#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7r n SER 2 N 0.00 1.19 -4.17 1.61 7.64 -1.26 -4.43 113.62 114.19 1i7r n SER 2 Ca 0.00 0.65 -0.11 0.00 1.01 0.00 0.00 58.87 60.43 1i7r n SER 2 Cb 0.00 -1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 61.59 1i7r n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1i7r s HIS 3 N -1.91 0.98 0.08 1.43 0.09 -0.64 -4.97 115.29 110.35 1i7r s HIS 3 Ca 0.76 -1.27 -0.13 0.00 -0.00 0.00 0.00 55.06 54.41 1i7r s HIS 3 Cb -0.32 -0.52 0.02 0.00 -0.00 0.00 0.00 32.58 31.76 1i7r s HIS 3 CO 0.48 -0.54 0.30 -1.54 -0.00 0.00 0.00 174.74 173.45 1i7r s SER 4 N -3.09 -0.09 -0.03 1.40 1.04 -1.26 -0.75 113.70 110.91 1i7r s SER 4 Ca 0.29 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.42 1i7r s SER 4 Cb 0.07 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1i7r s SER 4 CO 0.05 -0.72 -0.19 -0.32 0.98 0.00 0.00 173.24 173.04 1i7r s MET 5 N -3.32 1.82 -0.02 4.02 -2.45 -0.90 -0.66 119.30 117.79 1i7r s MET 5 Ca 0.00 -0.69 -0.06 0.00 -1.25 0.00 0.00 55.69 53.70 1i7r s MET 5 Cb 0.02 -1.64 0.01 0.00 1.25 0.00 0.00 34.83 34.46 1i7r s MET 5 CO -0.08 0.34 0.13 1.03 1.05 0.00 0.00 175.02 177.48 1i7r s ARG 6 N -0.20 0.31 -0.13 4.11 1.81 -0.32 -2.58 118.95 121.96 1i7r s ARG 6 Ca 0.01 -0.11 0.02 0.00 -1.72 0.00 0.00 55.73 53.93 1i7r s ARG 6 Cb -0.10 0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1i7r s ARG 6 CO 0.01 -0.06 -0.21 0.71 -0.68 0.00 0.00 175.30 175.07 1i7r s TYR 7 N -0.64 2.66 -0.14 -0.53 2.02 -0.48 -1.25 117.35 118.99 1i7r s TYR 7 Ca -0.07 -1.16 0.02 0.00 -0.37 0.00 0.00 57.07 55.49 1i7r s TYR 7 Cb -0.04 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 1i7r s TYR 7 CO 0.01 -0.51 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.20 1i7r s PHE 8 N 0.64 2.67 -0.06 2.71 0.08 0.31 -2.47 117.98 121.85 1i7r s PHE 8 Ca -0.11 -1.31 0.04 0.00 0.12 0.00 0.00 56.93 55.67 1i7r s PHE 8 Cb -0.16 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1i7r s PHE 8 CO 0.02 -0.59 -0.18 -0.06 -0.10 0.00 0.00 175.22 174.32 1i7r s PHE 9 N 0.78 1.85 -0.10 0.36 0.08 -0.19 -1.39 117.98 119.37 1i7r s PHE 9 Ca -0.08 -0.63 0.03 0.00 0.12 0.00 0.00 56.93 56.37 1i7r s PHE 9 Cb -0.16 -1.27 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 1i7r s PHE 9 CO -0.01 -0.25 -0.18 0.99 -0.10 0.00 0.00 175.22 175.67 1i7r s THR 10 N 0.26 1.68 -0.12 0.64 2.01 0.07 -1.52 115.64 118.67 1i7r s THR 10 Ca -0.10 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1i7r s THR 10 Cb -0.14 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1i7r s THR 10 CO 0.04 0.48 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.78 1i7r s SER 11 N 0.71 3.17 -0.10 3.53 0.01 -0.25 -1.06 113.70 119.71 1i7r s SER 11 Ca -0.12 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.58 1i7r s SER 11 Cb -0.16 -1.44 0.02 0.00 0.21 0.00 0.00 66.02 64.65 1i7r s SER 11 CO 0.03 0.13 -0.08 -0.69 0.41 0.00 0.00 173.24 173.04 1i7r s VAL 12 N 0.50 0.99 0.39 3.43 1.01 0.35 -1.55 120.40 125.52 1i7r s VAL 12 Ca -0.15 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 1i7r s VAL 12 Cb -0.17 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.11 1i7r s VAL 12 CO 0.05 0.36 0.98 -0.94 0.00 0.00 0.00 175.10 175.55 1i7r s SER 13 N 1.60 6.99 -0.50 3.32 1.04 -0.77 -1.03 113.70 124.35 1i7r s SER 13 Ca 0.03 1.83 0.05 0.00 0.48 0.00 0.00 55.95 58.33 1i7r s SER 13 Cb -0.13 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.60 1i7r s SER 13 CO -0.07 -0.32 0.41 -2.11 0.98 0.00 0.00 173.24 172.13 1i7r n ARG 14 N -0.14 0.75 -1.40 4.02 1.85 -1.26 -4.22 116.66 116.27 1i7r n ARG 14 Ca 0.05 -3.60 -0.52 0.00 -1.00 0.00 0.00 57.85 52.78 1i7r n ARG 14 Cb 0.52 -1.84 -0.08 0.00 -1.05 0.00 0.00 32.46 30.00 1i7r n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1i7r n PRO 15 N 2.45 0.78 -0.91 2.89 -0.02 -1.26 0.15 135.00 139.07 1i7r n PRO 15 Ca 0.27 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1i7r n PRO 15 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1i7r n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i7r n GLY 16 N 6.77 0.64 1.88 -1.23 0.00 -1.26 -4.89 105.19 107.09 1i7r n GLY 16 Ca 0.45 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 1i7r n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7r n ARG 17 N -2.70 3.38 0.00 1.61 5.12 0.12 -5.07 116.66 119.12 1i7r n ARG 17 Ca 0.00 -4.06 0.00 0.00 -1.93 0.00 0.00 57.85 51.86 1i7r n ARG 17 Cb 0.00 -2.21 0.00 0.00 -1.16 0.00 0.00 32.46 29.09 1i7r n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i7r n GLY 18 N -0.76 -0.29 3.50 -0.13 0.00 -1.26 -4.95 105.19 101.30 1i7r n GLY 18 Ca 0.42 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1i7r n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7r n GLU 19 N -0.37 -2.03 -1.68 1.61 -0.58 -1.26 -4.54 120.64 111.79 1i7r n GLU 19 Ca 0.00 -0.55 -0.35 0.00 -0.42 0.00 0.00 57.16 55.83 1i7r n GLU 19 Cb 0.00 -2.18 0.07 0.00 -0.57 0.00 0.00 31.44 28.76 1i7r n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1i7r s PRO 20 N -4.38 2.48 0.04 3.49 0.04 -1.26 -4.68 135.00 130.73 1i7r s PRO 20 Ca 0.67 1.87 -0.24 0.00 0.04 0.00 0.00 61.00 63.34 1i7r s PRO 20 Cb -0.24 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1i7r s PRO 20 CO 0.64 -1.60 0.74 0.50 0.04 0.00 0.00 177.00 177.33 1i7r s ARG 21 N -3.60 4.47 -0.08 4.56 6.06 -0.20 -4.89 118.95 125.27 1i7r s ARG 21 Ca 0.78 1.02 0.01 0.00 -2.50 0.00 0.00 55.73 55.03 1i7r s ARG 21 Cb -0.32 -3.36 0.02 0.00 0.06 0.00 0.00 34.95 31.35 1i7r s ARG 21 CO 0.40 0.29 -0.08 0.12 -2.50 0.00 0.00 175.30 173.53 1i7r s PHE 22 N -0.04 1.24 -0.10 5.12 2.19 -1.26 -0.49 117.98 124.64 1i7r s PHE 22 Ca 0.38 -0.51 0.03 0.00 0.33 0.00 0.00 56.93 57.16 1i7r s PHE 22 Cb -0.20 -1.02 0.01 0.00 -1.31 0.00 0.00 43.02 40.49 1i7r s PHE 22 CO 0.22 -0.35 -0.19 0.42 1.83 0.00 0.00 175.22 177.14 1i7r s ILE 23 N 1.24 1.74 -0.04 3.12 1.01 -0.22 -1.59 121.20 126.46 1i7r s ILE 23 Ca -0.04 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1i7r s ILE 23 Cb -0.14 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1i7r s ILE 23 CO -0.02 0.49 -0.23 0.00 0.00 0.00 0.00 174.94 175.17 1i7r s ALA 24 N 0.63 2.00 0.03 9.38 0.00 0.29 -0.75 121.76 133.33 1i7r s ALA 24 Ca -0.13 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1i7r s ALA 24 Cb -0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1i7r s ALA 24 CO 0.04 0.42 -0.06 0.14 0.00 0.00 0.00 175.76 176.30 1i7r s VAL 25 N -0.27 0.37 -0.02 0.00 -7.23 -0.49 -0.86 120.40 111.91 1i7r s VAL 25 Ca 0.01 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 1i7r s VAL 25 Cb -0.12 -0.45 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 1i7r s VAL 25 CO 0.02 -0.35 -0.15 -0.83 -0.31 0.00 0.00 175.10 173.47 1i7r s GLY 26 N -1.34 0.75 0.09 2.32 0.00 -1.04 -0.53 107.32 107.57 1i7r s GLY 26 Ca -0.10 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.02 1i7r s GLY 26 CO -0.00 -0.50 -0.12 -0.19 0.00 0.00 0.00 173.10 172.29 1i7r s TYR 27 N -0.28 1.13 -0.24 1.90 1.51 -0.38 -0.64 117.35 120.34 1i7r s TYR 27 Ca 0.04 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1i7r s TYR 27 Cb -0.07 -0.62 0.06 0.00 -0.11 0.00 0.00 41.96 41.22 1i7r s TYR 27 CO -0.00 0.03 -0.08 0.08 -1.11 0.00 0.00 175.55 174.47 1i7r s VAL 28 N -1.91 1.73 0.00 0.71 1.01 -0.51 -1.18 120.40 120.25 1i7r s VAL 28 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1i7r s VAL 28 Cb -0.06 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1i7r s VAL 28 CO 0.01 -0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.55 1i7r n ASP 29 N 4.60 0.00 -1.31 3.32 8.00 0.17 -1.28 116.55 130.05 1i7r n ASP 29 Ca -0.13 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.48 1i7r n ASP 29 Cb 0.44 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.85 1i7r n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i7r n ASP 30 N 6.23 3.92 -4.58 -2.24 8.00 -1.26 -4.91 116.55 121.71 1i7r n ASP 30 Ca 0.00 -2.02 -0.37 0.00 0.71 0.00 0.00 54.79 53.11 1i7r n ASP 30 Cb 0.00 -0.47 -0.11 0.00 -0.02 0.00 0.00 41.12 40.52 1i7r n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7r s THR 31 N -1.04 5.00 0.27 -3.53 2.01 -0.41 -5.07 115.64 112.88 1i7r s THR 31 Ca 0.47 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 1i7r s THR 31 Cb 0.25 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.33 1i7r s THR 31 CO 0.32 0.33 1.01 -1.58 -0.69 0.00 0.00 174.62 174.01 1i7r s GLN 32 N 1.31 4.70 0.00 4.92 0.74 -1.26 -1.42 119.66 128.65 1i7r s GLN 32 Ca 0.06 1.60 0.00 0.00 0.05 0.00 0.00 55.36 57.08 1i7r s GLN 32 Cb -0.15 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1i7r s GLN 32 CO 0.06 0.33 0.00 1.97 -0.55 0.00 0.00 175.29 177.10 1i7r n PHE 33 N 1.19 0.00 -3.90 1.67 -1.74 0.18 -4.19 117.46 110.68 1i7r n PHE 33 Ca -0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.79 1i7r n PHE 33 Cb 0.47 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.39 1i7r n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i7r s VAL 34 N -0.96 0.11 0.12 1.97 -7.23 -1.23 -0.79 120.40 112.40 1i7r s VAL 34 Ca 0.00 -1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 58.76 1i7r s VAL 34 Cb 0.00 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.42 1i7r s VAL 34 CO 0.00 -0.49 0.39 0.00 -0.31 0.00 0.00 175.10 174.69 1i7r s ARG 35 N -3.91 1.05 -0.07 4.82 1.70 -0.72 -2.49 118.95 119.33 1i7r s ARG 35 Ca 0.10 -0.69 -0.03 0.00 -0.47 0.00 0.00 55.73 54.64 1i7r s ARG 35 Cb 0.04 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.92 1i7r s ARG 35 CO -0.06 -0.40 0.16 0.12 -1.08 0.00 0.00 175.30 174.03 1i7r s PHE 36 N -3.70 -0.18 -0.10 5.89 5.36 -0.04 -1.13 117.98 124.07 1i7r s PHE 36 Ca 0.02 0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 56.51 1i7r s PHE 36 Cb 0.02 -0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 1i7r s PHE 36 CO -0.11 -0.18 -0.04 0.34 -1.46 0.00 0.00 175.22 173.77 1i7r s ASP 37 N 1.25 2.03 0.63 6.13 2.15 -1.26 -0.55 116.67 127.06 1i7r s ASP 37 Ca -0.08 -0.27 0.38 0.00 0.43 0.00 0.00 52.55 53.01 1i7r s ASP 37 Cb -0.11 -0.69 2.14 0.00 -0.30 0.00 0.00 42.92 43.95 1i7r s ASP 37 CO -0.06 -0.16 2.30 0.77 -0.17 0.00 0.00 175.17 177.85 1i7r h SER 38 N 8.23 0.00 1.04 -0.34 4.64 -1.69 -1.64 113.55 123.79 1i7r h SER 38 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1i7r h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i7r h SER 38 CO 0.35 0.00 -0.40 0.47 -0.87 0.00 0.00 176.83 176.38 1i7r n ASP 39 N -3.41 0.70 -4.82 4.97 8.00 -1.26 -4.93 116.55 115.79 1i7r n ASP 39 Ca -0.03 0.26 -0.30 0.00 0.71 0.00 0.00 54.79 55.43 1i7r n ASP 39 Cb 0.10 -0.16 0.08 0.00 -0.02 0.00 0.00 41.12 41.12 1i7r n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7r s ALA 40 N -3.13 2.38 0.06 2.24 0.00 -0.62 -5.00 121.76 117.69 1i7r s ALA 40 Ca 0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1i7r s ALA 40 Cb 0.13 -3.08 -0.29 0.00 0.00 0.00 0.00 23.12 19.88 1i7r s ALA 40 CO 0.67 -1.62 1.10 0.00 0.00 0.00 0.00 175.76 175.91 1i7r h ALA 41 N -1.01 -0.01 -0.46 0.00 0.00 -1.92 -3.35 119.26 112.51 1i7r h ALA 41 Ca -0.47 -0.80 0.05 0.00 0.00 0.00 0.00 54.91 53.69 1i7r h ALA 41 Cb 1.27 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1i7r h ALA 41 CO 0.60 0.73 0.20 0.66 0.00 0.00 0.00 179.25 181.45 1i7r h SER 42 N 0.22 0.25 -2.79 0.00 4.64 -1.94 -3.46 113.55 110.47 1i7r h SER 42 Ca -0.19 0.04 -0.23 0.00 -0.47 0.00 0.00 61.79 60.94 1i7r h SER 42 Cb 1.96 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 64.09 1i7r h SER 42 CO 0.24 0.18 -0.35 0.00 -0.87 0.00 0.00 176.83 176.03 1i7r n GLN 43 N -4.95 -2.85 -4.18 4.77 1.13 -1.26 -5.02 117.38 105.01 1i7r n GLN 43 Ca 0.04 0.52 -0.11 0.00 -1.94 0.00 0.00 57.00 55.51 1i7r n GLN 43 Cb 0.15 -4.58 -0.10 0.00 0.11 0.00 0.00 30.24 25.82 1i7r n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i7r s ARG 44 N -5.21 0.91 0.38 -1.09 0.52 -1.26 -5.05 118.95 108.16 1i7r s ARG 44 Ca 0.18 -1.40 -0.26 0.00 -0.52 0.00 0.00 55.73 53.72 1i7r s ARG 44 Cb -0.08 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.15 1i7r s ARG 44 CO 0.22 -0.08 1.18 1.41 0.02 0.00 0.00 175.30 178.05 1i7r s MET 45 N -3.89 4.17 0.03 3.54 -2.45 -1.26 -4.70 119.30 114.74 1i7r s MET 45 Ca 0.16 1.89 0.04 0.00 -1.25 0.00 0.00 55.69 56.54 1i7r s MET 45 Cb 0.06 -2.79 -0.02 0.00 1.25 0.00 0.00 34.83 33.33 1i7r s MET 45 CO -0.02 -0.23 -0.13 -1.21 1.05 0.00 0.00 175.02 174.48 1i7r s GLU 46 N -2.12 0.86 0.36 4.11 2.02 -0.28 -4.94 118.70 118.71 1i7r s GLU 46 Ca 0.54 -0.68 -0.27 0.00 0.02 0.00 0.00 54.97 54.58 1i7r s GLU 46 Cb -0.32 -0.84 -0.09 0.00 0.10 0.00 0.00 34.13 32.98 1i7r s GLU 46 CO 0.41 0.21 1.16 -1.25 0.02 0.00 0.00 175.26 175.81 1i7r s PRO 47 N -1.02 4.23 0.00 0.39 0.04 -1.26 -1.75 135.00 135.62 1i7r s PRO 47 Ca 0.01 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1i7r s PRO 47 Cb -0.07 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1i7r s PRO 47 CO 0.01 -0.17 0.45 0.54 0.04 0.00 0.00 177.00 177.87 1i7r n ARG 48 N 0.41 0.37 -3.90 4.56 5.12 0.03 -4.87 116.66 118.38 1i7r n ARG 48 Ca 0.03 -0.55 -0.11 0.00 -1.93 0.00 0.00 57.85 55.28 1i7r n ARG 48 Cb 0.46 -0.72 -0.12 0.00 -1.16 0.00 0.00 32.46 30.91 1i7r n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i7r s ALA 49 N -0.20 -0.04 0.45 7.54 0.00 -1.24 -4.74 121.76 123.52 1i7r s ALA 49 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 51.96 51.93 1i7r s ALA 49 Cb 0.00 0.03 1.01 0.00 0.00 0.00 0.00 23.12 24.16 1i7r s ALA 49 CO 0.00 -0.08 2.06 -1.35 0.00 0.00 0.00 175.76 176.39 1i7r h PRO 50 N 5.47 0.36 0.00 0.00 0.11 -1.95 -3.02 132.00 132.98 1i7r h PRO 50 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1i7r h PRO 50 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1i7r h PRO 50 CO 0.46 0.24 0.00 0.11 -0.21 0.00 0.00 178.00 178.60 1i7r h TRP 51 N 0.38 0.00 -0.00 0.65 5.08 -1.97 -2.88 115.95 117.21 1i7r h TRP 51 Ca 0.15 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.12 1i7r h TRP 51 Cb 0.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.29 1i7r h TRP 51 CO -0.00 0.00 -0.96 1.51 -1.28 0.00 0.00 178.44 177.71 1i7r n ILE 52 N -2.45 0.00 0.23 0.12 0.13 -1.14 -4.49 119.36 111.76 1i7r n ILE 52 Ca 0.03 -0.01 0.06 0.00 -1.10 0.00 0.00 62.75 61.73 1i7r n ILE 52 Cb 0.30 0.97 0.52 0.00 -0.84 0.00 0.00 39.64 40.60 1i7r n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i7r h GLU 53 N 0.07 0.00 -0.62 9.51 5.08 -1.59 -2.37 114.58 124.66 1i7r h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i7r h GLU 53 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1i7r h GLU 53 CO 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 1i7r n GLN 54 N -4.35 4.51 -2.07 2.33 10.64 -1.26 -4.88 117.38 122.30 1i7r n GLN 54 Ca -0.03 -2.86 -0.39 0.00 -1.83 0.00 0.00 57.00 51.90 1i7r n GLN 54 Cb 0.22 -2.19 0.00 0.00 -0.86 0.00 0.00 30.24 27.42 1i7r n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1i7r s GLU 55 N -2.56 3.82 0.55 2.61 0.41 -0.89 -4.99 118.70 117.64 1i7r s GLU 55 Ca 0.50 2.08 -0.09 0.00 -0.41 0.00 0.00 54.97 57.04 1i7r s GLU 55 Cb 0.38 -2.62 0.13 0.00 -1.78 0.00 0.00 34.13 30.24 1i7r s GLU 55 CO 0.15 -0.59 0.56 0.41 -0.49 0.00 0.00 175.26 175.29 1i7r n GLY 56 N 0.63 -2.21 0.24 -1.39 0.00 -1.26 -4.82 105.19 96.39 1i7r n GLY 56 Ca 0.05 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.62 1i7r n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i7r h PRO 57 N 0.00 0.00 -0.45 1.61 0.13 -1.98 -2.39 132.00 128.91 1i7r h PRO 57 Ca -0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1i7r h PRO 57 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1i7r h PRO 57 CO 0.13 0.13 -0.24 1.49 -0.23 0.00 0.00 178.00 179.29 1i7r h GLU 58 N 0.00 0.94 0.33 0.86 4.57 -1.99 -0.11 114.58 119.18 1i7r h GLU 58 Ca -0.00 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1i7r h GLU 58 Cb 0.25 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1i7r h GLU 58 CO 0.02 1.07 -0.16 -0.92 -1.18 0.00 0.00 179.01 177.83 1i7r h TYR 59 N 0.81 -0.41 -0.11 0.92 3.20 -1.78 -1.74 116.97 117.86 1i7r h TYR 59 Ca 0.10 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1i7r h TYR 59 Cb 0.80 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 1i7r h TYR 59 CO 0.05 -0.19 -0.07 -1.49 -1.64 0.00 0.00 178.16 174.82 1i7r h TRP 60 N -0.55 -0.17 -0.52 -3.82 4.06 -1.37 -0.61 115.95 112.96 1i7r h TRP 60 Ca -0.05 0.01 0.06 0.00 2.06 0.00 0.00 58.89 60.98 1i7r h TRP 60 Cb 0.41 0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.61 1i7r h TRP 60 CO -0.03 -0.11 0.22 -0.44 -3.56 0.00 0.00 178.44 174.52 1i7r h ASP 61 N -0.07 0.27 -0.54 -3.49 3.32 -1.04 -0.58 116.42 114.29 1i7r h ASP 61 Ca 0.07 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1i7r h ASP 61 Cb 0.17 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1i7r h ASP 61 CO -0.15 0.19 0.16 1.23 -1.72 0.00 0.00 179.24 178.94 1i7r h GLY 62 N 0.43 0.91 1.68 2.75 0.00 -0.88 -1.06 103.07 106.90 1i7r h GLY 62 Ca 0.25 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1i7r h GLY 62 CO -0.22 0.51 -0.24 0.83 0.00 0.00 0.00 176.54 177.43 1i7r h GLU 63 N 0.75 0.38 -0.23 4.80 4.39 -0.49 -1.56 114.58 122.62 1i7r h GLU 63 Ca 0.17 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1i7r h GLU 63 Cb 0.30 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1i7r h GLU 63 CO -0.00 0.60 -0.14 1.15 -1.16 0.00 0.00 179.01 179.46 1i7r h THR 64 N 0.34 1.31 -0.22 1.13 2.02 -0.92 -1.48 112.91 115.10 1i7r h THR 64 Ca 0.05 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1i7r h THR 64 Cb 0.61 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1i7r h THR 64 CO 0.04 0.38 0.13 0.08 0.37 0.00 0.00 175.52 176.52 1i7r h ARG 65 N 0.19 0.30 -0.38 6.66 0.11 -0.93 -2.11 114.38 118.22 1i7r h ARG 65 Ca 0.05 -0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.12 1i7r h ARG 65 Cb 0.65 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.64 1i7r h ARG 65 CO 0.04 0.25 0.21 0.87 0.10 0.00 0.00 179.97 181.45 1i7r h LYS 66 N 0.26 0.42 0.00 0.08 1.57 -1.28 -2.57 116.57 115.05 1i7r h LYS 66 Ca 0.08 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1i7r h LYS 66 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1i7r h LYS 66 CO -0.01 0.28 -0.41 -0.24 -0.57 0.00 0.00 179.45 178.50 1i7r h VAL 67 N 0.44 1.22 -0.45 0.50 3.04 -1.13 -1.93 116.25 117.94 1i7r h VAL 67 Ca 0.15 -1.43 -0.07 0.00 -1.01 0.00 0.00 66.70 64.34 1i7r h VAL 67 Cb 0.02 1.78 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 1i7r h VAL 67 CO -0.08 0.40 -0.00 0.11 -1.01 0.00 0.00 177.57 176.99 1i7r h LYS 68 N 0.00 0.79 -0.71 4.17 1.57 -1.22 -2.20 116.57 118.97 1i7r h LYS 68 Ca -0.00 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1i7r h LYS 68 Cb 0.75 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1i7r h LYS 68 CO 0.05 0.85 0.29 0.00 -0.57 0.00 0.00 179.45 180.08 1i7r h ALA 69 N 0.91 1.18 -0.44 3.86 0.00 -1.01 -2.24 119.26 121.52 1i7r h ALA 69 Ca 0.13 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1i7r h ALA 69 Cb 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1i7r h ALA 69 CO 0.02 0.60 -0.19 0.45 0.00 0.00 0.00 179.25 180.13 1i7r h HIS 70 N 1.02 0.97 0.35 0.00 3.86 -1.30 -2.61 115.15 117.44 1i7r h HIS 70 Ca 0.24 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1i7r h HIS 70 Cb 0.18 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1i7r h HIS 70 CO 0.02 0.97 -0.41 1.03 0.86 0.00 0.00 177.93 180.40 1i7r h SER 71 N 0.75 -1.14 -0.39 2.45 0.87 -0.94 -2.12 113.55 113.03 1i7r h SER 71 Ca 0.11 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1i7r h SER 71 Cb 0.72 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1i7r h SER 71 CO 0.06 -0.55 0.26 1.56 -0.53 0.00 0.00 176.83 177.63 1i7r h GLN 72 N -0.80 0.24 -0.32 2.24 1.08 -1.34 -0.75 115.11 115.46 1i7r h GLN 72 Ca -0.02 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 1i7r h GLN 72 Cb 0.73 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1i7r h GLN 72 CO -0.10 0.16 -0.26 1.15 -0.95 0.00 0.00 178.83 178.83 1i7r h THR 73 N 0.25 1.27 0.00 -0.54 2.02 -1.06 -2.53 112.91 112.32 1i7r h THR 73 Ca 0.17 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.94 1i7r h THR 73 Cb 0.36 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1i7r h THR 73 CO -0.03 0.44 -0.32 0.45 0.37 0.00 0.00 175.52 176.43 1i7r h HIS 74 N 0.56 0.00 -0.45 3.16 3.86 -0.51 -0.18 115.15 121.60 1i7r h HIS 74 Ca 0.08 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 1i7r h HIS 74 Cb 0.73 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1i7r h HIS 74 CO 0.03 0.32 -0.17 -0.09 0.86 0.00 0.00 177.93 178.87 1i7r h ARG 75 N 0.00 0.91 -0.15 2.45 2.43 -0.97 -2.32 114.38 116.74 1i7r h ARG 75 Ca -0.00 -0.38 -0.08 0.00 -0.81 0.00 0.00 59.98 58.70 1i7r h ARG 75 Cb 0.87 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1i7r h ARG 75 CO 0.04 1.04 -0.24 0.28 -1.51 0.00 0.00 179.97 179.58 1i7r h VAL 76 N 0.75 1.36 -1.00 0.20 2.07 -1.34 -3.20 116.25 115.09 1i7r h VAL 76 Ca 0.11 -1.48 0.16 0.00 0.82 0.00 0.00 66.70 66.31 1i7r h VAL 76 Cb 0.74 1.97 -0.10 0.00 -1.52 0.00 0.00 31.29 32.38 1i7r h VAL 76 CO 0.06 0.44 0.62 0.44 0.02 0.00 0.00 177.57 179.15 1i7r h ASP 77 N 0.03 0.83 -0.41 0.57 3.32 -0.94 -1.92 116.42 117.91 1i7r h ASP 77 Ca 0.01 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1i7r h ASP 77 Cb 0.82 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1i7r h ASP 77 CO 0.05 0.36 0.21 -0.07 -1.72 0.00 0.00 179.24 178.08 1i7r h LEU 78 N 0.85 0.55 -0.05 1.55 3.38 -1.41 -2.17 115.31 118.02 1i7r h LEU 78 Ca 0.54 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 1i7r h LEU 78 Cb 0.74 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1i7r h LEU 78 CO -0.32 0.48 -0.12 1.23 0.09 0.00 0.00 178.44 179.80 1i7r h GLY 79 N 0.74 0.18 0.10 0.83 0.00 -1.48 -2.87 103.07 100.56 1i7r h GLY 79 Ca 0.16 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.35 1i7r h GLY 79 CO -0.02 0.20 -0.17 -0.84 0.00 0.00 0.00 176.54 175.70 1i7r h THR 80 N -0.36 0.47 -0.40 4.70 2.02 -1.12 -1.29 112.91 116.92 1i7r h THR 80 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1i7r h THR 80 Cb 0.72 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1i7r h THR 80 CO 0.03 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.85 1i7r h LEU 81 N -0.11 0.61 -0.91 2.58 3.38 -1.49 -0.29 115.31 119.08 1i7r h LEU 81 Ca 0.18 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1i7r h LEU 81 Cb 0.39 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1i7r h LEU 81 CO -0.44 0.68 0.56 -0.09 0.09 0.00 0.00 178.44 179.24 1i7r h ARG 82 N 0.61 0.93 -0.12 1.13 2.43 -1.10 -0.41 114.38 117.85 1i7r h ARG 82 Ca 0.13 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1i7r h ARG 82 Cb 0.38 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1i7r h ARG 82 CO 0.01 0.61 -0.29 0.78 -1.51 0.00 0.00 179.97 179.58 1i7r h GLY 83 N 0.96 0.45 1.47 2.80 0.00 -0.21 -0.42 103.07 108.10 1i7r h GLY 83 Ca 0.43 -0.55 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1i7r h GLY 83 CO -0.22 0.49 0.22 -0.97 0.00 0.00 0.00 176.54 176.05 1i7r h TYR 84 N -0.01 0.13 -0.17 5.60 0.05 -0.56 -1.30 116.97 120.70 1i7r h TYR 84 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i7r h TYR 84 Cb 0.89 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1i7r h TYR 84 CO 0.11 0.07 0.00 0.66 -1.05 0.00 0.00 178.16 177.95 1i7r n TYR 85 N -4.47 0.21 -3.64 4.88 4.01 -0.21 -4.88 117.16 113.06 1i7r n TYR 85 Ca 0.04 -0.16 -0.28 0.00 -0.16 0.00 0.00 57.90 57.34 1i7r n TYR 85 Cb 0.30 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1i7r n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1i7r n ASN 86 N 0.91 -5.51 -4.84 7.72 3.02 -0.29 -4.98 115.26 111.29 1i7r n ASN 86 Ca 0.12 -0.93 -0.23 0.00 -0.03 0.00 0.00 54.58 53.51 1i7r n ASN 86 Cb 0.43 -3.34 -0.04 0.00 -0.61 0.00 0.00 39.78 36.22 1i7r n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i7r s GLN 87 N -5.61 3.00 0.87 3.52 -0.21 -0.51 -5.04 119.66 115.69 1i7r s GLN 87 Ca 0.38 -0.95 -0.12 0.00 0.02 0.00 0.00 55.36 54.69 1i7r s GLN 87 Cb -0.14 -2.64 0.11 0.00 1.00 0.00 0.00 33.01 31.34 1i7r s GLN 87 CO 0.86 0.43 1.12 -1.54 -2.12 0.00 0.00 175.29 174.04 1i7r s SER 88 N -3.63 3.84 0.00 5.90 1.04 -1.26 -4.85 113.70 114.74 1i7r s SER 88 Ca 0.33 1.13 0.22 0.00 0.48 0.00 0.00 55.95 58.10 1i7r s SER 88 Cb -0.09 -1.77 0.91 0.00 0.10 0.00 0.00 66.02 65.18 1i7r s SER 88 CO 0.25 -2.36 1.64 1.21 0.98 0.00 0.00 173.24 174.96 1i7r n GLU 89 N -3.66 1.56 0.02 4.02 4.07 -1.26 -3.92 120.64 121.47 1i7r n GLU 89 Ca 0.07 -0.84 0.11 0.00 -0.06 0.00 0.00 57.16 56.44 1i7r n GLU 89 Cb 0.58 -1.40 -0.08 0.00 -0.06 0.00 0.00 31.44 30.48 1i7r n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1i7r n ALA 90 N 0.05 3.28 -2.28 4.31 0.00 -1.26 -4.72 120.51 119.89 1i7r n ALA 90 Ca 0.17 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 1i7r n ALA 90 Cb 0.28 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 1i7r n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i7r s GLY 91 N -3.99 1.72 -0.15 0.00 0.00 -1.25 -4.82 107.32 98.83 1i7r s GLY 91 Ca -0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.15 1i7r s GLY 91 CO 0.86 -0.24 0.39 -0.45 0.00 0.00 0.00 173.10 173.66 1i7r s SER 92 N -3.59 6.54 0.25 1.64 0.15 -1.26 -4.67 113.70 112.76 1i7r s SER 92 Ca 0.48 0.64 0.11 0.00 0.70 0.00 0.00 55.95 57.88 1i7r s SER 92 Cb -0.10 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1i7r s SER 92 CO 0.37 0.02 -0.19 -1.00 1.20 0.00 0.00 173.24 173.63 1i7r s HIS 93 N 0.74 2.16 -0.09 3.44 3.76 -1.26 -4.97 115.29 119.07 1i7r s HIS 93 Ca 0.21 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1i7r s HIS 93 Cb -0.14 -0.96 0.01 0.00 1.11 0.00 0.00 32.58 32.60 1i7r s HIS 93 CO 0.07 0.62 -0.15 0.99 -0.85 0.00 0.00 174.74 175.42 1i7r s THR 94 N -2.52 1.41 -0.11 1.30 2.01 -1.26 -1.84 115.64 114.63 1i7r s THR 94 Ca 0.27 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1i7r s THR 94 Cb -0.04 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1i7r s THR 94 CO 0.13 0.42 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 1i7r s VAL 95 N 0.77 3.26 0.09 3.82 1.01 -0.60 -0.48 120.40 128.27 1i7r s VAL 95 Ca -0.12 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1i7r s VAL 95 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1i7r s VAL 95 CO 0.02 0.55 -0.22 -1.10 0.00 0.00 0.00 175.10 174.35 1i7r s GLN 96 N -0.07 1.25 -0.10 2.72 -0.21 -0.64 -1.09 119.66 121.51 1i7r s GLN 96 Ca -0.01 -1.14 -0.08 0.00 0.02 0.00 0.00 55.36 54.15 1i7r s GLN 96 Cb -0.14 -1.51 0.03 0.00 1.00 0.00 0.00 33.01 32.39 1i7r s GLN 96 CO 0.03 0.36 0.26 0.50 -2.12 0.00 0.00 175.29 174.32 1i7r s ARG 97 N -1.74 0.27 0.06 2.91 3.52 -0.58 -1.54 118.95 121.85 1i7r s ARG 97 Ca 0.08 0.43 0.03 0.00 -0.13 0.00 0.00 55.73 56.14 1i7r s ARG 97 Cb -0.10 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.31 1i7r s ARG 97 CO 0.04 -0.08 -0.09 1.41 -0.81 0.00 0.00 175.30 175.76 1i7r s MET 98 N 0.56 0.65 0.02 5.12 -2.45 -0.77 -1.02 119.30 121.41 1i7r s MET 98 Ca -0.04 -0.89 -0.19 0.00 -1.25 0.00 0.00 55.69 53.33 1i7r s MET 98 Cb -0.05 -0.42 0.04 0.00 1.25 0.00 0.00 34.83 35.65 1i7r s MET 98 CO -0.03 0.07 0.43 1.52 1.05 0.00 0.00 175.02 178.06 1i7r s TYR 99 N -1.65 -0.30 -0.02 4.11 -0.85 -1.03 -1.54 117.35 116.07 1i7r s TYR 99 Ca -0.05 0.34 -0.29 0.00 -0.52 0.00 0.00 57.07 56.55 1i7r s TYR 99 Cb -0.08 0.23 0.10 0.00 0.38 0.00 0.00 41.96 42.59 1i7r s TYR 99 CO 0.00 -0.55 1.29 0.20 -1.52 0.00 0.00 175.55 174.97 1i7r s GLY 100 N -1.80 -0.21 -0.02 5.49 0.00 -0.61 -1.39 107.32 108.78 1i7r s GLY 100 Ca -0.07 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 1i7r s GLY 100 CO 0.00 3.96 0.08 0.00 0.00 0.00 0.00 173.10 177.14 1i7r s ASP 102 N -0.25 4.40 0.16 0.00 1.01 0.22 -2.13 116.67 120.08 1i7r s ASP 102 Ca -0.03 -0.09 0.09 0.00 0.71 0.00 0.00 52.55 53.23 1i7r s ASP 102 Cb -0.02 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.83 1i7r s ASP 102 CO 0.00 0.35 -0.21 0.68 0.21 0.00 0.00 175.17 176.20 1i7r s VAL 103 N -0.79 1.97 0.00 -1.27 -7.23 0.07 -1.15 120.40 112.00 1i7r s VAL 103 Ca 0.12 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1i7r s VAL 103 Cb -0.11 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1i7r s VAL 103 CO 0.01 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 1i7r n GLY 104 N 0.51 0.20 0.24 2.32 0.00 -0.55 -1.63 105.19 106.28 1i7r n GLY 104 Ca -0.15 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.12 1i7r n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1i7r h SER 105 N 0.00 0.02 -0.02 1.61 0.02 -1.91 -0.72 113.55 112.55 1i7r h SER 105 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i7r h SER 105 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1i7r h SER 105 CO 0.00 0.14 0.00 -0.90 -1.14 0.00 0.00 176.83 174.93 1i7r n ASP 106 N -4.39 0.40 -1.33 3.07 5.68 -1.26 -4.55 116.55 114.16 1i7r n ASP 106 Ca -0.02 -1.32 -0.12 0.00 -0.50 0.00 0.00 54.79 52.82 1i7r n ASP 106 Cb 0.20 -0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 1i7r n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i7r n TRP 107 N -0.60 -0.50 -4.21 2.11 7.02 -0.28 -5.01 117.44 115.98 1i7r n TRP 107 Ca 0.18 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.31 1i7r n TRP 107 Cb 0.15 -2.68 -0.08 0.00 -2.42 0.00 0.00 31.31 26.28 1i7r n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i7r s ARG 108 N -4.38 3.18 0.01 -0.99 0.52 -1.26 -4.74 118.95 111.30 1i7r s ARG 108 Ca 0.00 -0.32 -0.36 0.00 -0.52 0.00 0.00 55.73 54.53 1i7r s ARG 108 Cb 0.00 -2.94 -0.18 0.00 0.52 0.00 0.00 34.95 32.35 1i7r s ARG 108 CO 0.00 0.70 0.96 0.34 0.02 0.00 0.00 175.30 177.31 1i7r n PHE 109 N 2.19 0.52 0.00 -0.53 7.35 -1.26 -1.48 117.46 124.25 1i7r n PHE 109 Ca -0.19 0.97 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 1i7r n PHE 109 Cb 0.54 -1.92 0.00 0.00 0.35 0.00 0.00 39.48 38.45 1i7r n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i7r n LEU 110 N 1.42 1.84 -3.50 -2.13 7.94 -0.30 -4.80 117.00 117.47 1i7r n LEU 110 Ca 0.18 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.96 1i7r n LEU 110 Cb 0.08 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.00 1i7r n LEU 110 CO 0.56 0.28 0.56 -0.60 -1.11 0.00 0.00 177.39 177.08 1i7r s ARG 111 N -1.88 0.97 0.04 1.96 3.52 -1.09 -4.99 118.95 117.48 1i7r s ARG 111 Ca 0.00 -0.10 0.05 0.00 -0.13 0.00 0.00 55.73 55.55 1i7r s ARG 111 Cb 0.00 0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 1i7r s ARG 111 CO 0.00 -0.37 -0.15 0.20 -0.81 0.00 0.00 175.30 174.17 1i7r s GLY 112 N -1.93 0.82 0.04 8.12 0.00 -1.26 -0.61 107.32 112.51 1i7r s GLY 112 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.88 1i7r s GLY 112 CO -0.03 -0.83 -0.10 -0.19 0.00 0.00 0.00 173.10 171.95 1i7r s TYR 113 N -0.86 0.88 -0.30 1.90 1.51 0.47 -4.85 117.35 116.09 1i7r s TYR 113 Ca 0.02 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.60 1i7r s TYR 113 Cb -0.08 -0.52 0.18 0.00 -0.11 0.00 0.00 41.96 41.43 1i7r s TYR 113 CO 0.01 -0.02 0.83 -1.58 -1.11 0.00 0.00 175.55 173.69 1i7r s HIS 114 N -1.05 -1.04 0.15 2.71 2.46 -1.26 -1.57 115.29 115.69 1i7r s HIS 114 Ca -0.04 1.26 -0.16 0.00 0.47 0.00 0.00 55.06 56.59 1i7r s HIS 114 Cb -0.08 0.42 0.03 0.00 -0.13 0.00 0.00 32.58 32.82 1i7r s HIS 114 CO 0.01 -0.56 0.44 1.14 -2.47 0.00 0.00 174.74 173.30 1i7r s GLN 115 N 2.83 1.17 0.14 2.88 -2.07 -0.59 -1.27 119.66 122.75 1i7r s GLN 115 Ca 0.07 -0.77 0.07 0.00 -1.82 0.00 0.00 55.36 52.91 1i7r s GLN 115 Cb -0.12 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1i7r s GLN 115 CO -0.17 -0.47 -0.16 0.71 -1.32 0.00 0.00 175.29 173.88 1i7r s TYR 116 N -3.83 1.58 0.03 9.60 2.02 0.53 -1.84 117.35 125.44 1i7r s TYR 116 Ca 0.05 -0.51 0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1i7r s TYR 116 Cb 0.01 -0.81 -0.02 0.00 -0.40 0.00 0.00 41.96 40.74 1i7r s TYR 116 CO -0.09 0.22 -0.09 0.00 -1.57 0.00 0.00 175.55 174.02 1i7r s ALA 117 N -2.05 0.69 -0.14 3.71 0.00 -0.59 -1.50 121.76 121.88 1i7r s ALA 117 Ca 0.11 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1i7r s ALA 117 Cb -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1i7r s ALA 117 CO 0.04 0.07 -0.16 -0.47 0.00 0.00 0.00 175.76 175.24 1i7r s TYR 118 N -0.94 2.26 -1.50 0.00 5.04 -0.34 -1.62 117.35 120.24 1i7r s TYR 118 Ca -0.04 -1.22 -0.09 0.00 -2.44 0.00 0.00 57.07 53.28 1i7r s TYR 118 Cb -0.08 -1.62 0.07 0.00 0.35 0.00 0.00 41.96 40.68 1i7r s TYR 118 CO 0.01 -0.63 0.73 -0.25 -1.34 0.00 0.00 175.55 174.06 1i7r n ASP 119 N 4.52 -2.54 0.00 4.32 8.00 0.37 -1.95 116.55 129.28 1i7r n ASP 119 Ca -0.18 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1i7r n ASP 119 Cb 0.50 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 1i7r n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7r n GLY 120 N -1.68 1.24 3.35 0.44 0.00 -1.26 -5.03 105.19 102.25 1i7r n GLY 120 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1i7r n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i7r s LYS 121 N -0.22 1.49 0.07 1.61 -2.85 -0.82 -5.08 119.74 113.93 1i7r s LYS 121 Ca 0.00 -1.21 -0.37 0.00 -1.00 0.00 0.00 55.97 53.38 1i7r s LYS 121 Cb 0.00 -1.82 -0.17 0.00 -2.06 0.00 0.00 37.83 33.78 1i7r s LYS 121 CO 0.00 0.45 1.29 -0.25 0.10 0.00 0.00 175.35 176.94 1i7r n ASP 122 N 1.29 1.38 -0.00 0.03 8.00 -1.26 -1.20 116.55 124.79 1i7r n ASP 122 Ca -0.18 1.13 -0.02 0.00 0.71 0.00 0.00 54.79 56.43 1i7r n ASP 122 Cb 0.53 -1.15 -0.01 0.00 -0.02 0.00 0.00 41.12 40.47 1i7r n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7r n TYR 123 N 2.34 0.00 -3.86 1.24 9.36 -0.56 -4.72 117.16 120.95 1i7r n TYR 123 Ca 0.19 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.29 1i7r n TYR 123 Cb 0.17 -0.11 -0.12 0.00 -0.63 0.00 0.00 39.34 38.66 1i7r n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i7r s ILE 124 N -1.83 0.04 -0.02 2.97 2.07 -1.18 -1.18 121.20 122.07 1i7r s ILE 124 Ca -0.07 -0.33 -0.02 0.00 -1.41 0.00 0.00 60.65 58.82 1i7r s ILE 124 Cb 0.01 -0.27 0.01 0.00 0.13 0.00 0.00 42.46 42.34 1i7r s ILE 124 CO 0.10 -0.18 0.06 0.00 -1.91 0.00 0.00 174.94 173.00 1i7r s ALA 125 N -0.59 -0.13 0.21 1.50 0.00 -0.87 -0.35 121.76 121.54 1i7r s ALA 125 Ca -0.07 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 1i7r s ALA 125 Cb -0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 1i7r s ALA 125 CO 0.00 -0.04 1.16 -1.17 0.00 0.00 0.00 175.76 175.72 1i7r s LEU 126 N 0.14 4.48 0.77 0.00 2.96 -0.40 -0.66 118.68 125.97 1i7r s LEU 126 Ca -0.01 2.24 -0.10 0.00 -0.22 0.00 0.00 54.13 56.04 1i7r s LEU 126 Cb -0.02 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.13 1i7r s LEU 126 CO -0.00 -0.29 1.12 -0.54 -1.32 0.00 0.00 176.35 175.31 1i7r s LYS 127 N -0.63 2.06 0.57 1.98 1.02 0.78 -4.71 119.74 120.80 1i7r s LYS 127 Ca 0.50 -0.01 0.26 0.00 0.02 0.00 0.00 55.97 56.74 1i7r s LYS 127 Cb -0.32 -2.03 1.66 0.00 -0.52 0.00 0.00 37.83 36.62 1i7r s LYS 127 CO 0.38 -1.47 2.22 1.49 -0.92 0.00 0.00 175.35 177.06 1i7r h GLU 128 N -0.90 0.00 0.00 1.68 4.81 -1.88 -1.48 114.58 116.81 1i7r h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1i7r h GLU 128 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1i7r h GLU 128 CO 0.64 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1i7r n ASP 129 N -4.03 0.73 -1.22 1.04 5.68 -1.26 -4.86 116.55 112.63 1i7r n ASP 129 Ca -0.03 0.64 -0.15 0.00 -0.50 0.00 0.00 54.79 54.76 1i7r n ASP 129 Cb 0.09 -0.81 -0.06 0.00 -1.14 0.00 0.00 41.12 39.20 1i7r n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i7r n LEU 130 N -2.27 -1.17 0.00 -2.12 4.77 -0.56 -4.77 117.00 110.89 1i7r n LEU 130 Ca 0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1i7r n LEU 130 Cb 0.29 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.19 1i7r n LEU 130 CO 0.23 -0.69 -0.40 0.54 -1.33 0.00 0.00 177.39 175.74 1i7r n ARG 131 N -2.55 1.40 -4.40 3.23 1.74 -1.26 -4.61 116.66 110.21 1i7r n ARG 131 Ca -0.15 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.68 1i7r n ARG 131 Cb 0.51 -0.90 -0.09 0.00 -1.02 0.00 0.00 32.46 30.96 1i7r n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1i7r s SER 132 N -1.70 4.01 0.08 0.55 0.01 -1.26 -4.94 113.70 110.45 1i7r s SER 132 Ca 0.00 -0.98 0.09 0.00 1.31 0.00 0.00 55.95 56.37 1i7r s SER 132 Cb 0.00 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 1i7r s SER 132 CO 0.00 -0.12 -0.25 0.26 0.41 0.00 0.00 173.24 173.55 1i7r s TRP 133 N -2.50 2.13 -0.31 2.43 0.52 -1.26 -0.16 118.94 119.79 1i7r s TRP 133 Ca 0.33 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.98 1i7r s TRP 133 Cb -0.02 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1i7r s TRP 133 CO 0.18 0.20 0.09 0.99 0.02 0.00 0.00 176.95 178.43 1i7r s THR 134 N -0.94 3.87 -0.20 2.01 2.01 0.16 -4.91 115.64 117.63 1i7r s THR 134 Ca 0.11 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 1i7r s THR 134 Cb -0.10 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1i7r s THR 134 CO 0.04 -0.03 0.09 0.00 -0.69 0.00 0.00 174.62 174.02 1i7r s ALA 135 N 1.45 3.42 0.25 7.40 0.00 -1.26 -2.06 121.76 130.97 1i7r s ALA 135 Ca 0.01 -0.83 0.11 0.00 0.00 0.00 0.00 51.96 51.24 1i7r s ALA 135 Cb -0.18 -2.04 0.33 0.00 0.00 0.00 0.00 23.12 21.23 1i7r s ALA 135 CO 0.02 0.00 1.59 0.00 0.00 0.00 0.00 175.76 177.38 1i7r h ALA 136 N 7.09 0.93 -2.09 0.00 0.00 -1.44 -3.47 119.26 120.28 1i7r h ALA 136 Ca -0.37 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1i7r h ALA 136 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1i7r h ALA 136 CO 0.68 0.79 0.00 -0.40 0.00 0.00 0.00 179.25 180.32 1i7r n ASP 137 N -3.75 0.00 -0.13 0.00 5.68 -1.26 -5.01 116.55 112.08 1i7r n ASP 137 Ca -0.01 -0.97 -0.07 0.00 -0.50 0.00 0.00 54.79 53.24 1i7r n ASP 137 Cb 0.64 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.63 1i7r n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1i7r h MET 138 N 0.00 0.48 -0.76 0.11 2.86 -2.00 -0.53 114.93 115.09 1i7r h MET 138 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1i7r h MET 138 Cb 0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1i7r h MET 138 CO 0.00 0.31 0.48 0.00 1.06 0.00 0.00 176.91 178.76 1i7r h ALA 139 N 1.19 0.97 0.00 6.32 0.00 -1.97 -2.32 119.26 123.44 1i7r h ALA 139 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1i7r h ALA 139 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1i7r h ALA 139 CO -0.08 0.41 -0.04 0.00 0.00 0.00 0.00 179.25 179.55 1i7r h ALA 140 N 1.26 1.00 -0.08 0.00 0.00 -1.66 -2.60 119.26 117.18 1i7r h ALA 140 Ca 0.28 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1i7r h ALA 140 Cb -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1i7r h ALA 140 CO -0.06 0.05 -0.37 1.96 0.00 0.00 0.00 179.25 180.84 1i7r h GLN 141 N 0.00 0.17 -0.42 0.00 4.20 -0.54 -1.69 115.11 116.83 1i7r h GLN 141 Ca -0.00 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1i7r h GLN 141 Cb 0.61 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1i7r h GLN 141 CO 0.01 0.52 0.00 1.15 -0.67 0.00 0.00 178.83 179.83 1i7r h THR 142 N 0.15 1.26 -0.51 -0.54 2.02 -1.43 -1.22 112.91 112.63 1i7r h THR 142 Ca 0.02 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 1i7r h THR 142 Cb 0.72 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1i7r h THR 142 CO 0.05 0.35 0.22 0.74 0.37 0.00 0.00 175.52 177.25 1i7r h THR 143 N 0.57 1.21 -0.47 3.16 2.02 -1.51 -2.38 112.91 115.51 1i7r h THR 143 Ca 0.12 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1i7r h THR 143 Cb 0.48 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1i7r h THR 143 CO 0.02 0.24 0.31 0.50 0.37 0.00 0.00 175.52 176.96 1i7r h LYS 144 N 0.68 0.62 -0.47 6.66 3.64 -0.96 -0.36 116.57 126.39 1i7r h LYS 144 Ca 0.17 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1i7r h LYS 144 Cb 0.17 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1i7r h LYS 144 CO -0.02 0.42 0.17 0.45 -2.27 0.00 0.00 179.45 178.20 1i7r h HIS 145 N 0.63 0.73 -0.11 1.91 3.86 -1.19 -0.20 115.15 120.79 1i7r h HIS 145 Ca 0.17 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1i7r h HIS 145 Cb -0.06 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 1i7r h HIS 145 CO -0.04 0.63 -0.10 0.87 0.86 0.00 0.00 177.93 180.16 1i7r h LYS 146 N 0.61 -0.11 0.00 2.45 1.57 -0.93 -2.12 116.57 118.03 1i7r h LYS 146 Ca 0.15 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1i7r h LYS 146 Cb 0.23 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1i7r h LYS 146 CO -0.01 -0.07 -0.27 -1.49 -0.57 0.00 0.00 179.45 177.03 1i7r h TRP 147 N -0.12 0.00 -0.22 -1.35 4.06 -0.83 -2.59 115.95 114.91 1i7r h TRP 147 Ca 0.07 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.91 1i7r h TRP 147 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1i7r h TRP 147 CO -0.21 0.27 -0.32 0.93 -3.56 0.00 0.00 178.44 175.55 1i7r h GLU 148 N 0.00 0.60 -0.14 0.49 5.08 -0.79 -0.52 114.58 119.30 1i7r h GLU 148 Ca -0.00 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 1i7r h GLU 148 Cb 0.52 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1i7r h GLU 148 CO 0.04 0.96 -0.28 0.00 -1.00 0.00 0.00 179.01 178.73 1i7r h ALA 149 N 0.63 1.28 -0.14 3.43 0.00 -1.10 -2.31 119.26 121.05 1i7r h ALA 149 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1i7r h ALA 149 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1i7r h ALA 149 CO 0.07 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1i7r n ALA 150 N -2.48 2.53 -3.77 0.00 0.00 -1.00 -4.96 120.51 110.82 1i7r n ALA 150 Ca -0.01 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 1i7r n ALA 150 Cb 0.38 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1i7r n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i7r n HIS 151 N 0.40 -1.83 0.05 0.00 -0.00 -0.87 -4.89 115.22 108.08 1i7r n HIS 151 Ca 0.17 0.73 -0.10 0.00 -0.00 0.00 0.00 57.72 58.51 1i7r n HIS 151 Cb 0.36 -3.95 0.02 0.00 -0.00 0.00 0.00 29.99 26.42 1i7r n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i7r h VAL 152 N -1.84 1.38 -0.72 1.59 2.07 -1.38 -3.27 116.25 114.08 1i7r h VAL 152 Ca -0.63 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 64.70 1i7r h VAL 152 Cb 1.36 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 1i7r h VAL 152 CO 0.56 0.65 0.37 0.00 0.02 0.00 0.00 177.57 179.18 1i7r h ALA 153 N 0.91 1.30 -0.78 1.67 0.00 -1.90 -1.63 119.26 118.83 1i7r h ALA 153 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1i7r h ALA 153 Cb 1.33 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1i7r h ALA 153 CO 0.13 0.56 0.42 0.93 0.00 0.00 0.00 179.25 181.29 1i7r h GLU 154 N 1.01 1.08 -0.51 0.00 3.07 -1.81 -1.37 114.58 116.06 1i7r h GLU 154 Ca 0.25 -0.13 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 1i7r h GLU 154 Cb 0.06 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 1i7r h GLU 154 CO -0.04 0.81 -0.11 0.37 -1.40 0.00 0.00 179.01 178.63 1i7r h GLN 155 N 1.08 0.98 -0.45 2.33 4.15 -1.44 -3.02 115.11 118.74 1i7r h GLN 155 Ca 0.27 -0.37 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 1i7r h GLN 155 Cb 0.04 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1i7r h GLN 155 CO -0.04 1.04 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.81 1i7r h LEU 156 N 0.84 0.79 -0.72 -2.39 3.38 -1.03 -3.11 115.31 113.06 1i7r h LEU 156 Ca 0.13 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.85 1i7r h LEU 156 Cb 0.68 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1i7r h LEU 156 CO 0.05 0.92 0.41 -0.09 0.09 0.00 0.00 178.44 179.82 1i7r h ARG 157 N 0.64 0.72 -0.54 1.13 2.43 -1.21 -0.88 114.38 116.68 1i7r h ARG 157 Ca 0.12 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1i7r h ARG 157 Cb 0.53 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1i7r h ARG 157 CO 0.03 0.48 0.27 0.00 -1.51 0.00 0.00 179.97 179.24 1i7r h ALA 158 N 1.37 1.48 -0.06 2.80 0.00 -1.46 -1.84 119.26 121.55 1i7r h ALA 158 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1i7r h ALA 158 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i7r h ALA 158 CO -0.19 0.43 -0.09 -0.92 0.00 0.00 0.00 179.25 178.47 1i7r h TYR 159 N 0.75 0.20 -0.44 0.00 3.20 -1.32 -1.89 116.97 117.47 1i7r h TYR 159 Ca 0.19 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 1i7r h TYR 159 Cb 0.05 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1i7r h TYR 159 CO 0.01 0.66 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.89 1i7r h LEU 160 N -0.32 0.93 0.00 2.82 3.38 -1.05 0.16 115.31 121.22 1i7r h LEU 160 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1i7r h LEU 160 Cb 0.65 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1i7r h LEU 160 CO 0.02 1.11 -0.68 -0.62 0.09 0.00 0.00 178.44 178.37 1i7r n GLU 161 N -4.11 0.15 0.00 1.13 1.02 -0.70 -4.26 120.64 113.87 1i7r n GLU 161 Ca -0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1i7r n GLU 161 Cb 0.46 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1i7r n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i7r n GLY 162 N 1.42 0.52 0.31 0.62 0.00 -0.71 -4.75 105.19 102.60 1i7r n GLY 162 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1i7r n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i7r h THR 163 N 0.00 0.19 -0.35 2.61 2.02 -1.59 -1.49 112.91 114.30 1i7r h THR 163 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1i7r h THR 163 Cb 0.00 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.54 1i7r h THR 163 CO 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 1i7r h VAL 165 N 0.05 1.26 -0.33 0.00 2.07 -1.56 -1.70 116.25 116.04 1i7r h VAL 165 Ca 0.17 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1i7r h VAL 165 Cb 0.25 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1i7r h VAL 165 CO -0.32 0.42 0.07 -0.33 0.02 0.00 0.00 177.57 177.44 1i7r h GLU 166 N 0.80 0.53 -0.01 1.57 5.08 -0.94 -1.98 114.58 119.63 1i7r h GLU 166 Ca 0.13 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1i7r h GLU 166 Cb 0.62 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1i7r h GLU 166 CO 0.04 0.60 -0.64 -1.49 -1.00 0.00 0.00 179.01 176.52 1i7r h TRP 167 N 0.37 0.08 -0.12 4.33 4.06 -1.32 -1.98 115.95 121.37 1i7r h TRP 167 Ca 0.10 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1i7r h TRP 167 Cb 0.31 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1i7r h TRP 167 CO 0.02 0.68 0.07 1.25 -3.56 0.00 0.00 178.44 176.90 1i7r h LEU 168 N 0.04 0.14 -0.68 -4.49 5.85 -1.16 0.16 115.31 115.16 1i7r h LEU 168 Ca -0.01 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1i7r h LEU 168 Cb 1.13 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1i7r h LEU 168 CO 0.09 0.12 0.38 0.03 -0.34 0.00 0.00 178.44 178.72 1i7r h ARG 169 N 0.14 0.95 -0.72 1.25 3.08 -1.29 0.60 114.38 118.38 1i7r h ARG 169 Ca 0.04 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1i7r h ARG 169 Cb 0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1i7r h ARG 169 CO -0.01 0.71 0.45 -0.09 -1.07 0.00 0.00 179.97 179.96 1i7r h ARG 170 N 0.93 0.96 -0.52 0.04 2.43 -0.88 -1.01 114.38 116.32 1i7r h ARG 170 Ca 0.24 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1i7r h ARG 170 Cb 0.03 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1i7r h ARG 170 CO -0.04 0.66 0.11 1.88 -1.51 0.00 0.00 179.97 181.07 1i7r h TYR 171 N 0.97 0.90 -0.53 2.20 0.05 -0.51 -1.04 116.97 119.02 1i7r h TYR 171 Ca 0.26 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.96 1i7r h TYR 171 Cb -0.07 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.38 1i7r h TYR 171 CO -0.02 0.80 0.29 -0.07 -1.05 0.00 0.00 178.16 178.11 1i7r h LEU 172 N 0.74 0.45 0.25 3.88 3.38 -0.32 0.75 115.31 124.45 1i7r h LEU 172 Ca 0.16 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1i7r h LEU 172 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1i7r h LEU 172 CO 0.01 0.31 -0.12 -0.08 0.09 0.00 0.00 178.44 178.65 1i7r h GLU 173 N 0.58 -0.33 -0.61 1.13 4.57 -1.08 -2.51 114.58 116.33 1i7r h GLU 173 Ca 0.22 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1i7r h GLU 173 Cb 0.08 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1i7r h GLU 173 CO -0.13 -0.00 0.25 -0.91 -1.18 0.00 0.00 179.01 177.05 1i7r h ASN 174 N -0.69 0.80 -0.84 1.04 -0.26 -0.92 -2.51 115.58 112.20 1i7r h ASN 174 Ca -0.03 -0.10 -0.34 0.00 -0.56 0.00 0.00 56.30 55.27 1i7r h ASN 174 Cb 0.48 -0.20 -0.20 0.00 -1.06 0.00 0.00 38.32 37.33 1i7r h ASN 174 CO 0.06 0.71 0.42 0.61 -1.06 0.00 0.00 177.43 178.16 1i7r n GLY 175 N -1.06 4.02 0.28 2.83 0.00 0.23 -4.80 105.19 106.69 1i7r n GLY 175 Ca 0.05 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 45.09 1i7r n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1i7r h LYS 176 N 1.99 0.15 -0.49 1.61 3.64 -0.98 0.29 116.57 122.78 1i7r h LYS 176 Ca 0.42 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.88 1i7r h LYS 176 Cb 2.55 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 34.24 1i7r h LYS 176 CO 0.88 0.10 -0.14 0.93 -2.27 0.00 0.00 179.45 178.96 1i7r h GLU 177 N 0.16 -0.02 0.11 1.90 5.08 -1.87 0.21 114.58 120.14 1i7r h GLU 177 Ca 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1i7r h GLU 177 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1i7r h GLU 177 CO -0.62 -0.01 -0.05 1.15 -1.00 0.00 0.00 179.01 178.47 1i7r h THR 178 N -0.02 0.49 0.00 1.13 2.02 -1.65 -3.35 112.91 111.53 1i7r h THR 178 Ca 0.23 -1.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 1i7r h THR 178 Cb 0.38 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1i7r h THR 178 CO -0.51 0.15 -0.59 -0.07 0.37 0.00 0.00 175.52 174.86 1i7r h LEU 179 N -1.00 0.00 -3.60 2.58 3.38 -0.46 -2.95 115.31 113.27 1i7r h LEU 179 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1i7r h LEU 179 Cb 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1i7r h LEU 179 CO 0.02 0.59 0.09 0.00 0.09 0.00 0.00 178.44 179.24 1i7r n GLN 180 N -3.67 4.30 -3.13 1.13 6.02 0.72 -4.95 117.38 117.80 1i7r n GLN 180 Ca -0.01 -3.12 -0.35 0.00 -0.01 0.00 0.00 57.00 53.51 1i7r n GLN 180 Cb 0.63 -2.21 -0.06 0.00 1.02 0.00 0.00 30.24 29.62 1i7r n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1i7r s ARG 181 N -2.86 4.17 -0.21 -1.09 1.70 -1.12 -4.98 118.95 114.56 1i7r s ARG 181 Ca 0.54 0.80 0.01 0.00 -0.47 0.00 0.00 55.73 56.60 1i7r s ARG 181 Cb 0.42 -2.78 0.05 0.00 -0.57 0.00 0.00 34.95 32.06 1i7r s ARG 181 CO 0.14 0.35 -0.10 0.99 -1.08 0.00 0.00 175.30 175.60 1i7r s THR 182 N -1.62 1.70 -0.29 4.99 2.01 -1.26 -4.65 115.64 116.52 1i7r s THR 182 Ca 0.45 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 1i7r s THR 182 Cb -0.15 -1.80 0.04 0.00 0.01 0.00 0.00 72.50 70.60 1i7r s THR 182 CO 0.20 0.12 0.00 -1.81 -0.69 0.00 0.00 174.62 172.44 1i7r s ASP 183 N 1.36 4.79 0.39 3.53 1.01 -0.03 -4.91 116.67 122.81 1i7r s ASP 183 Ca -0.03 -1.05 -0.27 0.00 0.71 0.00 0.00 52.55 51.92 1i7r s ASP 183 Cb -0.17 -1.74 -0.09 0.00 1.01 0.00 0.00 42.92 41.93 1i7r s ASP 183 CO -0.08 -0.22 1.30 0.00 0.21 0.00 0.00 175.17 176.38 1i7r s ALA 184 N 1.33 3.31 0.35 5.23 0.00 -1.26 -1.73 121.76 128.99 1i7r s ALA 184 Ca -0.02 1.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 1i7r s ALA 184 Cb -0.18 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 1i7r s ALA 184 CO -0.01 -0.77 1.30 -1.25 0.00 0.00 0.00 175.76 175.03 1i7r s PRO 185 N -2.15 4.27 -0.25 0.00 0.04 -1.26 -4.59 135.00 131.06 1i7r s PRO 185 Ca 0.55 2.20 -0.21 0.00 0.04 0.00 0.00 61.00 63.58 1i7r s PRO 185 Cb -0.38 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 1i7r s PRO 185 CO 0.49 -0.26 0.64 0.15 0.04 0.00 0.00 177.00 178.07 1i7r s LYS 186 N -1.90 4.12 0.29 4.56 -0.14 -0.37 -4.82 119.74 121.47 1i7r s LYS 186 Ca 0.51 0.57 0.09 0.00 -1.36 0.00 0.00 55.97 55.77 1i7r s LYS 186 Cb -0.39 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.07 1i7r s LYS 186 CO 0.52 -0.41 0.08 0.95 -0.76 0.00 0.00 175.35 175.72 1i7r s THR 187 N 2.51 3.50 -0.26 2.17 -4.23 -1.26 -0.78 115.64 117.30 1i7r s THR 187 Ca 0.27 -1.75 -0.38 0.00 -1.18 0.00 0.00 61.69 58.65 1i7r s THR 187 Cb -0.15 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.85 1i7r s THR 187 CO 0.08 -0.31 1.36 -1.38 -0.54 0.00 0.00 174.62 173.84 1i7r s HIS 188 N -2.32 -0.03 0.09 3.99 -3.43 -1.13 -5.01 115.29 107.46 1i7r s HIS 188 Ca 0.34 0.01 0.09 0.00 -0.80 0.00 0.00 55.06 54.70 1i7r s HIS 188 Cb -0.05 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 31.57 1i7r s HIS 188 CO 0.22 -0.05 -0.23 -1.64 -2.00 0.00 0.00 174.74 171.04 1i7r s MET 189 N -2.09 1.29 0.15 -0.38 -1.94 -1.26 -0.97 119.30 114.10 1i7r s MET 189 Ca 0.12 -1.17 0.10 0.00 -1.71 0.00 0.00 55.69 53.03 1i7r s MET 189 Cb -0.00 -1.59 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 1i7r s MET 189 CO -0.03 0.38 -0.24 0.95 -0.01 0.00 0.00 175.02 176.08 1i7r s THR 190 N -1.04 2.13 -0.07 2.05 -4.23 -0.85 -4.98 115.64 108.66 1i7r s THR 190 Ca 0.09 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1i7r s THR 190 Cb -0.10 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1i7r s THR 190 CO 0.04 -0.08 -0.14 -2.28 -0.54 0.00 0.00 174.62 171.63 1i7r s HIS 191 N -1.46 1.59 -0.10 3.99 2.46 -1.26 -1.85 115.29 118.67 1i7r s HIS 191 Ca 0.15 -0.59 -0.04 0.00 0.47 0.00 0.00 55.06 55.06 1i7r s HIS 191 Cb -0.09 -1.14 0.05 0.00 -0.13 0.00 0.00 32.58 31.27 1i7r s HIS 191 CO 0.07 -0.28 0.20 -1.58 -2.47 0.00 0.00 174.74 170.68 1i7r s HIS 192 N 0.57 -0.27 0.09 3.88 5.04 -0.89 -5.00 115.29 118.71 1i7r s HIS 192 Ca -0.14 0.73 -0.31 0.00 -1.54 0.00 0.00 55.06 53.80 1i7r s HIS 192 Cb -0.16 -0.14 -0.08 0.00 0.04 0.00 0.00 32.58 32.25 1i7r s HIS 192 CO 0.04 -0.28 1.45 0.00 -2.34 0.00 0.00 174.74 173.61 1i7r s ALA 193 N 2.11 3.63 -0.15 1.58 0.00 -1.26 -1.52 121.76 126.15 1i7r s ALA 193 Ca -0.00 1.11 0.17 0.00 0.00 0.00 0.00 51.96 53.24 1i7r s ALA 193 Cb -0.12 -3.59 -0.25 0.00 0.00 0.00 0.00 23.12 19.17 1i7r s ALA 193 CO -0.07 -0.78 0.14 1.33 0.00 0.00 0.00 175.76 176.38 1i7r n VAL 194 N 4.24 1.02 -3.62 0.00 0.24 -1.16 -4.95 118.33 114.11 1i7r n VAL 194 Ca 0.13 -0.72 -0.04 0.00 -2.04 0.00 0.00 64.34 61.67 1i7r n VAL 194 Cb 0.42 -0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 32.39 1i7r n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1i7r n SER 195 N -2.59 -0.41 0.02 -1.34 3.41 -1.21 -5.03 113.62 106.47 1i7r n SER 195 Ca -0.25 -1.50 0.14 0.00 -0.26 0.00 0.00 58.87 57.00 1i7r n SER 195 Cb 0.99 0.75 0.58 0.00 -0.26 0.00 0.00 64.21 66.27 1i7r n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i7r n ASP 196 N -1.85 0.13 -0.13 4.04 8.00 -1.26 -3.99 116.55 121.49 1i7r n ASP 196 Ca -0.00 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1i7r n ASP 196 Cb 0.16 -0.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.72 1i7r n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i7r n HIS 197 N -1.62 0.00 -4.06 1.24 1.44 -1.26 -4.94 115.22 106.02 1i7r n HIS 197 Ca 0.07 -0.10 -0.10 0.00 -2.01 0.00 0.00 57.72 55.58 1i7r n HIS 197 Cb 0.35 -0.03 -0.11 0.00 0.12 0.00 0.00 29.99 30.33 1i7r n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1i7r s GLU 198 N -0.25 0.53 0.04 -1.40 2.02 -1.26 -1.94 118.70 116.45 1i7r s GLU 198 Ca 0.02 -0.93 -0.09 0.00 0.02 0.00 0.00 54.97 53.99 1i7r s GLU 198 Cb 0.01 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1i7r s GLU 198 CO 0.00 -0.04 0.19 0.00 0.02 0.00 0.00 175.26 175.43 1i7r s ALA 199 N -2.46 -0.32 -0.22 5.21 0.00 0.17 -2.96 121.76 121.17 1i7r s ALA 199 Ca -0.04 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1i7r s ALA 199 Cb -0.03 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1i7r s ALA 199 CO -0.04 -0.37 0.40 0.99 0.00 0.00 0.00 175.76 176.74 1i7r s THR 200 N -2.67 5.19 -0.22 0.00 2.01 -0.57 0.14 115.64 119.51 1i7r s THR 200 Ca -0.04 0.68 -0.06 0.00 0.31 0.00 0.00 61.69 62.58 1i7r s THR 200 Cb -0.01 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1i7r s THR 200 CO -0.04 0.22 0.04 -0.76 -0.69 0.00 0.00 174.62 173.38 1i7r s LEU 201 N 1.55 3.42 -0.12 4.42 1.02 0.62 -2.09 118.68 127.49 1i7r s LEU 201 Ca 0.18 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.18 1i7r s LEU 201 Cb -0.15 -1.89 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 1i7r s LEU 201 CO 0.08 0.05 -0.15 -0.60 0.02 0.00 0.00 176.35 175.75 1i7r s ARG 202 N 1.13 3.26 -0.23 1.70 3.52 -0.77 -1.64 118.95 125.92 1i7r s ARG 202 Ca 0.03 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.86 1i7r s ARG 202 Cb -0.14 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 1i7r s ARG 202 CO 0.02 0.24 0.01 0.00 -0.81 0.00 0.00 175.30 174.76 1i7r s TRP 204 N 1.41 3.05 -0.13 0.00 0.52 -0.15 -1.60 118.94 122.05 1i7r s TRP 204 Ca 0.05 0.06 -0.01 0.00 0.02 0.00 0.00 56.10 56.23 1i7r s TRP 204 Cb -0.15 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1i7r s TRP 204 CO 0.00 0.45 -0.06 0.00 0.02 0.00 0.00 176.95 177.36 1i7r s ALA 205 N -1.08 1.35 0.33 0.98 0.00 -0.33 -2.83 121.76 120.18 1i7r s ALA 205 Ca 0.19 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.59 1i7r s ALA 205 Cb -0.11 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.97 1i7r s ALA 205 CO 0.10 -0.54 -0.02 -0.51 0.00 0.00 0.00 175.76 174.79 1i7r s LEU 206 N 1.70 2.52 -1.57 0.00 1.43 0.04 -1.50 118.68 121.30 1i7r s LEU 206 Ca 0.04 -1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 51.84 1i7r s LEU 206 Cb -0.13 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.43 1i7r s LEU 206 CO -0.08 -0.41 0.05 -1.20 0.23 0.00 0.00 176.35 174.94 1i7r n SER 207 N -0.72 0.70 -4.82 2.29 7.64 -1.06 -1.23 113.62 116.42 1i7r n SER 207 Ca -0.04 -1.27 -0.22 0.00 1.01 0.00 0.00 58.87 58.35 1i7r n SER 207 Cb 0.65 -1.58 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 1i7r n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1i7r s PHE 208 N -4.27 3.01 -0.28 1.43 -0.12 -1.14 -4.61 117.98 111.99 1i7r s PHE 208 Ca 0.08 -0.18 -0.19 0.00 -0.05 0.00 0.00 56.93 56.58 1i7r s PHE 208 Cb -0.04 -1.51 0.08 0.00 -0.63 0.00 0.00 43.02 40.92 1i7r s PHE 208 CO 1.00 0.42 0.72 -0.47 -0.05 0.00 0.00 175.22 176.84 1i7r s TYR 209 N -2.21 -0.95 0.38 3.49 5.04 -0.70 -1.81 117.35 120.60 1i7r s TYR 209 Ca 0.35 2.01 -0.06 0.00 -2.44 0.00 0.00 57.07 56.93 1i7r s TYR 209 Cb -0.07 0.51 0.09 0.00 0.35 0.00 0.00 41.96 42.83 1i7r s TYR 209 CO 0.25 -0.47 0.50 -0.35 -1.34 0.00 0.00 175.55 174.14 1i7r n PRO 210 N 3.74 -0.64 -0.20 4.97 -0.04 -1.26 -0.85 135.00 140.72 1i7r n PRO 210 Ca -0.18 -0.77 -0.02 0.00 -0.04 0.00 0.00 63.50 62.49 1i7r n PRO 210 Cb 0.58 -0.53 0.18 0.00 -0.04 0.00 0.00 33.50 33.69 1i7r n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i7r h ALA 211 N -1.96 1.27 -2.46 0.55 0.00 -1.97 -3.45 119.26 111.24 1i7r h ALA 211 Ca -0.16 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.04 1i7r h ALA 211 Cb 0.45 -0.27 0.07 0.00 0.00 0.00 0.00 17.79 18.04 1i7r h ALA 211 CO 0.11 0.55 0.79 -1.91 0.00 0.00 0.00 179.25 178.80 1i7r n GLU 212 N -4.33 2.33 -3.51 0.00 2.13 -1.26 -4.99 120.64 111.01 1i7r n GLU 212 Ca 0.06 0.84 -0.13 0.00 0.66 0.00 0.00 57.16 58.59 1i7r n GLU 212 Cb 0.15 -2.59 -0.04 0.00 0.27 0.00 0.00 31.44 29.23 1i7r n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1i7r s ILE 213 N 0.46 0.00 -0.13 6.31 2.07 -1.26 -4.69 121.20 123.97 1i7r s ILE 213 Ca 0.72 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.97 1i7r s ILE 213 Cb -0.60 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.00 1i7r s ILE 213 CO 0.43 0.00 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.40 1i7r s THR 214 N -2.03 1.67 -0.20 4.00 2.01 -0.49 -5.00 115.64 115.60 1i7r s THR 214 Ca -0.03 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1i7r s THR 214 Cb -0.01 -1.52 0.06 0.00 0.01 0.00 0.00 72.50 71.05 1i7r s THR 214 CO -0.00 0.47 0.04 -0.22 -0.69 0.00 0.00 174.62 174.22 1i7r s LEU 215 N 1.08 1.11 0.19 4.42 2.96 -1.26 -0.65 118.68 126.54 1i7r s LEU 215 Ca -0.03 -0.82 0.02 0.00 -0.22 0.00 0.00 54.13 53.07 1i7r s LEU 215 Cb -0.14 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.94 1i7r s LEU 215 CO -0.04 -0.31 0.02 0.42 -1.32 0.00 0.00 176.35 175.11 1i7r s THR 216 N 1.88 0.67 0.10 3.68 -4.23 -0.65 -4.93 115.64 112.17 1i7r s THR 216 Ca -0.00 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 1i7r s THR 216 Cb -0.17 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1i7r s THR 216 CO -0.09 -0.38 -0.16 0.26 -0.54 0.00 0.00 174.62 173.71 1i7r s TRP 217 N -3.67 2.58 0.06 3.99 0.52 -1.26 -0.45 118.94 120.72 1i7r s TRP 217 Ca 0.27 -0.24 0.04 0.00 0.02 0.00 0.00 56.10 56.19 1i7r s TRP 217 Cb 0.06 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 1i7r s TRP 217 CO 0.06 0.37 -0.11 -0.65 0.02 0.00 0.00 176.95 176.63 1i7r s GLN 218 N -2.00 0.69 -0.21 4.98 -0.21 -0.36 -3.18 119.66 119.38 1i7r s GLN 218 Ca 0.18 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.70 1i7r s GLN 218 Cb -0.11 -0.59 0.03 0.00 1.00 0.00 0.00 33.01 33.35 1i7r s GLN 218 CO 0.10 0.12 -0.16 0.50 -2.12 0.00 0.00 175.29 173.73 1i7r s ARG 219 N -1.68 2.85 -1.37 2.91 3.52 -0.63 -1.38 118.95 123.16 1i7r s ARG 219 Ca -0.05 -0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 54.59 1i7r s ARG 219 Cb -0.10 -2.70 0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1i7r s ARG 219 CO 0.01 -0.30 0.19 -0.25 -0.81 0.00 0.00 175.30 174.14 1i7r n ASP 220 N 4.60 -4.81 0.00 -2.12 8.00 -0.34 -1.03 116.55 120.85 1i7r n ASP 220 Ca -0.19 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1i7r n ASP 220 Cb 0.48 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 1i7r n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i7r n GLY 221 N -1.05 0.87 3.79 0.44 0.00 -1.26 -5.04 105.19 102.94 1i7r n GLY 221 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1i7r n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7r s GLU 222 N -0.05 3.18 0.28 1.61 0.41 -0.19 -5.03 118.70 118.90 1i7r s GLU 222 Ca 0.00 -0.35 -0.30 0.00 -0.41 0.00 0.00 54.97 53.91 1i7r s GLU 222 Cb 0.00 -2.95 -0.12 0.00 -1.78 0.00 0.00 34.13 29.28 1i7r s GLU 222 CO 0.00 0.70 1.54 -3.47 -0.49 0.00 0.00 175.26 173.54 1i7r n ASP 223 N 1.68 3.56 -0.55 -0.19 -0.08 -1.26 -1.60 116.55 118.11 1i7r n ASP 223 Ca -0.17 1.15 0.06 0.00 -1.51 0.00 0.00 54.79 54.33 1i7r n ASP 223 Cb 0.54 -1.55 0.20 0.00 2.34 0.00 0.00 41.12 42.64 1i7r n ASP 223 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i7r n GLN 224 N 2.02 1.52 -0.24 -0.67 1.13 -1.19 -4.86 117.38 115.09 1i7r n GLN 224 Ca 0.09 -3.19 0.05 0.00 -1.94 0.00 0.00 57.00 52.00 1i7r n GLN 224 Cb 0.35 -1.58 0.17 0.00 0.11 0.00 0.00 30.24 29.30 1i7r n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1i7r h THR 225 N 0.98 0.54 0.00 5.09 2.02 -1.92 -0.47 112.91 119.14 1i7r h THR 225 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1i7r h THR 225 Cb 1.01 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1i7r h THR 225 CO 0.00 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1i7r n GLN 226 N -5.14 0.05 -0.16 6.66 6.02 -1.26 -3.01 117.38 120.54 1i7r n GLN 226 Ca 0.14 0.22 0.07 0.00 -0.01 0.00 0.00 57.00 57.41 1i7r n GLN 226 Cb 0.44 -1.59 0.15 0.00 1.02 0.00 0.00 30.24 30.27 1i7r n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i7r n ASP 227 N -1.69 2.88 -4.80 1.08 8.00 -0.21 -4.97 116.55 116.84 1i7r n ASP 227 Ca 0.04 -1.90 -0.36 0.00 0.71 0.00 0.00 54.79 53.28 1i7r n ASP 227 Cb 0.24 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 1i7r n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i7r s THR 228 N -1.02 5.31 -0.28 -3.53 2.01 -1.06 -4.62 115.64 112.45 1i7r s THR 228 Ca 0.25 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 1i7r s THR 228 Cb 0.14 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1i7r s THR 228 CO 0.18 0.56 0.29 -0.70 -0.69 0.00 0.00 174.62 174.26 1i7r s GLU 229 N -0.51 3.92 -0.19 4.92 2.12 -0.29 -4.95 118.70 123.71 1i7r s GLU 229 Ca 0.12 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.25 1i7r s GLU 229 Cb -0.12 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1i7r s GLU 229 CO 0.02 -0.27 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.18 1i7r s LEU 230 N 1.92 2.53 0.48 2.70 0.20 -1.26 -1.42 118.68 123.83 1i7r s LEU 230 Ca 0.11 -0.51 -0.03 0.00 0.69 0.00 0.00 54.13 54.39 1i7r s LEU 230 Cb -0.16 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 43.97 1i7r s LEU 230 CO 0.11 0.00 0.75 0.68 -0.29 0.00 0.00 176.35 177.60 1i7r s VAL 231 N 1.31 4.45 0.32 1.68 -7.23 -1.05 -5.04 120.40 114.84 1i7r s VAL 231 Ca 0.04 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.82 1i7r s VAL 231 Cb -0.14 -3.69 -0.10 0.00 0.56 0.00 0.00 36.38 33.02 1i7r s VAL 231 CO -0.07 -0.60 1.22 -1.61 -0.31 0.00 0.00 175.10 173.72 1i7r s GLU 232 N -4.69 4.43 0.16 4.82 2.02 -1.26 -4.66 118.70 119.52 1i7r s GLU 232 Ca 0.48 2.03 -0.34 0.00 0.02 0.00 0.00 54.97 57.16 1i7r s GLU 232 Cb -0.10 -3.07 -0.15 0.00 0.10 0.00 0.00 34.13 30.91 1i7r s GLU 232 CO 0.42 -0.06 1.43 2.41 0.02 0.00 0.00 175.26 179.48 1i7r n THR 233 N 0.86 0.34 -4.12 3.63 -1.04 -1.26 -4.88 114.28 107.81 1i7r n THR 233 Ca 0.00 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 1i7r n THR 233 Cb 0.43 -1.27 -0.10 0.00 -1.82 0.00 0.00 70.33 67.58 1i7r n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i7r s ARG 234 N 0.33 0.71 0.12 -2.82 1.04 -0.69 -4.97 118.95 112.67 1i7r s ARG 234 Ca 0.77 -1.17 -0.30 0.00 -1.04 0.00 0.00 55.73 53.99 1i7r s ARG 234 Cb -0.76 -0.12 -0.06 0.00 -2.04 0.00 0.00 34.95 31.97 1i7r s ARG 234 CO 0.45 -0.03 1.00 -1.25 -0.04 0.00 0.00 175.30 175.43 1i7r s PRO 235 N -3.31 4.67 0.43 3.89 0.04 -1.26 -0.56 135.00 138.89 1i7r s PRO 235 Ca 0.05 1.52 0.23 0.00 0.04 0.00 0.00 61.00 62.84 1i7r s PRO 235 Cb 0.02 -3.35 0.32 0.00 0.04 0.00 0.00 34.50 31.53 1i7r s PRO 235 CO -0.05 0.17 1.59 0.00 0.04 0.00 0.00 177.00 178.76 1i7r h ALA 236 N 5.51 0.98 0.00 8.56 0.00 -1.22 -3.47 119.26 129.61 1i7r h ALA 236 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1i7r h ALA 236 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i7r h ALA 236 CO 0.72 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1i7r n GLY 237 N 1.11 2.12 1.07 0.00 0.00 -1.26 -4.94 105.19 103.28 1i7r n GLY 237 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1i7r n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i7r n ASP 238 N 0.00 4.10 0.00 1.61 5.68 -1.26 -4.93 116.55 121.75 1i7r n ASP 238 Ca 0.00 -2.79 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 1i7r n ASP 238 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1i7r n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7r n GLY 239 N -0.01 0.48 3.84 6.12 0.00 -1.26 -5.06 105.19 109.30 1i7r n GLY 239 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1i7r n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7r s THR 240 N -2.19 2.77 0.35 2.61 -4.23 -1.26 -4.90 115.64 108.79 1i7r s THR 240 Ca 0.00 -1.43 0.09 0.00 -1.18 0.00 0.00 61.69 59.17 1i7r s THR 240 Cb 0.00 -3.03 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 1i7r s THR 240 CO 0.00 -0.04 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.60 1i7r s PHE 241 N -2.46 2.42 0.03 3.99 0.08 -0.75 -0.69 117.98 120.61 1i7r s PHE 241 Ca 0.45 -0.50 -0.00 0.00 0.12 0.00 0.00 56.93 57.00 1i7r s PHE 241 Cb -0.02 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.99 1i7r s PHE 241 CO 0.26 0.57 -0.04 -0.65 -0.10 0.00 0.00 175.22 175.27 1i7r s GLN 242 N -3.62 0.42 -0.14 0.44 -0.21 0.28 -2.55 119.66 114.27 1i7r s GLN 242 Ca 0.33 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.62 1i7r s GLN 242 Cb 0.03 0.09 0.08 0.00 1.00 0.00 0.00 33.01 34.20 1i7r s GLN 242 CO 0.17 -0.06 0.73 0.21 -2.12 0.00 0.00 175.29 174.22 1i7r s LYS 243 N -2.18 0.93 0.08 2.91 2.20 -0.56 -1.70 119.74 121.43 1i7r s LYS 243 Ca -0.09 0.50 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 1i7r s LYS 243 Cb -0.05 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1i7r s LYS 243 CO -0.03 -0.23 -0.06 1.67 -0.36 0.00 0.00 175.35 176.34 1i7r s TRP 244 N -0.63 0.77 -0.02 4.03 1.48 -1.26 -1.18 118.94 122.13 1i7r s TRP 244 Ca -0.06 -0.94 0.01 0.00 -1.06 0.00 0.00 56.10 54.05 1i7r s TRP 244 Cb -0.02 -0.47 0.01 0.00 -1.16 0.00 0.00 33.47 31.83 1i7r s TRP 244 CO 0.06 -0.21 -0.02 0.00 -4.06 0.00 0.00 176.95 172.72 1i7r s ALA 245 N -3.59 0.34 0.07 2.67 0.00 -0.62 -2.54 121.76 118.09 1i7r s ALA 245 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1i7r s ALA 245 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1i7r s ALA 245 CO -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 175.76 175.56 1i7r s ALA 246 N 0.57 1.14 0.01 0.00 0.00 -0.51 0.16 121.76 123.13 1i7r s ALA 246 Ca -0.06 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1i7r s ALA 246 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1i7r s ALA 246 CO -0.01 0.16 -0.04 0.14 0.00 0.00 0.00 175.76 176.01 1i7r s VAL 247 N -1.23 0.29 -0.33 0.00 -7.23 -0.65 -1.14 120.40 110.11 1i7r s VAL 247 Ca -0.02 -0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 59.63 1i7r s VAL 247 Cb -0.10 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 1i7r s VAL 247 CO 0.02 -0.03 0.58 -0.69 -0.31 0.00 0.00 175.10 174.67 1i7r s VAL 248 N -0.36 4.97 -0.02 1.32 1.01 -1.26 -0.28 120.40 125.78 1i7r s VAL 248 Ca -0.02 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1i7r s VAL 248 Cb -0.03 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1i7r s VAL 248 CO -0.00 -0.18 -0.01 -0.69 0.00 0.00 0.00 175.10 174.22 1i7r s VAL 249 N 2.53 4.10 0.11 2.92 1.01 0.36 -4.90 120.40 126.53 1i7r s VAL 249 Ca 0.22 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1i7r s VAL 249 Cb -0.15 -2.80 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 1i7r s VAL 249 CO 0.13 0.42 1.49 -2.84 0.00 0.00 0.00 175.10 174.31 1i7r s PRO 250 N -1.41 4.26 0.31 2.72 0.02 -1.26 0.45 135.00 140.10 1i7r s PRO 250 Ca 0.18 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 1i7r s PRO 250 Cb -0.11 -3.33 -0.13 0.00 0.02 0.00 0.00 34.50 30.95 1i7r s PRO 250 CO 0.08 -0.56 1.33 0.43 -0.33 0.00 0.00 177.00 177.95 1i7r n SER 251 N 4.46 2.81 0.00 2.53 7.64 -0.82 -1.31 113.62 128.94 1i7r n SER 251 Ca 0.13 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.20 1i7r n SER 251 Cb 0.41 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1i7r n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7r n GLY 252 N 1.18 2.96 0.97 0.23 0.00 -1.26 -4.91 105.19 104.36 1i7r n GLY 252 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1i7r n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7r n GLN 253 N -2.00 3.08 -0.25 1.61 6.02 -0.43 -4.70 117.38 120.72 1i7r n GLN 253 Ca 0.00 -2.48 0.05 0.00 -0.01 0.00 0.00 57.00 54.56 1i7r n GLN 253 Cb 0.00 -1.58 0.18 0.00 1.02 0.00 0.00 30.24 29.86 1i7r n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i7r h GLU 254 N 2.60 0.33 0.00 -1.09 3.07 -1.91 -1.42 114.58 116.17 1i7r h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1i7r h GLU 254 Cb 1.09 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1i7r h GLU 254 CO 0.11 0.22 0.00 -0.56 -1.40 0.00 0.00 179.01 177.38 1i7r h GLN 255 N 0.34 0.00 0.00 2.33 -0.00 -1.84 -2.49 115.11 113.45 1i7r h GLN 255 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 1i7r h GLN 255 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.13 1i7r h GLN 255 CO -0.45 0.00 -0.17 0.54 -0.00 0.00 0.00 178.83 178.75 1i7r n ARG 256 N -2.31 0.27 -3.81 0.06 1.74 -0.53 -4.88 116.66 107.20 1i7r n ARG 256 Ca -0.01 0.18 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 1i7r n ARG 256 Cb 0.06 -1.78 -0.07 0.00 -1.02 0.00 0.00 32.46 29.65 1i7r n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1i7r s TYR 257 N -3.12 3.56 -0.03 -1.55 1.51 -0.94 -1.20 117.35 115.58 1i7r s TYR 257 Ca 0.09 0.51 0.05 0.00 -1.01 0.00 0.00 57.07 56.71 1i7r s TYR 257 Cb 0.12 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1i7r s TYR 257 CO 0.63 0.61 -0.17 0.95 -1.11 0.00 0.00 175.55 176.46 1i7r s THR 258 N -0.64 1.41 -0.20 -0.71 -4.23 -0.48 -4.37 115.64 106.41 1i7r s THR 258 Ca 0.14 -0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 59.83 1i7r s THR 258 Cb -0.12 -1.20 -0.05 0.00 1.34 0.00 0.00 72.50 72.48 1i7r s THR 258 CO 0.03 0.40 0.12 0.00 -0.54 0.00 0.00 174.62 174.63 1i7r s HIS 260 N 0.51 2.94 -0.10 0.00 3.76 0.40 -1.07 115.29 121.72 1i7r s HIS 260 Ca 0.07 -0.68 0.03 0.00 -0.15 0.00 0.00 55.06 54.33 1i7r s HIS 260 Cb -0.12 -2.00 -0.00 0.00 1.11 0.00 0.00 32.58 31.57 1i7r s HIS 260 CO -0.00 -0.32 -0.22 0.08 -0.85 0.00 0.00 174.74 173.43 1i7r s VAL 261 N 0.88 2.26 -0.05 -0.90 1.01 -0.02 -1.63 120.40 121.94 1i7r s VAL 261 Ca -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1i7r s VAL 261 Cb -0.15 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1i7r s VAL 261 CO 0.01 0.55 -0.11 -1.10 0.00 0.00 0.00 175.10 174.45 1i7r s GLN 262 N 0.31 1.40 -0.06 2.72 -0.21 0.18 -0.66 119.66 123.34 1i7r s GLN 262 Ca -0.17 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 1i7r s GLN 262 Cb -0.17 -1.22 0.09 0.00 1.00 0.00 0.00 33.01 32.71 1i7r s GLN 262 CO 0.08 0.07 0.79 -1.58 -2.12 0.00 0.00 175.29 172.53 1i7r s HIS 263 N 0.48 -0.53 0.30 0.91 2.46 -1.26 -1.40 115.29 116.25 1i7r s HIS 263 Ca -0.10 0.83 0.01 0.00 0.47 0.00 0.00 55.06 56.27 1i7r s HIS 263 Cb -0.13 0.45 0.53 0.00 -0.13 0.00 0.00 32.58 33.29 1i7r s HIS 263 CO 0.02 -0.54 1.91 1.49 -2.47 0.00 0.00 174.74 175.15 1i7r h GLU 264 N 2.70 1.00 0.00 2.88 4.81 -1.94 -2.31 114.58 121.71 1i7r h GLU 264 Ca -0.25 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1i7r h GLU 264 Cb 1.17 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1i7r h GLU 264 CO 0.36 0.66 0.00 0.41 -0.73 0.00 0.00 179.01 179.71 1i7r n GLY 265 N -1.40 -0.74 3.56 1.92 0.00 -1.26 -4.78 105.19 102.49 1i7r n GLY 265 Ca 0.14 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1i7r n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i7r s LEU 266 N -1.61 3.38 0.40 0.99 1.43 -0.87 -4.25 118.68 118.15 1i7r s LEU 266 Ca 0.22 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.37 1i7r s LEU 266 Cb 0.10 -1.80 0.83 0.00 0.03 0.00 0.00 46.19 45.34 1i7r s LEU 266 CO 0.17 0.24 1.96 1.55 0.23 0.00 0.00 176.35 180.49 1i7r h PRO 267 N 6.21 0.31 -3.01 1.29 0.13 -1.87 -3.44 132.00 131.62 1i7r h PRO 267 Ca -0.38 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 1i7r h PRO 267 Cb 1.19 -0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.04 1i7r h PRO 267 CO 0.61 0.36 -0.32 0.15 -0.23 0.00 0.00 178.00 178.57 1i7r s LYS 268 N -4.94 0.50 0.58 0.86 1.02 -1.26 -5.15 119.74 111.35 1i7r s LYS 268 Ca -0.06 0.15 -0.20 0.00 0.02 0.00 0.00 55.97 55.88 1i7r s LYS 268 Cb 0.16 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.66 1i7r s LYS 268 CO 0.73 -0.11 1.16 -2.30 -0.92 0.00 0.00 175.35 173.92 1i7r n PRO 269 N 2.17 1.23 -3.97 -1.68 -0.02 -1.26 -4.99 135.00 126.48 1i7r n PRO 269 Ca -0.17 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 1i7r n PRO 269 Cb 0.57 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1i7r n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i7r s LEU 270 N -2.85 4.18 -0.20 2.45 1.43 0.16 -4.95 118.68 118.90 1i7r s LEU 270 Ca 0.75 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1i7r s LEU 270 Cb -0.42 -2.59 0.06 0.00 0.03 0.00 0.00 46.19 43.26 1i7r s LEU 270 CO 0.47 0.23 0.01 -0.89 0.23 0.00 0.00 176.35 176.40 1i7r s THR 271 N -1.34 0.78 0.04 5.49 2.01 -1.26 -0.84 115.64 120.52 1i7r s THR 271 Ca 0.28 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1i7r s THR 271 Cb -0.12 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1i7r s THR 271 CO 0.20 -0.17 0.01 -0.76 -0.69 0.00 0.00 174.62 173.21 1i7r s LEU 272 N 1.74 3.52 -0.07 4.42 1.43 -0.24 -4.94 118.68 124.54 1i7r s LEU 272 Ca -0.02 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1i7r s LEU 272 Cb -0.17 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 43.97 1i7r s LEU 272 CO -0.07 0.23 0.15 -0.60 0.23 0.00 0.00 176.35 176.29 1i7r s ARG 273 N -1.89 0.09 -0.01 1.70 3.52 -1.26 -0.50 118.95 120.60 1i7r s ARG 273 Ca 0.23 0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 1i7r s ARG 273 Cb -0.12 -0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.02 1i7r s ARG 273 CO 0.14 -0.18 1.69 -0.46 -0.81 0.00 0.00 175.30 175.68 1i7r s TRP 274 N 1.28 1.99 0.00 5.12 -0.11 -1.26 -5.07 118.94 120.89 1i7r s TRP 274 Ca -0.08 0.14 0.00 0.00 1.22 0.00 0.00 56.10 57.38 1i7r s TRP 274 Cb -0.12 -3.96 0.00 0.00 -1.50 0.00 0.00 33.47 27.89 1i7r s TRP 274 CO -0.06 -4.06 0.00 -0.85 -4.62 0.00 0.00 176.95 167.36