#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1f s SER 2 N 0.00 6.33 0.20 1.61 0.01 -1.26 -3.08 113.70 117.51 1i1f s SER 2 Ca 0.00 0.39 0.10 0.00 1.31 0.00 0.00 55.95 57.75 1i1f s SER 2 Cb 0.00 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1i1f s SER 2 CO 0.00 0.34 -0.20 -1.00 0.41 0.00 0.00 173.24 172.79 1i1f s HIS 3 N -0.59 2.04 0.00 2.43 0.09 -0.22 -4.97 115.29 114.06 1i1f s HIS 3 Ca 0.13 -0.42 -0.05 0.00 -0.00 0.00 0.00 55.06 54.71 1i1f s HIS 3 Cb -0.12 -0.97 -0.00 0.00 -0.00 0.00 0.00 32.58 31.49 1i1f s HIS 3 CO 0.02 0.46 0.10 -1.54 -0.00 0.00 0.00 174.74 173.79 1i1f s SER 4 N -2.93 0.05 -0.12 1.40 1.04 -1.26 -0.58 113.70 111.29 1i1f s SER 4 Ca 0.21 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1i1f s SER 4 Cb -0.06 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.27 1i1f s SER 4 CO 0.09 -0.32 -0.17 -0.32 0.98 0.00 0.00 173.24 173.51 1i1f s MET 5 N -1.23 2.45 0.02 4.02 -2.45 -0.95 -0.57 119.30 120.59 1i1f s MET 5 Ca -0.13 -0.64 0.02 0.00 -1.25 0.00 0.00 55.69 53.68 1i1f s MET 5 Cb -0.07 -2.06 -0.02 0.00 1.25 0.00 0.00 34.83 33.93 1i1f s MET 5 CO 0.01 -0.07 -0.06 1.03 1.05 0.00 0.00 175.02 176.98 1i1f s ARG 6 N 0.99 0.43 -0.08 4.11 0.52 0.14 -2.37 118.95 122.69 1i1f s ARG 6 Ca -0.06 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 1i1f s ARG 6 Cb -0.15 -0.26 -0.02 0.00 0.52 0.00 0.00 34.95 35.04 1i1f s ARG 6 CO -0.03 0.05 -0.13 0.71 0.02 0.00 0.00 175.30 175.93 1i1f s TYR 7 N -0.89 2.76 -0.19 -0.53 2.02 0.11 -1.34 117.35 119.29 1i1f s TYR 7 Ca -0.06 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1i1f s TYR 7 Cb -0.07 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1i1f s TYR 7 CO 0.00 0.04 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.79 1i1f s PHE 8 N -0.31 2.81 -0.03 2.71 0.08 -0.61 -2.62 117.98 120.01 1i1f s PHE 8 Ca 0.03 -1.58 0.07 0.00 0.12 0.00 0.00 56.93 55.57 1i1f s PHE 8 Cb -0.13 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1i1f s PHE 8 CO 0.03 -0.78 -0.26 -0.06 -0.10 0.00 0.00 175.22 174.05 1i1f s PHE 9 N 1.31 2.36 -0.05 0.36 0.40 0.43 -1.34 117.98 121.44 1i1f s PHE 9 Ca 0.05 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1i1f s PHE 9 Cb -0.13 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.90 1i1f s PHE 9 CO -0.12 -0.08 0.04 0.99 0.70 0.00 0.00 175.22 176.74 1i1f s THR 10 N -0.50 0.09 -0.13 0.64 2.01 -0.26 -1.94 115.64 115.55 1i1f s THR 10 Ca 0.07 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.39 1i1f s THR 10 Cb -0.11 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1i1f s THR 10 CO 0.00 0.21 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.37 1i1f s SER 11 N 2.06 3.12 -0.10 3.53 0.15 -0.76 -0.87 113.70 120.84 1i1f s SER 11 Ca 0.05 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 1i1f s SER 11 Cb -0.12 -1.44 0.03 0.00 -1.71 0.00 0.00 66.02 62.77 1i1f s SER 11 CO -0.04 0.10 -0.06 -0.69 1.20 0.00 0.00 173.24 173.76 1i1f s VAL 12 N 0.69 0.84 0.40 4.45 1.01 -0.69 -0.55 120.40 126.56 1i1f s VAL 12 Ca -0.10 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 1i1f s VAL 12 Cb -0.16 -0.90 -0.11 0.00 0.00 0.00 0.00 36.38 35.22 1i1f s VAL 12 CO 0.01 0.34 0.93 -0.94 0.00 0.00 0.00 175.10 175.43 1i1f s SER 13 N 1.73 6.98 -0.54 3.32 1.04 -0.79 -0.58 113.70 124.86 1i1f s SER 13 Ca 0.04 1.67 0.05 0.00 0.48 0.00 0.00 55.95 58.19 1i1f s SER 13 Cb -0.13 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.64 1i1f s SER 13 CO -0.07 -0.30 0.43 0.54 0.98 0.00 0.00 173.24 174.82 1i1f n ARG 14 N -0.44 0.98 -1.45 4.02 1.74 -1.26 -4.29 116.66 115.96 1i1f n ARG 14 Ca 0.06 -3.76 -0.60 0.00 -0.77 0.00 0.00 57.85 52.77 1i1f n ARG 14 Cb 0.53 -1.91 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 1i1f n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1i1f n PRO 15 N 2.30 0.27 -0.92 5.56 -0.04 -1.26 -0.12 135.00 140.79 1i1f n PRO 15 Ca 0.26 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1i1f n PRO 15 Cb 0.43 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1i1f n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i1f n GLY 16 N 6.14 0.69 0.53 0.55 0.00 -1.26 -4.83 105.19 107.01 1i1f n GLY 16 Ca 0.44 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.54 1i1f n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1f n ARG 17 N -2.03 2.39 0.00 1.61 1.74 0.83 -5.10 116.66 116.10 1i1f n ARG 17 Ca 0.00 -2.57 0.00 0.00 -0.77 0.00 0.00 57.85 54.51 1i1f n ARG 17 Cb 0.03 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1i1f n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i1f n GLY 18 N -0.70 -1.12 3.55 -0.13 0.00 -1.22 -4.98 105.19 100.58 1i1f n GLY 18 Ca 0.17 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1i1f n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i1f n GLU 19 N -0.04 -0.04 -1.23 1.61 -0.58 -1.26 -4.44 120.64 114.67 1i1f n GLU 19 Ca 0.00 0.05 -0.32 0.00 -0.42 0.00 0.00 57.16 56.47 1i1f n GLU 19 Cb 0.00 -2.10 0.10 0.00 -0.57 0.00 0.00 31.44 28.87 1i1f n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1i1f s PRO 20 N -3.73 1.99 0.15 3.49 0.05 -1.26 -4.58 135.00 131.10 1i1f s PRO 20 Ca 0.65 1.43 -0.22 0.00 0.05 0.00 0.00 61.00 62.91 1i1f s PRO 20 Cb -0.27 -1.85 -0.08 0.00 0.05 0.00 0.00 34.50 32.36 1i1f s PRO 20 CO 0.59 -1.89 0.70 0.50 0.05 0.00 0.00 177.00 176.95 1i1f s ARG 21 N -4.50 4.37 -0.14 4.56 6.06 0.25 -4.90 118.95 124.65 1i1f s ARG 21 Ca 0.66 0.94 -0.02 0.00 -2.50 0.00 0.00 55.73 54.81 1i1f s ARG 21 Cb -0.22 -3.15 0.05 0.00 0.06 0.00 0.00 34.95 31.69 1i1f s ARG 21 CO 0.52 0.55 0.03 0.12 -2.50 0.00 0.00 175.30 174.01 1i1f s PHE 22 N -1.24 0.78 -0.04 5.12 5.36 -1.26 -1.71 117.98 125.00 1i1f s PHE 22 Ca 0.35 -0.49 0.05 0.00 -0.96 0.00 0.00 56.93 55.89 1i1f s PHE 22 Cb -0.20 -0.89 -0.02 0.00 -0.34 0.00 0.00 43.02 41.56 1i1f s PHE 22 CO 0.23 -0.47 -0.19 0.42 -1.46 0.00 0.00 175.22 173.74 1i1f s ILE 23 N 1.94 2.65 -0.03 3.12 -1.09 -0.04 -0.94 121.20 126.80 1i1f s ILE 23 Ca 0.02 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 1i1f s ILE 23 Cb -0.15 -1.99 0.01 0.00 -1.58 0.00 0.00 42.46 38.75 1i1f s ILE 23 CO -0.07 0.59 -0.04 0.00 -1.23 0.00 0.00 174.94 174.19 1i1f s ALA 24 N -0.67 0.53 0.16 9.38 0.00 0.40 -1.10 121.76 130.46 1i1f s ALA 24 Ca 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1i1f s ALA 24 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1i1f s ALA 24 CO -0.00 0.03 -0.11 0.14 0.00 0.00 0.00 175.76 175.82 1i1f s VAL 25 N 0.51 1.29 -0.04 0.00 -7.23 -0.45 -1.30 120.40 113.18 1i1f s VAL 25 Ca -0.06 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.00 1i1f s VAL 25 Cb -0.10 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 34.99 1i1f s VAL 25 CO -0.00 -0.71 0.10 -0.83 -0.31 0.00 0.00 175.10 173.34 1i1f s GLY 26 N -3.19 -0.00 0.18 2.32 0.00 -0.95 -1.58 107.32 104.10 1i1f s GLY 26 Ca 0.18 0.45 0.11 0.00 0.00 0.00 0.00 44.72 45.46 1i1f s GLY 26 CO 0.02 0.69 -0.23 -0.19 0.00 0.00 0.00 173.10 173.39 1i1f s TYR 27 N 0.83 2.18 -0.31 1.90 1.51 -0.45 -0.65 117.35 122.36 1i1f s TYR 27 Ca -0.07 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1i1f s TYR 27 Cb -0.09 -1.10 0.09 0.00 -0.11 0.00 0.00 41.96 40.76 1i1f s TYR 27 CO -0.03 0.44 0.05 0.08 -1.11 0.00 0.00 175.55 174.97 1i1f s VAL 28 N -1.66 1.61 0.00 0.71 1.01 0.24 -0.68 120.40 121.63 1i1f s VAL 28 Ca 0.18 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1i1f s VAL 28 Cb -0.08 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1i1f s VAL 28 CO 0.09 -0.55 0.00 0.47 0.00 0.00 0.00 175.10 175.11 1i1f n ASP 29 N 4.55 0.00 -0.43 3.32 9.92 0.26 -1.81 116.55 132.37 1i1f n ASP 29 Ca -0.01 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.28 1i1f n ASP 29 Cb 0.42 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.99 1i1f n ASP 29 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1i1f n ASP 30 N 3.27 1.21 -4.46 -2.24 9.92 -1.26 -4.82 116.55 118.17 1i1f n ASP 30 Ca 0.00 -2.03 -0.33 0.00 -0.53 0.00 0.00 54.79 51.89 1i1f n ASP 30 Cb 0.00 -0.19 -0.13 0.00 -0.64 0.00 0.00 41.12 40.16 1i1f n ASP 30 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1i1f s THR 31 N -1.70 3.63 -0.08 -3.53 2.01 -0.75 -5.00 115.64 110.22 1i1f s THR 31 Ca 0.13 -0.45 -0.25 0.00 0.31 0.00 0.00 61.69 61.43 1i1f s THR 31 Cb 0.07 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1i1f s THR 31 CO 0.08 0.50 0.80 -1.58 -0.69 0.00 0.00 174.62 173.74 1i1f s GLN 32 N 0.38 4.42 -0.05 4.92 0.74 -1.26 -0.59 119.66 128.22 1i1f s GLN 32 Ca -0.06 1.04 0.11 0.00 0.05 0.00 0.00 55.36 56.50 1i1f s GLN 32 Cb -0.15 -3.49 -0.16 0.00 1.10 0.00 0.00 33.01 30.32 1i1f s GLN 32 CO 0.04 -0.08 0.16 1.97 -0.55 0.00 0.00 175.29 176.82 1i1f n PHE 33 N 4.26 0.00 -3.94 1.67 1.16 0.18 -3.89 117.46 116.89 1i1f n PHE 33 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.51 1i1f n PHE 33 Cb 0.50 -0.37 -0.07 0.00 -1.61 0.00 0.00 39.48 37.93 1i1f n PHE 33 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1i1f s VAL 34 N -2.57 0.09 0.15 1.97 -7.23 -1.23 0.14 120.40 111.72 1i1f s VAL 34 Ca -0.05 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 1i1f s VAL 34 Cb 0.06 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1i1f s VAL 34 CO 0.46 -0.39 0.32 0.00 -0.31 0.00 0.00 175.10 175.18 1i1f s ARG 35 N -3.95 1.12 -0.08 4.82 1.70 -0.06 -2.23 118.95 120.28 1i1f s ARG 35 Ca 0.14 -1.02 -0.05 0.00 -0.47 0.00 0.00 55.73 54.34 1i1f s ARG 35 Cb 0.04 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.86 1i1f s ARG 35 CO -0.03 -0.42 0.18 0.12 -1.08 0.00 0.00 175.30 174.08 1i1f s PHE 36 N -3.91 -0.22 -0.11 5.89 5.36 -0.42 -0.73 117.98 123.84 1i1f s PHE 36 Ca 0.12 0.57 -0.03 0.00 -0.96 0.00 0.00 56.93 56.62 1i1f s PHE 36 Cb 0.03 0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.75 1i1f s PHE 36 CO -0.04 -0.16 0.05 0.34 -1.46 0.00 0.00 175.22 173.95 1i1f s ASP 37 N 0.84 1.82 0.40 6.13 -1.08 -1.26 -0.46 116.67 123.06 1i1f s ASP 37 Ca -0.06 -0.28 0.23 0.00 -0.52 0.00 0.00 52.55 51.92 1i1f s ASP 37 Cb -0.08 -0.29 1.26 0.00 -1.46 0.00 0.00 42.92 42.35 1i1f s ASP 37 CO -0.05 -0.28 1.68 0.77 0.52 0.00 0.00 175.17 177.82 1i1f h SER 38 N 8.39 0.00 -0.13 -0.34 4.64 -1.43 0.47 113.55 125.14 1i1f h SER 38 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1i1f h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i1f h SER 38 CO 0.24 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.67 1i1f n ASP 39 N -2.37 2.82 -4.83 4.97 9.92 -1.26 -4.92 116.55 120.89 1i1f n ASP 39 Ca -0.02 -1.85 -0.30 0.00 -0.53 0.00 0.00 54.79 52.09 1i1f n ASP 39 Cb 0.15 -0.07 0.06 0.00 -0.64 0.00 0.00 41.12 40.61 1i1f n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i1f s ALA 40 N -1.52 2.59 -0.09 2.24 0.00 0.16 -4.99 121.76 120.15 1i1f s ALA 40 Ca 0.26 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 1i1f s ALA 40 Cb 0.17 -3.11 -0.23 0.00 0.00 0.00 0.00 23.12 19.96 1i1f s ALA 40 CO 0.25 -1.36 0.94 0.00 0.00 0.00 0.00 175.76 175.60 1i1f h ALA 41 N -0.81 -0.02 -0.39 0.00 0.00 -1.95 -3.36 119.26 112.73 1i1f h ALA 41 Ca -0.45 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.14 1i1f h ALA 41 Cb 1.24 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1i1f h ALA 41 CO 0.60 -0.11 -0.46 0.66 0.00 0.00 0.00 179.25 179.93 1i1f h SER 42 N -0.81 -1.54 0.00 0.00 4.64 -1.95 -3.46 113.55 110.43 1i1f h SER 42 Ca -0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1i1f h SER 42 Cb 0.76 0.66 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1i1f h SER 42 CO 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 176.83 175.58 1i1f n GLN 43 N -5.41 0.00 -4.31 4.77 1.13 -1.26 -5.04 117.38 107.27 1i1f n GLN 43 Ca -0.02 0.06 -0.17 0.00 -1.94 0.00 0.00 57.00 54.94 1i1f n GLN 43 Cb 0.35 -3.15 -0.10 0.00 0.11 0.00 0.00 30.24 27.45 1i1f n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i1f s ARG 44 N -3.38 1.45 -0.04 -1.09 0.52 -1.26 -5.05 118.95 110.10 1i1f s ARG 44 Ca 0.00 -1.80 -0.30 0.00 -0.52 0.00 0.00 55.73 53.11 1i1f s ARG 44 Cb 0.00 -0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.33 1i1f s ARG 44 CO 0.00 -0.37 1.10 1.41 0.02 0.00 0.00 175.30 177.45 1i1f s MET 45 N -3.97 4.43 0.07 3.54 -2.45 -1.26 -4.66 119.30 115.00 1i1f s MET 45 Ca 0.37 1.55 0.04 0.00 -1.25 0.00 0.00 55.69 56.40 1i1f s MET 45 Cb 0.07 -3.50 -0.04 0.00 1.25 0.00 0.00 34.83 32.61 1i1f s MET 45 CO 0.15 -0.30 0.02 -1.21 1.05 0.00 0.00 175.02 174.73 1i1f s GLU 46 N 1.72 2.67 0.27 4.11 2.02 0.09 -4.94 118.70 124.64 1i1f s GLU 46 Ca 0.53 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.47 1i1f s GLU 46 Cb -0.23 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 1i1f s GLU 46 CO 0.23 0.56 0.99 -1.25 0.02 0.00 0.00 175.26 175.81 1i1f s PRO 47 N -2.19 4.72 0.00 0.39 0.04 -1.26 -0.88 135.00 135.82 1i1f s PRO 47 Ca 0.25 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1i1f s PRO 47 Cb -0.12 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1i1f s PRO 47 CO 0.18 0.37 0.45 0.54 0.04 0.00 0.00 177.00 178.57 1i1f n ARG 48 N 1.20 -0.30 -4.46 4.56 5.12 0.36 -4.82 116.66 118.32 1i1f n ARG 48 Ca -0.01 -0.50 -0.20 0.00 -1.93 0.00 0.00 57.85 55.21 1i1f n ARG 48 Cb 0.47 -0.87 -0.15 0.00 -1.16 0.00 0.00 32.46 30.75 1i1f n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i1f s ALA 49 N -0.11 0.88 0.40 7.54 0.00 -1.09 -4.73 121.76 124.65 1i1f s ALA 49 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1i1f s ALA 49 Cb 0.00 -0.23 0.85 0.00 0.00 0.00 0.00 23.12 23.74 1i1f s ALA 49 CO 0.00 0.21 2.00 -1.00 0.00 0.00 0.00 175.76 176.97 1i1f h PRO 50 N 5.90 0.59 0.00 0.00 0.13 -1.93 -2.28 132.00 134.41 1i1f h PRO 50 Ca -0.32 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1i1f h PRO 50 Cb 1.17 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1i1f h PRO 50 CO 0.49 0.39 0.00 -2.67 -0.23 0.00 0.00 178.00 175.99 1i1f n TRP 51 N -4.47 0.00 0.14 1.56 4.27 -1.26 -2.69 117.44 114.99 1i1f n TRP 51 Ca 0.08 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.76 1i1f n TRP 51 Cb 0.20 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.04 1i1f n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1i1f n ILE 52 N -0.91 0.00 0.22 -1.67 0.13 -0.86 -4.34 119.36 111.93 1i1f n ILE 52 Ca 0.17 -0.29 0.18 0.00 -1.10 0.00 0.00 62.75 61.70 1i1f n ILE 52 Cb 0.08 0.36 0.85 0.00 -0.84 0.00 0.00 39.64 40.08 1i1f n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i1f h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.52 0.58 114.58 128.23 1i1f h GLU 53 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1i1f h GLU 53 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1i1f h GLU 53 CO 0.00 0.00 -0.30 -0.56 -1.00 0.00 0.00 179.01 177.15 1i1f h GLN 54 N 0.00 0.00 -6.67 2.33 3.07 -1.76 -3.45 115.11 108.63 1i1f h GLN 54 Ca 0.08 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.24 1i1f h GLN 54 Cb 0.55 0.00 0.13 0.00 0.08 0.00 0.00 27.48 28.24 1i1f h GLN 54 CO -0.00 0.30 0.25 0.39 0.09 0.00 0.00 178.83 179.87 1i1f n GLU 55 N -3.76 1.53 -1.45 0.06 -0.58 0.20 -4.96 120.64 111.68 1i1f n GLU 55 Ca -0.01 0.54 -0.29 0.00 -0.42 0.00 0.00 57.16 56.98 1i1f n GLU 55 Cb 0.40 -2.11 0.15 0.00 -0.57 0.00 0.00 31.44 29.31 1i1f n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1i1f s GLY 56 N -0.64 1.58 0.43 0.62 0.00 -1.26 -4.89 107.32 103.16 1i1f s GLY 56 Ca 0.62 -0.55 0.12 0.00 0.00 0.00 0.00 44.72 44.90 1i1f s GLY 56 CO 0.58 0.05 2.01 -0.56 0.00 0.00 0.00 173.10 175.17 1i1f h PRO 57 N -1.66 0.44 -0.60 2.90 0.13 -1.98 -2.64 132.00 128.59 1i1f h PRO 57 Ca -0.51 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 1i1f h PRO 57 Cb 1.33 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1i1f h PRO 57 CO 0.58 0.29 0.07 1.49 -0.23 0.00 0.00 178.00 180.20 1i1f h GLU 58 N 0.45 1.00 -0.02 0.86 4.57 -1.98 -1.84 114.58 117.62 1i1f h GLU 58 Ca 0.23 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1i1f h GLU 58 Cb 0.33 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1i1f h GLU 58 CO -0.06 0.96 -0.11 -0.92 -1.18 0.00 0.00 179.01 177.70 1i1f h TYR 59 N 0.90 -0.28 -0.62 0.92 3.20 -1.84 0.12 116.97 119.38 1i1f h TYR 59 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1i1f h TYR 59 Cb 0.46 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1i1f h TYR 59 CO 0.03 -0.17 0.30 -1.49 -1.64 0.00 0.00 178.16 175.19 1i1f h TRP 60 N -0.18 0.86 0.40 -3.82 4.06 -1.55 0.65 115.95 116.38 1i1f h TRP 60 Ca 0.05 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 1i1f h TRP 60 Cb 0.24 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1i1f h TRP 60 CO -0.18 0.63 -0.19 -0.44 -3.56 0.00 0.00 178.44 174.70 1i1f h ASP 61 N 0.87 -0.45 -0.22 -3.49 5.19 -1.03 -1.15 116.42 116.15 1i1f h ASP 61 Ca 0.22 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1i1f h ASP 61 Cb 0.09 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 1i1f h ASP 61 CO -0.03 -0.15 0.05 1.23 -3.12 0.00 0.00 179.24 177.21 1i1f h GLY 62 N -0.77 0.48 2.00 2.75 0.00 -0.43 -1.33 103.07 105.78 1i1f h GLY 62 Ca -0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1i1f h GLY 62 CO 0.09 0.24 -0.70 0.83 0.00 0.00 0.00 176.54 176.99 1i1f h GLU 63 N 0.44 0.00 -0.00 4.80 4.39 -0.89 -2.03 114.58 121.29 1i1f h GLU 63 Ca 0.10 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.60 1i1f h GLU 63 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1i1f h GLU 63 CO 0.00 0.70 -0.88 1.15 -1.16 0.00 0.00 179.01 178.82 1i1f h THR 64 N 0.00 1.47 0.48 1.13 2.02 -0.70 -0.88 112.91 116.44 1i1f h THR 64 Ca -0.01 -2.56 -0.02 0.00 0.77 0.00 0.00 66.41 64.59 1i1f h THR 64 Cb 1.48 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1i1f h THR 64 CO 0.09 0.75 -0.23 -0.09 0.37 0.00 0.00 175.52 176.41 1i1f h ARG 65 N 0.14 -0.63 -0.50 6.66 2.43 -1.16 -2.80 114.38 118.52 1i1f h ARG 65 Ca -0.05 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1i1f h ARG 65 Cb 1.51 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 31.17 1i1f h ARG 65 CO 0.14 -0.34 0.32 0.87 -1.51 0.00 0.00 179.97 179.46 1i1f h LYS 66 N -0.84 0.64 -0.94 0.20 1.57 -1.41 -1.85 116.57 113.94 1i1f h LYS 66 Ca -0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1i1f h LYS 66 Cb 0.58 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1i1f h LYS 66 CO 0.11 0.43 0.57 -0.24 -0.57 0.00 0.00 179.45 179.75 1i1f h VAL 67 N 0.66 1.26 0.00 0.50 3.04 -1.16 -0.21 116.25 120.34 1i1f h VAL 67 Ca 0.18 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1i1f h VAL 67 Cb -0.06 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.14 1i1f h VAL 67 CO -0.05 0.27 -0.36 0.07 -1.01 0.00 0.00 177.57 176.49 1i1f h LYS 68 N 1.30 0.00 0.52 4.17 2.10 -1.46 -2.20 116.57 121.00 1i1f h LYS 68 Ca 0.34 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.96 1i1f h LYS 68 Cb -0.07 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1i1f h LYS 68 CO -0.06 0.00 -0.25 0.00 -2.00 0.00 0.00 179.45 177.14 1i1f h ALA 69 N 2.16 -0.70 -0.40 0.07 0.00 -0.35 -0.47 119.26 119.57 1i1f h ALA 69 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1i1f h ALA 69 Cb 0.92 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 1i1f h ALA 69 CO 0.00 -0.88 -0.30 0.45 0.00 0.00 0.00 179.25 178.51 1i1f h HIS 70 N -0.71 -0.83 -0.64 0.00 3.86 -1.10 -0.56 115.15 115.17 1i1f h HIS 70 Ca -0.07 0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1i1f h HIS 70 Cb 0.54 0.42 -0.12 0.00 1.06 0.00 0.00 27.41 29.32 1i1f h HIS 70 CO -0.04 -0.37 -0.34 1.03 0.86 0.00 0.00 177.93 179.08 1i1f h SER 71 N -0.23 -1.17 -0.05 2.45 0.87 -1.21 0.35 113.55 114.56 1i1f h SER 71 Ca 0.18 0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.98 1i1f h SER 71 Cb 0.52 0.59 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1i1f h SER 71 CO -0.53 -0.30 0.01 1.56 -0.53 0.00 0.00 176.83 177.04 1i1f h GLN 72 N -0.14 0.03 -0.75 2.24 1.08 -0.19 -0.64 115.11 116.74 1i1f h GLN 72 Ca 0.25 -0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.60 1i1f h GLN 72 Cb 0.55 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.88 1i1f h GLN 72 CO -0.71 0.02 0.26 1.15 -0.95 0.00 0.00 178.83 178.59 1i1f h THR 73 N 0.03 0.59 0.00 -0.54 2.02 -0.16 0.30 112.91 115.15 1i1f h THR 73 Ca 0.02 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1i1f h THR 73 Cb 0.02 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1i1f h THR 73 CO -0.03 0.07 -0.03 0.45 0.37 0.00 0.00 175.52 176.34 1i1f h HIS 74 N 0.37 0.00 0.02 3.16 3.86 0.38 0.15 115.15 123.09 1i1f h HIS 74 Ca 0.42 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.43 1i1f h HIS 74 Cb 0.69 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1i1f h HIS 74 CO -0.20 0.03 -0.95 -0.09 0.86 0.00 0.00 177.93 177.58 1i1f h ARG 75 N 0.00 0.07 0.06 2.45 2.43 0.11 -2.57 114.38 116.93 1i1f h ARG 75 Ca -0.00 -0.10 -0.26 0.00 -0.81 0.00 0.00 59.98 58.81 1i1f h ARG 75 Cb 0.48 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1i1f h ARG 75 CO 0.00 0.96 -1.06 0.28 -1.51 0.00 0.00 179.97 178.65 1i1f h VAL 76 N 0.03 1.32 -0.82 0.20 2.07 -0.89 -3.30 116.25 114.85 1i1f h VAL 76 Ca -0.03 -2.33 0.08 0.00 0.82 0.00 0.00 66.70 65.24 1i1f h VAL 76 Cb 1.64 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 33.95 1i1f h VAL 76 CO 0.13 0.71 0.48 0.44 0.02 0.00 0.00 177.57 179.35 1i1f h ASP 77 N 0.22 0.71 -0.88 0.57 3.32 -0.90 0.08 116.42 119.55 1i1f h ASP 77 Ca -0.15 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.05 1i1f h ASP 77 Cb 1.74 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 41.10 1i1f h ASP 77 CO 0.20 0.43 0.51 -0.07 -1.72 0.00 0.00 179.24 178.59 1i1f h LEU 78 N 0.84 0.72 -0.62 1.55 3.38 -1.53 -2.29 115.31 117.35 1i1f h LEU 78 Ca 0.38 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.26 1i1f h LEU 78 Cb 0.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1i1f h LEU 78 CO -0.22 0.39 -0.53 1.23 0.09 0.00 0.00 178.44 179.40 1i1f h GLY 79 N 0.82 0.48 0.40 0.83 0.00 -1.11 -2.88 103.07 101.60 1i1f h GLY 79 Ca 0.43 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1i1f h GLY 79 CO -0.27 0.48 -0.03 -0.84 0.00 0.00 0.00 176.54 175.89 1i1f h THR 80 N 0.34 1.50 -0.78 4.70 2.02 -0.90 -2.58 112.91 117.21 1i1f h THR 80 Ca 0.01 -1.50 0.07 0.00 0.77 0.00 0.00 66.41 65.75 1i1f h THR 80 Cb 1.04 2.50 -0.05 0.00 -1.74 0.00 0.00 68.15 69.90 1i1f h THR 80 CO 0.09 0.39 0.51 -0.07 0.37 0.00 0.00 175.52 176.82 1i1f h LEU 81 N -0.59 0.74 -0.17 2.58 4.07 -1.53 0.70 115.31 121.10 1i1f h LEU 81 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1i1f h LEU 81 Cb 0.66 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1i1f h LEU 81 CO 0.01 0.47 0.11 -0.09 -1.08 0.00 0.00 178.44 177.86 1i1f h ARG 82 N 0.84 0.23 -0.23 1.13 2.43 -1.52 0.44 114.38 117.69 1i1f h ARG 82 Ca 0.34 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1i1f h ARG 82 Cb 0.25 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1i1f h ARG 82 CO -0.12 0.16 -0.04 0.78 -1.51 0.00 0.00 179.97 179.25 1i1f h GLY 83 N 0.23 0.46 0.57 2.80 0.00 -0.62 0.27 103.07 106.77 1i1f h GLY 83 Ca 0.06 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.10 1i1f h GLY 83 CO -0.01 0.34 0.26 -0.97 0.00 0.00 0.00 176.54 176.15 1i1f h TYR 84 N 0.17 0.47 -0.14 5.60 0.05 0.68 -1.05 116.97 122.75 1i1f h TYR 84 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1i1f h TYR 84 Cb 0.48 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1i1f h TYR 84 CO 0.05 0.19 0.00 0.66 -1.05 0.00 0.00 178.16 178.00 1i1f n TYR 85 N -4.92 0.17 -3.56 4.88 4.01 0.15 -4.94 117.16 112.95 1i1f n TYR 85 Ca 0.07 -0.08 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1i1f n TYR 85 Cb 0.20 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.29 1i1f n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1i1f n ASN 86 N 0.50 -1.79 -4.91 7.72 5.15 0.62 -4.95 115.26 117.59 1i1f n ASN 86 Ca 0.17 -0.73 -0.31 0.00 -0.60 0.00 0.00 54.58 53.12 1i1f n ASN 86 Cb 0.39 -4.57 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 1i1f n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i1f s GLN 87 N -5.64 3.56 0.94 1.20 -0.21 0.63 -5.03 119.66 115.11 1i1f s GLN 87 Ca 0.02 -0.21 -0.10 0.00 0.02 0.00 0.00 55.36 55.09 1i1f s GLN 87 Cb -0.00 -2.89 0.16 0.00 1.00 0.00 0.00 33.01 31.28 1i1f s GLN 87 CO 0.77 0.48 1.13 0.45 -2.12 0.00 0.00 175.29 176.01 1i1f s SER 88 N -2.59 2.78 0.00 5.90 0.15 -1.26 -4.80 113.70 113.87 1i1f s SER 88 Ca 0.39 2.09 0.21 0.00 0.70 0.00 0.00 55.95 59.34 1i1f s SER 88 Cb -0.12 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.19 1i1f s SER 88 CO 0.26 -3.17 1.45 1.21 1.20 0.00 0.00 173.24 174.18 1i1f n GLU 89 N -4.27 2.22 0.06 5.44 2.13 -1.26 -4.09 120.64 120.87 1i1f n GLU 89 Ca 0.11 -1.86 -0.04 0.00 0.66 0.00 0.00 57.16 56.03 1i1f n GLU 89 Cb 0.52 -1.46 -0.08 0.00 0.27 0.00 0.00 31.44 30.69 1i1f n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i1f h ALA 90 N 4.28 0.55 -2.93 4.31 0.00 -1.99 -3.45 119.26 120.03 1i1f h ALA 90 Ca 0.00 -0.90 -0.67 0.00 0.00 0.00 0.00 54.91 53.34 1i1f h ALA 90 Cb 0.79 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1i1f h ALA 90 CO 0.00 1.12 -0.54 0.20 0.00 0.00 0.00 179.25 180.03 1i1f s GLY 91 N -4.74 2.04 0.31 0.00 0.00 -1.26 -4.65 107.32 99.02 1i1f s GLY 91 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 1i1f s GLY 91 CO 0.80 -0.49 1.31 -0.45 0.00 0.00 0.00 173.10 174.27 1i1f s SER 92 N -1.08 6.79 0.16 1.64 0.15 -1.26 -4.86 113.70 115.23 1i1f s SER 92 Ca 0.16 2.65 0.06 0.00 0.70 0.00 0.00 55.95 59.52 1i1f s SER 92 Cb -0.12 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1i1f s SER 92 CO 0.05 -0.54 -0.13 -1.00 1.20 0.00 0.00 173.24 172.82 1i1f s HIS 93 N -0.93 1.44 -0.07 3.44 3.76 -1.26 -4.94 115.29 116.72 1i1f s HIS 93 Ca 0.50 -0.63 0.05 0.00 -0.15 0.00 0.00 55.06 54.83 1i1f s HIS 93 Cb -0.39 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.57 1i1f s HIS 93 CO 0.50 0.18 -0.24 0.99 -0.85 0.00 0.00 174.74 175.33 1i1f s THR 94 N -2.81 2.01 0.05 1.30 2.01 -1.26 -1.88 115.64 115.05 1i1f s THR 94 Ca 0.16 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.18 1i1f s THR 94 Cb -0.01 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1i1f s THR 94 CO 0.03 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.76 1i1f s VAL 95 N 0.06 3.62 -0.05 3.82 1.01 0.29 0.40 120.40 129.55 1i1f s VAL 95 Ca -0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 1i1f s VAL 95 Cb -0.15 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1i1f s VAL 95 CO 0.06 0.27 0.11 -1.10 0.00 0.00 0.00 175.10 174.44 1i1f s GLN 96 N -1.77 0.10 0.01 2.72 -0.21 -0.55 -1.83 119.66 118.12 1i1f s GLN 96 Ca 0.20 0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.82 1i1f s GLN 96 Cb -0.11 -0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.84 1i1f s GLN 96 CO 0.11 -0.08 -0.06 0.50 -2.12 0.00 0.00 175.29 173.64 1i1f s ARG 97 N 0.51 0.43 -0.07 2.91 3.52 -0.82 0.17 118.95 125.60 1i1f s ARG 97 Ca -0.04 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.18 1i1f s ARG 97 Cb -0.05 -0.35 0.04 0.00 -1.56 0.00 0.00 34.95 33.03 1i1f s ARG 97 CO -0.02 0.09 0.16 1.41 -0.81 0.00 0.00 175.30 176.12 1i1f s MET 98 N -0.56 0.09 0.04 5.12 1.75 0.37 -0.43 119.30 125.68 1i1f s MET 98 Ca -0.02 0.43 -0.04 0.00 -1.25 0.00 0.00 55.69 54.81 1i1f s MET 98 Cb -0.04 -0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.42 1i1f s MET 98 CO -0.00 -0.20 0.07 1.52 -0.65 0.00 0.00 175.02 175.76 1i1f s TYR 99 N 1.44 0.26 -2.30 4.11 -0.85 -1.08 0.15 117.35 119.09 1i1f s TYR 99 Ca -0.06 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 55.87 1i1f s TYR 99 Cb -0.12 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.04 1i1f s TYR 99 CO -0.06 -0.36 0.00 0.41 -1.52 0.00 0.00 175.55 174.01 1i1f n GLY 100 N 0.66 -1.49 3.03 5.49 0.00 -0.90 0.04 105.19 112.01 1i1f n GLY 100 Ca -0.18 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 1i1f n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1f s ASP 102 N -0.84 4.90 0.08 0.00 1.01 0.89 -2.24 116.67 120.46 1i1f s ASP 102 Ca -0.09 0.03 0.09 0.00 0.71 0.00 0.00 52.55 53.28 1i1f s ASP 102 Cb -0.05 -1.28 -0.03 0.00 1.01 0.00 0.00 42.92 42.56 1i1f s ASP 102 CO 0.00 0.35 -0.23 0.68 0.21 0.00 0.00 175.17 176.18 1i1f s VAL 103 N -0.88 1.90 0.00 -1.27 -7.23 0.25 0.51 120.40 113.67 1i1f s VAL 103 Ca 0.14 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1i1f s VAL 103 Cb -0.11 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1i1f s VAL 103 CO 0.03 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1i1f n GLY 104 N 1.41 -1.20 0.27 2.32 0.00 -0.81 -1.06 105.19 106.13 1i1f n GLY 104 Ca -0.18 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1i1f n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i1f h SER 105 N -0.06 0.00 -0.04 1.61 4.64 -1.89 -0.58 113.55 117.23 1i1f h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i1f h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i1f h SER 105 CO 0.00 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.12 1i1f n ASP 106 N -3.94 0.73 -0.91 4.97 5.68 -1.26 -4.68 116.55 117.13 1i1f n ASP 106 Ca -0.03 -1.38 -0.10 0.00 -0.50 0.00 0.00 54.79 52.79 1i1f n ASP 106 Cb 0.14 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 1i1f n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i1f n TRP 107 N -0.37 -0.22 -4.48 2.11 7.02 -0.22 -4.99 117.44 116.29 1i1f n TRP 107 Ca 0.19 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.32 1i1f n TRP 107 Cb 0.21 -2.12 -0.10 0.00 -2.42 0.00 0.00 31.31 26.87 1i1f n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i1f s ARG 108 N -3.60 2.91 -0.17 -0.99 0.52 -1.26 -4.84 118.95 111.51 1i1f s ARG 108 Ca 0.00 -0.47 -0.38 0.00 -0.52 0.00 0.00 55.73 54.36 1i1f s ARG 108 Cb 0.00 -2.71 -0.18 0.00 0.52 0.00 0.00 34.95 32.58 1i1f s ARG 108 CO 0.00 0.67 1.14 0.34 0.02 0.00 0.00 175.30 177.47 1i1f n PHE 109 N 2.23 0.97 -0.03 -0.53 7.35 -1.26 -1.93 117.46 124.25 1i1f n PHE 109 Ca -0.18 0.98 -0.05 0.00 -0.76 0.00 0.00 57.45 57.44 1i1f n PHE 109 Cb 0.53 -1.92 -0.02 0.00 0.35 0.00 0.00 39.48 38.42 1i1f n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i1f n LEU 110 N 2.22 1.48 -3.49 -2.13 7.94 0.18 -4.78 117.00 118.42 1i1f n LEU 110 Ca 0.22 0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 55.01 1i1f n LEU 110 Cb 0.02 -0.17 -0.04 0.00 0.53 0.00 0.00 43.42 43.76 1i1f n LEU 110 CO 0.65 0.31 0.51 0.00 -1.11 0.00 0.00 177.39 177.75 1i1f s ARG 111 N -2.10 1.03 -0.00 1.96 1.70 -0.94 -4.97 118.95 115.63 1i1f s ARG 111 Ca -0.07 -0.07 0.03 0.00 -0.47 0.00 0.00 55.73 55.15 1i1f s ARG 111 Cb 0.02 0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1i1f s ARG 111 CO 0.11 -0.39 -0.10 0.20 -1.08 0.00 0.00 175.30 174.03 1i1f s GLY 112 N -1.87 0.52 0.03 3.88 0.00 -1.26 -0.08 107.32 108.54 1i1f s GLY 112 Ca -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 44.72 44.16 1i1f s GLY 112 CO -0.01 -0.40 0.08 -2.52 0.00 0.00 0.00 173.10 170.24 1i1f s TYR 113 N -0.31 0.20 -0.29 1.90 -0.85 0.05 -4.79 117.35 113.28 1i1f s TYR 113 Ca 0.03 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.12 1i1f s TYR 113 Cb -0.04 -0.15 0.17 0.00 0.38 0.00 0.00 41.96 42.32 1i1f s TYR 113 CO -0.00 -0.34 0.45 -1.58 -1.52 0.00 0.00 175.55 172.56 1i1f s HIS 114 N -2.40 -1.20 0.11 -3.49 2.46 -1.26 -2.12 115.29 107.40 1i1f s HIS 114 Ca -0.07 0.61 0.10 0.00 0.47 0.00 0.00 55.06 56.17 1i1f s HIS 114 Cb -0.02 -0.00 -0.04 0.00 -0.13 0.00 0.00 32.58 32.39 1i1f s HIS 114 CO -0.04 -0.97 -0.22 -0.65 -2.47 0.00 0.00 174.74 170.39 1i1f s GLN 115 N 2.62 1.65 -0.02 2.88 -0.21 0.12 -1.33 119.66 125.38 1i1f s GLN 115 Ca 0.11 -1.23 -0.01 0.00 0.02 0.00 0.00 55.36 54.25 1i1f s GLN 115 Cb -0.12 -2.02 0.01 0.00 1.00 0.00 0.00 33.01 31.87 1i1f s GLN 115 CO -0.27 0.48 0.04 -0.47 -2.12 0.00 0.00 175.29 172.94 1i1f s TYR 116 N -1.07 -0.04 0.08 0.91 6.14 -0.46 -0.48 117.35 122.44 1i1f s TYR 116 Ca 0.16 0.12 0.03 0.00 0.64 0.00 0.00 57.07 58.01 1i1f s TYR 116 Cb -0.10 -0.02 -0.03 0.00 0.42 0.00 0.00 41.96 42.23 1i1f s TYR 116 CO 0.07 -0.03 -0.08 0.00 0.64 0.00 0.00 175.55 176.15 1i1f s ALA 117 N 0.17 0.89 -0.09 3.97 0.00 0.13 -1.03 121.76 125.79 1i1f s ALA 117 Ca -0.01 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1i1f s ALA 117 Cb -0.02 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1i1f s ALA 117 CO -0.00 -0.08 -0.14 -0.47 0.00 0.00 0.00 175.76 175.07 1i1f s TYR 118 N -2.33 1.76 -1.49 0.00 5.04 -0.56 -1.48 117.35 118.29 1i1f s TYR 118 Ca 0.01 -0.74 -0.02 0.00 -2.44 0.00 0.00 57.07 53.88 1i1f s TYR 118 Cb -0.04 -1.27 0.02 0.00 0.35 0.00 0.00 41.96 41.02 1i1f s TYR 118 CO -0.01 -0.38 0.33 -0.25 -1.34 0.00 0.00 175.55 173.90 1i1f n ASP 119 N 3.99 -0.22 0.00 4.32 8.00 0.16 -1.12 116.55 131.68 1i1f n ASP 119 Ca -0.20 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1i1f n ASP 119 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 1i1f n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1f n GLY 120 N -2.09 0.58 3.33 0.44 0.00 -1.26 -5.00 105.19 101.18 1i1f n GLY 120 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1i1f n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1f s LYS 121 N -0.35 1.93 0.02 1.61 1.02 -0.28 -5.08 119.74 118.62 1i1f s LYS 121 Ca 0.00 -1.03 -0.38 0.00 0.02 0.00 0.00 55.97 54.58 1i1f s LYS 121 Cb 0.00 -2.00 -0.17 0.00 -0.52 0.00 0.00 37.83 35.14 1i1f s LYS 121 CO 0.00 0.53 1.37 -0.25 -0.92 0.00 0.00 175.35 176.08 1i1f n ASP 122 N 2.07 1.56 -0.00 2.83 8.00 -1.26 -1.49 116.55 128.25 1i1f n ASP 122 Ca -0.16 1.12 -0.02 0.00 0.71 0.00 0.00 54.79 56.44 1i1f n ASP 122 Cb 0.52 -1.15 -0.01 0.00 -0.02 0.00 0.00 41.12 40.46 1i1f n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1f n TYR 123 N 2.82 0.00 -3.82 1.24 9.36 -0.20 -4.74 117.16 121.82 1i1f n TYR 123 Ca 0.20 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.30 1i1f n TYR 123 Cb 0.17 -0.09 -0.11 0.00 -0.63 0.00 0.00 39.34 38.68 1i1f n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i1f s ILE 124 N -1.57 0.04 -0.00 2.97 2.07 -1.02 -2.33 121.20 121.35 1i1f s ILE 124 Ca -0.05 -0.30 -0.14 0.00 -1.41 0.00 0.00 60.65 58.75 1i1f s ILE 124 Cb 0.01 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 42.22 1i1f s ILE 124 CO 0.08 -0.17 0.29 0.00 -1.91 0.00 0.00 174.94 173.23 1i1f s ALA 125 N -0.60 -0.71 -0.08 1.50 0.00 -0.92 -1.35 121.76 119.61 1i1f s ALA 125 Ca -0.07 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 1i1f s ALA 125 Cb -0.04 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1i1f s ALA 125 CO 0.01 -0.28 0.66 -1.17 0.00 0.00 0.00 175.76 174.97 1i1f s LEU 126 N -1.48 4.31 0.92 0.00 2.96 -0.44 -0.39 118.68 124.56 1i1f s LEU 126 Ca -0.12 1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.78 1i1f s LEU 126 Cb -0.05 -3.00 0.14 0.00 0.50 0.00 0.00 46.19 43.79 1i1f s LEU 126 CO 0.02 -0.10 1.11 -0.54 -1.32 0.00 0.00 176.35 175.53 1i1f s LYS 127 N 0.78 1.05 0.60 1.98 -0.14 -0.31 -4.56 119.74 119.14 1i1f s LYS 127 Ca 0.35 0.48 0.35 0.00 -1.36 0.00 0.00 55.97 55.79 1i1f s LYS 127 Cb -0.17 -1.81 1.90 0.00 -1.68 0.00 0.00 37.83 36.06 1i1f s LYS 127 CO 0.16 -2.30 2.21 1.49 -0.76 0.00 0.00 175.35 176.16 1i1f h GLU 128 N -1.58 0.00 -0.00 1.68 4.81 -1.89 -1.24 114.58 116.36 1i1f h GLU 128 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1i1f h GLU 128 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1i1f h GLU 128 CO 0.59 0.03 -0.00 -0.40 -0.73 0.00 0.00 179.01 178.50 1i1f n ASP 129 N -3.39 0.01 -2.30 1.04 5.75 -1.26 -4.79 116.55 111.61 1i1f n ASP 129 Ca -0.02 -0.02 -0.15 0.00 -0.01 0.00 0.00 54.79 54.59 1i1f n ASP 129 Cb 0.15 -0.32 -0.01 0.00 -1.03 0.00 0.00 41.12 39.90 1i1f n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1i1f n LEU 130 N -1.32 -1.39 0.00 -2.12 4.77 -0.47 -4.70 117.00 111.77 1i1f n LEU 130 Ca 0.13 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1i1f n LEU 130 Cb 0.26 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 1i1f n LEU 130 CO 0.24 -0.24 0.03 0.54 -1.33 0.00 0.00 177.39 176.63 1i1f n ARG 131 N -2.77 -0.12 -3.69 3.23 1.74 -1.26 -4.57 116.66 109.22 1i1f n ARG 131 Ca -0.18 -0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.70 1i1f n ARG 131 Cb 0.62 -0.56 -0.07 0.00 -1.02 0.00 0.00 32.46 31.43 1i1f n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i1f s SER 132 N -0.00 -0.30 0.08 0.55 1.04 -1.26 -5.04 113.70 108.77 1i1f s SER 132 Ca 0.00 0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.64 1i1f s SER 132 Cb 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1i1f s SER 132 CO 0.00 -0.55 -0.06 0.26 0.98 0.00 0.00 173.24 173.87 1i1f s TRP 133 N -1.73 2.86 -0.45 5.02 0.52 -1.26 -1.17 118.94 122.73 1i1f s TRP 133 Ca -0.10 -0.09 -0.12 0.00 0.02 0.00 0.00 56.10 55.81 1i1f s TRP 133 Cb -0.03 -1.50 0.08 0.00 -1.15 0.00 0.00 33.47 30.88 1i1f s TRP 133 CO 0.03 0.44 0.34 0.99 0.02 0.00 0.00 176.95 178.77 1i1f s THR 134 N -1.22 4.74 0.06 2.01 2.01 0.48 -4.94 115.64 118.78 1i1f s THR 134 Ca 0.23 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.79 1i1f s THR 134 Cb -0.11 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 1i1f s THR 134 CO 0.15 -0.58 0.49 0.00 -0.69 0.00 0.00 174.62 173.99 1i1f s ALA 135 N 1.53 3.64 -0.23 7.40 0.00 -1.26 -2.16 121.76 130.68 1i1f s ALA 135 Ca 0.04 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 1i1f s ALA 135 Cb -0.24 -2.49 -0.13 0.00 0.00 0.00 0.00 23.12 20.26 1i1f s ALA 135 CO 0.04 0.45 -0.13 0.00 0.00 0.00 0.00 175.76 176.13 1i1f n ALA 136 N 1.52 0.93 -4.37 0.00 0.00 -0.99 -4.95 120.51 112.66 1i1f n ALA 136 Ca -0.11 -0.77 -0.22 0.00 0.00 0.00 0.00 53.44 52.34 1i1f n ALA 136 Cb 0.52 -0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1i1f n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1i1f n ASP 137 N -4.38 2.02 -0.12 0.00 5.68 -1.26 -5.01 116.55 113.47 1i1f n ASP 137 Ca -0.37 -2.62 0.04 0.00 -0.50 0.00 0.00 54.79 51.35 1i1f n ASP 137 Cb 0.71 0.53 0.36 0.00 -1.14 0.00 0.00 41.12 41.58 1i1f n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1i1f h MET 138 N 0.00 0.71 -0.64 0.11 2.86 -1.98 -1.49 114.93 114.50 1i1f h MET 138 Ca -0.27 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1i1f h MET 138 Cb 0.92 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1i1f h MET 138 CO 0.44 0.47 0.17 0.00 1.06 0.00 0.00 176.91 179.05 1i1f h ALA 139 N 1.64 0.85 0.00 6.32 0.00 -1.96 -0.88 119.26 125.23 1i1f h ALA 139 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1i1f h ALA 139 Cb 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1i1f h ALA 139 CO -0.06 0.55 -0.17 0.00 0.00 0.00 0.00 179.25 179.57 1i1f h ALA 140 N 1.06 1.34 0.00 0.00 0.00 -1.69 -2.21 119.26 117.77 1i1f h ALA 140 Ca 0.20 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1i1f h ALA 140 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i1f h ALA 140 CO -0.00 0.21 -0.91 0.37 0.00 0.00 0.00 179.25 178.92 1i1f h GLN 141 N 0.00 0.29 -0.31 0.00 4.15 -0.23 0.14 115.11 119.16 1i1f h GLN 141 Ca -0.00 -0.32 -0.17 0.00 0.77 0.00 0.00 58.65 58.93 1i1f h GLN 141 Cb 0.40 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1i1f h GLN 141 CO 0.02 1.02 -0.47 1.15 -1.93 0.00 0.00 178.83 178.62 1i1f h THR 142 N 0.16 1.28 -0.57 2.39 2.02 -0.85 -1.73 112.91 115.62 1i1f h THR 142 Ca -0.06 -1.66 -0.06 0.00 0.77 0.00 0.00 66.41 65.40 1i1f h THR 142 Cb 1.54 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 1i1f h THR 142 CO 0.15 0.54 0.13 0.74 0.37 0.00 0.00 175.52 177.44 1i1f h THR 143 N 0.65 1.24 -0.17 3.16 2.02 -1.33 -2.15 112.91 116.33 1i1f h THR 143 Ca 0.03 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1i1f h THR 143 Cb 1.06 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1i1f h THR 143 CO 0.11 0.33 0.09 0.50 0.37 0.00 0.00 175.52 176.92 1i1f h LYS 144 N 0.86 0.24 0.19 6.66 3.64 -0.69 0.44 116.57 127.90 1i1f h LYS 144 Ca 0.18 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1i1f h LYS 144 Cb 0.33 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1i1f h LYS 144 CO 0.00 0.24 -0.20 0.45 -2.27 0.00 0.00 179.45 177.66 1i1f h HIS 145 N 0.17 -0.54 -0.62 1.91 3.86 -1.11 0.26 115.15 119.09 1i1f h HIS 145 Ca 0.06 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.40 1i1f h HIS 145 Cb 0.07 0.21 -0.09 0.00 1.06 0.00 0.00 27.41 28.66 1i1f h HIS 145 CO -0.04 -0.30 0.10 0.87 0.86 0.00 0.00 177.93 179.42 1i1f h LYS 146 N -0.43 0.21 0.00 2.45 1.57 -1.32 0.16 116.57 119.21 1i1f h LYS 146 Ca 0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1i1f h LYS 146 Cb 0.41 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1i1f h LYS 146 CO -0.06 0.14 -0.48 -1.49 -0.57 0.00 0.00 179.45 176.99 1i1f h TRP 147 N 0.22 0.00 0.01 -1.35 4.06 -0.32 -2.16 115.95 116.41 1i1f h TRP 147 Ca 0.33 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.28 1i1f h TRP 147 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1i1f h TRP 147 CO -0.28 0.48 -0.00 0.93 -3.56 0.00 0.00 178.44 176.00 1i1f h GLU 148 N 0.00 -0.01 -0.67 0.49 5.08 0.18 -0.95 114.58 118.70 1i1f h GLU 148 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1i1f h GLU 148 Cb 0.96 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1i1f h GLU 148 CO 0.06 0.27 0.33 0.00 -1.00 0.00 0.00 179.01 178.68 1i1f h ALA 149 N 0.69 0.87 0.00 3.43 0.00 -0.70 -1.55 119.26 121.99 1i1f h ALA 149 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i1f h ALA 149 Cb 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1i1f h ALA 149 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1i1f n ALA 150 N -2.36 2.31 -3.71 0.00 0.00 -0.82 -4.90 120.51 111.03 1i1f n ALA 150 Ca 0.05 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1i1f n ALA 150 Cb 0.12 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.28 1i1f n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i1f n HIS 151 N -0.95 -1.87 0.09 0.00 -0.00 -0.59 -4.91 115.22 106.99 1i1f n HIS 151 Ca 0.15 0.44 -0.19 0.00 -0.00 0.00 0.00 57.72 58.11 1i1f n HIS 151 Cb 0.07 -3.41 -0.15 0.00 -0.00 0.00 0.00 29.99 26.50 1i1f n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i1f h VAL 152 N -1.94 1.19 -0.35 1.59 2.07 -1.42 -3.20 116.25 114.19 1i1f h VAL 152 Ca -0.67 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.08 1i1f h VAL 152 Cb 1.36 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.96 1i1f h VAL 152 CO 0.49 0.84 0.23 0.00 0.02 0.00 0.00 177.57 179.14 1i1f h ALA 153 N 0.37 0.44 -0.87 1.67 0.00 -1.90 0.22 119.26 119.20 1i1f h ALA 153 Ca -0.25 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1i1f h ALA 153 Cb 2.05 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 1i1f h ALA 153 CO 0.19 -0.08 0.53 0.93 0.00 0.00 0.00 179.25 180.82 1i1f h GLU 154 N 0.47 0.93 -0.45 0.00 3.07 -1.81 0.30 114.58 117.10 1i1f h GLU 154 Ca 0.13 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 1i1f h GLU 154 Cb -0.04 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 1i1f h GLU 154 CO -0.03 0.61 -0.29 0.37 -1.40 0.00 0.00 179.01 178.28 1i1f h GLN 155 N 0.95 0.98 -0.04 2.33 4.15 -1.28 -3.04 115.11 119.16 1i1f h GLN 155 Ca 0.39 -0.46 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 1i1f h GLN 155 Cb 0.22 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1i1f h GLN 155 CO -0.19 1.13 -0.55 1.25 -1.93 0.00 0.00 178.83 178.54 1i1f h LEU 156 N 0.83 0.14 -0.47 -2.39 5.85 0.33 -2.90 115.31 116.70 1i1f h LEU 156 Ca 0.09 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1i1f h LEU 156 Cb 0.87 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1i1f h LEU 156 CO 0.08 0.66 0.26 -0.09 -0.34 0.00 0.00 178.44 179.01 1i1f h ARG 157 N 0.10 0.65 -0.78 1.25 2.43 -0.34 -0.13 114.38 117.57 1i1f h ARG 157 Ca -0.00 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1i1f h ARG 157 Cb 1.00 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 1i1f h ARG 157 CO 0.08 0.51 0.34 0.00 -1.51 0.00 0.00 179.97 179.39 1i1f h ALA 158 N 1.10 1.13 0.21 2.80 0.00 -1.50 -0.64 119.26 122.36 1i1f h ALA 158 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1i1f h ALA 158 Cb 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1i1f h ALA 158 CO -0.03 0.64 -0.10 -0.92 0.00 0.00 0.00 179.25 178.84 1i1f h TYR 159 N 1.12 -0.26 -0.33 0.00 3.20 -1.22 -0.36 116.97 119.13 1i1f h TYR 159 Ca 0.26 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1i1f h TYR 159 Cb 0.17 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1i1f h TYR 159 CO 0.02 -0.16 0.19 -0.07 -1.64 0.00 0.00 178.16 176.50 1i1f h LEU 160 N -0.33 0.31 -1.45 2.82 3.38 -1.07 -0.31 115.31 118.65 1i1f h LEU 160 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1i1f h LEU 160 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1i1f h LEU 160 CO 0.05 0.23 -0.18 -0.33 0.09 0.00 0.00 178.44 178.30 1i1f h GLU 161 N 0.39 0.00 0.00 1.13 5.08 -1.23 -3.31 114.58 116.65 1i1f h GLU 161 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1i1f h GLU 161 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i1f h GLU 161 CO -0.06 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1i1f n GLY 162 N -0.18 0.26 0.31 -3.84 0.00 -0.15 -4.63 105.19 96.97 1i1f n GLY 162 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1i1f n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1f h THR 163 N 0.00 0.91 0.39 2.61 1.03 -1.48 0.12 112.91 116.49 1i1f h THR 163 Ca 0.00 -0.02 -0.02 0.00 -0.01 0.00 0.00 66.41 66.36 1i1f h THR 163 Cb 0.00 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 67.93 1i1f h THR 163 CO 0.00 0.01 -0.19 0.00 -0.01 0.00 0.00 175.52 175.33 1i1f h VAL 165 N -0.84 1.26 -0.67 0.00 -1.51 -1.44 -0.51 116.25 112.54 1i1f h VAL 165 Ca -0.05 -1.05 0.07 0.00 -1.23 0.00 0.00 66.70 64.43 1i1f h VAL 165 Cb 0.54 0.73 -0.06 0.00 -2.13 0.00 0.00 31.29 30.37 1i1f h VAL 165 CO 0.09 0.39 0.35 -0.33 -1.23 0.00 0.00 177.57 176.83 1i1f h GLU 166 N 0.94 0.60 0.00 5.19 5.08 -0.80 -1.94 114.58 123.66 1i1f h GLU 166 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1i1f h GLU 166 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1i1f h GLU 166 CO 0.02 0.40 -0.56 -1.49 -1.00 0.00 0.00 179.01 176.38 1i1f h TRP 167 N 0.62 0.00 0.18 4.33 4.06 -1.06 -3.13 115.95 120.95 1i1f h TRP 167 Ca 0.31 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.25 1i1f h TRP 167 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1i1f h TRP 167 CO -0.10 0.00 -0.09 1.25 -3.56 0.00 0.00 178.44 175.95 1i1f h LEU 168 N 0.00 -0.21 -0.33 -4.49 5.85 -0.75 -2.16 115.31 113.22 1i1f h LEU 168 Ca 0.00 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1i1f h LEU 168 Cb 0.99 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1i1f h LEU 168 CO 0.00 0.07 -0.15 0.03 -0.34 0.00 0.00 178.44 178.05 1i1f h ARG 169 N -0.49 -0.09 -0.53 1.25 3.08 -1.46 0.91 114.38 117.05 1i1f h ARG 169 Ca -0.02 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1i1f h ARG 169 Cb 0.38 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 1i1f h ARG 169 CO 0.04 -0.06 0.17 -0.09 -1.07 0.00 0.00 179.97 178.96 1i1f h ARG 170 N -0.09 0.32 -0.28 0.04 2.43 -1.53 -0.13 114.38 115.14 1i1f h ARG 170 Ca 0.17 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1i1f h ARG 170 Cb 0.35 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1i1f h ARG 170 CO -0.39 0.21 0.14 1.88 -1.51 0.00 0.00 179.97 180.30 1i1f h TYR 171 N 0.33 0.26 -0.19 2.20 0.05 -0.64 0.33 116.97 119.31 1i1f h TYR 171 Ca 0.26 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.11 1i1f h TYR 171 Cb 0.32 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.92 1i1f h TYR 171 CO -0.18 0.14 -0.25 -0.07 -1.05 0.00 0.00 178.16 176.75 1i1f h LEU 172 N 0.29 -0.79 -0.14 3.88 3.38 0.86 0.38 115.31 123.16 1i1f h LEU 172 Ca 0.11 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1i1f h LEU 172 Cb 0.03 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1i1f h LEU 172 CO -0.08 -0.29 -0.04 -0.33 0.09 0.00 0.00 178.44 177.79 1i1f h GLU 173 N -0.28 0.28 -0.81 1.13 5.08 -0.98 -0.99 114.58 118.01 1i1f h GLU 173 Ca 0.12 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1i1f h GLU 173 Cb 0.47 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1i1f h GLU 173 CO -0.36 0.56 0.53 -0.91 -1.00 0.00 0.00 179.01 177.83 1i1f h ASN 174 N -0.03 0.61 -0.38 1.42 2.35 0.25 -0.98 115.58 118.81 1i1f h ASN 174 Ca 0.04 0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.63 1i1f h ASN 174 Cb 0.46 -0.10 -0.11 0.00 0.05 0.00 0.00 38.32 38.62 1i1f h ASN 174 CO 0.01 0.34 -0.03 0.61 -1.65 0.00 0.00 177.43 176.71 1i1f n GLY 175 N -1.46 4.80 0.32 2.83 0.00 0.13 -4.86 105.19 106.95 1i1f n GLY 175 Ca 0.14 -1.20 0.21 0.00 0.00 0.00 0.00 46.02 45.17 1i1f n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i1f n LYS 176 N -1.07 -0.07 0.03 1.61 4.81 -0.37 -1.11 118.16 121.99 1i1f n LYS 176 Ca 0.34 1.38 0.03 0.00 -0.87 0.00 0.00 58.31 59.19 1i1f n LYS 176 Cb 1.06 -2.30 0.41 0.00 0.02 0.00 0.00 35.03 34.21 1i1f n LYS 176 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1i1f h GLU 177 N 0.00 0.47 0.00 1.64 5.08 -1.87 -2.51 114.58 117.39 1i1f h GLU 177 Ca 0.67 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1i1f h GLU 177 Cb 1.56 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1i1f h GLU 177 CO -0.83 0.38 -0.57 0.25 -1.00 0.00 0.00 179.01 177.24 1i1f n THR 178 N -4.42 0.00 -0.06 1.13 -2.24 -0.61 -4.28 114.28 103.80 1i1f n THR 178 Ca 0.02 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 1i1f n THR 178 Cb 0.12 0.79 -0.13 0.00 -2.10 0.00 0.00 70.33 69.01 1i1f n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i1f n LEU 179 N -1.31 2.50 -0.76 3.22 4.77 -0.27 -4.34 117.00 120.82 1i1f n LEU 179 Ca 0.00 0.18 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 1i1f n LEU 179 Cb 0.09 -1.01 0.14 0.00 -2.33 0.00 0.00 43.42 40.31 1i1f n LEU 179 CO 0.10 0.74 0.56 0.00 -1.33 0.00 0.00 177.39 177.46 1i1f n GLN 180 N -3.70 2.05 -3.73 3.23 6.02 -0.95 -4.86 117.38 115.45 1i1f n GLN 180 Ca -0.38 -1.14 -0.35 0.00 -0.01 0.00 0.00 57.00 55.12 1i1f n GLN 180 Cb 0.95 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 30.66 1i1f n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i1f s ARG 181 N -1.65 4.15 -0.33 -1.09 3.52 -1.25 -4.99 118.95 117.32 1i1f s ARG 181 Ca 0.21 -0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.56 1i1f s ARG 181 Cb 0.13 -3.44 0.07 0.00 -1.56 0.00 0.00 34.95 30.15 1i1f s ARG 181 CO 0.11 0.25 0.05 0.95 -0.81 0.00 0.00 175.30 175.85 1i1f s THR 182 N 0.51 2.99 -0.27 4.11 -4.23 -1.26 -4.61 115.64 112.88 1i1f s THR 182 Ca 0.08 -1.64 -0.25 0.00 -1.18 0.00 0.00 61.69 58.69 1i1f s THR 182 Cb -0.12 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1i1f s THR 182 CO -0.01 -0.29 0.87 -1.81 -0.54 0.00 0.00 174.62 172.84 1i1f s ASP 183 N 1.37 6.82 0.79 3.99 1.01 0.25 -4.56 116.67 126.34 1i1f s ASP 183 Ca -0.01 0.96 -0.11 0.00 0.71 0.00 0.00 52.55 54.11 1i1f s ASP 183 Cb -0.20 -2.45 0.06 0.00 1.01 0.00 0.00 42.92 41.34 1i1f s ASP 183 CO -0.03 -0.61 1.09 0.00 0.21 0.00 0.00 175.17 175.83 1i1f s ALA 184 N 3.03 2.18 0.12 5.23 0.00 -1.26 -2.30 121.76 128.77 1i1f s ALA 184 Ca 0.37 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1i1f s ALA 184 Cb -0.14 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1i1f s ALA 184 CO 0.10 -1.78 1.02 -1.25 0.00 0.00 0.00 175.76 173.84 1i1f s PRO 185 N -4.97 4.64 -0.47 0.00 0.05 -1.26 -4.57 135.00 128.43 1i1f s PRO 185 Ca 0.61 1.55 -0.27 0.00 0.05 0.00 0.00 61.00 62.94 1i1f s PRO 185 Cb -0.16 -3.35 0.03 0.00 0.05 0.00 0.00 34.50 31.06 1i1f s PRO 185 CO 0.56 0.12 1.03 0.15 0.05 0.00 0.00 177.00 178.92 1i1f s LYS 186 N 0.04 3.64 0.17 4.56 3.01 -0.32 -4.89 119.74 125.95 1i1f s LYS 186 Ca 0.49 0.39 0.06 0.00 -1.01 0.00 0.00 55.97 55.89 1i1f s LYS 186 Cb -0.25 -3.91 -0.04 0.00 -1.01 0.00 0.00 37.83 32.62 1i1f s LYS 186 CO 0.31 -1.29 0.11 0.95 0.51 0.00 0.00 175.35 175.93 1i1f s THR 187 N 4.10 4.30 -0.07 2.17 -4.23 -1.26 -0.46 115.64 120.18 1i1f s THR 187 Ca 0.43 -1.19 -0.31 0.00 -1.18 0.00 0.00 61.69 59.44 1i1f s THR 187 Cb -0.09 -3.19 0.12 0.00 1.34 0.00 0.00 72.50 70.68 1i1f s THR 187 CO 0.29 -0.12 1.00 -1.38 -0.54 0.00 0.00 174.62 173.86 1i1f s HIS 188 N -1.77 -0.28 0.05 3.99 -3.43 -0.84 -4.97 115.29 108.05 1i1f s HIS 188 Ca 0.30 0.19 0.07 0.00 -0.80 0.00 0.00 55.06 54.82 1i1f s HIS 188 Cb -0.10 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.55 1i1f s HIS 188 CO 0.22 -0.42 -0.19 1.41 -2.00 0.00 0.00 174.74 173.76 1i1f s MET 189 N -2.78 1.23 0.08 -0.38 1.75 -1.26 0.11 119.30 118.06 1i1f s MET 189 Ca 0.06 -0.94 0.07 0.00 -1.25 0.00 0.00 55.69 53.63 1i1f s MET 189 Cb -0.01 -1.35 -0.03 0.00 2.84 0.00 0.00 34.83 36.28 1i1f s MET 189 CO -0.07 0.34 -0.20 0.95 -0.65 0.00 0.00 175.02 175.39 1i1f s THR 190 N -0.88 1.59 -0.18 10.11 -4.23 0.20 -4.94 115.64 117.31 1i1f s THR 190 Ca 0.06 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1i1f s THR 190 Cb -0.09 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.35 1i1f s THR 190 CO 0.02 0.00 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.71 1i1f s HIS 191 N -1.04 2.28 -0.19 3.99 2.46 -1.26 -0.17 115.29 121.36 1i1f s HIS 191 Ca 0.05 -1.44 0.00 0.00 0.47 0.00 0.00 55.06 54.15 1i1f s HIS 191 Cb -0.09 -1.60 0.02 0.00 -0.13 0.00 0.00 32.58 30.77 1i1f s HIS 191 CO 0.03 -0.71 -0.17 -1.01 -2.47 0.00 0.00 174.74 170.41 1i1f s HIS 192 N 1.44 2.85 0.00 3.88 3.76 -0.00 -4.97 115.29 122.25 1i1f s HIS 192 Ca 0.01 -1.61 -0.30 0.00 -0.15 0.00 0.00 55.06 53.00 1i1f s HIS 192 Cb -0.15 -1.95 -0.06 0.00 1.11 0.00 0.00 32.58 31.54 1i1f s HIS 192 CO -0.09 -0.78 1.42 0.00 -0.85 0.00 0.00 174.74 174.44 1i1f s ALA 193 N 1.30 3.59 -0.19 -1.40 0.00 -1.26 -0.11 121.76 123.68 1i1f s ALA 193 Ca 0.04 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 1i1f s ALA 193 Cb -0.14 -3.61 -0.20 0.00 0.00 0.00 0.00 23.12 19.17 1i1f s ALA 193 CO -0.11 -0.94 0.16 1.33 0.00 0.00 0.00 175.76 176.21 1i1f n VAL 194 N 4.69 1.60 -4.28 0.00 0.24 -1.06 -4.90 118.33 114.62 1i1f n VAL 194 Ca 0.13 -0.28 -0.18 0.00 -2.04 0.00 0.00 64.34 61.97 1i1f n VAL 194 Cb 0.43 -1.90 -0.08 0.00 -1.47 0.00 0.00 33.84 30.82 1i1f n VAL 194 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1i1f s SER 195 N -6.97 1.47 0.54 -1.34 1.04 -1.22 -5.02 113.70 102.19 1i1f s SER 195 Ca -0.29 -1.69 0.28 0.00 0.48 0.00 0.00 55.95 54.73 1i1f s SER 195 Cb 0.07 0.52 1.53 0.00 0.10 0.00 0.00 66.02 68.24 1i1f s SER 195 CO 0.63 -1.02 2.10 0.44 0.98 0.00 0.00 173.24 176.37 1i1f h ASP 196 N 2.20 0.00 -0.29 7.02 5.19 -2.04 -3.06 116.42 125.44 1i1f h ASP 196 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1i1f h ASP 196 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1i1f h ASP 196 CO 0.40 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 176.62 1i1f n HIS 197 N -3.64 0.57 -3.91 4.55 1.44 -1.26 -4.91 115.22 108.06 1i1f n HIS 197 Ca -0.02 -0.62 -0.09 0.00 -2.01 0.00 0.00 57.72 54.98 1i1f n HIS 197 Cb 0.21 -0.12 -0.07 0.00 0.12 0.00 0.00 29.99 30.14 1i1f n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1i1f s GLU 198 N -1.58 1.10 -0.23 -1.40 2.02 -1.16 -3.19 118.70 114.27 1i1f s GLU 198 Ca 0.27 -1.09 -0.27 0.00 0.02 0.00 0.00 54.97 53.91 1i1f s GLU 198 Cb 0.18 0.38 0.10 0.00 0.10 0.00 0.00 34.13 34.90 1i1f s GLU 198 CO 0.12 -0.40 0.89 0.00 0.02 0.00 0.00 175.26 175.89 1i1f s ALA 199 N -3.93 -1.88 0.05 5.21 0.00 0.18 -2.57 121.76 118.81 1i1f s ALA 199 Ca 0.13 1.80 -0.22 0.00 0.00 0.00 0.00 51.96 53.67 1i1f s ALA 199 Cb 0.03 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 1i1f s ALA 199 CO -0.03 -0.30 0.67 0.99 0.00 0.00 0.00 175.76 177.09 1i1f s THR 200 N -0.14 4.75 -0.21 0.00 2.01 0.84 -0.67 115.64 122.22 1i1f s THR 200 Ca -0.01 1.43 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 1i1f s THR 200 Cb -0.04 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1i1f s THR 200 CO -0.01 0.44 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.02 1i1f s LEU 201 N -0.42 2.66 -0.18 4.42 2.96 -0.56 -0.82 118.68 126.75 1i1f s LEU 201 Ca 0.34 -0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1i1f s LEU 201 Cb -0.20 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1i1f s LEU 201 CO 0.21 -0.04 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.45 1i1f s ARG 202 N 1.35 3.19 -0.21 1.98 3.52 0.77 -1.67 118.95 127.87 1i1f s ARG 202 Ca 0.04 -0.75 -0.18 0.00 -0.13 0.00 0.00 55.73 54.71 1i1f s ARG 202 Cb -0.14 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 1i1f s ARG 202 CO -0.08 -0.09 0.49 0.00 -0.81 0.00 0.00 175.30 174.81 1i1f s TRP 204 N 1.66 3.11 -0.38 0.00 0.52 0.12 -2.10 118.94 121.87 1i1f s TRP 204 Ca 0.22 0.15 0.01 0.00 0.02 0.00 0.00 56.10 56.51 1i1f s TRP 204 Cb -0.15 -1.77 0.13 0.00 -1.15 0.00 0.00 33.47 30.52 1i1f s TRP 204 CO 0.09 0.44 0.20 0.00 0.02 0.00 0.00 176.95 177.69 1i1f s ALA 205 N -0.85 1.67 0.25 0.98 0.00 -0.28 -1.98 121.76 121.56 1i1f s ALA 205 Ca 0.13 -2.17 0.08 0.00 0.00 0.00 0.00 51.96 50.00 1i1f s ALA 205 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1i1f s ALA 205 CO 0.02 -1.97 0.14 -0.51 0.00 0.00 0.00 175.76 173.44 1i1f s LEU 206 N 0.86 3.65 -1.08 0.00 1.43 0.39 -1.11 118.68 122.82 1i1f s LEU 206 Ca 0.16 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1i1f s LEU 206 Cb -0.22 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.85 1i1f s LEU 206 CO -0.06 -0.03 0.65 -1.54 0.23 0.00 0.00 176.35 175.60 1i1f n SER 207 N -1.09 -4.37 -4.51 2.29 3.41 -0.98 -1.17 113.62 107.20 1i1f n SER 207 Ca -0.07 -1.19 -0.25 0.00 -0.26 0.00 0.00 58.87 57.09 1i1f n SER 207 Cb 0.58 -1.62 -0.10 0.00 -0.26 0.00 0.00 64.21 62.81 1i1f n SER 207 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1i1f s PHE 208 N -3.33 2.43 -0.24 7.33 -0.12 -0.61 -4.62 117.98 118.83 1i1f s PHE 208 Ca 0.32 -0.30 -0.13 0.00 -0.05 0.00 0.00 56.93 56.77 1i1f s PHE 208 Cb -0.18 -1.13 0.08 0.00 -0.63 0.00 0.00 43.02 41.16 1i1f s PHE 208 CO 0.95 0.60 0.57 -0.47 -0.05 0.00 0.00 175.22 176.82 1i1f s TYR 209 N -2.06 -0.90 0.64 3.49 6.14 -0.97 -0.06 117.35 123.62 1i1f s TYR 209 Ca 0.26 1.81 -0.11 0.00 0.64 0.00 0.00 57.07 59.67 1i1f s TYR 209 Cb -0.07 0.50 0.15 0.00 0.42 0.00 0.00 41.96 42.96 1i1f s TYR 209 CO 0.14 -0.47 0.72 -0.35 0.64 0.00 0.00 175.55 176.24 1i1f n PRO 210 N 4.43 -1.45 -0.15 4.97 -0.04 -1.26 0.88 135.00 142.38 1i1f n PRO 210 Ca -0.20 -1.13 -0.07 0.00 -0.04 0.00 0.00 63.50 62.06 1i1f n PRO 210 Cb 0.56 -0.88 0.08 0.00 -0.04 0.00 0.00 33.50 33.23 1i1f n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i1f h ALA 211 N -2.13 0.92 -1.33 0.55 0.00 -1.95 -3.46 119.26 111.86 1i1f h ALA 211 Ca -0.25 -0.32 -0.70 0.00 0.00 0.00 0.00 54.91 53.64 1i1f h ALA 211 Cb 0.72 -0.20 0.07 0.00 0.00 0.00 0.00 17.79 18.39 1i1f h ALA 211 CO 0.17 0.63 0.03 0.39 0.00 0.00 0.00 179.25 180.47 1i1f n GLU 212 N -4.17 0.52 -3.57 0.00 -0.58 -1.26 -4.97 120.64 106.61 1i1f n GLU 212 Ca 0.02 0.18 -0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1i1f n GLU 212 Cb 0.36 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 1i1f n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1i1f s ILE 213 N -0.27 0.00 -0.25 -3.67 2.07 -1.26 -4.73 121.20 113.08 1i1f s ILE 213 Ca 0.78 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.02 1i1f s ILE 213 Cb -1.01 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 40.64 1i1f s ILE 213 CO 0.54 0.00 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.66 1i1f s THR 214 N -1.71 1.48 -0.38 4.00 2.01 -0.40 -4.97 115.64 115.67 1i1f s THR 214 Ca 0.02 -1.29 -0.06 0.00 0.31 0.00 0.00 61.69 60.67 1i1f s THR 214 Cb -0.01 -1.82 0.07 0.00 0.01 0.00 0.00 72.50 70.76 1i1f s THR 214 CO -0.02 -0.20 0.17 -0.22 -0.69 0.00 0.00 174.62 173.66 1i1f s LEU 215 N 1.40 4.77 0.10 4.42 2.96 -1.26 -0.85 118.68 130.22 1i1f s LEU 215 Ca -0.03 -1.50 0.09 0.00 -0.22 0.00 0.00 54.13 52.47 1i1f s LEU 215 Cb -0.19 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1i1f s LEU 215 CO -0.08 -0.44 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.37 1i1f s THR 216 N 1.32 2.00 -0.07 3.68 2.01 0.22 -4.92 115.64 119.88 1i1f s THR 216 Ca 0.02 -1.58 0.02 0.00 0.31 0.00 0.00 61.69 60.46 1i1f s THR 216 Cb -0.22 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1i1f s THR 216 CO 0.00 0.09 -0.10 0.26 -0.69 0.00 0.00 174.62 174.19 1i1f s TRP 217 N -1.03 2.85 0.01 4.92 0.52 -1.26 0.53 118.94 125.48 1i1f s TRP 217 Ca 0.11 -0.10 0.01 0.00 0.02 0.00 0.00 56.10 56.14 1i1f s TRP 217 Cb -0.10 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1i1f s TRP 217 CO 0.04 0.23 -0.03 1.14 0.02 0.00 0.00 176.95 178.35 1i1f s GLN 218 N -0.66 0.25 -0.19 4.98 -2.07 -0.52 -0.97 119.66 120.49 1i1f s GLN 218 Ca 0.10 -0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.32 1i1f s GLN 218 Cb -0.11 -0.09 0.02 0.00 -1.09 0.00 0.00 33.01 31.73 1i1f s GLN 218 CO 0.01 0.02 -0.18 0.50 -1.32 0.00 0.00 175.29 174.32 1i1f s ARG 219 N -0.68 3.02 -1.52 9.60 3.52 0.36 -1.33 118.95 131.91 1i1f s ARG 219 Ca -0.06 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 54.71 1i1f s ARG 219 Cb -0.05 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1i1f s ARG 219 CO -0.00 -0.21 0.28 -0.25 -0.81 0.00 0.00 175.30 174.30 1i1f n ASP 220 N 4.64 -5.61 0.00 -2.12 8.00 -0.29 -1.23 116.55 119.94 1i1f n ASP 220 Ca -0.21 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1i1f n ASP 220 Cb 0.50 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 1i1f n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1f n GLY 221 N -1.24 2.84 3.73 0.44 0.00 -1.26 -5.02 105.19 104.68 1i1f n GLY 221 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1i1f n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1f s GLU 222 N -0.12 4.29 0.38 1.61 2.02 -0.36 -4.96 118.70 121.57 1i1f s GLU 222 Ca 0.00 0.38 -0.26 0.00 0.02 0.00 0.00 54.97 55.11 1i1f s GLU 222 Cb 0.00 -3.42 -0.11 0.00 0.10 0.00 0.00 34.13 30.70 1i1f s GLU 222 CO 0.00 0.22 1.19 -3.47 0.02 0.00 0.00 175.26 173.22 1i1f n ASP 223 N 3.49 2.18 -2.23 -0.19 -0.08 -1.26 0.13 116.55 118.59 1i1f n ASP 223 Ca -0.08 1.13 -0.27 0.00 -1.51 0.00 0.00 54.79 54.05 1i1f n ASP 223 Cb 0.52 -1.44 0.03 0.00 2.34 0.00 0.00 41.12 42.56 1i1f n ASP 223 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i1f n GLN 224 N 0.28 3.38 -0.27 -0.67 1.13 -0.14 -4.76 117.38 116.33 1i1f n GLN 224 Ca 0.07 -4.07 0.12 0.00 -1.94 0.00 0.00 57.00 51.17 1i1f n GLN 224 Cb 0.38 -2.27 0.38 0.00 0.11 0.00 0.00 30.24 28.83 1i1f n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1i1f h THR 225 N 2.08 0.83 0.00 5.09 1.35 -1.92 -1.23 112.91 119.11 1i1f h THR 225 Ca 0.40 -0.24 -0.05 0.00 -0.55 0.00 0.00 66.41 65.97 1i1f h THR 225 Cb 1.19 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1i1f h THR 225 CO 0.95 0.13 -0.23 1.56 -0.25 0.00 0.00 175.52 177.68 1i1f h GLN 226 N 0.70 0.00 -0.13 4.72 1.08 -1.98 -3.34 115.11 116.16 1i1f h GLN 226 Ca 0.45 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.53 1i1f h GLN 226 Cb 0.72 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.00 1i1f h GLN 226 CO -0.21 0.23 -0.67 -0.25 -0.95 0.00 0.00 178.83 176.99 1i1f n ASP 227 N -3.45 2.05 -4.31 1.46 8.00 -0.48 -5.01 116.55 114.81 1i1f n ASP 227 Ca -0.00 -3.47 -0.32 0.00 0.71 0.00 0.00 54.79 51.70 1i1f n ASP 227 Cb 0.41 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 40.90 1i1f n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i1f s THR 228 N -2.89 2.61 0.12 -3.53 2.01 -1.15 -4.38 115.64 108.45 1i1f s THR 228 Ca 0.39 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 1i1f s THR 228 Cb 0.38 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.77 1i1f s THR 228 CO -0.07 0.54 0.90 -0.70 -0.69 0.00 0.00 174.62 174.60 1i1f s GLU 229 N 0.26 4.67 -0.08 4.92 2.12 0.20 -4.86 118.70 125.93 1i1f s GLU 229 Ca -0.12 1.35 -0.02 0.00 0.36 0.00 0.00 54.97 56.54 1i1f s GLU 229 Cb -0.16 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.91 1i1f s GLU 229 CO 0.07 0.31 0.01 -1.17 -0.54 0.00 0.00 175.26 173.94 1i1f s LEU 230 N -0.32 0.60 0.42 2.70 2.96 -1.26 0.15 118.68 123.93 1i1f s LEU 230 Ca 0.43 -0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 1i1f s LEU 230 Cb -0.23 -0.43 -0.06 0.00 0.50 0.00 0.00 46.19 45.96 1i1f s LEU 230 CO 0.28 -0.21 0.79 0.68 -1.32 0.00 0.00 176.35 176.58 1i1f s VAL 231 N 1.98 4.76 0.39 1.68 -7.23 -0.98 -5.04 120.40 115.96 1i1f s VAL 231 Ca 0.05 0.68 -0.24 0.00 -1.81 0.00 0.00 61.98 60.65 1i1f s VAL 231 Cb -0.13 -3.73 -0.09 0.00 0.56 0.00 0.00 36.38 32.99 1i1f s VAL 231 CO -0.05 -0.55 1.04 -1.83 -0.31 0.00 0.00 175.10 173.40 1i1f s GLU 232 N -3.90 4.20 -0.10 4.82 -1.05 -1.26 -4.58 118.70 116.83 1i1f s GLU 232 Ca 0.52 1.50 -0.33 0.00 -0.15 0.00 0.00 54.97 56.51 1i1f s GLU 232 Cb -0.10 -2.56 -0.11 0.00 -0.44 0.00 0.00 34.13 30.92 1i1f s GLU 232 CO 0.32 -0.11 1.95 2.41 0.95 0.00 0.00 175.26 180.78 1i1f n THR 233 N -0.02 0.57 -4.83 1.83 -1.04 -1.26 -4.88 114.28 104.64 1i1f n THR 233 Ca 0.05 -0.15 -0.31 0.00 -2.04 0.00 0.00 64.05 61.60 1i1f n THR 233 Cb 0.50 -1.99 -0.14 0.00 -1.82 0.00 0.00 70.33 66.88 1i1f n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1f s ARG 234 N 4.50 1.97 0.31 -2.82 1.70 -0.94 -4.98 118.95 118.68 1i1f s ARG 234 Ca 0.94 -1.02 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 1i1f s ARG 234 Cb -0.64 -2.09 -0.10 0.00 -0.57 0.00 0.00 34.95 31.56 1i1f s ARG 234 CO 0.49 0.53 1.20 -1.25 -1.08 0.00 0.00 175.30 175.19 1i1f s PRO 235 N -1.25 4.49 0.03 3.89 0.04 -1.26 -1.56 135.00 139.38 1i1f s PRO 235 Ca 0.13 1.99 0.25 0.00 0.04 0.00 0.00 61.00 63.41 1i1f s PRO 235 Cb -0.10 -3.12 0.42 0.00 0.04 0.00 0.00 34.50 31.74 1i1f s PRO 235 CO 0.03 0.01 1.35 0.00 0.04 0.00 0.00 177.00 178.43 1i1f n ALA 236 N 0.97 3.44 -1.26 8.56 0.00 -0.10 -4.88 120.51 127.24 1i1f n ALA 236 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.06 1i1f n ALA 236 Cb 0.43 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 1i1f n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1f n GLY 237 N 1.46 0.61 0.27 0.00 0.00 -1.26 -4.86 105.19 101.40 1i1f n GLY 237 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.21 1i1f n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i1f n ASP 238 N 1.36 0.55 0.00 1.61 5.75 -1.26 -4.95 116.55 119.60 1i1f n ASP 238 Ca -0.04 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1i1f n ASP 238 Cb 0.19 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1i1f n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i1f n GLY 239 N -0.28 0.73 3.55 6.12 0.00 -1.26 -5.04 105.19 109.01 1i1f n GLY 239 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1i1f n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i1f s THR 240 N -2.90 2.04 0.22 2.61 -4.23 -1.26 -4.82 115.64 107.31 1i1f s THR 240 Ca 0.00 -2.12 0.12 0.00 -1.18 0.00 0.00 61.69 58.50 1i1f s THR 240 Cb 0.00 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 1i1f s THR 240 CO 0.00 -0.14 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.35 1i1f s PHE 241 N -2.72 2.29 0.23 3.99 0.40 0.91 -0.93 117.98 122.16 1i1f s PHE 241 Ca 0.33 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1i1f s PHE 241 Cb 0.05 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 1i1f s PHE 241 CO 0.16 0.58 -0.11 -0.65 0.70 0.00 0.00 175.22 175.90 1i1f s GLN 242 N -2.96 1.39 -0.17 0.44 -0.21 -0.60 -1.57 119.66 115.98 1i1f s GLN 242 Ca 0.24 -1.65 -0.31 0.00 0.02 0.00 0.00 55.36 53.66 1i1f s GLN 242 Cb -0.07 -1.09 0.14 0.00 1.00 0.00 0.00 33.01 32.99 1i1f s GLN 242 CO 0.12 0.12 1.09 0.21 -2.12 0.00 0.00 175.29 174.70 1i1f s LYS 243 N -3.69 0.47 0.07 2.91 2.20 -0.27 -2.22 119.74 119.21 1i1f s LYS 243 Ca 0.25 0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.80 1i1f s LYS 243 Cb 0.01 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1i1f s LYS 243 CO 0.08 -0.17 0.13 1.67 -0.36 0.00 0.00 175.35 176.71 1i1f s TRP 244 N -1.61 0.22 -0.06 4.03 1.48 -1.26 -1.12 118.94 120.62 1i1f s TRP 244 Ca 0.03 -0.63 0.03 0.00 -1.06 0.00 0.00 56.10 54.47 1i1f s TRP 244 Cb -0.01 -0.13 0.01 0.00 -1.16 0.00 0.00 33.47 32.18 1i1f s TRP 244 CO -0.03 -0.47 -0.12 0.00 -4.06 0.00 0.00 176.95 172.26 1i1f s ALA 245 N -3.55 1.24 -0.01 2.67 0.00 -0.89 -2.31 121.76 118.91 1i1f s ALA 245 Ca 0.03 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.60 1i1f s ALA 245 Cb 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1i1f s ALA 245 CO -0.09 0.14 -0.16 0.00 0.00 0.00 0.00 175.76 175.65 1i1f s ALA 246 N 0.52 1.36 -0.04 0.00 0.00 0.39 -0.81 121.76 123.18 1i1f s ALA 246 Ca -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1i1f s ALA 246 Cb -0.14 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1i1f s ALA 246 CO 0.03 0.33 -0.04 0.54 0.00 0.00 0.00 175.76 176.62 1i1f s VAL 247 N -0.38 0.46 -0.17 0.00 0.11 -0.67 0.60 120.40 120.35 1i1f s VAL 247 Ca 0.06 -0.11 -0.22 0.00 -2.93 0.00 0.00 61.98 58.79 1i1f s VAL 247 Cb -0.06 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1i1f s VAL 247 CO -0.01 0.20 0.67 -0.69 -3.33 0.00 0.00 175.10 171.94 1i1f s VAL 248 N 0.77 5.01 -0.06 2.04 1.01 -1.26 -1.50 120.40 126.41 1i1f s VAL 248 Ca -0.10 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.21 1i1f s VAL 248 Cb -0.13 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1i1f s VAL 248 CO -0.00 0.13 -0.18 -0.69 0.00 0.00 0.00 175.10 174.36 1i1f s VAL 249 N 1.71 1.51 -0.22 2.92 1.01 0.16 -4.95 120.40 122.54 1i1f s VAL 249 Ca 0.32 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1i1f s VAL 249 Cb -0.16 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1i1f s VAL 249 CO 0.12 0.43 1.92 -2.16 0.00 0.00 0.00 175.10 175.42 1i1f s PRO 250 N 0.26 3.47 0.00 2.72 0.05 -1.26 0.49 135.00 140.74 1i1f s PRO 250 Ca -0.10 1.84 -0.39 0.00 0.05 0.00 0.00 61.00 62.41 1i1f s PRO 250 Cb -0.14 -4.22 -0.18 0.00 0.05 0.00 0.00 34.50 30.01 1i1f s PRO 250 CO 0.04 -1.70 1.28 0.43 0.05 0.00 0.00 177.00 177.10 1i1f n SER 251 N 9.99 1.04 0.00 6.66 7.64 -1.19 -1.29 113.62 136.47 1i1f n SER 251 Ca 0.24 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1i1f n SER 251 Cb 0.45 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1i1f n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i1f n GLY 252 N 2.31 0.57 0.10 0.23 0.00 -1.26 -4.94 105.19 102.20 1i1f n GLY 252 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1i1f n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1f n GLN 253 N -1.58 1.46 -0.35 1.61 6.02 -0.41 -4.78 117.38 119.36 1i1f n GLN 253 Ca 0.00 -2.14 -0.03 0.00 -0.01 0.00 0.00 57.00 54.82 1i1f n GLN 253 Cb 0.00 -1.27 0.11 0.00 1.02 0.00 0.00 30.24 30.10 1i1f n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i1f h GLU 254 N 0.00 1.28 0.00 -1.09 3.07 -1.92 -2.89 114.58 113.02 1i1f h GLU 254 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1i1f h GLU 254 Cb 0.94 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1i1f h GLU 254 CO 0.00 0.89 0.03 0.00 -1.40 0.00 0.00 179.01 178.52 1i1f n GLN 255 N -4.36 0.08 0.00 2.33 10.64 -1.26 -2.35 117.38 122.46 1i1f n GLN 255 Ca 0.11 0.57 0.10 0.00 -1.83 0.00 0.00 57.00 55.94 1i1f n GLN 255 Cb 0.05 -1.78 -0.03 0.00 -0.86 0.00 0.00 30.24 27.62 1i1f n GLN 255 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1i1f n ARG 256 N -1.92 1.28 -3.45 2.61 1.85 -1.09 -4.90 116.66 111.04 1i1f n ARG 256 Ca -0.01 -0.72 -0.36 0.00 -1.00 0.00 0.00 57.85 55.76 1i1f n ARG 256 Cb 0.05 -1.39 -0.06 0.00 -1.05 0.00 0.00 32.46 30.01 1i1f n ARG 256 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1i1f s TYR 257 N -2.36 3.65 -0.12 2.89 2.02 -0.99 -1.14 117.35 121.30 1i1f s TYR 257 Ca 0.14 0.98 -0.05 0.00 -0.37 0.00 0.00 57.07 57.77 1i1f s TYR 257 Cb 0.16 -2.30 0.05 0.00 -0.40 0.00 0.00 41.96 39.47 1i1f s TYR 257 CO 0.56 0.52 0.25 0.95 -1.57 0.00 0.00 175.55 176.27 1i1f s THR 258 N -1.32 -0.21 0.15 -0.71 -4.23 -0.44 -4.36 115.64 104.51 1i1f s THR 258 Ca 0.32 0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.85 1i1f s THR 258 Cb -0.15 -0.41 -0.07 0.00 1.34 0.00 0.00 72.50 73.20 1i1f s THR 258 CO 0.17 0.09 0.65 0.00 -0.54 0.00 0.00 174.62 174.99 1i1f s HIS 260 N -1.32 2.25 -0.13 0.00 3.76 0.19 -1.80 115.29 118.24 1i1f s HIS 260 Ca 0.36 -0.75 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1i1f s HIS 260 Cb -0.18 -1.50 0.02 0.00 1.11 0.00 0.00 32.58 32.03 1i1f s HIS 260 CO 0.21 -0.26 -0.14 0.08 -0.85 0.00 0.00 174.74 173.77 1i1f s VAL 261 N 0.06 1.53 -0.16 -0.90 1.01 -0.26 -0.61 120.40 121.07 1i1f s VAL 261 Ca -0.08 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1i1f s VAL 261 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1i1f s VAL 261 CO 0.05 0.45 -0.20 -1.10 0.00 0.00 0.00 175.10 174.30 1i1f s GLN 262 N 1.30 2.91 -0.07 2.72 -0.21 -0.03 -1.35 119.66 124.93 1i1f s GLN 262 Ca 0.00 -0.81 -0.23 0.00 0.02 0.00 0.00 55.36 54.35 1i1f s GLN 262 Cb -0.14 -2.45 0.05 0.00 1.00 0.00 0.00 33.01 31.48 1i1f s GLN 262 CO -0.07 -0.12 0.52 -1.58 -2.12 0.00 0.00 175.29 171.91 1i1f s HIS 263 N 1.09 -0.47 0.55 0.91 2.46 -1.26 -1.28 115.29 117.29 1i1f s HIS 263 Ca -0.01 0.88 0.23 0.00 0.47 0.00 0.00 55.06 56.64 1i1f s HIS 263 Cb -0.14 0.25 1.50 0.00 -0.13 0.00 0.00 32.58 34.06 1i1f s HIS 263 CO -0.08 -0.46 2.14 1.49 -2.47 0.00 0.00 174.74 175.36 1i1f h GLU 264 N 3.78 0.00 0.00 2.88 4.81 -1.93 -1.37 114.58 122.75 1i1f h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1i1f h GLU 264 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1i1f h GLU 264 CO 0.35 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.04 1i1f n GLY 265 N -1.48 -1.32 3.66 1.92 0.00 -1.26 -4.73 105.19 101.98 1i1f n GLY 265 Ca -0.00 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1i1f n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1f s LEU 266 N -4.48 3.51 0.28 0.99 1.43 -0.52 -4.05 118.68 115.84 1i1f s LEU 266 Ca 0.05 0.10 0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1i1f s LEU 266 Cb 0.10 -1.80 0.36 0.00 0.03 0.00 0.00 46.19 44.87 1i1f s LEU 266 CO 0.41 0.36 1.59 1.55 0.23 0.00 0.00 176.35 180.49 1i1f h PRO 267 N 5.31 0.00 -3.91 1.29 0.13 -1.84 -3.45 132.00 129.53 1i1f h PRO 267 Ca -0.49 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 1i1f h PRO 267 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 1i1f h PRO 267 CO 0.55 0.59 -0.71 0.21 -0.23 0.00 0.00 178.00 178.41 1i1f s LYS 268 N -3.45 0.19 0.25 0.86 2.20 -1.26 -5.13 119.74 113.41 1i1f s LYS 268 Ca -0.00 -0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 54.96 1i1f s LYS 268 Cb 0.11 0.03 -0.10 0.00 -1.51 0.00 0.00 37.83 36.37 1i1f s LYS 268 CO 0.75 -0.02 1.33 -1.25 -0.36 0.00 0.00 175.35 175.80 1i1f s PRO 269 N -0.81 4.36 0.21 4.03 0.04 -1.26 -4.95 135.00 136.62 1i1f s PRO 269 Ca -0.09 2.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 1i1f s PRO 269 Cb -0.06 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1i1f s PRO 269 CO -0.01 -0.25 0.75 -0.51 0.04 0.00 0.00 177.00 177.02 1i1f s LEU 270 N -0.72 4.39 -0.29 -3.56 1.43 -0.46 -4.90 118.68 114.57 1i1f s LEU 270 Ca 0.55 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 1i1f s LEU 270 Cb -0.39 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.38 1i1f s LEU 270 CO 0.44 0.07 0.03 -0.89 0.23 0.00 0.00 176.35 176.23 1i1f s THR 271 N -1.45 1.51 0.32 5.49 2.01 -1.26 -1.11 115.64 121.16 1i1f s THR 271 Ca 0.42 -1.63 0.08 0.00 0.31 0.00 0.00 61.69 60.87 1i1f s THR 271 Cb -0.18 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1i1f s THR 271 CO 0.22 -0.46 0.22 -0.76 -0.69 0.00 0.00 174.62 173.14 1i1f s LEU 272 N 1.33 3.53 0.02 4.42 1.02 -0.74 -4.94 118.68 123.31 1i1f s LEU 272 Ca 0.05 -0.53 -0.17 0.00 0.02 0.00 0.00 54.13 53.51 1i1f s LEU 272 Cb -0.18 -2.09 0.03 0.00 0.02 0.00 0.00 46.19 43.97 1i1f s LEU 272 CO -0.13 -0.25 0.37 -0.60 0.02 0.00 0.00 176.35 175.76 1i1f s ARG 273 N -3.91 0.82 -0.13 1.70 3.52 -1.26 -1.29 118.95 118.40 1i1f s ARG 273 Ca 0.38 -0.29 -0.23 0.00 -0.13 0.00 0.00 55.73 55.46 1i1f s ARG 273 Cb -0.05 0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 33.67 1i1f s ARG 273 CO 0.25 -0.26 0.69 -0.46 -0.81 0.00 0.00 175.30 174.71 1i1f s TRP 274 N -2.02 3.48 0.00 5.12 -0.11 -1.26 -5.03 118.94 119.11 1i1f s TRP 274 Ca -0.08 1.12 0.00 0.00 1.22 0.00 0.00 56.10 58.36 1i1f s TRP 274 Cb -0.02 -2.83 0.00 0.00 -1.50 0.00 0.00 33.47 29.12 1i1f s TRP 274 CO 0.01 -0.06 0.00 -0.85 -4.62 0.00 0.00 176.95 171.43