 447 N -3.11 2.72 0.41 3.52 0.00 -0.85 -4.99 121.76 119.46 1ih7 s ALA 447 Ca -0.03 0.56 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 1ih7 s ALA 447 Cb 0.09 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1ih7 s ALA 447 CO 0.82 -0.75 1.27 -1.83 0.00 0.00 0.00 175.76 175.26 1ih7 s GLU 448 N -3.71 3.96 -0.06 0.00 -1.05 -1.26 -4.88 118.70 111.69 1ih7 s GLU 448 Ca 0.67 2.08 -0.36 0.00 -0.15 0.00 0.00 54.97 57.21 1ih7 s GLU 448 Cb -0.18 -2.72 -0.14 0.00 -0.44 0.00 0.00 34.13 30.65 1ih7 s GLU 448 CO 0.31 -0.47 1.72 -2.13 0.95 0.00 0.00 175.26 175.64 1ih7 n ARG 449 N 0.07 1.80 -0.15 -4.83 0.63 -1.26 -4.86 116.66 108.06 1ih7 n ARG 449 Ca 0.04 0.66 -0.03 0.00 -0.92 0.00 0.00 57.85 57.59 1ih7 n ARG 449 Cb 0.44 -2.42 0.04 0.00 0.45 0.00 0.00 32.46 30.97 1ih7 n ARG 449 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1ih7 h PRO 450 N 7.51 0.04 -2.50 -0.14 0.11 -1.90 -3.45 132.00 131.67 1ih7 h PRO 450 Ca -0.47 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1ih7 h PRO 450 Cb 1.29 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 1ih7 h PRO 450 CO 0.92 0.03 0.01 0.45 -0.21 0.00 0.00 178.00 179.20 1ih7 s SER 451 N -5.23 -0.46 0.00 -2.05 0.15 -1.26 -4.97 113.70 99.87 1ih7 s SER 451 Ca -0.14 0.39 0.18 0.00 0.70 0.00 0.00 55.95 57.09 1ih7 s SER 451 Cb 0.16 0.46 0.08 0.00 -1.71 0.00 0.00 66.02 65.01 1ih7 s SER 451 CO 0.72 -0.59 1.01 -0.67 1.20 0.00 0.00 173.24 174.91 1ih7 n ASP 452 N 0.88 2.18 0.00 5.45 2.03 -1.26 -4.57 116.55 121.26 1ih7 n ASP 452 Ca -0.20 -1.59 0.00 0.00 0.52 0.00 0.00 54.79 53.53 1ih7 n ASP 452 Cb 0.58 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 1ih7 n ASP 452 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ih7 n VAL 453 N 0.53 0.00 -4.20 5.18 0.24 -1.26 -5.08 118.33 113.74 1ih7 n VAL 453 Ca 0.09 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.14 1ih7 n VAL 453 Cb 0.42 -0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 32.20 1ih7 n VAL 453 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1ih7 s TYR 454 N -1.75 2.87 -0.05 6.34 2.02 -1.26 -4.68 117.35 120.85 1ih7 s TYR 454 Ca 0.00 -0.14 -0.27 0.00 -0.37 0.00 0.00 57.07 56.29 1ih7 s TYR 454 Cb 0.00 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 1ih7 s TYR 454 CO 0.00 0.54 0.87 0.45 -1.57 0.00 0.00 175.55 175.84 1ih7 s SER 455 N -3.24 7.18 0.32 2.29 0.15 -0.29 -4.64 113.70 115.48 1ih7 s SER 455 Ca 0.29 1.43 0.10 0.00 0.70 0.00 0.00 55.95 58.48 1ih7 s SER 455 Cb -0.09 -2.50 -0.06 0.00 -1.71 0.00 0.00 66.02 61.67 1ih7 s SER 455 CO 0.20 -0.23 -0.10 0.00 1.20 0.00 0.00 173.24 174.30 1ih7 s SER 457 N -3.60 1.95 0.08 0.00 0.15 -0.98 -4.84 113.70 106.46 1ih7 s SER 457 Ca 0.32 -0.45 0.05 0.00 0.70 0.00 0.00 55.95 56.57 1ih7 s SER 457 Cb -0.00 -0.15 0.27 0.00 -1.71 0.00 0.00 66.02 64.42 1ih7 s SER 457 CO 0.17 0.10 1.11 -2.65 1.20 0.00 0.00 173.24 173.17 1ih7 n PRO 458 N 2.00 0.03 0.00 5.44 -0.02 -1.26 -1.96 135.00 139.23 1ih7 n PRO 458 Ca -0.17 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1ih7 n PRO 458 Cb 0.54 -1.65 0.57 0.00 -0.02 0.00 0.00 33.50 32.94 1ih7 n PRO 458 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ih7 n ASN 459 N -1.64 0.59 0.00 2.55 2.04 -1.26 -4.85 115.26 112.69 1ih7 n ASN 459 Ca -0.00 -0.65 0.00 0.00 -0.44 0.00 0.00 54.58 53.48 1ih7 n ASN 459 Cb 0.06 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 1ih7 n ASN 459 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ih7 n GLY 460 N 1.28 1.07 3.90 4.83 0.00 -0.83 -4.93 105.19 110.52 1ih7 n GLY 460 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1ih7 n GLY 460 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ih7 s MET 461 N -0.52 3.64 0.01 1.61 -1.94 -1.23 -1.87 119.30 119.00 1ih7 s MET 461 Ca 0.00 -0.05 0.04 0.00 -1.71 0.00 0.00 55.69 53.97 1ih7 s MET 461 Cb 0.00 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 34.02 1ih7 s MET 461 CO 0.00 0.42 -0.13 -1.64 -0.01 0.00 0.00 175.02 173.67 1ih7 s MET 462 N -2.79 0.93 0.11 2.03 -1.94 0.06 -2.33 119.30 115.37 1ih7 s MET 462 Ca 0.42 -0.57 0.04 0.00 -1.71 0.00 0.00 55.69 53.87 1ih7 s MET 462 Cb -0.12 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.78 1ih7 s MET 462 CO 0.25 0.24 -0.11 0.71 -0.01 0.00 0.00 175.02 176.10 1ih7 s TYR 463 N -0.54 1.16 0.36 -0.03 1.51 0.43 0.18 117.35 120.43 1ih7 s TYR 463 Ca 0.03 -0.67 -0.26 0.00 -1.01 0.00 0.00 57.07 55.16 1ih7 s TYR 463 Cb -0.06 -0.62 -0.09 0.00 -0.11 0.00 0.00 41.96 41.08 1ih7 s TYR 463 CO 0.00 0.04 1.15 0.71 -1.11 0.00 0.00 175.55 176.34 1ih7 s TYR 464 N -2.63 3.22 -0.13 2.71 1.51 -0.47 -1.14 117.35 120.43 1ih7 s TYR 464 Ca 0.09 1.59 0.17 0.00 -1.01 0.00 0.00 57.07 57.91 1ih7 s TYR 464 Cb -0.02 -3.35 -0.23 0.00 -0.11 0.00 0.00 41.96 38.25 1ih7 s TYR 464 CO 0.01 -1.07 0.39 1.63 -1.11 0.00 0.00 175.55 175.40 1ih7 n LYS 465 N 0.40 0.66 0.17 -0.62 5.02 -1.26 -4.30 118.16 118.23 1ih7 n LYS 465 Ca 0.03 0.07 0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1ih7 n LYS 465 Cb 0.46 -1.63 0.25 0.00 -0.02 0.00 0.00 35.03 34.09 1ih7 n LYS 465 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1ih7 h ASP 466 N 0.00 0.00 -2.90 4.39 2.03 -1.93 -3.45 116.42 114.56 1ih7 h ASP 466 Ca -0.35 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.32 1ih7 h ASP 466 Cb 1.91 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 40.35 1ih7 h ASP 466 CO 0.04 0.45 -0.29 -0.13 -1.03 0.00 0.00 179.24 178.28 1ih7 s ARG 467 N -3.47 3.77 0.06 4.15 0.52 -1.26 -5.03 118.95 117.68 1ih7 s ARG 467 Ca 0.01 0.24 -0.24 0.00 -0.52 0.00 0.00 55.73 55.22 1ih7 s ARG 467 Cb 0.11 -3.21 -0.12 0.00 0.52 0.00 0.00 34.95 32.25 1ih7 s ARG 467 CO 0.71 0.72 1.37 0.38 0.02 0.00 0.00 175.30 178.50 1ih7 h ASP 468 N 4.76 -0.93 -0.87 0.23 2.03 -1.92 -3.47 116.42 116.25 1ih7 h ASP 468 Ca -0.53 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1ih7 h ASP 468 Cb 1.22 0.31 0.00 0.00 -0.83 0.00 0.00 39.33 40.03 1ih7 h ASP 468 CO 0.60 -0.45 0.00 0.61 -1.03 0.00 0.00 179.24 178.97 1ih7 n GLY 469 N -1.38 0.16 0.13 7.15 0.00 -1.26 -4.44 105.19 105.55 1ih7 n GLY 469 Ca -0.08 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1ih7 n GLY 469 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ih7 h VAL 470 N 0.00 0.79 0.19 1.61 2.07 -1.96 -0.56 116.25 118.38 1ih7 h VAL 470 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ih7 h VAL 470 Cb 0.00 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1ih7 h VAL 470 CO 0.00 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 178.08 1ih7 h VAL 471 N -0.19 0.88 -0.53 2.57 2.07 -1.92 -1.74 116.25 117.39 1ih7 h VAL 471 Ca 0.01 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1ih7 h VAL 471 Cb 0.19 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1ih7 h VAL 471 CO -0.04 0.07 0.17 1.55 0.02 0.00 0.00 177.57 179.34 1ih7 h PRO 472 N -0.40 0.79 -0.62 1.57 0.13 -1.75 -1.79 132.00 129.93 1ih7 h PRO 472 Ca -0.03 -0.14 -0.05 0.00 -0.87 0.00 0.00 66.00 64.92 1ih7 h PRO 472 Cb 0.31 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 1ih7 h PRO 472 CO 0.04 0.68 0.21 1.15 -0.23 0.00 0.00 178.00 179.85 1ih7 h THR 473 N 0.77 1.24 -0.37 1.56 2.02 -1.03 -1.42 112.91 115.68 1ih7 h THR 473 Ca 0.18 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 1ih7 h THR 473 Cb 0.22 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1ih7 h THR 473 CO -0.01 0.31 -0.10 -0.08 0.37 0.00 0.00 175.52 176.01 1ih7 h GLU 474 N 0.88 0.64 -0.22 6.66 4.57 -0.94 -1.56 114.58 124.62 1ih7 h GLU 474 Ca 0.20 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1ih7 h GLU 474 Cb 0.27 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1ih7 h GLU 474 CO -0.01 0.73 0.02 0.82 -1.18 0.00 0.00 179.01 179.39 1ih7 h ILE 475 N 0.59 1.24 -0.76 2.32 2.04 -1.04 -2.51 117.51 119.40 1ih7 h ILE 475 Ca 0.11 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1ih7 h ILE 475 Cb 0.52 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1ih7 h ILE 475 CO 0.03 0.26 0.47 0.74 0.00 0.00 0.00 178.15 179.65 1ih7 h THR 476 N 0.16 1.08 -0.20 -0.27 2.02 -1.04 -0.34 112.91 114.33 1ih7 h THR 476 Ca 0.06 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.96 1ih7 h THR 476 Cb 0.36 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1ih7 h THR 476 CO 0.01 0.17 0.01 0.11 0.37 0.00 0.00 175.52 176.18 1ih7 h LYS 477 N 0.91 0.07 -0.60 6.66 1.57 -1.11 0.83 116.57 124.90 1ih7 h LYS 477 Ca 0.31 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1ih7 h LYS 477 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1ih7 h LYS 477 CO -0.13 0.05 0.20 0.28 -0.57 0.00 0.00 179.45 179.27 1ih7 h VAL 478 N 0.07 1.23 -0.61 0.50 2.07 -0.99 -0.15 116.25 118.37 1ih7 h VAL 478 Ca 0.09 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1ih7 h VAL 478 Cb 0.11 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1ih7 h VAL 478 CO -0.15 0.30 0.02 0.15 0.02 0.00 0.00 177.57 177.91 1ih7 h PHE 479 N 0.87 1.14 -0.13 1.57 3.04 -0.47 -0.85 116.94 122.12 1ih7 h PHE 479 Ca 0.20 -0.19 -0.13 0.00 3.98 0.00 0.00 57.97 61.83 1ih7 h PHE 479 Cb 0.24 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1ih7 h PHE 479 CO 0.02 1.00 -0.48 -0.91 -2.02 0.00 0.00 178.31 175.92 1ih7 h ASN 480 N 0.96 0.36 0.09 0.41 2.35 -0.45 -2.77 115.58 116.53 1ih7 h ASN 480 Ca 0.17 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1ih7 h ASN 480 Cb 0.53 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1ih7 h ASN 480 CO 0.03 0.79 -0.40 1.56 -1.65 0.00 0.00 177.43 177.76 1ih7 h GLN 481 N 0.27 0.40 -0.53 0.81 4.20 -0.72 -2.25 115.11 117.29 1ih7 h GLN 481 Ca 0.01 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1ih7 h GLN 481 Cb 0.95 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1ih7 h GLN 481 CO 0.08 0.73 0.15 -0.09 -0.67 0.00 0.00 178.83 179.03 1ih7 h ARG 482 N 0.33 0.84 -0.71 1.46 2.43 -0.89 -1.87 114.38 115.97 1ih7 h ARG 482 Ca 0.03 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1ih7 h ARG 482 Cb 0.85 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1ih7 h ARG 482 CO 0.07 0.78 0.22 0.87 -1.51 0.00 0.00 179.97 180.40 1ih7 h LYS 483 N 0.74 1.09 -0.26 0.20 1.57 -1.36 -1.00 116.57 117.56 1ih7 h LYS 483 Ca 0.17 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ih7 h LYS 483 Cb 0.30 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1ih7 h LYS 483 CO -0.00 0.93 0.10 1.49 -0.57 0.00 0.00 179.45 181.41 1ih7 h GLU 484 N 1.05 0.22 0.00 3.15 4.81 -0.99 0.17 114.58 123.01 1ih7 h GLU 484 Ca 0.23 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1ih7 h GLU 484 Cb 0.30 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1ih7 h GLU 484 CO -0.01 0.15 -0.25 0.45 -0.73 0.00 0.00 179.01 178.62 1ih7 h HIS 485 N 0.23 0.00 -0.33 0.92 3.86 -1.17 -1.84 115.15 116.83 1ih7 h HIS 485 Ca 0.11 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.19 1ih7 h HIS 485 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1ih7 h HIS 485 CO -0.12 0.25 -0.34 -0.22 0.86 0.00 0.00 177.93 178.37 1ih7 h LYS 486 N 0.00 0.74 -0.63 2.45 1.63 -0.48 -1.34 116.57 118.94 1ih7 h LYS 486 Ca -0.00 -0.35 -0.07 0.00 -0.85 0.00 0.00 60.65 59.38 1ih7 h LYS 486 Cb 0.84 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 1ih7 h LYS 486 CO 0.03 0.96 0.12 0.78 -3.45 0.00 0.00 179.45 177.89 1ih7 h GLY 487 N 0.95 1.11 1.01 5.01 0.00 -0.24 -1.80 103.07 109.12 1ih7 h GLY 487 Ca 0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 1ih7 h GLY 487 CO 0.08 0.67 0.19 -0.97 0.00 0.00 0.00 176.54 176.51 1ih7 h TYR 488 N 0.94 0.99 -0.38 5.60 0.05 -1.10 -0.84 116.97 122.22 1ih7 h TYR 488 Ca 0.19 -0.10 0.03 0.00 0.05 0.00 0.00 58.73 58.90 1ih7 h TYR 488 Cb 0.41 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1ih7 h TYR 488 CO 0.03 0.81 0.20 1.98 -1.05 0.00 0.00 178.16 180.14 1ih7 h MET 489 N 0.88 0.40 -0.20 4.88 4.05 -0.97 0.03 114.93 123.99 1ih7 h MET 489 Ca 0.20 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.45 1ih7 h MET 489 Cb 0.29 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1ih7 h MET 489 CO -0.01 0.26 -0.47 -0.07 0.23 0.00 0.00 176.91 176.86 1ih7 h LEU 490 N 0.41 0.56 -0.24 3.39 3.38 -1.13 -2.60 115.31 119.07 1ih7 h LEU 490 Ca 0.16 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1ih7 h LEU 490 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ih7 h LEU 490 CO -0.10 0.94 0.02 0.00 0.09 0.00 0.00 178.44 179.39 1ih7 h ALA 491 N 1.08 0.33 0.00 1.53 0.00 -0.85 -0.77 119.26 120.58 1ih7 h ALA 491 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ih7 h ALA 491 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ih7 h ALA 491 CO 0.09 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1ih7 n ALA 492 N -2.33 1.34 -0.08 0.00 0.00 -0.03 -1.07 120.51 118.34 1ih7 n ALA 492 Ca -0.04 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1ih7 n ALA 492 Cb 0.22 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1ih7 n ALA 492 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ih7 h GLN 493 N 0.00 0.00 -0.37 0.00 4.15 -0.88 -2.88 115.11 115.12 1ih7 h GLN 493 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1ih7 h GLN 493 Cb 0.15 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1ih7 h GLN 493 CO 0.00 0.67 0.13 0.00 -1.93 0.00 0.00 178.83 177.70 1ih7 h ARG 494 N -1.00 0.53 -0.14 1.69 3.08 -0.65 -1.62 114.38 116.28 1ih7 h ARG 494 Ca -0.13 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 1ih7 h ARG 494 Cb 0.88 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1ih7 h ARG 494 CO -0.08 0.46 -0.44 -0.91 -1.07 0.00 0.00 179.97 177.93 1ih7 h ASN 495 N 0.53 0.35 0.07 7.04 2.35 -1.24 -2.60 115.58 122.08 1ih7 h ASN 495 Ca 0.13 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1ih7 h ASN 495 Cb 0.15 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1ih7 h ASN 495 CO -0.01 0.75 -0.19 1.23 -1.65 0.00 0.00 177.43 177.55 1ih7 h GLY 496 N 1.21 0.27 1.41 2.83 0.00 -1.07 -2.29 103.07 105.43 1ih7 h GLY 496 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 1ih7 h GLY 496 CO 0.07 0.17 -0.69 0.83 0.00 0.00 0.00 176.54 176.92 1ih7 h GLU 497 N 0.23 0.59 -0.45 4.80 4.39 -1.12 -1.73 114.58 121.29 1ih7 h GLU 497 Ca 0.04 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.24 1ih7 h GLU 497 Cb 0.48 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1ih7 h GLU 497 CO 0.03 1.07 0.04 0.82 -1.16 0.00 0.00 179.01 179.81 1ih7 h ILE 498 N 0.42 1.22 -0.13 3.13 2.04 -1.17 -0.61 117.51 122.41 1ih7 h ILE 498 Ca -0.03 -0.87 -0.17 0.00 1.00 0.00 0.00 64.86 64.80 1ih7 h ILE 498 Cb 1.28 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1ih7 h ILE 498 CO 0.13 0.31 -0.63 0.40 0.00 0.00 0.00 178.15 178.36 1ih7 h ILE 499 N 0.68 1.35 -0.28 -0.67 2.04 -1.28 -2.87 117.51 116.47 1ih7 h ILE 499 Ca 0.14 -1.94 -0.17 0.00 1.00 0.00 0.00 64.86 63.90 1ih7 h ILE 499 Cb 0.36 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1ih7 h ILE 499 CO 0.01 0.59 -0.49 0.11 0.00 0.00 0.00 178.15 178.37 1ih7 h LYS 500 N 0.35 0.78 0.00 2.37 1.57 -0.92 -2.25 116.57 118.47 1ih7 h LYS 500 Ca -0.01 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1ih7 h LYS 500 Cb 1.18 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1ih7 h LYS 500 CO 0.11 1.09 -0.08 0.93 -0.57 0.00 0.00 179.45 180.93 1ih7 h GLU 501 N 0.61 0.00 0.00 3.15 4.39 -1.09 -1.82 114.58 119.82 1ih7 h GLU 501 Ca 0.03 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.51 1ih7 h GLU 501 Cb 1.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 1ih7 h GLU 501 CO 0.11 0.08 -1.16 0.00 -1.16 0.00 0.00 179.01 176.87 1ih7 h ALA 502 N 1.92 0.52 0.00 3.43 0.00 -1.25 -3.26 119.26 120.63 1ih7 h ALA 502 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1ih7 h ALA 502 Cb 0.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ih7 h ALA 502 CO 0.01 1.25 0.00 1.28 0.00 0.00 0.00 179.25 181.79 1ih7 n LEU 503 N -3.22 0.00 -4.33 0.00 4.77 -0.68 -3.96 117.00 109.58 1ih7 n LEU 503 Ca -0.05 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.47 1ih7 n LEU 503 Cb 0.94 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.99 1ih7 n LEU 503 CO 0.45 0.00 0.28 -1.00 -1.33 0.00 0.00 177.39 175.80 1ih7 s HIS 504 N -2.00 3.38 -0.66 -1.77 3.76 -1.23 -4.55 115.29 112.22 1ih7 s HIS 504 Ca 0.02 -1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 53.45 1ih7 s HIS 504 Cb 0.01 -3.84 -0.01 0.00 1.11 0.00 0.00 32.58 29.85 1ih7 s HIS 504 CO 0.02 -1.05 0.61 0.09 -0.85 0.00 0.00 174.74 173.56 1ih7 n ASN 505 N 5.00 -6.73 -4.87 1.40 3.02 -1.26 -5.01 115.26 106.82 1ih7 n ASN 505 Ca -0.04 -0.14 -0.31 0.00 -0.03 0.00 0.00 54.58 54.07 1ih7 n ASN 505 Cb 0.43 -4.59 -0.03 0.00 -0.61 0.00 0.00 39.78 34.97 1ih7 n ASN 505 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ih7 s PRO 506 N -3.17 3.83 0.77 3.52 0.04 -1.25 -5.04 135.00 133.70 1ih7 s PRO 506 Ca 0.06 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 61.55 1ih7 s PRO 506 Cb -0.01 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1ih7 s PRO 506 CO 0.63 -0.09 1.09 0.09 0.04 0.00 0.00 177.00 178.75 1ih7 n ASN 507 N -1.35 0.78 0.04 6.66 4.13 -1.22 -4.80 115.26 119.50 1ih7 n ASN 507 Ca 0.03 0.63 0.02 0.00 1.68 0.00 0.00 54.58 56.94 1ih7 n ASN 507 Cb 0.54 -1.46 -0.07 0.00 -1.54 0.00 0.00 39.78 37.25 1ih7 n ASN 507 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ih7 n LEU 508 N -2.45 0.85 -4.59 3.41 4.32 -1.26 -4.05 117.00 113.22 1ih7 n LEU 508 Ca 0.13 0.37 -0.45 0.00 -0.02 0.00 0.00 56.01 56.04 1ih7 n LEU 508 Cb 0.50 0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 1ih7 n LEU 508 CO 0.48 0.09 0.60 -1.20 -1.22 0.00 0.00 177.39 176.14 1ih7 n SER 509 N -2.85 1.35 -4.74 -1.43 7.64 -1.26 -4.91 113.62 107.42 1ih7 n SER 509 Ca -0.08 1.18 -0.41 0.00 1.01 0.00 0.00 58.87 60.56 1ih7 n SER 509 Cb 0.79 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.67 1ih7 n SER 509 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ih7 s VAL 510 N -0.95 3.65 0.10 0.44 1.01 -1.26 -4.21 120.40 119.18 1ih7 s VAL 510 Ca 0.60 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.95 1ih7 s VAL 510 Cb -0.71 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 31.78 1ih7 s VAL 510 CO 0.59 0.24 0.25 -0.90 0.00 0.00 0.00 175.10 175.28 1ih7 n ASP 511 N 2.37 -0.62 -4.40 3.32 3.85 -1.26 -5.02 116.55 114.79 1ih7 n ASP 511 Ca 0.03 -1.41 -0.23 0.00 -0.71 0.00 0.00 54.79 52.48 1ih7 n ASP 511 Cb 0.45 1.03 -0.11 0.00 -1.35 0.00 0.00 41.12 41.15 1ih7 n ASP 511 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1ih7 s GLU 512 N -2.02 1.46 0.62 0.11 0.41 -1.26 -4.72 118.70 113.30 1ih7 s GLU 512 Ca 0.05 -1.59 -0.17 0.00 -0.41 0.00 0.00 54.97 52.85 1ih7 s GLU 512 Cb -0.01 -1.51 -0.02 0.00 -1.78 0.00 0.00 34.13 30.80 1ih7 s GLU 512 CO 0.03 0.29 1.15 -1.25 -0.49 0.00 0.00 175.26 175.00 1ih7 s PRO 513 N -3.21 2.91 0.46 0.39 0.04 -1.26 -4.95 135.00 129.38 1ih7 s PRO 513 Ca 0.23 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 1ih7 s PRO 513 Cb -0.05 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1ih7 s PRO 513 CO 0.10 -1.21 1.06 -0.51 0.04 0.00 0.00 177.00 176.48 1ih7 s LEU 514 N -4.39 3.95 -0.85 -3.56 1.02 -1.26 -4.98 118.68 108.61 1ih7 s LEU 514 Ca 0.72 2.01 -0.18 0.00 0.02 0.00 0.00 54.13 56.70 1ih7 s LEU 514 Cb -0.25 -4.41 0.15 0.00 0.02 0.00 0.00 46.19 41.69 1ih7 s LEU 514 CO 0.36 -0.72 0.97 -1.81 0.02 0.00 0.00 176.35 175.17 1ih7 s ASP 515 N -1.78 6.58 0.26 2.29 1.01 -1.26 -5.00 116.67 118.77 1ih7 s ASP 515 Ca 0.64 -2.07 0.04 0.00 0.71 0.00 0.00 52.55 51.87 1ih7 s ASP 515 Cb -0.20 -2.34 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1ih7 s ASP 515 CO 0.24 -0.97 0.02 0.68 0.21 0.00 0.00 175.17 175.35 1ih7 s VAL 516 N 2.14 1.06 -0.41 -1.27 -7.23 -1.26 -5.12 120.40 108.30 1ih7 s VAL 516 Ca 0.26 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.24 1ih7 s VAL 516 Cb -0.09 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1ih7 s VAL 516 CO -0.06 -0.20 0.36 -0.62 -0.31 0.00 0.00 175.10 174.27 1ih7 s ASP 517 N -3.36 6.15 0.00 4.85 -1.08 -1.26 -4.95 116.67 117.01 1ih7 s ASP 517 Ca 0.32 -0.76 0.22 0.00 -0.52 0.00 0.00 52.55 51.80 1ih7 s ASP 517 Cb 0.07 -2.19 1.32 0.00 -1.46 0.00 0.00 42.92 40.66 1ih7 s ASP 517 CO 0.11 -0.49 1.72 -1.22 0.52 0.00 0.00 175.17 175.81 1ih7 n TYR 518 N 5.35 0.00 1.06 -5.34 4.02 -1.26 -3.08 117.16 117.92 1ih7 n TYR 518 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.93 1ih7 n TYR 518 Cb 0.47 0.00 0.44 0.00 -0.02 0.00 0.00 39.34 40.24 1ih7 n TYR 518 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ih7 n ARG 519 N -0.96 0.12 -4.56 -0.72 1.74 -1.26 -2.50 116.66 108.52 1ih7 n ARG 519 Ca 0.17 -0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.97 1ih7 n ARG 519 Cb 0.08 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.88 1ih7 n ARG 519 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ih7 s PHE 520 N -2.91 1.55 0.29 -1.55 0.08 -1.18 -4.38 117.98 109.88 1ih7 s PHE 520 Ca 0.15 -0.35 -0.29 0.00 0.12 0.00 0.00 56.93 56.56 1ih7 s PHE 520 Cb 0.18 -0.93 -0.13 0.00 -0.57 0.00 0.00 43.02 41.57 1ih7 s PHE 520 CO 0.60 0.05 1.20 -0.25 -0.10 0.00 0.00 175.22 176.72 1ih7 n ASP 521 N 2.00 2.12 -4.74 1.36 8.00 -1.26 -4.89 116.55 119.14 1ih7 n ASP 521 Ca -0.17 1.18 -0.42 0.00 0.71 0.00 0.00 54.79 56.09 1ih7 n ASP 521 Cb 0.54 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.23 1ih7 n ASP 521 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ih7 s PHE 522 N -0.83 2.94 1.05 1.24 0.08 -1.26 -5.00 117.98 116.21 1ih7 s PHE 522 Ca 0.60 0.78 -0.14 0.00 0.12 0.00 0.00 56.93 58.29 1ih7 s PHE 522 Cb -0.65 -3.95 0.22 0.00 -0.57 0.00 0.00 43.02 38.06 1ih7 s PHE 522 CO 0.58 -3.31 1.10 -1.54 -0.10 0.00 0.00 175.22 171.96 1ih7 s SER 523 N 0.69 2.18 0.07 1.36 1.04 -1.26 -4.81 113.70 112.97 1ih7 s SER 523 Ca 0.65 0.99 -0.26 0.00 0.48 0.00 0.00 55.95 57.81 1ih7 s SER 523 Cb -0.45 -1.53 -0.16 0.00 0.10 0.00 0.00 66.02 63.97 1ih7 s SER 523 CO 0.40 -3.38 1.64 0.44 0.98 0.00 0.00 173.24 173.32 1ih7 h ASP 524 N -2.07 -0.21 -0.65 7.02 5.19 -2.00 -2.32 116.42 121.39 1ih7 h ASP 524 Ca -0.52 -0.04 0.13 0.00 -0.62 0.00 0.00 57.03 55.98 1ih7 h ASP 524 Cb 1.32 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.85 1ih7 h ASP 524 CO 0.52 -0.10 0.44 1.05 -3.12 0.00 0.00 179.24 178.03 1ih7 h GLU 525 N -0.31 0.30 -0.10 3.56 9.09 -2.00 -1.41 114.58 123.70 1ih7 h GLU 525 Ca -0.03 -0.02 -0.23 0.00 0.05 0.00 0.00 59.36 59.14 1ih7 h GLU 525 Cb 0.24 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 27.28 1ih7 h GLU 525 CO 0.04 0.20 -0.83 0.82 0.05 0.00 0.00 179.01 179.28 1ih7 h ILE 526 N 0.30 1.30 0.00 -1.06 2.04 -1.86 -2.92 117.51 115.32 1ih7 h ILE 526 Ca 0.31 -2.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.02 1ih7 h ILE 526 Cb 0.80 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1ih7 h ILE 526 CO -0.08 0.65 -0.32 0.11 0.00 0.00 0.00 178.15 178.51 1ih7 h LYS 527 N 0.45 0.00 -0.05 2.37 1.57 -0.73 -1.25 116.57 118.93 1ih7 h LYS 527 Ca -0.07 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 1ih7 h LYS 527 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1ih7 h LYS 527 CO 0.16 0.32 -0.85 0.93 -0.57 0.00 0.00 179.45 179.44 1ih7 h GLU 528 N 0.00 0.51 -0.21 3.15 5.08 -1.36 -2.85 114.58 118.90 1ih7 h GLU 528 Ca -0.00 -0.47 -0.16 0.00 -1.00 0.00 0.00 59.36 57.72 1ih7 h GLU 528 Cb 0.59 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1ih7 h GLU 528 CO 0.04 1.11 -0.51 0.87 -1.00 0.00 0.00 179.01 179.52 1ih7 h LYS 529 N 0.32 0.60 0.00 2.33 1.57 -1.29 -2.87 116.57 117.22 1ih7 h LYS 529 Ca -0.06 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1ih7 h LYS 529 Cb 1.47 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 1ih7 h LYS 529 CO 0.15 0.97 -0.06 0.82 -0.57 0.00 0.00 179.45 180.76 1ih7 h ILE 530 N 0.47 0.50 0.00 1.86 2.04 -1.17 -1.25 117.51 119.96 1ih7 h ILE 530 Ca 0.02 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1ih7 h ILE 530 Cb 1.06 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1ih7 h ILE 530 CO 0.10 0.06 0.00 0.29 0.00 0.00 0.00 178.15 178.60 1ih7 n LYS 531 N -3.68 0.03 -0.04 2.37 5.02 -1.08 -3.06 118.16 117.72 1ih7 n LYS 531 Ca -0.02 0.20 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1ih7 n LYS 531 Cb 0.16 -1.55 0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1ih7 n LYS 531 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ih7 n LYS 532 N -1.60 1.07 -2.52 1.97 5.02 -0.47 -4.76 118.16 116.87 1ih7 n LYS 532 Ca 0.04 -1.23 -0.33 0.00 -2.02 0.00 0.00 58.31 54.78 1ih7 n LYS 532 Cb 0.23 -1.12 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 1ih7 n LYS 532 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ih7 s LEU 533 N -0.69 3.73 0.82 -0.35 2.01 -1.17 -4.67 118.68 118.36 1ih7 s LEU 533 Ca 0.09 1.65 -0.12 0.00 0.01 0.00 0.00 54.13 55.76 1ih7 s LEU 533 Cb 0.05 -4.52 0.09 0.00 0.01 0.00 0.00 46.19 41.82 1ih7 s LEU 533 CO 0.08 -0.57 1.18 -0.94 1.01 0.00 0.00 176.35 177.10 1ih7 s SER 534 N -2.68 4.40 0.13 2.29 1.04 -1.26 -3.37 113.70 114.25 1ih7 s SER 534 Ca 0.61 0.80 -0.17 0.00 0.48 0.00 0.00 55.95 57.67 1ih7 s SER 534 Cb -0.10 -1.30 -0.02 0.00 0.10 0.00 0.00 66.02 64.70 1ih7 s SER 534 CO 0.25 -1.98 1.71 0.00 0.98 0.00 0.00 173.24 174.20 1ih7 h ALA 535 N -1.11 0.46 -0.50 5.32 0.00 -1.87 -1.53 119.26 120.03 1ih7 h ALA 535 Ca -0.46 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.43 1ih7 h ALA 535 Cb 1.33 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1ih7 h ALA 535 CO 0.66 0.02 0.09 -0.22 0.00 0.00 0.00 179.25 179.79 1ih7 h LYS 536 N 0.44 0.22 -0.40 0.00 3.64 -1.94 0.15 116.57 118.69 1ih7 h LYS 536 Ca 0.12 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1ih7 h LYS 536 Cb 0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1ih7 h LYS 536 CO -0.02 0.14 -0.16 0.77 -2.27 0.00 0.00 179.45 177.92 1ih7 h SER 537 N 0.22 0.82 -0.43 4.20 0.02 -1.80 -2.50 113.55 114.07 1ih7 h SER 537 Ca 0.25 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1ih7 h SER 537 Cb 0.34 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1ih7 h SER 537 CO -0.33 1.03 0.25 -0.07 -1.14 0.00 0.00 176.83 176.56 1ih7 h LEU 538 N 0.61 0.53 -1.45 5.07 3.38 -0.74 -0.28 115.31 122.45 1ih7 h LEU 538 Ca 0.09 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ih7 h LEU 538 Cb 0.70 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1ih7 h LEU 538 CO 0.05 0.45 0.08 0.78 0.09 0.00 0.00 178.44 179.89 1ih7 h ASN 539 N 0.57 0.41 -0.10 -0.43 2.35 -0.67 0.13 115.58 117.84 1ih7 h ASN 539 Ca 0.15 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 1ih7 h ASN 539 Cb 0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1ih7 h ASN 539 CO -0.03 0.41 -0.50 -0.08 -1.65 0.00 0.00 177.43 175.59 1ih7 h GLU 540 N 0.44 0.67 -0.17 0.81 4.57 -0.97 -1.95 114.58 117.98 1ih7 h GLU 540 Ca 0.11 -0.39 -0.10 0.00 -1.18 0.00 0.00 59.36 57.79 1ih7 h GLU 540 Cb 0.17 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1ih7 h GLU 540 CO -0.00 1.01 -0.34 0.52 -1.18 0.00 0.00 179.01 179.01 1ih7 h MET 541 N 0.53 0.36 -0.27 1.92 2.86 0.18 -2.37 114.93 118.13 1ih7 h MET 541 Ca 0.02 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1ih7 h MET 541 Cb 1.05 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1ih7 h MET 541 CO 0.10 0.66 -0.16 1.25 1.06 0.00 0.00 176.91 179.82 1ih7 h LEU 542 N 0.31 0.61 -0.78 1.22 5.85 -0.61 -0.98 115.31 120.94 1ih7 h LEU 542 Ca 0.04 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1ih7 h LEU 542 Cb 0.75 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 1ih7 h LEU 542 CO 0.06 0.90 0.44 0.15 -0.34 0.00 0.00 178.44 179.65 1ih7 h PHE 543 N 0.33 0.80 -0.32 1.25 3.57 -1.17 -1.47 116.94 119.93 1ih7 h PHE 543 Ca 0.06 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1ih7 h PHE 543 Cb 0.68 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1ih7 h PHE 543 CO 0.06 0.35 -0.42 0.00 -2.23 0.00 0.00 178.31 176.07 1ih7 h ARG 544 N 0.77 0.79 -0.68 1.11 3.08 -1.24 -1.67 114.38 116.54 1ih7 h ARG 544 Ca 0.37 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1ih7 h ARG 544 Cb 0.30 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1ih7 h ARG 544 CO -0.22 1.06 0.39 0.00 -1.07 0.00 0.00 179.97 180.12 1ih7 h ALA 545 N 0.88 0.87 -0.41 0.04 0.00 -0.62 -1.15 119.26 118.87 1ih7 h ALA 545 Ca 0.05 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1ih7 h ALA 545 Cb 0.99 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ih7 h ALA 545 CO 0.09 0.38 -0.28 1.96 0.00 0.00 0.00 179.25 181.40 1ih7 h GLN 546 N 0.93 0.89 -0.98 0.00 4.20 -1.22 -0.82 115.11 118.11 1ih7 h GLN 546 Ca 0.24 -0.40 0.05 0.00 0.06 0.00 0.00 58.65 58.60 1ih7 h GLN 546 Cb 0.02 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1ih7 h GLN 546 CO -0.04 1.05 0.64 -0.09 -0.67 0.00 0.00 178.83 179.72 1ih7 h ARG 547 N 0.76 1.15 -0.31 1.46 2.43 -0.97 -0.55 114.38 118.34 1ih7 h ARG 547 Ca 0.09 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 1ih7 h ARG 547 Cb 0.84 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1ih7 h ARG 547 CO 0.07 0.76 -0.43 1.15 -1.51 0.00 0.00 179.97 180.01 1ih7 h THR 548 N 1.19 1.28 -0.03 0.20 2.02 -0.72 -2.31 112.91 114.53 1ih7 h THR 548 Ca 0.41 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1ih7 h THR 548 Cb 0.10 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1ih7 h THR 548 CO -0.15 0.53 0.02 -0.08 0.37 0.00 0.00 175.52 176.21 1ih7 h GLU 549 N 0.64 0.05 -0.64 6.66 4.81 -0.17 -1.23 114.58 124.69 1ih7 h GLU 549 Ca 0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1ih7 h GLU 549 Cb 1.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1ih7 h GLU 549 CO 0.10 0.10 0.41 0.28 -0.73 0.00 0.00 179.01 179.17 1ih7 h VAL 550 N -0.02 1.12 -0.69 0.32 2.07 -1.11 0.65 116.25 118.60 1ih7 h VAL 550 Ca 0.01 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1ih7 h VAL 550 Cb 0.07 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1ih7 h VAL 550 CO -0.00 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.15 1ih7 h ALA 551 N 1.26 1.42 -0.47 1.67 0.00 -1.22 0.23 119.26 122.15 1ih7 h ALA 551 Ca 0.25 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1ih7 h ALA 551 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1ih7 h ALA 551 CO -0.08 0.50 -0.19 0.78 0.00 0.00 0.00 179.25 180.26 1ih7 h GLY 552 N 0.98 1.02 0.86 0.00 0.00 -0.26 -1.03 103.07 104.65 1ih7 h GLY 552 Ca 0.25 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1ih7 h GLY 552 CO -0.05 0.80 -0.05 1.98 0.00 0.00 0.00 176.54 179.22 1ih7 h MET 553 N 0.82 -0.14 -0.67 4.80 -1.53 0.26 -1.95 114.93 116.53 1ih7 h MET 553 Ca 0.11 0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.42 1ih7 h MET 553 Cb 0.75 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.79 1ih7 h MET 553 CO 0.06 0.04 0.40 1.15 0.14 0.00 0.00 176.91 178.70 1ih7 h THR 554 N -0.29 1.04 -0.76 -0.77 2.02 -0.50 -1.52 112.91 112.14 1ih7 h THR 554 Ca -0.01 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1ih7 h THR 554 Cb 0.24 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1ih7 h THR 554 CO 0.02 0.14 0.48 0.00 0.37 0.00 0.00 175.52 176.53 1ih7 h ALA 555 N 1.31 0.96 0.00 6.16 0.00 -1.03 -0.14 119.26 126.52 1ih7 h ALA 555 Ca 0.28 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1ih7 h ALA 555 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ih7 h ALA 555 CO -0.13 0.40 -0.55 -0.56 0.00 0.00 0.00 179.25 178.41 1ih7 h GLN 556 N 1.03 0.00 -0.04 0.00 -0.00 -1.03 -2.30 115.11 112.77 1ih7 h GLN 556 Ca 0.27 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.70 1ih7 h GLN 556 Cb -0.08 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.41 1ih7 h GLN 556 CO -0.06 0.55 -0.89 0.82 -0.00 0.00 0.00 178.83 179.25 1ih7 h ILE 557 N 0.00 1.36 0.09 1.86 1.08 -0.97 -2.11 117.51 118.81 1ih7 h ILE 557 Ca -0.01 -2.28 0.01 0.00 -0.39 0.00 0.00 64.86 62.20 1ih7 h ILE 557 Cb 1.25 2.28 -0.02 0.00 -3.07 0.00 0.00 36.82 37.26 1ih7 h ILE 557 CO 0.07 0.69 -0.17 -1.13 -0.69 0.00 0.00 178.15 176.92 1ih7 h ASN 558 N 0.31 -0.47 -0.95 1.72 -1.24 -0.92 -0.84 115.58 113.20 1ih7 h ASN 558 Ca -0.07 0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.00 1ih7 h ASN 558 Cb 1.52 0.18 -0.05 0.00 0.73 0.00 0.00 38.32 40.70 1ih7 h ASN 558 CO 0.16 -0.24 0.62 0.03 -1.29 0.00 0.00 177.43 176.70 1ih7 h ARG 559 N -0.33 1.25 -0.34 6.67 2.47 -1.38 -0.82 114.38 121.91 1ih7 h ARG 559 Ca 0.03 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1ih7 h ARG 559 Cb 0.35 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1ih7 h ARG 559 CO -0.10 0.84 0.21 -0.22 0.56 0.00 0.00 179.97 181.26 1ih7 h LYS 560 N 1.29 0.42 -0.80 0.04 3.64 -1.00 -1.13 116.57 119.03 1ih7 h LYS 560 Ca 0.35 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1ih7 h LYS 560 Cb -0.13 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 1ih7 h LYS 560 CO -0.07 0.28 0.36 -0.07 -2.27 0.00 0.00 179.45 177.68 1ih7 h LEU 561 N 0.43 1.06 -0.10 5.20 3.38 -0.61 -1.03 115.31 123.65 1ih7 h LEU 561 Ca 0.13 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ih7 h LEU 561 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1ih7 h LEU 561 CO -0.05 0.91 0.01 -0.07 0.09 0.00 0.00 178.44 179.33 1ih7 h LEU 562 N 1.14 -0.02 -0.78 1.67 4.07 -0.70 -1.36 115.31 119.31 1ih7 h LEU 562 Ca 0.27 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.24 1ih7 h LEU 562 Cb 0.15 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1ih7 h LEU 562 CO -0.03 0.01 0.43 0.40 -1.08 0.00 0.00 178.44 178.17 1ih7 h ILE 563 N 0.04 1.23 0.00 1.22 2.04 -0.97 -2.39 117.51 118.69 1ih7 h ILE 563 Ca 0.04 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1ih7 h ILE 563 Cb 0.05 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1ih7 h ILE 563 CO -0.07 0.26 0.00 0.78 0.00 0.00 0.00 178.15 179.12 1ih7 h ASN 564 N 1.09 0.00 -0.00 1.72 2.35 -0.86 -3.12 115.58 116.75 1ih7 h ASN 564 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1ih7 h ASN 564 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1ih7 h ASN 564 CO -0.05 0.00 -0.85 -1.54 -1.65 0.00 0.00 177.43 173.35 1ih7 n SER 565 N -2.40 1.30 -0.18 5.81 3.41 -0.54 -4.51 113.62 116.51 1ih7 n SER 565 Ca 0.03 -1.15 -0.07 0.00 -0.26 0.00 0.00 58.87 57.42 1ih7 n SER 565 Cb 0.31 0.85 0.02 0.00 -0.26 0.00 0.00 64.21 65.13 1ih7 n SER 565 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ih7 h LEU 566 N 0.72 0.63 -0.84 1.04 5.85 -1.39 -2.76 115.31 118.55 1ih7 h LEU 566 Ca 0.00 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1ih7 h LEU 566 Cb 0.58 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1ih7 h LEU 566 CO 0.00 0.50 0.54 0.22 -0.34 0.00 0.00 178.44 179.36 1ih7 h TYR 567 N 0.70 1.02 -0.81 1.25 3.20 -1.79 -0.39 116.97 120.14 1ih7 h TYR 567 Ca 0.19 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.14 1ih7 h TYR 567 Cb -0.02 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 37.86 1ih7 h TYR 567 CO -0.03 0.58 0.53 0.78 -1.64 0.00 0.00 178.16 178.39 1ih7 h GLY 568 N 1.05 1.14 0.80 1.82 0.00 -1.77 -0.52 103.07 105.59 1ih7 h GLY 568 Ca 0.34 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1ih7 h GLY 568 CO -0.12 0.28 -0.09 0.00 0.00 0.00 0.00 176.54 176.61 1ih7 h ALA 569 N 1.55 0.27 0.00 3.60 0.00 -0.91 -2.94 119.26 120.84 1ih7 h ALA 569 Ca 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ih7 h ALA 569 Cb 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ih7 h ALA 569 CO -0.12 0.10 -0.02 -0.07 0.00 0.00 0.00 179.25 179.14 1ih7 h LEU 570 N 0.10 0.00 -2.16 0.00 3.38 -0.28 -1.33 115.31 115.02 1ih7 h LEU 570 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ih7 h LEU 570 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ih7 h LEU 570 CO 0.03 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1ih7 n GLY 571 N -0.66 1.61 3.57 0.83 0.00 -0.28 -4.37 105.19 105.88 1ih7 n GLY 571 Ca -0.02 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1ih7 n GLY 571 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ih7 s ASN 572 N -1.37 6.08 0.66 1.61 3.84 -0.50 -4.96 114.94 120.29 1ih7 s ASN 572 Ca 0.39 -0.12 0.33 0.00 0.21 0.00 0.00 52.86 53.67 1ih7 s ASN 572 Cb 0.22 -2.15 1.80 0.00 -0.55 0.00 0.00 41.25 40.57 1ih7 s ASN 572 CO 0.30 -0.15 2.03 -0.37 -2.79 0.00 0.00 177.10 176.12 1ih7 h VAL 573 N 5.43 0.05 -0.00 -5.21 -1.51 -1.89 0.80 116.25 113.91 1ih7 h VAL 573 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1ih7 h VAL 573 Cb 1.17 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1ih7 h VAL 573 CO 0.60 0.00 -0.24 0.79 -1.23 0.00 0.00 177.57 177.49 1ih7 n TRP 574 N -3.03 0.00 -2.53 5.19 7.02 -1.26 -4.47 117.44 118.35 1ih7 n TRP 574 Ca -0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.06 1ih7 n TRP 574 Cb 0.33 -0.21 -0.04 0.00 -2.42 0.00 0.00 31.31 28.97 1ih7 n TRP 574 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1ih7 s PHE 575 N -2.65 3.62 0.47 -5.99 5.36 0.27 -4.92 117.98 114.14 1ih7 s PHE 575 Ca 0.22 1.64 0.17 0.00 -0.96 0.00 0.00 56.93 58.00 1ih7 s PHE 575 Cb 0.19 -3.25 1.14 0.00 -0.34 0.00 0.00 43.02 40.76 1ih7 s PHE 575 CO 0.55 -0.50 2.00 -0.09 -1.46 0.00 0.00 175.22 175.72 1ih7 h ARG 576 N 4.85 0.26 -0.73 10.12 2.43 -1.89 -1.92 114.38 127.50 1ih7 h ARG 576 Ca -0.45 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1ih7 h ARG 576 Cb 1.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1ih7 h ARG 576 CO 0.71 0.17 0.00 0.66 -1.51 0.00 0.00 179.97 180.00 1ih7 n TYR 577 N -4.45 1.08 -1.89 2.20 4.02 -1.26 -4.78 117.16 112.07 1ih7 n TYR 577 Ca 0.09 -0.52 -0.41 0.00 -0.01 0.00 0.00 57.90 57.05 1ih7 n TYR 577 Cb 0.41 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 39.68 1ih7 n TYR 577 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1ih7 s TYR 578 N -1.15 2.71 -0.22 -0.72 6.14 -0.73 -4.75 117.35 118.63 1ih7 s TYR 578 Ca 0.50 1.25 -0.05 0.00 0.64 0.00 0.00 57.07 59.40 1ih7 s TYR 578 Cb 0.27 -3.91 0.11 0.00 0.42 0.00 0.00 41.96 38.85 1ih7 s TYR 578 CO 0.32 -2.66 0.42 0.34 0.64 0.00 0.00 175.55 174.61 1ih7 s ASP 579 N -0.29 -0.16 0.29 4.32 -1.08 -1.26 -5.04 116.67 113.46 1ih7 s ASP 579 Ca 0.53 0.75 0.04 0.00 -0.52 0.00 0.00 52.55 53.35 1ih7 s ASP 579 Cb -0.44 1.33 0.68 0.00 -1.46 0.00 0.00 42.92 43.02 1ih7 s ASP 579 CO 0.59 -0.25 1.77 0.25 0.52 0.00 0.00 175.17 178.05 1ih7 h LEU 580 N 8.17 0.70 -0.91 -1.34 5.85 -1.95 -0.73 115.31 125.10 1ih7 h LEU 580 Ca -0.17 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1ih7 h LEU 580 Cb 1.13 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1ih7 h LEU 580 CO 0.17 0.25 0.07 0.03 -0.34 0.00 0.00 178.44 178.62 1ih7 h ARG 581 N 0.72 0.87 -0.21 1.25 3.08 -1.99 -1.49 114.38 116.62 1ih7 h ARG 581 Ca 0.55 -0.21 -0.20 0.00 0.07 0.00 0.00 59.98 60.18 1ih7 h ARG 581 Cb 0.83 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1ih7 h ARG 581 CO -0.38 0.83 -0.67 -0.91 -1.07 0.00 0.00 179.97 177.76 1ih7 h ASN 582 N 0.82 0.92 -0.50 7.04 2.35 -1.60 -0.78 115.58 123.83 1ih7 h ASN 582 Ca 0.17 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.36 1ih7 h ASN 582 Cb 0.40 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1ih7 h ASN 582 CO 0.01 1.35 0.28 0.00 -1.65 0.00 0.00 177.43 177.42 1ih7 h ALA 583 N 0.65 0.64 -0.44 -0.83 0.00 -1.04 -1.84 119.26 116.40 1ih7 h ALA 583 Ca -0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ih7 h ALA 583 Cb 1.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ih7 h ALA 583 CO 0.14 0.15 -0.12 1.15 0.00 0.00 0.00 179.25 180.56 1ih7 h THR 584 N 0.66 1.26 -0.72 0.00 2.02 -1.25 -2.37 112.91 112.52 1ih7 h THR 584 Ca 0.18 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1ih7 h THR 584 Cb 0.03 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1ih7 h THR 584 CO -0.03 0.41 0.38 0.00 0.37 0.00 0.00 175.52 176.65 1ih7 h ALA 585 N 1.14 1.31 0.23 6.16 0.00 -0.72 -0.77 119.26 126.61 1ih7 h ALA 585 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ih7 h ALA 585 Cb 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ih7 h ALA 585 CO 0.04 0.55 -0.11 0.82 0.00 0.00 0.00 179.25 180.55 1ih7 h ILE 586 N 1.01 0.83 -0.52 0.00 2.04 -1.01 -2.51 117.51 117.35 1ih7 h ILE 586 Ca 0.25 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1ih7 h ILE 586 Cb 0.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1ih7 h ILE 586 CO -0.04 0.14 -0.10 0.71 0.00 0.00 0.00 178.15 178.86 1ih7 h THR 587 N -0.67 1.26 -0.08 -0.27 1.35 -1.33 -1.60 112.91 111.58 1ih7 h THR 587 Ca -0.03 -1.23 -0.14 0.00 -0.55 0.00 0.00 66.41 64.46 1ih7 h THR 587 Cb 0.47 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1ih7 h THR 587 CO 0.05 0.43 -0.56 0.71 -0.25 0.00 0.00 175.52 175.91 1ih7 h THR 588 N 0.86 1.37 -0.66 6.82 1.35 -1.24 -0.46 112.91 120.95 1ih7 h THR 588 Ca 0.14 -1.87 -0.07 0.00 -0.55 0.00 0.00 66.41 64.06 1ih7 h THR 588 Cb 0.64 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 1ih7 h THR 588 CO 0.04 0.55 0.13 0.15 -0.25 0.00 0.00 175.52 176.14 1ih7 h PHE 589 N 0.19 1.15 -0.81 4.73 3.04 -1.31 0.07 116.94 124.00 1ih7 h PHE 589 Ca 0.00 -0.15 -0.03 0.00 3.98 0.00 0.00 57.97 61.77 1ih7 h PHE 589 Cb 1.04 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 39.19 1ih7 h PHE 589 CO 0.02 0.96 0.39 0.78 -2.02 0.00 0.00 178.31 178.44 1ih7 h GLY 590 N 1.01 1.25 1.09 2.40 0.00 -0.81 0.16 103.07 108.16 1ih7 h GLY 590 Ca 0.20 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1ih7 h GLY 590 CO 0.01 0.58 -0.01 1.46 0.00 0.00 0.00 176.54 178.58 1ih7 h GLN 591 N 1.15 1.08 -0.18 4.80 4.20 -0.49 -2.39 115.11 123.27 1ih7 h GLN 591 Ca 0.28 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1ih7 h GLN 591 Cb 0.11 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1ih7 h GLN 591 CO -0.04 1.05 0.02 1.98 -0.67 0.00 0.00 178.83 181.18 1ih7 h MET 592 N 0.98 0.31 -0.43 1.46 4.05 -0.41 -2.74 114.93 118.15 1ih7 h MET 592 Ca 0.17 -0.09 0.08 0.00 -0.28 0.00 0.00 59.70 59.58 1ih7 h MET 592 Cb 0.57 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.27 1ih7 h MET 592 CO 0.03 0.49 -0.01 0.00 0.23 0.00 0.00 176.91 177.65 1ih7 h ALA 593 N 0.81 0.39 -0.52 0.39 0.00 -0.54 0.27 119.26 120.04 1ih7 h ALA 593 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1ih7 h ALA 593 Cb 0.34 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ih7 h ALA 593 CO 0.01 -0.40 -0.11 -0.07 0.00 0.00 0.00 179.25 178.67 1ih7 h LEU 594 N 0.10 0.99 -0.05 0.00 3.38 -1.41 -1.36 115.31 116.95 1ih7 h LEU 594 Ca 0.21 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1ih7 h LEU 594 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ih7 h LEU 594 CO -0.36 1.11 -0.63 1.56 0.09 0.00 0.00 178.44 180.21 1ih7 h GLN 595 N 0.88 0.00 -0.18 1.13 4.20 -1.16 -1.64 115.11 118.33 1ih7 h GLN 595 Ca 0.14 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 1ih7 h GLN 595 Cb 0.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1ih7 h GLN 595 CO 0.05 0.63 -0.26 2.35 -0.67 0.00 0.00 178.83 180.93 1ih7 h TRP 596 N 0.00 0.62 0.00 2.96 2.91 -0.41 -2.31 115.95 119.72 1ih7 h TRP 596 Ca -0.01 -0.20 -0.08 0.00 1.13 0.00 0.00 58.89 59.73 1ih7 h TRP 596 Cb 1.46 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.98 1ih7 h TRP 596 CO 0.00 0.90 -0.38 0.97 -1.03 0.00 0.00 178.44 178.90 1ih7 h ILE 597 N 0.15 1.00 -0.31 2.65 6.09 -1.23 -1.08 117.51 124.79 1ih7 h ILE 597 Ca 0.02 -1.43 -0.11 0.00 -1.37 0.00 0.00 64.86 61.97 1ih7 h ILE 597 Cb 0.83 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.94 1ih7 h ILE 597 CO 0.06 0.37 -0.28 -0.08 -3.07 0.00 0.00 178.15 175.15 1ih7 h GLU 598 N 0.00 0.63 -0.15 2.19 4.81 -1.20 0.20 114.58 121.06 1ih7 h GLU 598 Ca -0.00 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 1ih7 h GLU 598 Cb 0.80 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1ih7 h GLU 598 CO 0.05 0.85 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.87 1ih7 h ARG 599 N 0.55 0.42 -0.51 1.92 2.43 -0.83 -1.81 114.38 116.56 1ih7 h ARG 599 Ca 0.07 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1ih7 h ARG 599 Cb 0.76 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1ih7 h ARG 599 CO 0.06 0.83 0.28 0.87 -1.51 0.00 0.00 179.97 180.50 1ih7 h LYS 600 N 0.05 0.53 -0.68 0.20 1.79 -1.03 0.31 116.57 117.74 1ih7 h LYS 600 Ca 0.02 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1ih7 h LYS 600 Cb 0.79 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.29 1ih7 h LYS 600 CO 0.05 0.35 0.13 0.28 -1.08 0.00 0.00 179.45 179.19 1ih7 h VAL 601 N 0.55 1.26 -0.43 0.50 2.07 -0.96 -0.92 116.25 118.31 1ih7 h VAL 601 Ca 0.21 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1ih7 h VAL 601 Cb 0.08 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ih7 h VAL 601 CO -0.12 0.38 0.06 0.78 0.02 0.00 0.00 177.57 178.69 1ih7 h ASN 602 N 1.04 0.70 -0.40 0.57 2.35 -0.72 -1.63 115.58 117.48 1ih7 h ASN 602 Ca 0.21 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1ih7 h ASN 602 Cb 0.41 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1ih7 h ASN 602 CO 0.01 0.79 0.23 -0.33 -1.65 0.00 0.00 177.43 176.47 1ih7 h GLU 603 N 0.58 0.55 -0.55 0.81 5.08 -0.72 -1.89 114.58 118.44 1ih7 h GLU 603 Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ih7 h GLU 603 Cb 0.39 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1ih7 h GLU 603 CO 0.01 0.43 0.27 -0.92 -1.00 0.00 0.00 179.01 177.80 1ih7 h TYR 604 N 0.52 0.79 -0.08 4.33 5.03 -1.05 -2.28 116.97 124.22 1ih7 h TYR 604 Ca 0.14 -0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.26 1ih7 h TYR 604 Cb 0.03 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 1ih7 h TYR 604 CO -0.03 0.61 -0.62 -0.07 -1.32 0.00 0.00 178.16 176.73 1ih7 h LEU 605 N 0.74 0.34 -0.40 2.82 3.38 -1.21 -1.26 115.31 119.72 1ih7 h LEU 605 Ca 0.19 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ih7 h LEU 605 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ih7 h LEU 605 CO -0.02 0.87 0.06 0.78 0.09 0.00 0.00 178.44 180.21 1ih7 h ASN 606 N 0.22 0.65 0.66 -0.43 2.35 -1.26 -0.11 115.58 117.66 1ih7 h ASN 606 Ca -0.01 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 1ih7 h ASN 606 Cb 1.14 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 39.34 1ih7 h ASN 606 CO 0.10 0.75 -0.32 -0.08 -1.65 0.00 0.00 177.43 176.23 1ih7 h GLU 607 N 0.52 -0.86 -0.67 0.81 4.81 -1.33 0.22 114.58 118.08 1ih7 h GLU 607 Ca 0.12 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 1ih7 h GLU 607 Cb 0.39 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1ih7 h GLU 607 CO 0.01 -0.54 0.44 0.28 -0.73 0.00 0.00 179.01 178.48 1ih7 h VAL 608 N -1.03 0.95 -0.17 0.32 2.07 -1.24 -0.19 116.25 116.95 1ih7 h VAL 608 Ca -0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ih7 h VAL 608 Cb 0.72 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1ih7 h VAL 608 CO 0.15 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1ih7 n GLY 610 N 1.23 1.72 2.93 0.00 0.00 -0.08 -4.98 105.19 106.01 1ih7 n GLY 610 Ca 0.17 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1ih7 n GLY 610 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ih7 n THR 611 N -2.41 0.00 -3.79 2.61 -2.24 0.59 -5.00 114.28 104.05 1ih7 n THR 611 Ca -0.18 -1.36 -0.13 0.00 -2.27 0.00 0.00 64.05 60.11 1ih7 n THR 611 Cb 0.62 -0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 67.96 1ih7 n THR 611 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ih7 s GLU 612 N -4.13 0.20 -1.44 -0.78 2.02 -1.26 -4.42 118.70 108.89 1ih7 s GLU 612 Ca 0.47 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.79 1ih7 s GLU 612 Cb -0.03 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.23 1ih7 s GLU 612 CO 0.30 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1ih7 n GLY 613 N 3.36 0.49 3.75 -1.39 0.00 -1.26 -4.93 105.19 105.21 1ih7 n GLY 613 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1ih7 n GLY 613 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ih7 s GLU 614 N -4.12 4.68 -0.50 1.61 2.56 -1.26 -5.01 118.70 116.65 1ih7 s GLU 614 Ca 0.00 1.33 -0.19 0.00 0.00 0.00 0.00 54.97 56.12 1ih7 s GLU 614 Cb 0.00 -3.32 0.06 0.00 2.00 0.00 0.00 34.13 32.87 1ih7 s GLU 614 CO 0.00 0.39 0.61 0.00 -0.56 0.00 0.00 175.26 175.70 1ih7 s ALA 615 N -0.61 3.40 -0.13 6.30 0.00 -1.26 -4.87 121.76 124.59 1ih7 s ALA 615 Ca 0.41 -1.78 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1ih7 s ALA 615 Cb -0.24 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.30 1ih7 s ALA 615 CO 0.29 -1.99 0.34 1.19 0.00 0.00 0.00 175.76 175.59 1ih7 n PHE 616 N 6.09 1.23 -2.43 0.00 3.72 -1.26 -4.79 117.46 120.03 1ih7 n PHE 616 Ca -0.07 0.30 -0.43 0.00 -0.05 0.00 0.00 57.45 57.20 1ih7 n PHE 616 Cb 0.45 -1.16 -0.02 0.00 -0.94 0.00 0.00 39.48 37.81 1ih7 n PHE 616 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1ih7 s VAL 617 N -2.53 4.19 -0.20 -4.37 1.01 -1.26 -0.30 120.40 116.94 1ih7 s VAL 617 Ca -0.23 1.37 0.20 0.00 0.00 0.00 0.00 61.98 63.32 1ih7 s VAL 617 Cb 0.06 -4.12 -0.29 0.00 0.00 0.00 0.00 36.38 32.03 1ih7 s VAL 617 CO 0.74 -0.39 0.52 0.00 0.00 0.00 0.00 175.10 175.97 1ih7 n LEU 618 N 7.34 0.18 -3.46 3.92 -0.00 -0.53 -4.96 117.00 119.50 1ih7 n LEU 618 Ca 0.14 -0.10 -0.14 0.00 -0.00 0.00 0.00 56.01 55.92 1ih7 n LEU 618 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.85 1ih7 n LEU 618 CO 0.61 0.05 0.42 -0.47 -0.00 0.00 0.00 177.39 177.99 1ih7 s TYR 619 N -3.28 -0.58 -0.19 1.47 6.14 -1.20 -4.45 117.35 115.26 1ih7 s TYR 619 Ca -0.04 0.60 -0.27 0.00 0.64 0.00 0.00 57.07 58.00 1ih7 s TYR 619 Cb 0.13 0.51 0.07 0.00 0.42 0.00 0.00 41.96 43.09 1ih7 s TYR 619 CO 0.83 -0.76 0.70 0.20 0.64 0.00 0.00 175.55 177.15 1ih7 s GLY 620 N -2.21 -0.55 -0.25 8.97 0.00 -1.26 -0.41 107.32 111.61 1ih7 s GLY 620 Ca -0.03 1.77 -0.02 0.00 0.00 0.00 0.00 44.72 46.44 1ih7 s GLY 620 CO -0.05 1.46 0.31 -0.35 0.00 0.00 0.00 173.10 174.47 1ih7 s ASP 621 N -0.18 1.02 0.00 1.64 -1.08 -0.69 -0.58 116.67 116.81 1ih7 s ASP 621 Ca -0.04 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1ih7 s ASP 621 Cb -0.03 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 1ih7 s ASP 621 CO 0.04 -0.34 0.00 0.41 0.52 0.00 0.00 175.17 175.80 1ih7 n THR 622 N 5.33 0.00 -1.17 1.71 -1.04 0.98 -2.87 114.28 117.22 1ih7 n THR 622 Ca -0.03 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.02 1ih7 n THR 622 Cb 0.49 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.06 1ih7 n THR 622 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ih7 n ASP 623 N 1.25 1.36 -3.91 8.00 5.75 -1.26 -4.74 116.55 123.00 1ih7 n ASP 623 Ca 0.00 -2.39 -0.09 0.00 -0.01 0.00 0.00 54.79 52.30 1ih7 n ASP 623 Cb 0.00 -0.25 -0.09 0.00 -1.03 0.00 0.00 41.12 39.75 1ih7 n ASP 623 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ih7 s SER 624 N -1.74 0.15 0.08 -1.12 1.04 -1.14 -0.14 113.70 110.82 1ih7 s SER 624 Ca 0.14 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.12 1ih7 s SER 624 Cb 0.13 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1ih7 s SER 624 CO 0.01 -0.54 -0.17 0.27 0.98 0.00 0.00 173.24 173.79 1ih7 s ILE 625 N -2.74 1.36 -0.16 -1.02 -4.36 0.08 -1.70 121.20 112.66 1ih7 s ILE 625 Ca -0.04 -1.34 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1ih7 s ILE 625 Cb -0.00 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 1ih7 s ILE 625 CO -0.05 -0.11 -0.13 -0.31 0.24 0.00 0.00 174.94 174.58 1ih7 s TYR 626 N -1.14 2.82 -0.14 1.37 1.51 0.45 -1.22 117.35 121.00 1ih7 s TYR 626 Ca 0.02 -0.94 -0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1ih7 s TYR 626 Cb -0.10 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1ih7 s TYR 626 CO 0.03 -0.43 -0.07 0.08 -1.11 0.00 0.00 175.55 174.05 1ih7 s VAL 627 N 0.82 3.60 -0.10 0.71 1.01 0.15 -1.46 120.40 125.13 1ih7 s VAL 627 Ca -0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1ih7 s VAL 627 Cb -0.15 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1ih7 s VAL 627 CO 0.00 0.51 1.21 -0.55 0.00 0.00 0.00 175.10 176.27 1ih7 s SER 628 N 0.33 7.02 -0.18 3.32 0.15 0.59 -0.60 113.70 124.33 1ih7 s SER 628 Ca -0.06 1.76 0.16 0.00 0.70 0.00 0.00 55.95 58.50 1ih7 s SER 628 Cb -0.15 -2.55 0.69 0.00 -1.71 0.00 0.00 66.02 62.30 1ih7 s SER 628 CO 0.04 -0.64 1.60 0.00 1.20 0.00 0.00 173.24 175.44 1ih7 n ALA 629 N 5.69 3.37 -0.05 5.45 0.00 0.91 -4.61 120.51 131.26 1ih7 n ALA 629 Ca 0.12 -1.95 -0.10 0.00 0.00 0.00 0.00 53.44 51.52 1ih7 n ALA 629 Cb 0.46 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1ih7 n ALA 629 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ih7 h ASP 630 N 3.23 0.23 -0.64 0.00 3.32 -1.91 -1.53 116.42 119.12 1ih7 h ASP 630 Ca 0.00 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1ih7 h ASP 630 Cb 1.65 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 41.12 1ih7 h ASP 630 CO 0.33 0.17 0.17 0.11 -1.72 0.00 0.00 179.24 178.30 1ih7 h LYS 631 N 0.29 1.02 -0.48 3.56 6.56 -1.95 -1.50 116.57 124.06 1ih7 h LYS 631 Ca 0.09 -0.24 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1ih7 h LYS 631 Cb -0.02 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 1ih7 h LYS 631 CO -0.03 0.91 0.31 0.82 -2.06 0.00 0.00 179.45 179.40 1ih7 h ILE 632 N 0.94 1.13 -0.66 1.86 2.04 -1.81 0.01 117.51 121.02 1ih7 h ILE 632 Ca 0.20 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1ih7 h ILE 632 Cb 0.34 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1ih7 h ILE 632 CO -0.00 0.13 0.11 0.40 0.00 0.00 0.00 178.15 178.79 1ih7 h ILE 633 N 0.65 1.26 -0.43 -0.67 1.08 -1.11 -2.88 117.51 115.41 1ih7 h ILE 633 Ca 0.17 -1.03 -0.11 0.00 -0.39 0.00 0.00 64.86 63.51 1ih7 h ILE 633 Cb -0.06 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 1ih7 h ILE 633 CO -0.04 0.39 -0.17 0.44 -0.69 0.00 0.00 178.15 178.08 1ih7 h ASP 634 N 1.02 0.82 -0.57 1.72 3.32 -0.92 0.84 116.42 122.64 1ih7 h ASP 634 Ca 0.20 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 57.06 1ih7 h ASP 634 Cb 0.43 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1ih7 h ASP 634 CO 0.01 0.98 0.21 0.50 -1.72 0.00 0.00 179.24 179.23 1ih7 h LYS 635 N 0.72 0.38 -0.20 3.56 1.63 -0.80 -1.40 116.57 120.46 1ih7 h LYS 635 Ca 0.11 -0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.71 1ih7 h LYS 635 Cb 0.68 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1ih7 h LYS 635 CO 0.05 0.25 -0.57 0.28 -3.45 0.00 0.00 179.45 176.01 1ih7 h VAL 636 N 0.39 1.30 0.00 2.00 2.07 -1.33 -3.50 116.25 117.19 1ih7 h VAL 636 Ca 0.28 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1ih7 h VAL 636 Cb 0.33 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1ih7 h VAL 636 CO -0.29 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1ih7 n GLY 637 N 0.53 1.70 0.26 2.17 0.00 0.27 -4.76 105.19 105.36 1ih7 n GLY 637 Ca -0.06 -1.18 0.01 0.00 0.00 0.00 0.00 46.02 44.78 1ih7 n GLY 637 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ih7 h GLU 638 N 0.00 0.41 0.00 1.61 4.81 -1.82 -1.98 114.58 117.61 1ih7 h GLU 638 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ih7 h GLU 638 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1ih7 h GLU 638 CO 0.00 0.49 0.00 -1.13 -0.73 0.00 0.00 179.01 177.64 1ih7 n SER 639 N -4.28 0.27 0.03 1.04 3.41 -1.26 -2.10 113.62 110.73 1ih7 n SER 639 Ca 0.01 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1ih7 n SER 639 Cb 0.26 -0.63 0.50 0.00 -0.26 0.00 0.00 64.21 64.08 1ih7 n SER 639 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ih7 n LYS 640 N -1.81 0.08 -3.72 4.33 3.00 -0.74 -4.82 118.16 114.46 1ih7 n LYS 640 Ca 0.02 0.13 -0.35 0.00 -0.00 0.00 0.00 58.31 58.11 1ih7 n LYS 640 Cb 0.15 -1.60 -0.05 0.00 0.00 0.00 0.00 35.03 33.53 1ih7 n LYS 640 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1ih7 s PHE 641 N -3.05 3.58 -0.14 5.64 0.40 -0.89 -5.03 117.98 118.49 1ih7 s PHE 641 Ca 0.11 0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 56.83 1ih7 s PHE 641 Cb 0.15 -2.02 -0.25 0.00 0.51 0.00 0.00 43.02 41.41 1ih7 s PHE 641 CO 0.49 0.59 0.57 0.00 0.70 0.00 0.00 175.22 177.57 1ih7 h ARG 642 N 3.93 0.09 -4.17 0.44 3.08 -1.89 -3.50 114.38 112.37 1ih7 h ARG 642 Ca -0.50 -0.15 -0.29 0.00 0.07 0.00 0.00 59.98 59.11 1ih7 h ARG 642 Cb 1.20 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.22 1ih7 h ARG 642 CO 0.66 1.07 -0.20 0.16 -1.07 0.00 0.00 179.97 180.59 1ih7 s ASP 643 N -6.68 1.01 0.15 7.04 3.84 -1.26 -5.03 116.67 115.74 1ih7 s ASP 643 Ca -0.22 -1.52 -0.17 0.00 -0.00 0.00 0.00 52.55 50.65 1ih7 s ASP 643 Cb 0.02 0.67 0.05 0.00 -1.38 0.00 0.00 42.92 42.28 1ih7 s ASP 643 CO 0.69 -1.30 1.74 0.74 -0.00 0.00 0.00 175.17 177.04 1ih7 h THR 644 N 2.10 0.88 -0.02 2.11 2.02 -1.95 -0.67 112.91 117.37 1ih7 h THR 644 Ca -0.28 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1ih7 h THR 644 Cb 1.24 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1ih7 h THR 644 CO 0.38 0.04 0.09 0.78 0.37 0.00 0.00 175.52 177.19 1ih7 h ASN 645 N 0.23 0.00 0.10 4.18 -0.26 -1.99 -2.14 115.58 115.70 1ih7 h ASN 645 Ca 0.16 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1ih7 h ASN 645 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1ih7 h ASN 645 CO -0.18 0.00 -0.05 -0.74 -1.06 0.00 0.00 177.43 175.40 1ih7 h HIS 646 N 0.00 -0.12 0.00 1.19 2.76 -1.52 -1.68 115.15 115.78 1ih7 h HIS 646 Ca 0.01 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1ih7 h HIS 646 Cb 0.19 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1ih7 h HIS 646 CO 0.00 0.38 -0.42 0.11 -1.30 0.00 0.00 177.93 176.70 1ih7 h TRP 647 N -0.74 0.00 -0.53 5.26 5.08 -1.40 -1.96 115.95 121.66 1ih7 h TRP 647 Ca -0.01 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.89 1ih7 h TRP 647 Cb 0.56 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.70 1ih7 h TRP 647 CO 0.11 0.42 0.07 0.28 -1.28 0.00 0.00 178.44 178.03 1ih7 h VAL 648 N 0.00 1.26 -0.69 0.12 2.07 -1.43 -0.72 116.25 116.85 1ih7 h VAL 648 Ca -0.00 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1ih7 h VAL 648 Cb 0.86 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1ih7 h VAL 648 CO 0.05 0.35 0.28 0.44 0.02 0.00 0.00 177.57 178.72 1ih7 h ASP 649 N 0.77 0.96 -0.36 0.57 3.32 -1.02 -1.04 116.42 119.63 1ih7 h ASP 649 Ca 0.16 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ih7 h ASP 649 Cb 0.44 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1ih7 h ASP 649 CO 0.01 0.87 0.21 0.15 -1.72 0.00 0.00 179.24 178.77 1ih7 h PHE 650 N 0.99 0.47 -0.20 4.55 3.57 -1.00 -1.06 116.94 124.27 1ih7 h PHE 650 Ca 0.23 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1ih7 h PHE 650 Cb 0.21 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1ih7 h PHE 650 CO 0.02 0.35 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.08 1ih7 h LEU 651 N 0.46 0.39 -0.45 0.59 3.38 -0.91 0.15 115.31 118.91 1ih7 h LEU 651 Ca 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ih7 h LEU 651 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ih7 h LEU 651 CO -0.02 0.67 0.20 -0.78 0.09 0.00 0.00 178.44 178.59 1ih7 h ASP 652 N 0.34 0.61 -0.16 -0.43 3.58 -0.86 0.33 116.42 119.82 1ih7 h ASP 652 Ca 0.05 -0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 1ih7 h ASP 652 Cb 0.69 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1ih7 h ASP 652 CO 0.05 0.60 -0.23 0.50 -2.88 0.00 0.00 179.24 177.28 1ih7 h LYS 653 N 0.59 0.44 -0.93 0.28 3.64 -0.87 -1.67 116.57 118.05 1ih7 h LYS 653 Ca 0.15 -0.26 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1ih7 h LYS 653 Cb 0.16 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1ih7 h LYS 653 CO -0.02 0.84 0.59 0.35 -2.27 0.00 0.00 179.45 178.94 1ih7 h PHE 654 N 0.07 1.08 0.01 1.91 3.04 -0.57 0.14 116.94 122.62 1ih7 h PHE 654 Ca 0.02 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1ih7 h PHE 654 Cb 0.79 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.95 1ih7 h PHE 654 CO 0.09 0.54 -0.00 0.00 -2.02 0.00 0.00 178.31 176.92 1ih7 h ALA 655 N 1.44 -0.01 -0.32 2.41 0.00 -0.85 -1.28 119.26 120.65 1ih7 h ALA 655 Ca 0.41 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ih7 h ALA 655 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ih7 h ALA 655 CO -0.18 -0.32 -0.12 -0.09 0.00 0.00 0.00 179.25 178.54 1ih7 h ARG 656 N -0.39 0.64 0.00 0.00 2.43 -0.99 0.99 114.38 117.07 1ih7 h ARG 656 Ca -0.00 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1ih7 h ARG 656 Cb 0.38 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1ih7 h ARG 656 CO 0.00 0.84 -1.23 0.39 -1.51 0.00 0.00 179.97 178.47 1ih7 n GLU 657 N -4.41 0.62 -0.00 0.20 1.02 0.47 -4.41 120.64 114.13 1ih7 n GLU 657 Ca -0.03 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1ih7 n GLU 657 Cb 0.36 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1ih7 n GLU 657 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ih7 n ARG 658 N -2.62 0.16 -0.02 3.49 3.00 -0.54 -4.68 116.66 115.45 1ih7 n ARG 658 Ca -0.02 0.06 -0.12 0.00 -0.01 0.00 0.00 57.85 57.76 1ih7 n ARG 658 Cb 0.58 -0.71 -0.08 0.00 0.00 0.00 0.00 32.46 32.25 1ih7 n ARG 658 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1ih7 h MET 659 N -0.30 0.12 -0.51 5.56 2.86 -1.31 -3.04 114.93 118.32 1ih7 h MET 659 Ca 0.00 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 1ih7 h MET 659 Cb 0.30 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.87 1ih7 h MET 659 CO 0.00 0.38 0.11 0.93 1.06 0.00 0.00 176.91 179.40 1ih7 h GLU 660 N -0.16 0.24 -0.39 1.72 5.08 -1.01 0.13 114.58 120.21 1ih7 h GLU 660 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1ih7 h GLU 660 Cb 0.33 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ih7 h GLU 660 CO 0.00 0.16 0.17 -1.35 -1.00 0.00 0.00 179.01 176.99 1ih7 h PRO 661 N 0.25 0.54 -0.31 2.33 0.11 -1.77 0.62 132.00 133.77 1ih7 h PRO 661 Ca 0.26 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 1ih7 h PRO 661 Cb 0.34 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1ih7 h PRO 661 CO -0.33 0.44 -0.41 0.00 -0.21 0.00 0.00 178.00 177.49 1ih7 h ALA 662 N 1.65 0.69 -0.27 -0.75 0.00 -1.01 -1.71 119.26 117.86 1ih7 h ALA 662 Ca 0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1ih7 h ALA 662 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ih7 h ALA 662 CO -0.02 0.67 -0.04 0.82 0.00 0.00 0.00 179.25 180.68 1ih7 h ILE 663 N 0.61 1.27 -1.00 0.00 2.04 -0.11 0.26 117.51 120.60 1ih7 h ILE 663 Ca 0.05 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1ih7 h ILE 663 Cb 0.97 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1ih7 h ILE 663 CO 0.09 0.33 0.66 -0.78 0.00 0.00 0.00 178.15 178.45 1ih7 h ASP 664 N 0.27 1.15 -0.32 1.72 -0.00 -0.86 -0.68 116.42 117.71 1ih7 h ASP 664 Ca 0.07 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.06 1ih7 h ASP 664 Cb 0.50 -0.29 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1ih7 h ASP 664 CO 0.02 0.83 0.15 -0.09 -0.00 0.00 0.00 179.24 180.15 1ih7 h ARG 665 N 1.35 0.46 -0.82 0.28 2.43 -1.05 -1.10 114.38 115.94 1ih7 h ARG 665 Ca 0.37 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1ih7 h ARG 665 Cb -0.16 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.26 1ih7 h ARG 665 CO -0.08 0.43 0.53 0.78 -1.51 0.00 0.00 179.97 180.11 1ih7 h GLY 666 N 0.38 1.18 1.71 2.80 0.00 -0.05 -2.46 103.07 106.62 1ih7 h GLY 666 Ca 0.11 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1ih7 h GLY 666 CO -0.01 0.35 -0.64 0.74 0.00 0.00 0.00 176.54 176.98 1ih7 h PHE 667 N 1.03 0.39 -0.42 5.60 0.04 -0.87 -2.42 116.94 120.29 1ih7 h PHE 667 Ca 0.32 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 1ih7 h PHE 667 Cb -0.01 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 1ih7 h PHE 667 CO -0.02 0.85 -0.05 0.00 -0.60 0.00 0.00 178.31 178.49 1ih7 h ARG 668 N 0.22 0.70 -0.65 1.51 3.08 -0.93 -0.89 114.38 117.41 1ih7 h ARG 668 Ca -0.01 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 1ih7 h ARG 668 Cb 1.17 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 1ih7 h ARG 668 CO 0.10 0.75 0.11 1.49 -1.07 0.00 0.00 179.97 181.35 1ih7 h GLU 669 N 0.65 1.08 -0.51 0.04 4.81 -1.30 -2.20 114.58 117.14 1ih7 h GLU 669 Ca 0.12 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1ih7 h GLU 669 Cb 0.48 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1ih7 h GLU 669 CO 0.02 0.99 0.06 1.98 -0.73 0.00 0.00 179.01 181.34 1ih7 h MET 670 N 1.00 0.82 -0.73 1.92 4.05 -0.92 -0.44 114.93 120.63 1ih7 h MET 670 Ca 0.20 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1ih7 h MET 670 Cb 0.44 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 1ih7 h MET 670 CO 0.01 0.78 0.38 0.00 0.23 0.00 0.00 176.91 178.32 1ih7 h GLU 672 N 1.00 0.49 -0.52 0.00 5.08 -1.08 -0.43 114.58 119.12 1ih7 h GLU 672 Ca 0.25 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ih7 h GLU 672 Cb 0.06 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1ih7 h GLU 672 CO -0.04 0.99 0.34 -0.92 -1.00 0.00 0.00 179.01 178.38 1ih7 h TYR 673 N 0.35 0.64 -0.13 4.33 3.20 -0.68 -1.74 116.97 122.95 1ih7 h TYR 673 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ih7 h TYR 673 Cb 1.24 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1ih7 h TYR 673 CO 0.05 0.40 0.00 -1.33 -1.64 0.00 0.00 178.16 175.64 1ih7 n MET 674 N -4.73 1.66 -3.82 1.82 2.81 -0.55 -4.44 117.12 109.87 1ih7 n MET 674 Ca 0.03 -0.98 -0.30 0.00 -1.81 0.00 0.00 57.70 54.64 1ih7 n MET 674 Cb 0.03 -1.40 -0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1ih7 n MET 674 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1ih7 n ASN 675 N 0.20 -3.96 -4.73 7.83 5.15 -0.32 -0.70 115.26 118.75 1ih7 n ASN 675 Ca 0.17 -0.71 -0.31 0.00 -0.60 0.00 0.00 54.58 53.12 1ih7 n ASN 675 Cb 0.31 -3.22 0.12 0.00 -0.53 0.00 0.00 39.78 36.46 1ih7 n ASN 675 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1ih7 s ASN 676 N -3.08 3.85 0.15 1.20 0.01 -0.35 -3.74 114.94 112.99 1ih7 s ASN 676 Ca 0.60 2.03 -0.14 0.00 -0.71 0.00 0.00 52.86 54.64 1ih7 s ASN 676 Cb -0.32 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 38.84 1ih7 s ASN 676 CO 0.74 -2.48 1.70 0.50 -1.51 0.00 0.00 177.10 176.05 1ih7 h LYS 677 N -1.31 0.77 -2.36 -0.60 3.64 -1.60 -3.46 116.57 111.65 1ih7 h LYS 677 Ca -0.44 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 58.72 1ih7 h LYS 677 Cb 1.25 -0.12 -0.21 0.00 -0.41 0.00 0.00 32.23 32.74 1ih7 h LYS 677 CO 0.47 0.69 -0.02 1.14 -2.27 0.00 0.00 179.45 179.46 1ih7 s GLN 678 N -5.52 0.75 -0.28 1.90 -2.07 -1.18 -5.09 119.66 108.16 1ih7 s GLN 678 Ca -0.13 0.57 -0.29 0.00 -1.82 0.00 0.00 55.36 53.69 1ih7 s GLN 678 Cb 0.12 0.36 -0.00 0.00 -1.09 0.00 0.00 33.01 32.39 1ih7 s GLN 678 CO 0.78 -0.14 1.37 -1.58 -1.32 0.00 0.00 175.29 174.40 1ih7 s HIS 679 N -0.19 2.56 0.00 9.60 5.65 -1.26 -4.36 115.29 127.29 1ih7 s HIS 679 Ca -0.04 0.80 0.00 0.00 0.25 0.00 0.00 55.06 56.07 1ih7 s HIS 679 Cb -0.03 -3.93 0.00 0.00 -1.18 0.00 0.00 32.58 27.44 1ih7 s HIS 679 CO 0.03 -1.98 0.60 1.28 -0.65 0.00 0.00 174.74 174.02 1ih7 n LEU 680 N 7.81 0.65 -4.56 8.88 4.77 -1.26 -4.97 117.00 128.32 1ih7 n LEU 680 Ca 0.16 -0.65 -0.41 0.00 -0.03 0.00 0.00 56.01 55.07 1ih7 n LEU 680 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1ih7 n LEU 680 CO 0.63 0.16 1.48 -0.04 -1.33 0.00 0.00 177.39 178.30 1ih7 s MET 681 N -0.30 3.61 -0.41 3.23 -1.94 -1.26 -4.88 119.30 117.34 1ih7 s MET 681 Ca 0.00 -1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 52.69 1ih7 s MET 681 Cb 0.00 -5.35 0.06 0.00 2.01 0.00 0.00 34.83 31.55 1ih7 s MET 681 CO 0.00 -2.20 0.26 -0.06 -0.01 0.00 0.00 175.02 173.01 1ih7 s PHE 682 N 4.86 3.30 -0.10 -0.03 0.08 -1.26 -4.93 117.98 119.89 1ih7 s PHE 682 Ca 0.46 -1.28 0.03 0.00 0.12 0.00 0.00 56.93 56.25 1ih7 s PHE 682 Cb 0.00 -2.82 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 1ih7 s PHE 682 CO -0.09 -0.78 -0.18 1.41 -0.10 0.00 0.00 175.22 175.47 1ih7 s MET 683 N 1.49 3.06 0.19 0.44 -2.45 -1.26 -1.53 119.30 119.25 1ih7 s MET 683 Ca 0.03 -0.78 -0.08 0.00 -1.25 0.00 0.00 55.69 53.61 1ih7 s MET 683 Cb -0.22 -2.43 -0.02 0.00 1.25 0.00 0.00 34.83 33.41 1ih7 s MET 683 CO 0.04 0.27 0.29 0.16 1.05 0.00 0.00 175.02 176.83 1ih7 s ASP 684 N 0.16 0.05 0.25 1.11 1.47 -1.06 -4.85 116.67 113.79 1ih7 s ASP 684 Ca -0.10 -1.02 -0.31 0.00 1.18 0.00 0.00 52.55 52.30 1ih7 s ASP 684 Cb -0.16 0.46 -0.14 0.00 -0.34 0.00 0.00 42.92 42.74 1ih7 s ASP 684 CO 0.06 -0.94 1.32 -1.14 0.68 0.00 0.00 175.17 175.15 1ih7 n ARG 685 N -0.26 1.85 0.00 2.11 0.00 -1.26 -1.93 116.66 117.17 1ih7 n ARG 685 Ca -0.04 0.66 0.00 0.00 -0.00 0.00 0.00 57.85 58.47 1ih7 n ARG 685 Cb 0.63 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.84 1ih7 n ARG 685 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ih7 n GLU 686 N 1.70 0.00 -4.46 -0.14 2.13 0.25 -4.59 120.64 115.53 1ih7 n GLU 686 Ca 0.11 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.69 1ih7 n GLU 686 Cb 0.31 -0.13 -0.10 0.00 0.27 0.00 0.00 31.44 31.78 1ih7 n GLU 686 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ih7 s ALA 687 N -2.83 2.68 -0.08 4.31 0.00 -1.19 0.44 121.76 125.09 1ih7 s ALA 687 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1ih7 s ALA 687 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1ih7 s ALA 687 CO 0.00 0.30 -0.06 0.42 0.00 0.00 0.00 175.76 176.42 1ih7 s ILE 688 N -2.36 0.78 0.11 0.00 1.01 -0.80 -1.35 121.20 118.60 1ih7 s ILE 688 Ca 0.28 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1ih7 s ILE 688 Cb -0.05 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1ih7 s ILE 688 CO 0.14 0.31 -0.12 0.00 0.00 0.00 0.00 174.94 175.27 1ih7 s ALA 689 N 1.44 1.31 0.00 9.38 0.00 -0.00 -1.00 121.76 132.89 1ih7 s ALA 689 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1ih7 s ALA 689 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1ih7 s ALA 689 CO -0.04 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1ih7 n GLY 690 N 0.54 0.53 3.85 0.00 0.00 -0.60 -1.57 105.19 107.95 1ih7 n GLY 690 Ca -0.16 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 1ih7 n GLY 690 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ih7 s PRO 691 N -2.00 3.81 0.58 1.61 0.04 -1.25 -4.72 135.00 133.07 1ih7 s PRO 691 Ca 0.00 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.71 1ih7 s PRO 691 Cb 0.00 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1ih7 s PRO 691 CO 0.00 -0.39 1.31 -2.14 0.04 0.00 0.00 177.00 175.82 1ih7 s PRO 692 N -4.52 2.93 0.33 0.56 0.02 -1.26 -4.90 135.00 128.16 1ih7 s PRO 692 Ca 0.57 2.11 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 1ih7 s PRO 692 Cb -0.10 -2.07 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 1ih7 s PRO 692 CO 0.40 -1.32 1.45 -1.17 -0.33 0.00 0.00 177.00 176.04 1ih7 s LEU 693 N -3.87 4.36 0.00 -5.54 0.20 -1.26 -2.45 118.68 110.11 1ih7 s LEU 693 Ca 0.76 2.89 0.00 0.00 0.69 0.00 0.00 54.13 58.47 1ih7 s LEU 693 Cb -0.38 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 41.73 1ih7 s LEU 693 CO 0.43 -0.77 0.00 0.61 -0.29 0.00 0.00 176.35 176.32 1ih7 n GLY 694 N 1.08 0.91 4.03 7.98 0.00 -1.26 -4.87 105.19 113.05 1ih7 n GLY 694 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1ih7 n GLY 694 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ih7 s SER 695 N -2.83 5.09 -0.09 1.61 1.04 -1.03 -5.02 113.70 112.47 1ih7 s SER 695 Ca 0.00 -0.86 0.14 0.00 0.48 0.00 0.00 55.95 55.71 1ih7 s SER 695 Cb 0.00 0.27 0.47 0.00 0.10 0.00 0.00 66.02 66.86 1ih7 s SER 695 CO 0.00 -1.31 1.39 0.29 0.98 0.00 0.00 173.24 174.59 1ih7 n LYS 696 N -2.20 3.07 -1.44 4.02 5.02 -1.24 -4.95 118.16 120.44 1ih7 n LYS 696 Ca 0.14 -2.50 -0.35 0.00 -2.02 0.00 0.00 58.31 53.58 1ih7 n LYS 696 Cb 0.62 -1.60 0.09 0.00 -0.02 0.00 0.00 35.03 34.12 1ih7 n LYS 696 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ih7 n GLY 697 N 0.28 0.18 0.13 0.72 0.00 -1.23 -3.62 105.19 101.65 1ih7 n GLY 697 Ca 0.18 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1ih7 n GLY 697 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ih7 n ILE 698 N -2.52 0.00 0.00 -0.61 -5.35 -0.16 -4.68 119.36 106.04 1ih7 n ILE 698 Ca 0.15 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1ih7 n ILE 698 Cb 0.49 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1ih7 n ILE 698 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ih7 n GLY 699 N 1.43 1.69 3.63 3.28 0.00 -0.62 -3.19 105.19 111.41 1ih7 n GLY 699 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ih7 n GLY 699 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ih7 s GLY 700 N 0.00 -0.38 0.04 -0.02 0.00 -1.08 -1.94 107.32 103.94 1ih7 s GLY 700 Ca 0.00 0.75 -0.24 0.00 0.00 0.00 0.00 44.72 45.24 1ih7 s GLY 700 CO 0.00 0.16 0.55 -0.11 0.00 0.00 0.00 173.10 173.70 1ih7 s PHE 701 N -2.53 -0.47 -0.03 1.90 -0.71 -0.69 -0.31 117.98 115.15 1ih7 s PHE 701 Ca 0.13 0.57 0.07 0.00 -1.04 0.00 0.00 56.93 56.67 1ih7 s PHE 701 Cb 0.03 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1ih7 s PHE 701 CO -0.03 -0.65 -0.25 -1.58 -1.34 0.00 0.00 175.22 171.38 1ih7 s TRP 702 N -2.28 2.24 -0.03 3.49 0.51 -0.58 -1.51 118.94 120.77 1ih7 s TRP 702 Ca -0.06 -0.47 0.13 0.00 -2.12 0.00 0.00 56.10 53.58 1ih7 s TRP 702 Cb -0.01 -1.45 -0.21 0.00 -0.81 0.00 0.00 33.47 31.00 1ih7 s TRP 702 CO -0.00 -0.07 0.27 0.25 -0.51 0.00 0.00 176.95 176.89 1ih7 n THR 703 N 2.57 0.10 -3.58 2.01 -2.24 0.14 -2.37 114.28 110.92 1ih7 n THR 703 Ca -0.16 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1ih7 n THR 703 Cb 0.52 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1ih7 n THR 703 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ih7 n GLY 704 N 1.78 -1.24 3.66 3.38 0.00 -1.18 -4.71 105.19 106.88 1ih7 n GLY 704 Ca -0.05 -1.03 -0.46 0.00 0.00 0.00 0.00 46.02 44.48 1ih7 n GLY 704 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ih7 n LYS 705 N 0.00 2.03 -1.57 1.61 5.02 -1.26 -1.63 118.16 122.36 1ih7 n LYS 705 Ca 0.00 0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 56.84 1ih7 n LYS 705 Cb 0.00 -2.47 -0.07 0.00 -0.02 0.00 0.00 35.03 32.47 1ih7 n LYS 705 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ih7 n LYS 706 N 3.06 -1.42 -3.80 1.97 5.02 -1.26 -4.94 118.16 116.81 1ih7 n LYS 706 Ca 0.16 1.04 -0.30 0.00 -2.02 0.00 0.00 58.31 57.19 1ih7 n LYS 706 Cb 0.28 -5.39 -0.15 0.00 -0.02 0.00 0.00 35.03 29.76 1ih7 n LYS 706 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ih7 s ARG 707 N -3.59 0.92 0.16 1.97 0.52 -0.65 -3.46 118.95 114.83 1ih7 s ARG 707 Ca 0.00 -1.04 -0.25 0.00 -0.52 0.00 0.00 55.73 53.92 1ih7 s ARG 707 Cb 0.00 -2.23 0.06 0.00 0.52 0.00 0.00 34.95 33.30 1ih7 s ARG 707 CO 0.00 -0.87 0.94 1.52 0.02 0.00 0.00 175.30 176.91 1ih7 s TYR 708 N 1.55 -0.14 -0.03 -0.53 1.13 -0.22 -0.68 117.35 118.43 1ih7 s TYR 708 Ca 0.06 -0.18 -0.02 0.00 -1.41 0.00 0.00 57.07 55.52 1ih7 s TYR 708 Cb -0.18 0.65 0.02 0.00 -1.10 0.00 0.00 41.96 41.35 1ih7 s TYR 708 CO -0.18 -0.87 0.07 0.00 -2.51 0.00 0.00 175.55 172.06 1ih7 s ALA 709 N -3.34 -0.11 0.02 9.51 0.00 -0.57 -0.24 121.76 127.02 1ih7 s ALA 709 Ca 0.12 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1ih7 s ALA 709 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1ih7 s ALA 709 CO 0.03 -0.07 -0.09 -0.51 0.00 0.00 0.00 175.76 175.11 1ih7 s LEU 710 N 0.48 2.13 -0.73 0.00 1.43 0.41 -1.70 118.68 120.70 1ih7 s LEU 710 Ca -0.04 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1ih7 s LEU 710 Cb -0.05 -0.38 0.19 0.00 0.03 0.00 0.00 46.19 45.98 1ih7 s LEU 710 CO -0.02 -0.02 0.67 0.21 0.23 0.00 0.00 176.35 177.42 1ih7 s ASN 711 N -0.89 6.50 -0.02 2.29 2.47 -0.82 -0.11 114.94 124.35 1ih7 s ASN 711 Ca -0.01 -2.45 -0.26 0.00 0.42 0.00 0.00 52.86 50.56 1ih7 s ASN 711 Cb -0.06 -2.18 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 1ih7 s ASN 711 CO 0.00 -0.64 0.81 -0.69 -3.72 0.00 0.00 177.10 172.87 1ih7 s VAL 712 N 0.55 4.93 -0.15 -5.21 1.01 0.07 -1.56 120.40 120.04 1ih7 s VAL 712 Ca 0.14 1.69 0.12 0.00 0.00 0.00 0.00 61.98 63.92 1ih7 s VAL 712 Cb -0.16 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.90 1ih7 s VAL 712 CO -0.05 0.24 0.03 0.79 0.00 0.00 0.00 175.10 176.11 1ih7 n TRP 713 N 3.65 0.00 -3.83 5.22 7.02 -0.17 -0.75 117.44 128.58 1ih7 n TRP 713 Ca 0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.36 1ih7 n TRP 713 Cb 0.51 -0.71 -0.14 0.00 -2.42 0.00 0.00 31.31 28.55 1ih7 n TRP 713 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1ih7 s ASP 714 N -4.87 -0.01 -0.28 -0.99 -1.08 -1.19 -0.78 116.67 107.48 1ih7 s ASP 714 Ca -0.09 0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1ih7 s ASP 714 Cb 0.04 0.03 0.08 0.00 -1.46 0.00 0.00 42.92 41.61 1ih7 s ASP 714 CO 0.57 -0.05 0.03 -0.32 0.52 0.00 0.00 175.17 175.93 1ih7 s MET 715 N 0.37 1.12 -1.17 4.34 -2.45 -0.79 -1.90 119.30 118.82 1ih7 s MET 715 Ca -0.03 -1.09 -0.25 0.00 -1.25 0.00 0.00 55.69 53.07 1ih7 s MET 715 Cb -0.04 -2.40 0.01 0.00 1.25 0.00 0.00 34.83 33.65 1ih7 s MET 715 CO -0.01 -0.81 0.74 0.39 1.05 0.00 0.00 175.02 176.38 1ih7 n GLU 716 N 4.72 -0.97 0.00 4.11 1.02 0.17 -2.03 120.64 127.67 1ih7 n GLU 716 Ca -0.05 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1ih7 n GLU 716 Cb 0.43 -3.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.24 1ih7 n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ih7 n GLY 717 N -1.83 2.85 3.56 0.62 0.00 -1.26 -5.00 105.19 104.13 1ih7 n GLY 717 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1ih7 n GLY 717 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ih7 s THR 718 N -1.53 4.86 -0.01 2.61 -4.23 -0.86 -5.03 115.64 111.44 1ih7 s THR 718 Ca 0.00 0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 60.77 1ih7 s THR 718 Cb 0.00 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 1ih7 s THR 718 CO 0.00 -0.38 0.84 -0.60 -0.54 0.00 0.00 174.62 173.93 1ih7 s ARG 719 N 2.78 4.51 -0.01 3.99 6.06 -1.26 -1.88 118.95 133.14 1ih7 s ARG 719 Ca 0.25 1.16 -0.12 0.00 -2.50 0.00 0.00 55.73 54.51 1ih7 s ARG 719 Cb -0.14 -3.44 -0.05 0.00 0.06 0.00 0.00 34.95 31.38 1ih7 s ARG 719 CO 0.16 0.06 0.35 0.71 -2.50 0.00 0.00 175.30 174.07 1ih7 s TYR 720 N 0.72 3.68 -0.05 5.12 2.02 0.04 -4.99 117.35 123.89 1ih7 s TYR 720 Ca 0.44 0.86 -0.26 0.00 -0.37 0.00 0.00 57.07 57.74 1ih7 s TYR 720 Cb -0.20 -2.19 -0.21 0.00 -0.40 0.00 0.00 41.96 38.96 1ih7 s TYR 720 CO 0.23 0.64 1.15 0.00 -1.57 0.00 0.00 175.55 176.01 1ih7 h ALA 721 N 4.58 0.01 -3.19 3.71 0.00 -1.97 -3.42 119.26 118.98 1ih7 h ALA 721 Ca -0.52 -0.31 -0.62 0.00 0.00 0.00 0.00 54.91 53.46 1ih7 h ALA 721 Cb 1.22 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 1ih7 h ALA 721 CO 0.62 -0.17 -0.55 -1.21 0.00 0.00 0.00 179.25 177.94 1ih7 s GLU 722 N -3.77 3.99 0.81 0.00 0.41 -1.26 -5.08 118.70 113.80 1ih7 s GLU 722 Ca -0.16 -0.32 -0.14 0.00 -0.41 0.00 0.00 54.97 53.93 1ih7 s GLU 722 Cb 0.01 -3.33 0.05 0.00 -1.78 0.00 0.00 34.13 29.08 1ih7 s GLU 722 CO 0.69 0.17 0.95 -2.30 -0.49 0.00 0.00 175.26 174.28 1ih7 n PRO 723 N 3.87 0.14 -4.92 0.39 -0.02 -1.26 -5.00 135.00 128.21 1ih7 n PRO 723 Ca -0.16 0.11 -0.33 0.00 -2.02 0.00 0.00 63.50 61.11 1ih7 n PRO 723 Cb 0.52 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 1ih7 n PRO 723 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ih7 s LYS 724 N -3.76 2.95 -0.35 -0.52 1.02 0.07 -4.93 119.74 114.22 1ih7 s LYS 724 Ca 0.69 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 55.70 1ih7 s LYS 724 Cb -0.29 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1ih7 s LYS 724 CO 0.55 0.37 0.89 -0.51 -0.92 0.00 0.00 175.35 175.72 1ih7 s LEU 725 N -0.08 4.03 -0.46 3.17 1.43 -1.26 -0.75 118.68 124.76 1ih7 s LEU 725 Ca -0.03 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 1ih7 s LEU 725 Cb -0.14 -3.21 0.05 0.00 0.03 0.00 0.00 46.19 42.92 1ih7 s LEU 725 CO 0.04 -0.78 0.44 -0.75 0.23 0.00 0.00 176.35 175.52 1ih7 s LYS 726 N 3.31 3.03 -0.12 1.70 2.20 0.84 -4.95 119.74 125.74 1ih7 s LYS 726 Ca 0.36 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1ih7 s LYS 726 Cb -0.13 -4.07 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 1ih7 s LYS 726 CO 0.16 -0.99 -0.13 0.42 -0.36 0.00 0.00 175.35 174.45 1ih7 s ILE 727 N 1.95 3.05 -0.03 5.43 1.01 -1.26 -0.44 121.20 130.91 1ih7 s ILE 727 Ca 0.08 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1ih7 s ILE 727 Cb -0.21 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.01 1ih7 s ILE 727 CO 0.10 0.53 -0.04 -0.32 0.00 0.00 0.00 174.94 175.21 1ih7 s MET 728 N 0.23 0.61 -1.95 2.79 1.75 0.66 -4.89 119.30 118.50 1ih7 s MET 728 Ca -0.09 -0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.27 1ih7 s MET 728 Cb -0.15 -0.65 0.00 0.00 2.84 0.00 0.00 34.83 36.87 1ih7 s MET 728 CO 0.05 -0.04 0.00 0.41 -0.65 0.00 0.00 175.02 174.79 1ih7 n GLY 729 N 3.79 1.43 1.13 2.11 0.00 -1.22 -1.05 105.19 111.37 1ih7 n GLY 729 Ca -0.23 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1ih7 n GLY 729 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ih7 n LEU 730 N -2.27 3.37 -3.58 0.99 4.77 -1.26 -4.76 117.00 114.26 1ih7 n LEU 730 Ca -0.20 -1.44 -0.27 0.00 -0.03 0.00 0.00 56.01 54.08 1ih7 n LEU 730 Cb 0.63 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1ih7 n LEU 730 CO 0.29 0.72 0.06 -0.62 -1.33 0.00 0.00 177.39 176.51 1ih7 n GLU 731 N 1.44 -5.08 0.00 3.23 1.02 -1.26 -4.86 120.64 115.13 1ih7 n GLU 731 Ca 0.19 0.65 0.12 0.00 -0.02 0.00 0.00 57.16 58.10 1ih7 n GLU 731 Cb 0.60 -5.50 0.29 0.00 -0.02 0.00 0.00 31.44 26.81 1ih7 n GLU 731 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ih7 n THR 732 N -4.50 0.00 -0.00 2.62 -2.24 -1.26 -3.81 114.28 105.09 1ih7 n THR 732 Ca -0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ih7 n THR 732 Cb 0.55 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1ih7 n THR 732 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ih7 n GLN 733 N -1.33 0.65 -1.76 -0.78 6.02 -1.26 -4.50 117.38 114.42 1ih7 n GLN 733 Ca 0.07 -0.40 -0.41 0.00 -0.01 0.00 0.00 57.00 56.25 1ih7 n GLN 733 Cb 0.34 -0.89 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 1ih7 n GLN 733 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ih7 n LYS 734 N -0.21 2.73 0.15 -1.09 4.81 -1.25 -4.79 118.16 118.52 1ih7 n LYS 734 Ca 0.00 0.97 0.16 0.00 -0.87 0.00 0.00 58.31 58.57 1ih7 n LYS 734 Cb 0.00 -2.74 0.75 0.00 0.02 0.00 0.00 35.03 33.07 1ih7 n LYS 734 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1ih7 h SER 735 N 4.09 0.00 1.02 3.14 0.02 -1.94 -0.08 113.55 119.80 1ih7 h SER 735 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ih7 h SER 735 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ih7 h SER 735 CO 0.73 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.88 1ih7 n SER 736 N -4.12 0.44 -4.69 3.07 3.41 -1.26 -4.29 113.62 106.18 1ih7 n SER 736 Ca 0.03 0.56 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 1ih7 n SER 736 Cb 0.36 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 1ih7 n SER 736 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ih7 s THR 737 N -3.11 4.89 0.43 6.66 2.01 -0.05 -2.90 115.64 123.58 1ih7 s THR 737 Ca 0.09 1.74 -0.24 0.00 0.31 0.00 0.00 61.69 63.59 1ih7 s THR 737 Cb 0.13 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.36 1ih7 s THR 737 CO 0.48 0.08 1.10 -2.65 -0.69 0.00 0.00 174.62 172.93 1ih7 n PRO 738 N 4.76 1.51 -0.21 4.92 -0.02 -1.26 -4.69 135.00 140.02 1ih7 n PRO 738 Ca 0.05 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 1ih7 n PRO 738 Cb 0.49 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1ih7 n PRO 738 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ih7 h LYS 739 N 1.65 -0.09 -0.04 -0.52 6.56 -1.66 -0.35 116.57 122.12 1ih7 h LYS 739 Ca -0.46 0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.07 1ih7 h LYS 739 Cb 1.32 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.00 1ih7 h LYS 739 CO 0.57 -0.06 -0.28 0.00 -2.06 0.00 0.00 179.45 177.62 1ih7 h ALA 740 N 1.30 1.47 -0.03 3.86 0.00 -1.32 -2.71 119.26 121.83 1ih7 h ALA 740 Ca 0.27 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1ih7 h ALA 740 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ih7 h ALA 740 CO -0.68 0.39 -0.79 0.28 0.00 0.00 0.00 179.25 178.45 1ih7 h VAL 741 N 0.06 1.44 -0.53 0.00 2.07 -1.35 -1.63 116.25 116.30 1ih7 h VAL 741 Ca 0.01 -2.37 0.03 0.00 0.82 0.00 0.00 66.70 65.18 1ih7 h VAL 741 Cb 0.53 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 1ih7 h VAL 741 CO 0.04 0.70 0.31 1.56 0.02 0.00 0.00 177.57 180.19 1ih7 h GLN 742 N 0.16 0.59 -0.27 1.57 4.20 -0.80 0.21 115.11 120.78 1ih7 h GLN 742 Ca -0.04 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.47 1ih7 h GLN 742 Cb 1.39 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ih7 h GLN 742 CO 0.13 0.39 -0.51 0.87 -0.67 0.00 0.00 178.83 179.04 1ih7 h LYS 743 N 0.61 0.75 -0.22 1.46 1.57 -1.45 -2.73 116.57 116.56 1ih7 h LYS 743 Ca 0.22 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1ih7 h LYS 743 Cb 0.04 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1ih7 h LYS 743 CO -0.11 1.08 0.05 0.00 -0.57 0.00 0.00 179.45 179.90 1ih7 h ALA 744 N 0.84 0.29 -0.75 3.86 0.00 -0.78 -1.70 119.26 121.02 1ih7 h ALA 744 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ih7 h ALA 744 Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1ih7 h ALA 744 CO 0.11 -0.05 0.33 -0.07 0.00 0.00 0.00 179.25 179.57 1ih7 h LEU 745 N 0.17 0.99 -0.11 0.00 3.38 -0.64 0.81 115.31 119.91 1ih7 h LEU 745 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ih7 h LEU 745 Cb 0.29 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ih7 h LEU 745 CO 0.00 0.86 0.04 0.50 0.09 0.00 0.00 178.44 179.93 1ih7 h LYS 746 N 1.07 0.17 -0.98 1.13 3.64 -1.38 -1.11 116.57 119.12 1ih7 h LYS 746 Ca 0.25 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.66 1ih7 h LYS 746 Cb 0.15 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1ih7 h LYS 746 CO -0.03 0.32 0.64 1.49 -2.27 0.00 0.00 179.45 179.60 1ih7 h GLU 747 N -0.00 1.14 -0.68 1.90 4.57 -0.92 0.23 114.58 120.82 1ih7 h GLU 747 Ca 0.04 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ih7 h GLU 747 Cb 0.21 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1ih7 h GLU 747 CO -0.00 0.75 0.42 0.00 -1.18 0.00 0.00 179.01 179.00 1ih7 h ILE 749 N 0.93 1.30 -0.39 0.00 2.04 -0.09 -1.53 117.51 119.77 1ih7 h ILE 749 Ca 0.25 -1.47 0.03 0.00 1.00 0.00 0.00 64.86 64.67 1ih7 h ILE 749 Cb -0.04 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1ih7 h ILE 749 CO -0.05 0.47 0.19 -0.09 0.00 0.00 0.00 178.15 178.67 1ih7 h ARG 750 N 0.43 0.38 -0.53 2.37 2.43 -0.30 -1.34 114.38 117.83 1ih7 h ARG 750 Ca 0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1ih7 h ARG 750 Cb 0.87 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1ih7 h ARG 750 CO 0.07 0.25 0.23 0.00 -1.51 0.00 0.00 179.97 179.01 1ih7 h ARG 751 N 0.39 0.78 -0.09 0.20 3.08 -1.07 0.87 114.38 118.53 1ih7 h ARG 751 Ca 0.17 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1ih7 h ARG 751 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1ih7 h ARG 751 CO -0.12 0.67 -0.03 0.52 -1.07 0.00 0.00 179.97 179.93 1ih7 h MET 752 N 0.71 -0.01 -0.06 0.04 2.86 -0.88 0.36 114.93 117.94 1ih7 h MET 752 Ca 0.18 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.66 1ih7 h MET 752 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1ih7 h MET 752 CO -0.02 -0.01 -0.65 -0.07 1.06 0.00 0.00 176.91 177.23 1ih7 h LEU 753 N -0.01 0.29 0.00 1.22 3.38 -1.12 -0.38 115.31 118.69 1ih7 h LEU 753 Ca 0.04 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1ih7 h LEU 753 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ih7 h LEU 753 CO -0.10 0.85 -1.94 0.00 0.09 0.00 0.00 178.44 177.35 1ih7 n GLN 754 N -3.84 0.86 0.00 1.13 6.02 0.29 -1.59 117.38 120.25 1ih7 n GLN 754 Ca -0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1ih7 n GLN 754 Cb 0.65 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.49 1ih7 n GLN 754 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ih7 n GLU 755 N -2.32 3.14 0.00 -1.09 1.02 0.10 -3.83 120.64 117.66 1ih7 n GLU 755 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1ih7 n GLU 755 Cb 0.70 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 1ih7 n GLU 755 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ih7 n GLY 756 N 2.67 1.53 0.20 0.62 0.00 0.17 -3.48 105.19 106.91 1ih7 n GLY 756 Ca 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 1ih7 n GLY 756 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ih7 h GLU 757 N 0.00 0.21 -0.55 1.61 4.81 -1.84 -2.15 114.58 116.68 1ih7 h GLU 757 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1ih7 h GLU 757 Cb 0.00 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1ih7 h GLU 757 CO 0.00 0.14 0.30 1.49 -0.73 0.00 0.00 179.01 180.21 1ih7 h GLU 758 N 0.22 0.57 -0.64 1.92 4.57 -1.92 -0.77 114.58 118.52 1ih7 h GLU 758 Ca 0.26 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1ih7 h GLU 758 Cb 0.36 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1ih7 h GLU 758 CO -0.35 0.37 0.07 1.03 -1.18 0.00 0.00 179.01 178.95 1ih7 h SER 759 N 0.58 1.04 -0.16 1.04 0.87 -1.73 -2.31 113.55 112.89 1ih7 h SER 759 Ca 0.24 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1ih7 h SER 759 Cb 0.11 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1ih7 h SER 759 CO -0.14 1.05 0.01 0.25 -0.53 0.00 0.00 176.83 177.47 1ih7 h LEU 760 N 1.00 -0.04 -1.48 2.23 5.85 -0.76 -1.69 115.31 120.43 1ih7 h LEU 760 Ca 0.19 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1ih7 h LEU 760 Cb 0.48 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1ih7 h LEU 760 CO 0.02 0.00 0.40 1.56 -0.34 0.00 0.00 178.44 180.08 1ih7 h GLN 761 N 0.07 0.64 -0.01 1.25 4.20 -0.93 0.95 115.11 121.27 1ih7 h GLN 761 Ca 0.07 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.53 1ih7 h GLN 761 Cb 0.08 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1ih7 h GLN 761 CO -0.12 0.42 -0.90 1.05 -0.67 0.00 0.00 178.83 178.61 1ih7 h GLU 762 N 0.66 0.39 -0.39 1.46 4.11 -0.95 -2.46 114.58 117.41 1ih7 h GLU 762 Ca 0.25 -0.40 -0.15 0.00 0.07 0.00 0.00 59.36 59.13 1ih7 h GLU 762 Cb 0.16 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ih7 h GLU 762 CO -0.07 1.07 -0.33 -0.92 0.07 0.00 0.00 179.01 178.83 1ih7 h TYR 763 N 0.23 1.08 -0.28 2.06 5.03 -0.58 -1.53 116.97 122.98 1ih7 h TYR 763 Ca -0.07 -0.31 0.04 0.00 2.58 0.00 0.00 58.73 60.97 1ih7 h TYR 763 Cb 1.53 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.54 1ih7 h TYR 763 CO 0.05 1.13 0.07 0.35 -1.32 0.00 0.00 178.16 178.44 1ih7 h PHE 764 N 0.72 0.12 -0.78 -3.82 3.57 -0.83 0.10 116.94 116.03 1ih7 h PHE 764 Ca 0.07 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1ih7 h PHE 764 Cb 0.92 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1ih7 h PHE 764 CO 0.06 0.04 0.52 -0.22 -2.23 0.00 0.00 178.31 176.48 1ih7 h LYS 765 N 0.18 1.00 0.10 1.11 3.64 -1.33 -1.55 116.57 119.72 1ih7 h LYS 765 Ca 0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1ih7 h LYS 765 Cb 0.12 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1ih7 h LYS 765 CO -0.16 0.66 -0.05 1.49 -2.27 0.00 0.00 179.45 179.12 1ih7 h GLU 766 N 1.03 -0.13 -0.50 1.90 4.81 -0.20 -2.28 114.58 119.21 1ih7 h GLU 766 Ca 0.29 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1ih7 h GLU 766 Cb -0.07 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1ih7 h GLU 766 CO -0.07 0.20 0.23 0.35 -0.73 0.00 0.00 179.01 179.00 1ih7 h PHE 767 N -0.48 0.72 -0.97 0.92 3.04 -0.68 -1.90 116.94 117.59 1ih7 h PHE 767 Ca -0.01 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 61.94 1ih7 h PHE 767 Cb 0.39 -0.22 -0.06 0.00 2.56 0.00 0.00 35.95 38.62 1ih7 h PHE 767 CO 0.04 0.57 0.63 1.49 -2.02 0.00 0.00 178.31 179.02 1ih7 h GLU 768 N 0.66 1.16 -0.39 1.11 4.22 -1.33 0.22 114.58 120.24 1ih7 h GLU 768 Ca 0.17 -0.07 -0.09 0.00 0.08 0.00 0.00 59.36 59.45 1ih7 h GLU 768 Cb 0.13 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1ih7 h GLU 768 CO -0.02 0.77 -0.14 -0.22 -2.18 0.00 0.00 179.01 177.22 1ih7 h LYS 769 N 1.20 0.70 0.00 1.92 3.64 -1.04 -3.13 116.57 119.86 1ih7 h LYS 769 Ca 0.39 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ih7 h LYS 769 Cb 0.04 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ih7 h LYS 769 CO -0.13 0.81 -0.54 1.49 -2.27 0.00 0.00 179.45 178.81 1ih7 h GLU 770 N 0.63 0.00 -0.87 1.90 4.81 -0.54 -3.40 114.58 117.11 1ih7 h GLU 770 Ca 0.10 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.51 1ih7 h GLU 770 Cb 0.61 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.82 1ih7 h GLU 770 CO 0.04 0.00 -0.21 0.35 -0.73 0.00 0.00 179.01 178.46 1ih7 h PHE 771 N 0.00 -0.45 0.00 0.92 3.57 -0.53 -0.74 116.94 119.70 1ih7 h PHE 771 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ih7 h PHE 771 Cb 0.99 0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1ih7 h PHE 771 CO 0.00 -0.37 0.00 0.54 -2.23 0.00 0.00 178.31 176.25 1ih7 n ARG 772 N -5.56 0.65 0.00 1.11 1.74 -1.26 -2.33 116.66 111.01 1ih7 n ARG 772 Ca 0.13 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.25 1ih7 n ARG 772 Cb 0.44 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1ih7 n ARG 772 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ih7 n GLN 773 N -0.85 2.03 -2.26 5.56 3.00 -0.29 -5.01 117.38 119.56 1ih7 n GLN 773 Ca 0.11 -0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 56.18 1ih7 n GLN 773 Cb 0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 30.24 29.23 1ih7 n GLN 773 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1ih7 s LEU 774 N -1.48 3.61 0.32 1.08 1.43 -0.99 -4.99 118.68 117.67 1ih7 s LEU 774 Ca 0.08 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.64 1ih7 s LEU 774 Cb 0.07 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.65 1ih7 s LEU 774 CO 0.21 -0.90 1.44 0.21 0.23 0.00 0.00 176.35 177.54 1ih7 s ASN 775 N -2.73 6.54 0.43 2.29 3.84 -1.26 -4.90 114.94 119.15 1ih7 s ASN 775 Ca 0.63 2.85 0.13 0.00 0.21 0.00 0.00 52.86 56.68 1ih7 s ASN 775 Cb -0.14 -2.65 1.02 0.00 -0.55 0.00 0.00 41.25 38.93 1ih7 s ASN 775 CO 0.32 -0.75 1.98 0.10 -2.79 0.00 0.00 177.10 175.96 1ih7 h TYR 776 N 3.87 0.44 -0.29 0.43 -0.00 -1.97 -1.70 116.97 117.75 1ih7 h TYR 776 Ca -0.49 0.01 -0.09 0.00 0.00 0.00 0.00 58.73 58.16 1ih7 h TYR 776 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 37.80 1ih7 h TYR 776 CO 0.56 0.22 -0.22 0.82 -0.00 0.00 0.00 178.16 179.54 1ih7 h ILE 777 N 0.42 1.26 0.00 -0.90 2.04 -1.95 -2.68 117.51 115.70 1ih7 h ILE 777 Ca 0.27 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1ih7 h ILE 777 Cb 0.50 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1ih7 h ILE 777 CO -0.07 0.40 0.00 0.77 0.00 0.00 0.00 178.15 179.24 1ih7 h SER 778 N 0.48 0.00 -0.05 1.72 4.64 -1.68 -3.14 113.55 115.52 1ih7 h SER 778 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ih7 h SER 778 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1ih7 h SER 778 CO 0.05 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 1ih7 n ILE 779 N -2.82 0.10 -2.95 0.95 -5.35 -1.08 -0.83 119.36 107.37 1ih7 n ILE 779 Ca 0.01 -0.55 -0.37 0.00 -0.27 0.00 0.00 62.75 61.58 1ih7 n ILE 779 Cb 0.30 1.18 -0.06 0.00 -1.74 0.00 0.00 39.64 39.32 1ih7 n ILE 779 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ih7 s ALA 780 N -1.01 3.34 0.59 -1.28 0.00 -1.03 -4.79 121.76 117.57 1ih7 s ALA 780 Ca 0.15 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1ih7 s ALA 780 Cb 0.10 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1ih7 s ALA 780 CO 0.15 0.26 0.87 -1.54 0.00 0.00 0.00 175.76 175.51 1ih7 s SER 781 N -1.57 5.42 -0.04 0.00 1.04 -1.15 -4.07 113.70 113.33 1ih7 s SER 781 Ca 0.45 0.49 0.06 0.00 0.48 0.00 0.00 55.95 57.43 1ih7 s SER 781 Cb -0.18 -1.43 -0.01 0.00 0.10 0.00 0.00 66.02 64.49 1ih7 s SER 781 CO 0.23 -1.13 -0.24 -0.69 0.98 0.00 0.00 173.24 172.39 1ih7 s VAL 782 N -2.95 1.93 0.06 5.02 1.01 -1.14 -0.80 120.40 123.53 1ih7 s VAL 782 Ca 0.55 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1ih7 s VAL 782 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1ih7 s VAL 782 CO 0.43 0.54 -0.04 -0.44 0.00 0.00 0.00 175.10 175.59 1ih7 s SER 783 N -0.29 0.69 -0.10 3.32 0.01 -0.14 -4.19 113.70 113.00 1ih7 s SER 783 Ca 0.01 -0.91 -0.15 0.00 1.31 0.00 0.00 55.95 56.21 1ih7 s SER 783 Cb -0.12 0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 1ih7 s SER 783 CO 0.02 -0.49 0.38 -0.44 0.41 0.00 0.00 173.24 173.12 1ih7 s SER 784 N -2.68 6.62 -1.31 2.44 0.01 -1.26 0.37 113.70 117.88 1ih7 s SER 784 Ca 0.04 0.73 -0.14 0.00 1.31 0.00 0.00 55.95 57.90 1ih7 s SER 784 Cb 0.04 -2.23 0.11 0.00 0.21 0.00 0.00 66.02 64.15 1ih7 s SER 784 CO -0.07 0.13 1.82 0.00 0.41 0.00 0.00 173.24 175.54 1ih7 n ALA 785 N 3.11 4.62 -2.84 1.44 0.00 0.22 -4.95 120.51 122.11 1ih7 n ALA 785 Ca -0.11 -4.08 -0.37 0.00 0.00 0.00 0.00 53.44 48.88 1ih7 n ALA 785 Cb 0.52 -3.28 -0.06 0.00 0.00 0.00 0.00 19.45 16.63 1ih7 n ALA 785 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ih7 s ASN 786 N 2.70 6.43 -1.23 0.00 0.01 -1.26 0.97 114.94 122.56 1ih7 s ASN 786 Ca 0.46 0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 53.11 1ih7 s ASN 786 Cb 0.06 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.64 1ih7 s ASN 786 CO -0.00 0.39 0.96 0.59 -1.51 0.00 0.00 177.10 177.53 1ih7 n ASN 787 N 1.91 -2.12 0.19 -1.22 5.03 -1.26 -4.95 115.26 112.83 1ih7 n ASN 787 Ca -0.19 -0.65 -0.14 0.00 0.87 0.00 0.00 54.58 54.48 1ih7 n ASN 787 Cb 0.55 -4.95 -0.08 0.00 -1.02 0.00 0.00 39.78 34.28 1ih7 n ASN 787 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1ih7 h ILE 788 N -1.93 0.61 -0.94 2.41 2.04 -2.00 -3.21 117.51 114.49 1ih7 h ILE 788 Ca -0.59 -0.51 0.15 0.00 1.00 0.00 0.00 64.86 64.91 1ih7 h ILE 788 Cb 1.34 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1ih7 h ILE 788 CO 0.51 0.09 0.60 0.00 0.00 0.00 0.00 178.15 179.35 1ih7 h ALA 789 N -0.30 1.76 -0.79 1.87 0.00 -1.93 -2.25 119.26 117.62 1ih7 h ALA 789 Ca -0.05 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1ih7 h ALA 789 Cb 0.52 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1ih7 h ALA 789 CO 0.08 -0.03 0.31 -0.22 0.00 0.00 0.00 179.25 179.39 1ih7 h LYS 790 N 0.76 0.41 -0.03 0.00 3.64 -1.95 -0.63 116.57 118.76 1ih7 h LYS 790 Ca 0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1ih7 h LYS 790 Cb 0.73 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ih7 h LYS 790 CO -0.25 0.27 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 1ih7 n TYR 791 N -5.03 0.00 -2.49 1.91 4.02 -0.89 -4.84 117.16 109.84 1ih7 n TYR 791 Ca 0.16 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.64 1ih7 n TYR 791 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.76 1ih7 n TYR 791 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ih7 s ASP 792 N -2.00 6.06 -0.58 7.72 -1.08 -0.25 -0.39 116.67 126.16 1ih7 s ASP 792 Ca 0.32 -0.37 -0.01 0.00 -0.52 0.00 0.00 52.55 51.97 1ih7 s ASP 792 Cb 0.20 -2.56 0.15 0.00 -1.46 0.00 0.00 42.92 39.26 1ih7 s ASP 792 CO 0.31 -1.90 0.37 -0.69 0.52 0.00 0.00 175.17 173.78 1ih7 s VAL 793 N 6.12 3.34 -1.00 1.11 1.01 0.36 -4.67 120.40 126.67 1ih7 s VAL 793 Ca 0.39 -3.00 0.00 0.00 0.00 0.00 0.00 61.98 59.37 1ih7 s VAL 793 Cb -0.08 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1ih7 s VAL 793 CO 0.15 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 175.03 1ih7 n GLY 794 N 3.45 1.08 0.00 4.51 0.00 -1.26 -2.21 105.19 110.77 1ih7 n GLY 794 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ih7 n GLY 794 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ih7 n GLY 795 N -1.46 0.22 3.57 -0.02 0.00 -1.26 -5.07 105.19 101.17 1ih7 n GLY 795 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1ih7 n GLY 795 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ih7 s PHE 796 N -2.00 2.47 0.20 1.61 0.40 -0.94 -4.72 117.98 115.01 1ih7 s PHE 796 Ca 0.00 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 1ih7 s PHE 796 Cb 0.00 -1.22 -0.09 0.00 0.51 0.00 0.00 43.02 42.22 1ih7 s PHE 796 CO 0.00 0.61 1.38 -1.25 0.70 0.00 0.00 175.22 176.66 1ih7 s PRO 797 N -3.62 4.33 0.43 0.24 0.04 -1.26 -0.49 135.00 134.67 1ih7 s PRO 797 Ca 0.32 2.15 -0.06 0.00 0.04 0.00 0.00 61.00 63.46 1ih7 s PRO 797 Cb -0.03 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.43 1ih7 s PRO 797 CO 0.18 -0.36 0.59 0.41 0.04 0.00 0.00 177.00 177.86 1ih7 n GLY 798 N 2.58 -0.77 3.77 0.56 0.00 0.47 -4.84 105.19 106.97 1ih7 n GLY 798 Ca 0.08 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1ih7 n GLY 798 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ih7 s PRO 799 N -4.18 3.33 -1.54 1.61 0.04 -1.26 -3.37 135.00 129.62 1ih7 s PRO 799 Ca 0.34 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1ih7 s PRO 799 Cb -0.01 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ih7 s PRO 799 CO 0.24 -0.86 0.00 1.63 0.04 0.00 0.00 177.00 178.05 1ih7 n LYS 800 N -1.38 -1.31 -2.52 4.56 5.02 -1.26 -4.96 118.16 116.31 1ih7 n LYS 800 Ca 0.11 0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 56.88 1ih7 n LYS 800 Cb 0.51 -5.28 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 1ih7 n LYS 800 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ih7 s PRO 802 N 1.63 2.75 0.20 0.00 0.02 -1.26 -4.80 135.00 133.54 1ih7 s PRO 802 Ca 0.55 2.15 -0.10 0.00 0.02 0.00 0.00 61.00 63.62 1ih7 s PRO 802 Cb -0.25 -2.00 0.25 0.00 0.02 0.00 0.00 34.50 32.53 1ih7 s PRO 802 CO 0.25 -1.47 1.75 0.35 -0.33 0.00 0.00 177.00 177.55 1ih7 h PHE 803 N 0.88 0.41 -0.03 6.54 3.57 -1.99 -0.46 116.94 125.86 1ih7 h PHE 803 Ca -0.51 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.90 1ih7 h PHE 803 Cb 1.33 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1ih7 h PHE 803 CO 0.43 0.12 -0.54 1.12 -2.23 0.00 0.00 178.31 177.21 1ih7 h HIS 804 N 0.43 0.11 -0.24 0.41 2.07 -1.98 -2.06 115.15 113.88 1ih7 h HIS 804 Ca 0.29 -0.04 -0.14 0.00 -2.85 0.00 0.00 60.37 57.63 1ih7 h HIS 804 Cb 0.33 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.28 1ih7 h HIS 804 CO -0.16 0.61 -0.43 0.82 -3.07 0.00 0.00 177.93 175.71 1ih7 h ILE 805 N 0.07 1.30 -0.87 6.12 1.08 -1.75 -0.82 117.51 122.65 1ih7 h ILE 805 Ca -0.00 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1ih7 h ILE 805 Cb 0.98 1.58 -0.04 0.00 -3.07 0.00 0.00 36.82 36.27 1ih7 h ILE 805 CO 0.08 0.51 0.53 -0.09 -0.69 0.00 0.00 178.15 178.49 1ih7 h ARG 806 N 0.49 1.17 -0.52 2.37 2.43 -0.82 -0.28 114.38 119.22 1ih7 h ARG 806 Ca 0.04 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1ih7 h ARG 806 Cb 0.95 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1ih7 h ARG 806 CO 0.09 0.81 0.11 0.78 -1.51 0.00 0.00 179.97 180.25 1ih7 h GLY 807 N 1.20 0.90 1.14 2.80 0.00 -0.73 -1.63 103.07 106.76 1ih7 h GLY 807 Ca 0.31 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1ih7 h GLY 807 CO -0.06 0.54 0.38 -2.22 0.00 0.00 0.00 176.54 175.17 1ih7 h ILE 808 N 0.73 1.24 -0.52 2.60 2.04 -0.44 -1.35 117.51 121.80 1ih7 h ILE 808 Ca 0.16 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 1ih7 h ILE 808 Cb 0.35 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1ih7 h ILE 808 CO 0.00 0.29 -0.14 -0.07 0.00 0.00 0.00 178.15 178.23 1ih7 h LEU 809 N 1.10 1.02 -1.02 1.44 3.38 -0.69 -0.97 115.31 119.58 1ih7 h LEU 809 Ca 0.27 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1ih7 h LEU 809 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ih7 h LEU 809 CO -0.04 1.15 -0.44 0.71 0.09 0.00 0.00 178.44 179.92 1ih7 h THR 810 N 0.89 1.14 -0.02 0.22 1.35 -1.04 -2.16 112.91 113.30 1ih7 h THR 810 Ca 0.13 -1.60 -0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1ih7 h THR 810 Cb 0.71 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1ih7 h THR 810 CO 0.05 0.43 -0.00 0.22 -0.25 0.00 0.00 175.52 175.97 1ih7 h TYR 811 N 0.00 0.04 -1.00 4.73 3.20 -0.90 -1.99 116.97 121.05 1ih7 h TYR 811 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1ih7 h TYR 811 Cb 0.87 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 1ih7 h TYR 811 CO 0.00 0.35 0.64 -0.91 -1.64 0.00 0.00 178.16 176.61 1ih7 h ASN 812 N -0.29 1.02 -0.49 -2.11 2.35 -0.94 -0.08 115.58 115.03 1ih7 h ASN 812 Ca 0.01 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1ih7 h ASN 812 Cb 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1ih7 h ASN 812 CO 0.00 0.64 0.10 0.03 -1.65 0.00 0.00 177.43 176.55 1ih7 h ARG 813 N 1.15 0.86 -0.29 0.81 3.08 -1.28 -2.89 114.38 115.82 1ih7 h ARG 813 Ca 0.44 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.21 1ih7 h ARG 813 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1ih7 h ARG 813 CO -0.19 0.80 -0.20 0.00 -1.07 0.00 0.00 179.97 179.30 1ih7 h ALA 814 N 1.29 1.10 -3.00 0.04 0.00 -0.28 -3.52 119.26 114.89 1ih7 h ALA 814 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ih7 h ALA 814 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ih7 h ALA 814 CO 0.00 0.56 0.00 0.44 0.00 0.00 0.00 179.25 180.25 1ih7 n ILE 815 N -4.14 0.00 0.00 0.00 -5.35 -0.49 -5.03 119.36 104.35 1ih7 n ILE 815 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ih7 n ILE 815 Cb 0.38 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 1ih7 n ILE 815 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1ih7 n PRO 822 N 0.00 0.00 -4.15 6.28 -0.04 -1.26 -5.05 135.00 130.78 1ih7 n PRO 822 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1ih7 n PRO 822 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1ih7 n PRO 822 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ih7 s GLN 823 N 0.00 2.79 -0.19 0.54 2.00 -1.26 -4.90 119.66 118.63 1ih7 s GLN 823 Ca 0.00 -0.68 -0.25 0.00 -2.00 0.00 0.00 55.36 52.44 1ih7 s GLN 823 Cb 0.00 -2.68 -0.01 0.00 0.80 0.00 0.00 33.01 31.12 1ih7 s GLN 823 CO 0.00 0.59 0.81 0.08 -0.50 0.00 0.00 175.29 176.27 1ih7 s VAL 824 N -1.25 4.88 -0.14 1.34 1.01 -1.26 -4.82 120.40 120.16 1ih7 s VAL 824 Ca 0.24 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.69 1ih7 s VAL 824 Cb -0.12 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1ih7 s VAL 824 CO 0.16 0.01 0.19 -0.69 0.00 0.00 0.00 175.10 174.77 1ih7 s VAL 825 N 2.31 5.39 0.17 2.92 1.01 -1.26 -5.04 120.40 125.90 1ih7 s VAL 825 Ca 0.36 0.33 -0.32 0.00 0.00 0.00 0.00 61.98 62.36 1ih7 s VAL 825 Cb -0.16 -3.50 -0.17 0.00 0.00 0.00 0.00 36.38 32.55 1ih7 s VAL 825 CO 0.11 0.51 0.93 -0.62 0.00 0.00 0.00 175.10 176.03 1ih7 n GLU 826 N 2.80 0.64 0.00 2.72 -0.58 -1.26 -1.08 120.64 123.88 1ih7 n GLU 826 Ca -0.16 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1ih7 n GLU 826 Cb 0.53 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1ih7 n GLU 826 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ih7 n GLY 827 N 1.80 2.82 3.79 0.62 0.00 0.27 -4.99 105.19 109.51 1ih7 n GLY 827 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ih7 n GLY 827 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ih7 s GLU 828 N 0.00 0.76 0.22 1.61 0.41 -0.24 -4.23 118.70 117.23 1ih7 s GLU 828 Ca 0.00 0.12 -0.09 0.00 -0.41 0.00 0.00 54.97 54.58 1ih7 s GLU 828 Cb 0.00 -1.81 -0.07 0.00 -1.78 0.00 0.00 34.13 30.47 1ih7 s GLU 828 CO 0.00 -2.42 0.54 0.15 -0.49 0.00 0.00 175.26 173.03 1ih7 s LYS 829 N -5.41 3.79 0.02 1.61 1.02 -1.26 0.70 119.74 120.21 1ih7 s LYS 829 Ca 0.66 0.26 -0.00 0.00 0.02 0.00 0.00 55.97 56.91 1ih7 s LYS 829 Cb -0.12 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1ih7 s LYS 829 CO 0.53 0.34 -0.02 0.14 -0.92 0.00 0.00 175.35 175.42 1ih7 s VAL 830 N -1.79 0.09 0.41 3.17 -7.23 0.16 -1.77 120.40 113.44 1ih7 s VAL 830 Ca 0.46 -0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 59.71 1ih7 s VAL 830 Cb -0.11 -0.22 -0.10 0.00 0.56 0.00 0.00 36.38 36.50 1ih7 s VAL 830 CO 0.21 -0.40 0.91 -0.31 -0.31 0.00 0.00 175.10 175.20 1ih7 s TYR 831 N -1.18 3.33 -0.02 2.82 2.02 0.33 -0.96 117.35 123.69 1ih7 s TYR 831 Ca -0.13 1.53 0.03 0.00 -0.37 0.00 0.00 57.07 58.13 1ih7 s TYR 831 Cb -0.08 -2.79 -0.00 0.00 -0.40 0.00 0.00 41.96 38.69 1ih7 s TYR 831 CO -0.01 -0.08 -0.10 0.08 -1.57 0.00 0.00 175.55 173.87 1ih7 s VAL 832 N -2.17 0.80 -0.01 0.71 1.01 0.02 -2.18 120.40 118.58 1ih7 s VAL 832 Ca 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1ih7 s VAL 832 Cb -0.09 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1ih7 s VAL 832 CO 0.15 0.24 0.00 -0.76 0.00 0.00 0.00 175.10 174.73 1ih7 s LEU 833 N 0.04 1.49 0.51 3.92 1.43 -0.55 -2.92 118.68 122.60 1ih7 s LEU 833 Ca -0.01 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 1ih7 s LEU 833 Cb -0.07 -0.11 -0.08 0.00 0.03 0.00 0.00 46.19 45.96 1ih7 s LEU 833 CO 0.00 -0.06 0.99 -2.16 0.23 0.00 0.00 176.35 175.35 1ih7 s PRO 834 N 0.59 3.93 -0.00 1.29 0.04 -1.26 -1.20 135.00 138.39 1ih7 s PRO 834 Ca -0.05 1.03 0.08 0.00 0.04 0.00 0.00 61.00 62.09 1ih7 s PRO 834 Cb -0.08 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1ih7 s PRO 834 CO -0.01 -0.29 -0.24 -0.51 0.04 0.00 0.00 177.00 175.98 1ih7 s LEU 835 N -3.93 2.08 0.73 -3.56 1.02 0.33 -1.57 118.68 113.78 1ih7 s LEU 835 Ca 0.60 -0.48 -0.13 0.00 0.02 0.00 0.00 54.13 54.15 1ih7 s LEU 835 Cb -0.11 -1.24 0.03 0.00 0.02 0.00 0.00 46.19 44.90 1ih7 s LEU 835 CO 0.28 0.28 1.11 -0.13 0.02 0.00 0.00 176.35 177.91 1ih7 s ARG 836 N -0.76 2.44 0.33 1.70 0.52 0.16 -4.60 118.95 118.74 1ih7 s ARG 836 Ca 0.10 1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 56.32 1ih7 s ARG 836 Cb -0.09 -1.91 -0.10 0.00 0.52 0.00 0.00 34.95 33.36 1ih7 s ARG 836 CO -0.00 -1.52 1.36 -1.21 0.02 0.00 0.00 175.30 173.95 1ih7 s GLU 837 N -4.50 4.29 0.00 3.54 2.02 -1.26 -2.92 118.70 119.87 1ih7 s GLU 837 Ca 0.64 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.94 1ih7 s GLU 837 Cb -0.19 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1ih7 s GLU 837 CO 0.49 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1ih7 n GLY 838 N 0.91 0.68 3.78 -1.39 0.00 -1.26 -5.06 105.19 102.85 1ih7 n GLY 838 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1ih7 n GLY 838 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ih7 s ASN 839 N -2.79 5.54 0.00 1.61 2.20 -1.15 -4.94 114.94 115.41 1ih7 s ASN 839 Ca 0.00 2.06 0.24 0.00 -0.94 0.00 0.00 52.86 54.22 1ih7 s ASN 839 Cb 0.00 -2.56 1.39 0.00 -2.00 0.00 0.00 41.25 38.08 1ih7 s ASN 839 CO 0.00 -1.34 1.81 -0.81 -2.94 0.00 0.00 177.10 173.83 1ih7 n PRO 840 N -1.77 0.65 0.00 3.55 -0.04 -1.26 -3.52 135.00 132.61 1ih7 n PRO 840 Ca 0.11 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1ih7 n PRO 840 Cb 0.52 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.92 1ih7 n PRO 840 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ih7 n PHE 841 N -1.08 0.00 -1.01 0.54 3.01 -1.26 -4.96 117.46 112.71 1ih7 n PHE 841 Ca 0.16 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.62 1ih7 n PHE 841 Cb 0.11 -0.31 -0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1ih7 n PHE 841 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ih7 n GLY 842 N 1.44 0.42 3.82 1.37 0.00 -1.23 -4.91 105.19 106.11 1ih7 n GLY 842 Ca 0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 1ih7 n GLY 842 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ih7 s ASP 843 N -2.82 -0.08 0.00 1.61 3.68 -1.26 -5.04 116.67 112.76 1ih7 s ASP 843 Ca 0.00 -0.63 0.17 0.00 2.13 0.00 0.00 52.55 54.21 1ih7 s ASP 843 Cb 0.00 0.55 0.85 0.00 -1.45 0.00 0.00 42.92 42.88 1ih7 s ASP 843 CO 0.00 -1.07 1.57 2.29 0.13 0.00 0.00 175.17 178.09 1ih7 n LYS 844 N -0.58 1.22 -3.66 4.34 2.85 -1.26 -4.70 118.16 116.36 1ih7 n LYS 844 Ca -0.05 -0.33 -0.04 0.00 -1.05 0.00 0.00 58.31 56.84 1ih7 n LYS 844 Cb 0.60 -1.28 -0.01 0.00 -0.65 0.00 0.00 35.03 33.68 1ih7 n LYS 844 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ih7 s ILE 846 N -3.07 0.04 0.12 0.00 2.07 -0.34 -4.38 121.20 115.64 1ih7 s ILE 846 Ca 0.11 -0.32 0.04 0.00 -1.41 0.00 0.00 60.65 59.07 1ih7 s ILE 846 Cb -0.00 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1ih7 s ILE 846 CO -0.02 -0.17 -0.11 0.00 -1.91 0.00 0.00 174.94 172.73 1ih7 s ALA 847 N -0.78 1.29 0.14 1.50 0.00 -0.71 -1.48 121.76 121.72 1ih7 s ALA 847 Ca -0.09 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1ih7 s ALA 847 Cb -0.04 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.13 1ih7 s ALA 847 CO 0.03 -0.03 0.44 1.67 0.00 0.00 0.00 175.76 177.86 1ih7 s TRP 848 N -2.68 -0.24 -0.09 0.00 -2.14 -0.93 -4.55 118.94 108.32 1ih7 s TRP 848 Ca 0.10 -0.07 -0.39 0.00 2.66 0.00 0.00 56.10 58.40 1ih7 s TRP 848 Cb -0.01 0.31 -0.17 0.00 -3.10 0.00 0.00 33.47 30.50 1ih7 s TRP 848 CO 0.01 -0.74 1.47 -2.30 -2.66 0.00 0.00 176.95 172.72 1ih7 n PRO 849 N -0.26 0.96 -1.04 3.25 -0.02 -1.26 -0.52 135.00 136.12 1ih7 n PRO 849 Ca -0.16 0.35 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 1ih7 n PRO 849 Cb 0.64 -1.98 0.12 0.00 -0.02 0.00 0.00 33.50 32.26 1ih7 n PRO 849 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ih7 s SER 850 N 1.65 3.83 0.00 2.55 1.04 -0.73 -2.91 113.70 119.13 1ih7 s SER 850 Ca 0.91 1.95 0.00 0.00 0.48 0.00 0.00 55.95 59.29 1ih7 s SER 850 Cb -1.06 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 62.53 1ih7 s SER 850 CO 0.57 -2.49 0.00 0.61 0.98 0.00 0.00 173.24 172.91 1ih7 n GLY 851 N -0.65 0.45 3.11 7.32 0.00 -1.26 -4.98 105.19 109.18 1ih7 n GLY 851 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1ih7 n GLY 851 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ih7 s THR 852 N -2.09 0.48 0.53 2.61 -4.23 -1.15 -4.66 115.64 107.13 1ih7 s THR 852 Ca 0.00 -1.62 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 1ih7 s THR 852 Cb 0.00 -1.27 -0.06 0.00 1.34 0.00 0.00 72.50 72.51 1ih7 s THR 852 CO 0.00 -0.77 0.93 -1.61 -0.54 0.00 0.00 174.62 172.64 1ih7 s GLU 853 N -3.15 3.74 0.01 3.99 0.41 -1.26 -4.92 118.70 117.53 1ih7 s GLU 853 Ca 0.03 0.69 -0.30 0.00 -0.41 0.00 0.00 54.97 54.98 1ih7 s GLU 853 Cb 0.01 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.13 1ih7 s GLU 853 CO -0.05 -0.33 1.12 0.42 -0.49 0.00 0.00 175.26 175.94 1ih7 s ILE 854 N -2.79 4.37 0.32 -1.63 1.01 -1.26 -4.96 121.20 116.25 1ih7 s ILE 854 Ca 0.54 1.70 -0.25 0.00 0.00 0.00 0.00 60.65 62.64 1ih7 s ILE 854 Cb -0.10 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.13 1ih7 s ILE 854 CO 0.41 0.10 0.51 1.07 0.00 0.00 0.00 174.94 177.04 1ih7 n THR 855 N 4.06 1.65 -0.35 2.92 5.66 -1.26 -4.42 114.28 122.54 1ih7 n THR 855 Ca 0.08 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.65 1ih7 n THR 855 Cb 0.48 -0.30 0.24 0.00 -1.55 0.00 0.00 70.33 69.20 1ih7 n THR 855 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1ih7 h ASP 856 N 0.95 0.92 -0.04 1.09 3.32 -1.99 -1.09 116.42 119.58 1ih7 h ASP 856 Ca -0.35 0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.75 1ih7 h ASP 856 Cb 1.41 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1ih7 h ASP 856 CO 0.54 0.52 0.19 0.17 -1.72 0.00 0.00 179.24 178.94 1ih7 h LEU 857 N 1.00 0.00 0.00 1.55 -0.00 -2.02 -3.09 115.31 112.75 1ih7 h LEU 857 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 1ih7 h LEU 857 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1ih7 h LEU 857 CO -0.23 0.00 -0.07 2.30 -0.00 0.00 0.00 178.44 180.44 1ih7 n ILE 858 N -3.13 0.00 -0.10 0.15 -5.35 -1.07 -4.88 119.36 104.98 1ih7 n ILE 858 Ca -0.02 -0.24 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 1ih7 n ILE 858 Cb 0.27 0.91 -0.06 0.00 -1.74 0.00 0.00 39.64 39.01 1ih7 n ILE 858 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ih7 h LYS 859 N 0.00 -0.37 -0.13 6.28 3.64 -1.12 -0.12 116.57 124.75 1ih7 h LYS 859 Ca 0.00 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1ih7 h LYS 859 Cb 0.00 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1ih7 h LYS 859 CO 0.00 -0.25 -0.16 -0.44 -2.27 0.00 0.00 179.45 176.33 1ih7 h ASP 860 N -0.39 0.20 -0.36 4.20 5.19 -1.87 -0.64 116.42 122.75 1ih7 h ASP 860 Ca 0.11 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.41 1ih7 h ASP 860 Cb 0.60 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1ih7 h ASP 860 CO -0.55 0.39 -0.02 0.44 -3.12 0.00 0.00 179.24 176.38 1ih7 h ASP 861 N 0.20 0.64 0.11 6.45 3.32 -1.69 -1.29 116.42 124.16 1ih7 h ASP 861 Ca 0.04 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1ih7 h ASP 861 Cb 0.41 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ih7 h ASP 861 CO 0.03 0.81 -0.07 0.58 -1.72 0.00 0.00 179.24 178.87 1ih7 h VAL 862 N 0.46 0.86 0.00 -1.35 2.07 -0.59 -1.91 116.25 115.79 1ih7 h VAL 862 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1ih7 h VAL 862 Cb 0.50 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1ih7 h VAL 862 CO 0.02 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.44 1ih7 h LEU 863 N -0.17 0.00 -0.50 2.57 3.38 -1.04 -0.32 115.31 119.23 1ih7 h LEU 863 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1ih7 h LEU 863 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ih7 h LEU 863 CO 0.01 0.10 -0.51 -0.74 0.09 0.00 0.00 178.44 177.39 1ih7 h HIS 864 N 0.00 0.00 -0.10 1.13 2.76 -0.83 -3.19 115.15 114.93 1ih7 h HIS 864 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1ih7 h HIS 864 Cb 0.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1ih7 h HIS 864 CO 0.00 0.51 0.00 0.91 -1.30 0.00 0.00 177.93 178.05 1ih7 n TRP 865 N -3.42 0.10 -1.67 5.26 7.02 -0.63 -4.98 117.44 119.12 1ih7 n TRP 865 Ca 0.00 -0.05 -0.46 0.00 -1.02 0.00 0.00 57.50 55.98 1ih7 n TRP 865 Cb 0.64 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.50 1ih7 n TRP 865 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1ih7 n MET 866 N 1.32 2.07 -3.17 -0.99 2.81 -0.22 -0.67 117.12 118.27 1ih7 n MET 866 Ca 0.14 0.74 -0.45 0.00 -1.81 0.00 0.00 57.70 56.33 1ih7 n MET 866 Cb 0.58 -2.47 -0.01 0.00 -0.71 0.00 0.00 33.22 30.61 1ih7 n MET 866 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ih7 s ASP 867 N 0.66 6.92 0.26 7.83 -1.08 -0.61 -4.68 116.67 125.98 1ih7 s ASP 867 Ca 0.75 -2.80 -0.03 0.00 -0.52 0.00 0.00 52.55 49.95 1ih7 s ASP 867 Cb -0.68 -2.29 0.41 0.00 -1.46 0.00 0.00 42.92 38.90 1ih7 s ASP 867 CO 0.43 -0.65 1.87 1.88 0.52 0.00 0.00 175.17 179.21 1ih7 h TYR 868 N 7.67 1.14 -0.12 -5.34 0.05 -1.91 -1.41 116.97 117.06 1ih7 h TYR 868 Ca 0.17 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.98 1ih7 h TYR 868 Cb 0.97 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1ih7 h TYR 868 CO 1.01 0.57 0.07 1.15 -1.05 0.00 0.00 178.16 179.91 1ih7 h THR 869 N 1.10 1.02 -0.59 -2.88 2.02 -1.99 0.91 112.91 112.49 1ih7 h THR 869 Ca 0.43 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.48 1ih7 h THR 869 Cb 0.21 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1ih7 h THR 869 CO -0.19 0.03 0.06 0.58 0.37 0.00 0.00 175.52 176.37 1ih7 h VAL 870 N 0.14 1.26 0.11 3.16 2.07 -1.91 -1.22 116.25 119.86 1ih7 h VAL 870 Ca 0.04 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1ih7 h VAL 870 Cb -0.01 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1ih7 h VAL 870 CO -0.02 0.38 -0.22 0.25 0.02 0.00 0.00 177.57 177.98 1ih7 h LEU 871 N 0.91 -0.62 -0.34 2.57 6.46 -0.88 -0.89 115.31 122.51 1ih7 h LEU 871 Ca 0.18 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 1ih7 h LEU 871 Cb 0.47 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.61 1ih7 h LEU 871 CO 0.02 -0.31 0.16 0.25 -0.62 0.00 0.00 178.44 177.94 1ih7 h LEU 872 N -0.41 0.22 -0.00 2.25 5.85 -0.71 -0.77 115.31 121.73 1ih7 h LEU 872 Ca 0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ih7 h LEU 872 Cb 0.44 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1ih7 h LEU 872 CO -0.13 0.17 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.97 1ih7 h GLU 873 N 0.33 -0.15 -0.17 1.25 4.57 -0.99 -0.86 114.58 118.56 1ih7 h GLU 873 Ca 0.15 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1ih7 h GLU 873 Cb 0.07 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1ih7 h GLU 873 CO -0.11 -0.10 -0.12 -0.22 -1.18 0.00 0.00 179.01 177.27 1ih7 h LYS 874 N -0.16 0.38 0.00 1.92 1.63 -1.02 0.34 116.57 119.67 1ih7 h LYS 874 Ca 0.04 -0.18 -0.18 0.00 -0.85 0.00 0.00 60.65 59.47 1ih7 h LYS 874 Cb 0.20 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1ih7 h LYS 874 CO -0.10 0.72 -1.28 1.79 -3.45 0.00 0.00 179.45 177.14 1ih7 h THR 875 N 0.04 0.71 0.00 1.00 1.35 -1.19 -3.41 112.91 111.41 1ih7 h THR 875 Ca 0.03 -2.26 -0.02 0.00 -0.55 0.00 0.00 66.41 63.62 1ih7 h THR 875 Cb 0.63 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1ih7 h THR 875 CO 0.03 0.40 -0.44 0.33 -0.25 0.00 0.00 175.52 175.59 1ih7 n PHE 876 N -3.01 0.00 -0.05 4.73 7.35 -0.43 -4.69 117.46 121.36 1ih7 n PHE 876 Ca -0.08 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.51 1ih7 n PHE 876 Cb 0.87 -0.12 -0.03 0.00 0.35 0.00 0.00 39.48 40.55 1ih7 n PHE 876 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1ih7 h ILE 877 N -0.19 1.09 0.02 -2.13 2.04 -1.25 -2.04 117.51 115.06 1ih7 h ILE 877 Ca -0.03 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1ih7 h ILE 877 Cb 0.40 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1ih7 h ILE 877 CO -0.02 0.09 -0.30 0.50 0.00 0.00 0.00 178.15 178.42 1ih7 h LYS 878 N 0.26 -0.45 -0.56 2.37 3.64 -1.14 0.17 116.57 120.86 1ih7 h LYS 878 Ca 0.08 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1ih7 h LYS 878 Cb 0.03 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1ih7 h LYS 878 CO -0.01 -0.30 0.03 -1.00 -2.27 0.00 0.00 179.45 175.90 1ih7 h PRO 879 N -0.46 0.94 -0.42 1.90 0.13 -1.80 -2.45 132.00 129.83 1ih7 h PRO 879 Ca 0.06 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1ih7 h PRO 879 Cb 0.54 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1ih7 h PRO 879 CO -0.24 0.91 0.28 1.25 -0.23 0.00 0.00 178.00 179.97 1ih7 h LEU 880 N 0.87 0.49 -1.55 1.56 6.46 -1.03 -1.14 115.31 120.97 1ih7 h LEU 880 Ca 0.17 -0.02 0.09 0.00 -0.12 0.00 0.00 57.88 58.01 1ih7 h LEU 880 Cb 0.47 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 1ih7 h LEU 880 CO 0.02 0.36 0.44 -0.08 -0.62 0.00 0.00 178.44 178.55 1ih7 h GLU 881 N 0.57 0.50 -0.51 1.25 4.22 -0.50 0.11 114.58 120.21 1ih7 h GLU 881 Ca 0.15 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.52 1ih7 h GLU 881 Cb -0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1ih7 h GLU 881 CO -0.03 0.33 0.14 0.78 -2.18 0.00 0.00 179.01 178.05 1ih7 h GLY 882 N 0.51 0.87 0.67 1.92 0.00 -0.74 -0.18 103.07 106.11 1ih7 h GLY 882 Ca 0.30 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ih7 h GLY 882 CO -0.09 0.49 -0.00 0.74 0.00 0.00 0.00 176.54 177.68 1ih7 h PHE 883 N 0.70 0.04 -0.21 5.60 0.04 -0.31 -2.94 116.94 119.86 1ih7 h PHE 883 Ca 0.16 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 1ih7 h PHE 883 Cb 0.30 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1ih7 h PHE 883 CO 0.02 0.37 -0.25 1.79 -0.60 0.00 0.00 178.31 179.63 1ih7 h THR 884 N -0.30 1.26 -0.52 -1.55 1.35 -0.95 -0.94 112.91 111.26 1ih7 h THR 884 Ca 0.00 -1.22 -0.12 0.00 -0.55 0.00 0.00 66.41 64.53 1ih7 h THR 884 Cb 0.36 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1ih7 h THR 884 CO 0.00 0.38 -0.16 0.77 -0.25 0.00 0.00 175.52 176.26 1ih7 h SER 885 N 0.34 1.04 -0.35 5.36 4.64 -1.08 0.18 113.55 123.68 1ih7 h SER 885 Ca 0.05 -0.37 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1ih7 h SER 885 Cb 0.63 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1ih7 h SER 885 CO 0.05 1.17 0.02 0.00 -0.87 0.00 0.00 176.83 177.20 1ih7 h ALA 886 N 0.91 0.48 -0.00 5.18 0.00 -1.30 -2.86 119.26 121.66 1ih7 h ALA 886 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ih7 h ALA 886 Cb 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ih7 h ALA 886 CO 0.06 0.21 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 1ih7 n ALA 887 N -2.37 2.68 -3.26 0.00 0.00 -0.38 -2.58 120.51 114.59 1ih7 n ALA 887 Ca -0.02 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1ih7 n ALA 887 Cb 0.25 -1.49 0.08 0.00 0.00 0.00 0.00 19.45 18.29 1ih7 n ALA 887 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ih7 n LYS 888 N -0.91 -5.86 -4.42 0.00 4.76 0.14 -4.36 118.16 107.51 1ih7 n LYS 888 Ca 0.23 0.74 -0.20 0.00 -2.87 0.00 0.00 58.31 56.21 1ih7 n LYS 888 Cb 0.13 -5.45 -0.10 0.00 -1.84 0.00 0.00 35.03 27.78 1ih7 n LYS 888 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ih7 s LEU 889 N -5.85 2.00 -0.12 -0.35 1.43 0.40 -5.03 118.68 111.17 1ih7 s LEU 889 Ca 0.03 -1.40 0.03 0.00 -1.03 0.00 0.00 54.13 51.76 1ih7 s LEU 889 Cb -0.01 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.97 1ih7 s LEU 889 CO 0.64 -0.67 -0.20 -1.81 0.23 0.00 0.00 176.35 174.54 1ih7 s ASP 890 N -3.44 2.82 0.00 2.29 1.01 -1.26 -4.41 116.67 113.68 1ih7 s ASP 890 Ca 0.36 -0.52 0.30 0.00 0.71 0.00 0.00 52.55 53.40 1ih7 s ASP 890 Cb 0.08 -1.29 1.50 0.00 1.01 0.00 0.00 42.92 44.22 1ih7 s ASP 890 CO 0.15 0.08 2.04 0.00 0.21 0.00 0.00 175.17 177.65 1ih7 n TYR 891 N 3.97 0.00 -4.19 4.23 0.18 -1.26 -4.61 117.16 115.48 1ih7 n TYR 891 Ca -0.20 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.37 1ih7 n TYR 891 Cb 0.52 -0.27 -0.17 0.00 -0.38 0.00 0.00 39.34 39.04 1ih7 n TYR 891 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1ih7 s GLU 892 N -2.56 1.01 0.18 -3.48 2.12 -1.26 -4.30 118.70 110.40 1ih7 s GLU 892 Ca 0.29 -0.15 -0.32 0.00 0.36 0.00 0.00 54.97 55.15 1ih7 s GLU 892 Cb 0.20 -0.99 -0.11 0.00 0.26 0.00 0.00 34.13 33.48 1ih7 s GLU 892 CO 0.46 -0.09 1.76 0.21 -0.54 0.00 0.00 175.26 177.06 1ih7 s LYS 893 N 1.01 4.13 0.60 4.30 2.20 -1.26 -4.96 119.74 125.76 1ih7 s LYS 893 Ca -0.09 2.60 -0.18 0.00 -0.36 0.00 0.00 55.97 57.94 1ih7 s LYS 893 Cb -0.14 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1ih7 s LYS 893 CO -0.00 -0.79 1.16 -1.59 -0.36 0.00 0.00 175.35 173.77 1ih7 s LYS 894 N 1.78 3.03 0.45 4.03 -2.85 -1.26 -4.94 119.74 119.98 1ih7 s LYS 894 Ca 0.77 1.64 -0.24 0.00 -1.00 0.00 0.00 55.97 57.15 1ih7 s LYS 894 Cb -0.48 -1.96 -0.09 0.00 -2.06 0.00 0.00 37.83 33.24 1ih7 s LYS 894 CO 0.34 -1.11 1.16 0.00 0.10 0.00 0.00 175.35 175.83 1ih7 n ALA 895 N -1.72 0.82 -2.56 0.59 0.00 -1.26 -5.00 120.51 111.37 1ih7 n ALA 895 Ca 0.12 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 1ih7 n ALA 895 Cb 0.51 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.66 1ih7 n ALA 895 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ih7 s SER 896 N -0.71 0.89 0.46 0.00 0.15 -1.26 -5.03 113.70 108.20 1ih7 s SER 896 Ca 0.64 -0.75 0.17 0.00 0.70 0.00 0.00 55.95 56.71 1ih7 s SER 896 Cb -0.51 0.07 1.08 0.00 -1.71 0.00 0.00 66.02 64.95 1ih7 s SER 896 CO 0.56 -0.34 2.00 -0.07 1.20 0.00 0.00 173.24 176.59 1ih7 h LEU 897 N 3.85 0.00 0.00 3.45 3.38 -2.06 -2.10 115.31 121.83 1ih7 h LEU 897 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ih7 h LEU 897 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ih7 h LEU 897 CO 0.51 0.18 0.00 0.49 0.09 0.00 0.00 178.44 179.71 1ih7 n PHE 898 N -4.19 0.00 -0.11 1.13 3.01 -1.26 -4.05 117.46 111.99 1ih7 n PHE 898 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.35 1ih7 n PHE 898 Cb 0.25 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.71 1ih7 n PHE 898 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ih7 h ASP 899 N 0.00 0.42 0.06 4.37 3.32 -1.79 -2.88 116.42 119.92 1ih7 h ASP 899 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ih7 h ASP 899 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1ih7 h ASP 899 CO 0.00 0.30 0.00 0.23 -1.72 0.00 0.00 179.24 178.05 1ih7 n MET 900 N -4.83 0.23 -3.70 3.56 2.81 -1.26 -4.75 117.12 109.18 1ih7 n MET 900 Ca -0.00 0.07 -0.31 0.00 -1.81 0.00 0.00 57.70 55.65 1ih7 n MET 900 Cb 0.02 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 30.99 1ih7 n MET 900 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1ih7 s PHE 901 N -2.20 3.48 -0.90 2.03 0.08 -1.09 -5.05 117.98 114.33 1ih7 s PHE 901 Ca 0.12 0.48 -0.07 0.00 0.12 0.00 0.00 56.93 57.59 1ih7 s PHE 901 Cb 0.06 -1.95 0.23 0.00 -0.57 0.00 0.00 43.02 40.79 1ih7 s PHE 901 CO 0.12 0.44 0.81 0.34 -0.10 0.00 0.00 175.22 176.83 1ih7 s ASP 902 N -2.56 6.40 0.00 1.36 2.15 -1.26 -5.10 116.67 117.66 1ih7 s ASP 902 Ca 0.40 -3.32 0.29 0.00 0.43 0.00 0.00 52.55 50.35 1ih7 s ASP 902 Cb -0.12 -2.05 1.22 0.00 -0.30 0.00 0.00 42.92 41.67 1ih7 s ASP 902 CO 0.26 -0.33 1.84 0.49 -0.17 0.00 0.00 175.17 177.26