#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4f s SER 2 N 0.00 6.41 0.05 1.61 0.01 -1.26 -3.74 113.70 116.77 1i4f s SER 2 Ca 0.00 1.27 -0.04 0.00 1.31 0.00 0.00 55.95 58.49 1i4f s SER 2 Cb 0.00 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1i4f s SER 2 CO 0.00 -0.61 0.07 -1.00 0.41 0.00 0.00 173.24 172.10 1i4f s HIS 3 N -2.74 0.29 0.06 2.43 0.09 -0.64 -5.00 115.29 109.78 1i4f s HIS 3 Ca 0.53 -0.68 0.04 0.00 -0.00 0.00 0.00 55.06 54.95 1i4f s HIS 3 Cb -0.10 -0.20 -0.03 0.00 -0.00 0.00 0.00 32.58 32.25 1i4f s HIS 3 CO 0.41 -0.38 -0.11 -1.12 -0.00 0.00 0.00 174.74 173.53 1i4f s SER 4 N -2.41 1.31 -0.13 1.40 0.01 -1.26 -0.72 113.70 111.89 1i4f s SER 4 Ca -0.01 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.70 1i4f s SER 4 Cb 0.02 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.24 1i4f s SER 4 CO -0.07 -0.12 -0.22 -0.32 0.41 0.00 0.00 173.24 172.92 1i4f s MET 5 N -1.62 3.04 0.00 12.44 -2.45 -0.10 -0.75 119.30 129.85 1i4f s MET 5 Ca -0.05 -0.85 0.02 0.00 -1.25 0.00 0.00 55.69 53.55 1i4f s MET 5 Cb -0.10 -2.42 -0.01 0.00 1.25 0.00 0.00 34.83 33.56 1i4f s MET 5 CO 0.01 0.03 -0.06 1.03 1.05 0.00 0.00 175.02 177.09 1i4f s ARG 6 N 0.71 0.44 -0.04 4.11 0.52 -0.09 -1.46 118.95 123.14 1i4f s ARG 6 Ca -0.10 -0.29 0.06 0.00 -0.52 0.00 0.00 55.73 54.88 1i4f s ARG 6 Cb -0.16 -0.38 -0.02 0.00 0.52 0.00 0.00 34.95 34.91 1i4f s ARG 6 CO 0.01 0.10 -0.21 0.71 0.02 0.00 0.00 175.30 175.92 1i4f s TYR 7 N -0.36 2.48 -0.11 -0.53 1.51 -0.12 -0.44 117.35 119.79 1i4f s TYR 7 Ca -0.00 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1i4f s TYR 7 Cb -0.04 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.26 1i4f s TYR 7 CO -0.00 0.02 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.21 1i4f s PHE 8 N -0.58 2.20 -0.06 2.71 0.40 -0.25 -1.94 117.98 120.45 1i4f s PHE 8 Ca 0.08 -1.00 0.03 0.00 -0.60 0.00 0.00 56.93 55.44 1i4f s PHE 8 Cb -0.11 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1i4f s PHE 8 CO 0.00 -0.47 -0.13 -0.06 0.70 0.00 0.00 175.22 175.27 1i4f s PHE 9 N 0.75 1.46 -0.07 0.36 0.08 -0.09 -1.21 117.98 119.26 1i4f s PHE 9 Ca -0.11 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.44 1i4f s PHE 9 Cb -0.16 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 1i4f s PHE 9 CO 0.02 -0.25 -0.10 0.99 -0.10 0.00 0.00 175.22 175.78 1i4f s THR 10 N 0.56 1.00 -0.06 0.64 2.01 -0.17 -1.24 115.64 118.36 1i4f s THR 10 Ca -0.13 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.55 1i4f s THR 10 Cb -0.15 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 1i4f s THR 10 CO 0.03 0.33 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.54 1i4f s SER 11 N 0.94 2.61 -0.13 3.53 0.15 -0.36 -1.29 113.70 119.15 1i4f s SER 11 Ca -0.10 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1i4f s SER 11 Cb -0.15 -0.90 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 1i4f s SER 11 CO 0.01 0.17 -0.11 -0.69 1.20 0.00 0.00 173.24 173.81 1i4f s VAL 12 N 0.13 1.29 0.58 4.45 1.01 -0.18 -1.22 120.40 126.46 1i4f s VAL 12 Ca -0.09 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1i4f s VAL 12 Cb -0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1i4f s VAL 12 CO 0.04 0.41 1.10 -0.94 0.00 0.00 0.00 175.10 175.71 1i4f s SER 13 N 1.52 5.64 -0.49 3.32 1.04 -0.21 -1.08 113.70 123.45 1i4f s SER 13 Ca 0.03 2.02 0.03 0.00 0.48 0.00 0.00 55.95 58.51 1i4f s SER 13 Cb -0.13 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.57 1i4f s SER 13 CO -0.08 -1.27 0.27 -0.13 0.98 0.00 0.00 173.24 173.01 1i4f s ARG 14 N -3.67 1.66 0.52 4.02 1.81 -1.26 -4.34 118.95 117.69 1i4f s ARG 14 Ca 0.68 -2.37 0.25 0.00 -1.72 0.00 0.00 55.73 52.58 1i4f s ARG 14 Cb -0.20 -2.82 1.43 0.00 -0.45 0.00 0.00 34.95 32.91 1i4f s ARG 14 CO 0.32 -1.15 2.09 -1.00 -0.68 0.00 0.00 175.30 174.88 1i4f h PRO 15 N 6.51 0.00 -0.03 3.54 0.13 -1.85 -2.78 132.00 137.52 1i4f h PRO 15 Ca -0.02 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 1i4f h PRO 15 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1i4f h PRO 15 CO 0.59 0.11 -0.78 0.78 -0.23 0.00 0.00 178.00 178.47 1i4f h GLY 16 N 0.66 0.31 -6.10 1.56 0.00 -1.89 -3.47 103.07 94.14 1i4f h GLY 16 Ca -0.00 -0.48 0.15 0.00 0.00 0.00 0.00 47.33 47.01 1i4f h GLY 16 CO 0.01 0.42 0.65 -1.60 0.00 0.00 0.00 176.54 176.03 1i4f s ARG 17 N -3.44 0.21 0.32 4.80 3.52 -1.05 -5.17 118.95 118.14 1i4f s ARG 17 Ca -0.04 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 1i4f s ARG 17 Cb 0.10 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1i4f s ARG 17 CO 0.83 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.69 1i4f n GLY 18 N 2.62 -2.45 3.95 8.12 0.00 -1.26 -4.77 105.19 111.40 1i4f n GLY 18 Ca -0.15 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 1i4f n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i4f s GLU 19 N -0.58 2.69 0.64 1.61 -1.05 -1.26 -4.57 118.70 116.17 1i4f s GLU 19 Ca 0.00 -0.43 -0.19 0.00 -0.15 0.00 0.00 54.97 54.21 1i4f s GLU 19 Cb 0.00 -2.39 -0.02 0.00 -0.44 0.00 0.00 34.13 31.28 1i4f s GLU 19 CO 0.00 -0.71 1.31 -2.30 0.95 0.00 0.00 175.26 174.51 1i4f n PRO 20 N -2.45 1.20 -2.45 -4.83 -0.02 -1.26 -4.58 135.00 120.60 1i4f n PRO 20 Ca 0.06 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1i4f n PRO 20 Cb 0.59 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1i4f n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1i4f s ARG 21 N -3.31 4.44 -0.08 -0.52 6.06 -0.24 -4.84 118.95 120.46 1i4f s ARG 21 Ca 0.81 1.73 0.01 0.00 -2.50 0.00 0.00 55.73 55.78 1i4f s ARG 21 Cb -0.39 -3.37 0.02 0.00 0.06 0.00 0.00 34.95 31.28 1i4f s ARG 21 CO 0.41 -0.24 -0.09 0.12 -2.50 0.00 0.00 175.30 173.00 1i4f s PHE 22 N 1.10 1.36 -0.08 5.12 5.36 -1.26 -1.02 117.98 128.57 1i4f s PHE 22 Ca 0.58 -0.57 0.02 0.00 -0.96 0.00 0.00 56.93 56.00 1i4f s PHE 22 Cb -0.28 -1.08 0.01 0.00 -0.34 0.00 0.00 43.02 41.33 1i4f s PHE 22 CO 0.29 -0.37 -0.13 0.42 -1.46 0.00 0.00 175.22 173.97 1i4f s ILE 23 N 1.17 1.26 -0.03 3.12 1.01 -0.42 -1.00 121.20 126.31 1i4f s ILE 23 Ca -0.05 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.12 1i4f s ILE 23 Cb -0.14 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1i4f s ILE 23 CO -0.02 0.38 -0.22 0.00 0.00 0.00 0.00 174.94 175.08 1i4f s ALA 24 N 0.71 1.89 0.00 9.38 0.00 -0.03 -1.00 121.76 132.71 1i4f s ALA 24 Ca -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1i4f s ALA 24 Cb -0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1i4f s ALA 24 CO 0.03 0.42 -0.06 0.54 0.00 0.00 0.00 175.76 176.69 1i4f s VAL 25 N -0.37 0.49 0.01 0.00 0.11 -0.35 -0.89 120.40 119.41 1i4f s VAL 25 Ca 0.04 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1i4f s VAL 25 Cb -0.10 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1i4f s VAL 25 CO 0.01 0.04 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.82 1i4f s GLY 26 N -0.41 1.54 0.06 6.54 0.00 -0.69 -1.10 107.32 113.27 1i4f s GLY 26 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 43.66 1i4f s GLY 26 CO -0.00 -0.96 -0.15 -0.19 0.00 0.00 0.00 173.10 171.80 1i4f s TYR 27 N -0.84 1.29 -0.23 1.90 1.51 0.42 -0.42 117.35 120.98 1i4f s TYR 27 Ca 0.13 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1i4f s TYR 27 Cb -0.11 -0.74 -0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1i4f s TYR 27 CO 0.03 0.06 -0.04 0.08 -1.11 0.00 0.00 175.55 174.58 1i4f s VAL 28 N -1.10 3.32 0.00 0.71 1.01 -0.17 -0.91 120.40 123.27 1i4f s VAL 28 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1i4f s VAL 28 Cb -0.09 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1i4f s VAL 28 CO 0.02 0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.97 1i4f n ASP 29 N 4.78 0.00 -1.92 3.32 8.00 0.07 -0.88 116.55 129.92 1i4f n ASP 29 Ca -0.18 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.37 1i4f n ASP 29 Cb 0.50 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.99 1i4f n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i4f n ASP 30 N 4.87 5.59 -4.34 -2.24 8.00 -1.26 -4.88 116.55 122.29 1i4f n ASP 30 Ca 0.00 -3.00 -0.36 0.00 0.71 0.00 0.00 54.79 52.14 1i4f n ASP 30 Cb 0.00 -0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 40.27 1i4f n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i4f s THR 31 N -2.82 3.76 0.21 -3.53 2.01 -0.06 -5.03 115.64 110.18 1i4f s THR 31 Ca 0.55 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1i4f s THR 31 Cb 0.42 -2.84 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 1i4f s THR 31 CO 0.15 0.23 1.16 -1.58 -0.69 0.00 0.00 174.62 173.90 1i4f s GLN 32 N 1.50 4.54 0.00 4.92 0.74 -1.26 -1.00 119.66 129.10 1i4f s GLN 32 Ca 0.04 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.29 1i4f s GLN 32 Cb -0.16 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1i4f s GLN 32 CO 0.00 0.02 0.00 1.97 -0.55 0.00 0.00 175.29 176.73 1i4f n PHE 33 N 2.07 0.00 -3.91 1.67 -1.74 0.44 -4.29 117.46 111.71 1i4f n PHE 33 Ca 0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.83 1i4f n PHE 33 Cb 0.45 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.37 1i4f n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i4f s VAL 34 N -1.36 0.15 0.04 1.97 -7.23 -1.22 -0.36 120.40 112.38 1i4f s VAL 34 Ca 0.00 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.82 1i4f s VAL 34 Cb 0.00 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.73 1i4f s VAL 34 CO 0.00 -0.68 0.25 0.00 -0.31 0.00 0.00 175.10 174.36 1i4f s ARG 35 N -3.44 0.74 -0.03 4.82 1.70 -0.68 -1.70 118.95 120.36 1i4f s ARG 35 Ca 0.02 -0.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.75 1i4f s ARG 35 Cb 0.03 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 1i4f s ARG 35 CO -0.09 -0.22 -0.04 0.12 -1.08 0.00 0.00 175.30 173.99 1i4f s PHE 36 N -2.45 0.62 -0.10 5.89 5.36 -0.07 -0.85 117.98 126.38 1i4f s PHE 36 Ca -0.06 -0.14 -0.00 0.00 -0.96 0.00 0.00 56.93 55.77 1i4f s PHE 36 Cb -0.01 -0.55 0.02 0.00 -0.34 0.00 0.00 43.02 42.14 1i4f s PHE 36 CO -0.03 -0.14 -0.07 0.34 -1.46 0.00 0.00 175.22 173.86 1i4f s ASP 37 N 0.73 2.02 0.61 6.13 -1.08 -1.26 -0.85 116.67 122.97 1i4f s ASP 37 Ca -0.09 -0.26 0.33 0.00 -0.52 0.00 0.00 52.55 52.01 1i4f s ASP 37 Cb -0.12 -0.76 1.95 0.00 -1.46 0.00 0.00 42.92 42.52 1i4f s ASP 37 CO -0.00 -0.12 2.26 0.77 0.52 0.00 0.00 175.17 178.60 1i4f h SER 38 N 8.10 0.00 1.05 -0.34 4.64 -1.46 -1.16 113.55 124.38 1i4f h SER 38 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1i4f h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i4f h SER 38 CO 0.39 0.00 -0.17 0.47 -0.87 0.00 0.00 176.83 176.65 1i4f n ASP 39 N -3.64 0.44 -4.84 4.97 9.92 -1.26 -4.86 116.55 117.28 1i4f n ASP 39 Ca -0.02 0.35 -0.32 0.00 -0.53 0.00 0.00 54.79 54.26 1i4f n ASP 39 Cb 0.12 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.18 1i4f n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i4f s ALA 40 N -3.06 3.05 0.11 2.24 0.00 -0.44 -4.99 121.76 118.68 1i4f s ALA 40 Ca 0.11 0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.48 1i4f s ALA 40 Cb 0.16 -3.13 0.50 0.00 0.00 0.00 0.00 23.12 20.65 1i4f s ALA 40 CO 0.61 -0.16 1.65 0.00 0.00 0.00 0.00 175.76 177.85 1i4f h ALA 41 N 1.14 0.90 -0.27 0.00 0.00 -1.89 -3.29 119.26 115.85 1i4f h ALA 41 Ca -0.47 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 53.95 1i4f h ALA 41 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1i4f h ALA 41 CO 0.61 0.56 -0.15 0.66 0.00 0.00 0.00 179.25 180.93 1i4f h SER 42 N 0.00 0.46 -5.64 0.00 4.64 -1.94 -3.46 113.55 107.61 1i4f h SER 42 Ca -0.00 -0.12 -0.43 0.00 -0.47 0.00 0.00 61.79 60.76 1i4f h SER 42 Cb 1.05 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1i4f h SER 42 CO 0.06 0.64 -0.66 0.00 -0.87 0.00 0.00 176.83 176.00 1i4f n GLN 43 N -4.19 -4.81 -4.19 4.77 1.13 -1.24 -4.98 117.38 103.87 1i4f n GLN 43 Ca 0.00 0.63 -0.18 0.00 -1.94 0.00 0.00 57.00 55.52 1i4f n GLN 43 Cb 0.34 -5.47 -0.12 0.00 0.11 0.00 0.00 30.24 25.10 1i4f n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i4f s ARG 44 N -6.23 0.88 0.32 -1.09 1.81 -1.26 -5.02 118.95 108.35 1i4f s ARG 44 Ca 0.51 -1.06 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 1i4f s ARG 44 Cb -0.25 -0.80 -0.11 0.00 -0.45 0.00 0.00 34.95 33.33 1i4f s ARG 44 CO 0.63 0.17 1.52 1.41 -0.68 0.00 0.00 175.30 178.34 1i4f s MET 45 N -2.14 4.14 0.03 3.54 -2.45 -1.26 -4.70 119.30 116.46 1i4f s MET 45 Ca 0.02 2.53 0.06 0.00 -1.25 0.00 0.00 55.69 57.05 1i4f s MET 45 Cb -0.08 -3.01 -0.02 0.00 1.25 0.00 0.00 34.83 32.97 1i4f s MET 45 CO 0.02 -0.55 -0.16 -1.21 1.05 0.00 0.00 175.02 174.17 1i4f s GLU 46 N -1.16 1.12 0.37 4.11 2.02 -0.03 -4.91 118.70 120.21 1i4f s GLU 46 Ca 0.58 -0.77 -0.26 0.00 0.02 0.00 0.00 54.97 54.54 1i4f s GLU 46 Cb -0.46 -1.15 -0.09 0.00 0.10 0.00 0.00 34.13 32.52 1i4f s GLU 46 CO 0.54 0.29 1.12 -1.25 0.02 0.00 0.00 175.26 175.98 1i4f s PRO 47 N -1.00 4.25 0.00 0.39 0.04 -1.26 -1.68 135.00 135.74 1i4f s PRO 47 Ca 0.04 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1i4f s PRO 47 Cb -0.08 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1i4f s PRO 47 CO 0.01 -0.13 0.30 0.54 0.04 0.00 0.00 177.00 177.77 1i4f n ARG 48 N 0.36 -0.52 -4.06 4.56 5.12 0.51 -4.86 116.66 117.76 1i4f n ARG 48 Ca 0.03 -0.31 -0.13 0.00 -1.93 0.00 0.00 57.85 55.51 1i4f n ARG 48 Cb 0.47 -0.79 -0.12 0.00 -1.16 0.00 0.00 32.46 30.86 1i4f n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i4f s ALA 49 N -0.01 0.45 0.35 7.54 0.00 -1.20 -4.69 121.76 124.19 1i4f s ALA 49 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1i4f s ALA 49 Cb 0.00 0.02 0.64 0.00 0.00 0.00 0.00 23.12 23.78 1i4f s ALA 49 CO 0.00 -0.01 1.90 -1.00 0.00 0.00 0.00 175.76 176.65 1i4f h PRO 50 N 4.96 0.51 0.00 0.00 0.13 -1.95 -2.78 132.00 132.86 1i4f h PRO 50 Ca -0.33 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1i4f h PRO 50 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1i4f h PRO 50 CO 0.43 0.52 0.00 0.11 -0.23 0.00 0.00 178.00 178.84 1i4f h TRP 51 N 0.49 0.00 0.00 1.56 5.08 -1.97 -2.49 115.95 118.62 1i4f h TRP 51 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.08 1i4f h TRP 51 Cb 0.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.45 1i4f h TRP 51 CO 0.01 0.00 -0.68 1.51 -1.28 0.00 0.00 178.44 178.00 1i4f n ILE 52 N -2.73 0.20 0.43 0.12 0.13 -1.05 -3.49 119.36 112.97 1i4f n ILE 52 Ca 0.01 -0.18 0.08 0.00 -1.10 0.00 0.00 62.75 61.57 1i4f n ILE 52 Cb 0.28 0.08 0.35 0.00 -0.84 0.00 0.00 39.64 39.52 1i4f n ILE 52 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1i4f n GLU 53 N -1.88 0.06 0.29 9.51 1.02 -0.94 -1.61 120.64 127.09 1i4f n GLU 53 Ca 0.04 0.33 0.16 0.00 -0.02 0.00 0.00 57.16 57.66 1i4f n GLU 53 Cb 0.40 -1.62 0.85 0.00 -0.02 0.00 0.00 31.44 31.05 1i4f n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1i4f h GLN 54 N 0.00 0.00 -6.81 3.49 4.20 -1.70 -3.44 115.11 110.85 1i4f h GLN 54 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1i4f h GLN 54 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1i4f h GLN 54 CO 0.00 0.06 0.42 -1.21 -0.67 0.00 0.00 178.83 177.44 1i4f s GLU 55 N -4.17 4.65 0.87 1.46 0.41 -0.63 -5.03 118.70 116.27 1i4f s GLU 55 Ca -0.03 1.65 -0.10 0.00 -0.41 0.00 0.00 54.97 56.09 1i4f s GLU 55 Cb 0.13 -3.12 0.18 0.00 -1.78 0.00 0.00 34.13 29.53 1i4f s GLU 55 CO 0.54 0.27 1.20 0.20 -0.49 0.00 0.00 175.26 176.98 1i4f s GLY 56 N -1.09 1.78 0.54 -1.39 0.00 -1.26 -4.90 107.32 101.00 1i4f s GLY 56 Ca 0.45 -1.50 0.20 0.00 0.00 0.00 0.00 44.72 43.88 1i4f s GLY 56 CO 0.36 -0.78 2.14 -2.55 0.00 0.00 0.00 173.10 172.26 1i4f h PRO 57 N -1.22 0.00 -0.20 2.90 0.11 -1.99 -1.31 132.00 130.29 1i4f h PRO 57 Ca -0.40 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 1i4f h PRO 57 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1i4f h PRO 57 CO 0.37 0.00 -0.28 1.05 -0.21 0.00 0.00 178.00 178.92 1i4f h GLU 58 N 0.00 0.39 0.05 1.05 9.09 -1.99 -0.36 114.58 122.81 1i4f h GLU 58 Ca 0.05 -0.15 -0.00 0.00 0.05 0.00 0.00 59.36 59.31 1i4f h GLU 58 Cb 0.20 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1i4f h GLU 58 CO -0.00 0.64 -0.02 -0.92 0.05 0.00 0.00 179.01 178.75 1i4f h TYR 59 N 0.34 -0.06 -0.54 2.06 3.20 -1.59 -2.03 116.97 118.35 1i4f h TYR 59 Ca 0.05 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1i4f h TYR 59 Cb 0.67 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1i4f h TYR 59 CO 0.02 0.13 0.08 -1.49 -1.64 0.00 0.00 178.16 175.26 1i4f h TRP 60 N -0.25 0.90 -0.36 -3.82 4.06 -1.45 0.23 115.95 115.26 1i4f h TRP 60 Ca -0.01 -0.11 -0.06 0.00 2.06 0.00 0.00 58.89 60.78 1i4f h TRP 60 Cb 0.22 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1i4f h TRP 60 CO -0.01 0.78 -0.01 -0.44 -3.56 0.00 0.00 178.44 175.20 1i4f h ASP 61 N 0.82 0.63 -0.24 -3.49 3.32 -1.07 -1.04 116.42 115.34 1i4f h ASP 61 Ca 0.17 -0.31 -0.20 0.00 0.02 0.00 0.00 57.03 56.71 1i4f h ASP 61 Cb 0.38 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1i4f h ASP 61 CO 0.01 0.79 -0.61 1.23 -1.72 0.00 0.00 179.24 178.94 1i4f h GLY 62 N 0.45 0.94 1.38 2.75 0.00 -0.91 -1.32 103.07 106.37 1i4f h GLY 62 Ca 0.10 -1.15 -0.10 0.00 0.00 0.00 0.00 47.33 46.18 1i4f h GLY 62 CO 0.02 1.03 -0.16 0.83 0.00 0.00 0.00 176.54 178.26 1i4f h GLU 63 N 0.64 0.72 -0.34 4.80 4.39 -0.94 -1.64 114.58 122.21 1i4f h GLU 63 Ca -0.00 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1i4f h GLU 63 Cb 1.22 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1i4f h GLU 63 CO 0.13 0.84 0.11 1.15 -1.16 0.00 0.00 179.01 180.08 1i4f h THR 64 N 0.65 1.21 -0.27 1.13 2.02 -1.07 -0.23 112.91 116.34 1i4f h THR 64 Ca 0.10 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.63 1i4f h THR 64 Cb 0.63 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1i4f h THR 64 CO 0.04 0.23 0.15 -0.09 0.37 0.00 0.00 175.52 176.22 1i4f h ARG 65 N 0.40 0.30 -0.46 6.66 2.43 -1.01 -1.03 114.38 121.67 1i4f h ARG 65 Ca 0.11 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 1i4f h ARG 65 Cb 0.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1i4f h ARG 65 CO -0.00 0.20 -0.24 0.87 -1.51 0.00 0.00 179.97 179.29 1i4f h LYS 66 N 0.31 0.97 -0.09 0.20 1.57 -1.18 -1.86 116.57 116.49 1i4f h LYS 66 Ca 0.11 -0.43 -0.13 0.00 -1.87 0.00 0.00 60.65 58.33 1i4f h LYS 66 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1i4f h LYS 66 CO -0.06 1.10 -0.53 0.28 -0.57 0.00 0.00 179.45 179.67 1i4f h VAL 67 N 0.81 1.36 -0.46 0.50 2.07 -0.92 -1.35 116.25 118.25 1i4f h VAL 67 Ca 0.10 -1.80 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 1i4f h VAL 67 Cb 0.82 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1i4f h VAL 67 CO 0.07 0.53 -0.01 0.11 0.02 0.00 0.00 177.57 178.29 1i4f h LYS 68 N 0.19 0.77 -0.62 1.57 1.57 -1.08 -1.50 116.57 117.46 1i4f h LYS 68 Ca 0.00 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1i4f h LYS 68 Cb 0.99 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 1i4f h LYS 68 CO 0.08 0.78 0.21 0.00 -0.57 0.00 0.00 179.45 179.96 1i4f h ALA 69 N 1.27 1.20 -0.93 3.86 0.00 -0.84 -2.01 119.26 121.82 1i4f h ALA 69 Ca 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i4f h ALA 69 Cb 0.45 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1i4f h ALA 69 CO 0.02 0.57 0.61 0.45 0.00 0.00 0.00 179.25 180.90 1i4f h HIS 70 N 0.91 1.15 -0.89 0.00 3.86 -0.86 -1.38 115.15 117.94 1i4f h HIS 70 Ca 0.21 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1i4f h HIS 70 Cb 0.23 -0.39 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 1i4f h HIS 70 CO 0.02 0.70 0.49 1.03 0.86 0.00 0.00 177.93 181.02 1i4f h SER 71 N 1.22 1.11 -0.61 2.45 0.87 -0.65 -1.58 113.55 116.35 1i4f h SER 71 Ca 0.35 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 1i4f h SER 71 Cb -0.08 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 1i4f h SER 71 CO -0.09 0.89 0.01 1.56 -0.53 0.00 0.00 176.83 178.67 1i4f h GLN 72 N 1.25 1.08 -0.47 2.24 1.08 -0.93 -1.17 115.11 118.18 1i4f h GLN 72 Ca 0.31 -0.34 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1i4f h GLN 72 Cb 0.03 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 1i4f h GLN 72 CO -0.05 1.04 0.26 1.15 -0.95 0.00 0.00 178.83 180.29 1i4f h THR 73 N 0.99 1.02 -0.50 -0.54 2.02 -0.75 -1.28 112.91 113.87 1i4f h THR 73 Ca 0.18 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1i4f h THR 73 Cb 0.55 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1i4f h THR 73 CO 0.03 0.10 0.13 0.45 0.37 0.00 0.00 175.52 176.60 1i4f h HIS 74 N 0.53 0.76 -0.52 3.16 3.86 -1.06 -0.30 115.15 121.58 1i4f h HIS 74 Ca 0.19 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1i4f h HIS 74 Cb 0.05 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1i4f h HIS 74 CO -0.08 0.64 0.33 -0.09 0.86 0.00 0.00 177.93 179.59 1i4f h ARG 75 N 0.73 0.65 -0.42 2.45 1.12 -0.84 -0.20 114.38 117.86 1i4f h ARG 75 Ca 0.16 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.97 1i4f h ARG 75 Cb 0.25 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 1i4f h ARG 75 CO -0.00 0.43 0.16 0.28 -3.11 0.00 0.00 179.97 177.73 1i4f h VAL 76 N 0.67 1.20 -0.96 0.20 2.07 -0.87 -2.96 116.25 115.60 1i4f h VAL 76 Ca 0.20 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1i4f h VAL 76 Cb -0.04 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1i4f h VAL 76 CO -0.06 0.23 0.63 0.44 0.02 0.00 0.00 177.57 178.84 1i4f h ASP 77 N 0.54 1.08 -0.73 0.57 3.32 -0.61 -0.40 116.42 120.18 1i4f h ASP 77 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1i4f h ASP 77 Cb 0.21 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1i4f h ASP 77 CO -0.01 0.76 0.44 -0.07 -1.72 0.00 0.00 179.24 178.64 1i4f h LEU 78 N 1.27 0.89 -0.32 1.55 3.38 -0.91 0.12 115.31 121.30 1i4f h LEU 78 Ca 0.37 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 1i4f h LEU 78 Cb -0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1i4f h LEU 78 CO -0.10 0.70 -0.37 1.23 0.09 0.00 0.00 178.44 179.99 1i4f h GLY 79 N 1.05 0.88 0.98 0.83 0.00 -1.14 -2.48 103.07 103.20 1i4f h GLY 79 Ca 0.27 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1i4f h GLY 79 CO -0.05 0.84 0.27 -0.84 0.00 0.00 0.00 176.54 176.76 1i4f h THR 80 N 0.58 1.19 -0.20 4.70 2.02 -0.57 -3.02 112.91 117.62 1i4f h THR 80 Ca 0.04 -0.53 -0.13 0.00 0.77 0.00 0.00 66.41 66.57 1i4f h THR 80 Cb 0.96 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1i4f h THR 80 CO 0.09 0.22 -0.42 -0.07 0.37 0.00 0.00 175.52 175.71 1i4f h LEU 81 N 0.73 0.49 -1.17 2.58 3.38 -0.77 -0.31 115.31 120.23 1i4f h LEU 81 Ca 0.19 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1i4f h LEU 81 Cb 0.09 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1i4f h LEU 81 CO -0.03 0.85 0.58 -0.09 0.09 0.00 0.00 178.44 179.85 1i4f h ARG 82 N 0.38 0.96 0.01 1.13 2.43 -1.34 -1.63 114.38 116.32 1i4f h ARG 82 Ca 0.03 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 58.91 1i4f h ARG 82 Cb 0.89 -0.22 0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1i4f h ARG 82 CO 0.08 0.63 -0.90 0.78 -1.51 0.00 0.00 179.97 179.05 1i4f h GLY 83 N 0.98 0.66 0.83 2.80 0.00 -1.17 -0.03 103.07 107.15 1i4f h GLY 83 Ca 0.39 -1.18 0.08 0.00 0.00 0.00 0.00 47.33 46.63 1i4f h GLY 83 CO -0.15 1.04 0.55 -0.97 0.00 0.00 0.00 176.54 177.01 1i4f h TYR 84 N 0.19 0.91 -0.27 5.60 0.05 -0.76 -1.98 116.97 120.71 1i4f h TYR 84 Ca -0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1i4f h TYR 84 Cb 1.58 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1i4f h TYR 84 CO 0.12 0.45 0.00 0.66 -1.05 0.00 0.00 178.16 178.34 1i4f n TYR 85 N -4.51 0.34 -3.93 4.88 4.01 -0.64 -4.94 117.16 112.38 1i4f n TYR 85 Ca 0.14 -0.17 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 1i4f n TYR 85 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1i4f n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1i4f n ASN 86 N 0.91 -2.01 -4.93 7.72 5.15 -0.75 -4.98 115.26 116.37 1i4f n ASN 86 Ca 0.17 -0.91 -0.26 0.00 -0.60 0.00 0.00 54.58 52.99 1i4f n ASN 86 Cb 0.47 -3.45 -0.02 0.00 -0.53 0.00 0.00 39.78 36.25 1i4f n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i4f s GLN 87 N -6.49 3.53 0.89 1.20 -0.21 -0.07 -5.04 119.66 113.48 1i4f s GLN 87 Ca 0.27 -0.25 -0.11 0.00 0.02 0.00 0.00 55.36 55.28 1i4f s GLN 87 Cb -0.14 -2.70 0.13 0.00 1.00 0.00 0.00 33.01 31.29 1i4f s GLN 87 CO 0.86 0.23 1.09 0.45 -2.12 0.00 0.00 175.29 175.80 1i4f s SER 88 N -3.60 3.48 0.00 5.90 0.15 -1.26 -4.78 113.70 113.60 1i4f s SER 88 Ca 0.41 1.51 0.20 0.00 0.70 0.00 0.00 55.95 58.76 1i4f s SER 88 Cb -0.10 -2.19 0.62 0.00 -1.71 0.00 0.00 66.02 62.64 1i4f s SER 88 CO 0.33 -2.63 1.48 -0.62 1.20 0.00 0.00 173.24 172.99 1i4f n GLU 89 N -3.88 1.93 0.10 5.44 1.02 -1.26 -4.12 120.64 119.87 1i4f n GLU 89 Ca 0.07 -1.41 0.09 0.00 -0.02 0.00 0.00 57.16 55.89 1i4f n GLU 89 Cb 0.55 -1.41 -0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1i4f n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i4f h ALA 90 N 4.11 0.56 -2.24 0.62 0.00 -1.92 -3.44 119.26 116.94 1i4f h ALA 90 Ca 0.00 -0.15 -0.47 0.00 0.00 0.00 0.00 54.91 54.28 1i4f h ALA 90 Cb 0.61 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1i4f h ALA 90 CO 0.00 0.17 -0.29 0.20 0.00 0.00 0.00 179.25 179.33 1i4f s GLY 91 N -4.43 1.33 -0.02 0.00 0.00 -1.26 -4.82 107.32 98.11 1i4f s GLY 91 Ca -0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 43.52 1i4f s GLY 91 CO 0.79 -0.99 0.48 -0.45 0.00 0.00 0.00 173.10 172.93 1i4f s SER 92 N -3.94 6.84 0.22 1.64 0.15 -1.26 -4.56 113.70 112.79 1i4f s SER 92 Ca 0.38 1.00 0.05 0.00 0.70 0.00 0.00 55.95 58.07 1i4f s SER 92 Cb -0.09 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 1i4f s SER 92 CO 0.33 0.19 -0.04 -1.00 1.20 0.00 0.00 173.24 173.91 1i4f s HIS 93 N -0.44 1.59 -0.03 3.44 3.76 -1.26 -4.94 115.29 117.42 1i4f s HIS 93 Ca 0.26 -0.82 0.03 0.00 -0.15 0.00 0.00 55.06 54.38 1i4f s HIS 93 Cb -0.17 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.64 1i4f s HIS 93 CO 0.14 0.08 -0.10 0.99 -0.85 0.00 0.00 174.74 175.00 1i4f s THR 94 N -3.29 0.86 -0.07 1.30 2.01 -1.26 -1.04 115.64 114.15 1i4f s THR 94 Ca 0.26 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1i4f s THR 94 Cb 0.04 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1i4f s THR 94 CO 0.08 0.27 -0.11 0.54 -0.69 0.00 0.00 174.62 174.70 1i4f s VAL 95 N 0.22 3.33 0.01 3.82 0.11 -0.35 -0.80 120.40 126.74 1i4f s VAL 95 Ca -0.04 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.43 1i4f s VAL 95 Cb -0.09 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 32.40 1i4f s VAL 95 CO 0.01 0.59 -0.13 -1.10 -3.33 0.00 0.00 175.10 171.14 1i4f s GLN 96 N -0.64 0.94 -0.01 1.54 -0.21 -0.48 -1.22 119.66 119.58 1i4f s GLN 96 Ca 0.10 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1i4f s GLN 96 Cb -0.11 -0.91 0.01 0.00 1.00 0.00 0.00 33.01 32.99 1i4f s GLN 96 CO 0.01 0.24 -0.00 0.50 -2.12 0.00 0.00 175.29 173.92 1i4f s ARG 97 N -0.65 0.09 -0.03 2.91 3.52 -0.37 -0.75 118.95 123.67 1i4f s ARG 97 Ca 0.03 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1i4f s ARG 97 Cb -0.06 -0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.16 1i4f s ARG 97 CO 0.00 -0.04 -0.08 1.41 -0.81 0.00 0.00 175.30 175.78 1i4f s MET 98 N 0.36 0.91 0.12 5.12 1.75 -0.23 -0.92 119.30 126.42 1i4f s MET 98 Ca -0.03 -0.27 -0.05 0.00 -1.25 0.00 0.00 55.69 54.09 1i4f s MET 98 Cb -0.05 -0.86 -0.02 0.00 2.84 0.00 0.00 34.83 36.74 1i4f s MET 98 CO -0.01 0.08 0.13 1.52 -0.65 0.00 0.00 175.02 176.10 1i4f s TYR 99 N 0.28 0.56 -0.92 4.11 -0.85 -0.82 -0.46 117.35 119.25 1i4f s TYR 99 Ca -0.04 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 1i4f s TYR 99 Cb -0.09 -0.28 0.00 0.00 0.38 0.00 0.00 41.96 41.97 1i4f s TYR 99 CO 0.00 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 173.88 1i4f n GLY 100 N -0.09 -1.42 3.00 5.49 0.00 -0.73 -0.95 105.19 110.49 1i4f n GLY 100 Ca -0.09 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1i4f n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4f s ASP 102 N -1.63 3.51 0.14 0.00 1.01 0.24 -0.92 116.67 119.02 1i4f s ASP 102 Ca -0.13 -0.61 0.09 0.00 0.71 0.00 0.00 52.55 52.61 1i4f s ASP 102 Cb -0.08 -0.39 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 1i4f s ASP 102 CO -0.02 0.21 -0.17 0.68 0.21 0.00 0.00 175.17 176.09 1i4f s VAL 103 N -1.00 2.86 0.00 -1.27 -7.23 0.10 -0.92 120.40 112.95 1i4f s VAL 103 Ca 0.15 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1i4f s VAL 103 Cb -0.10 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1i4f s VAL 103 CO 0.06 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1i4f n GLY 104 N 0.54 0.27 0.16 2.32 0.00 -0.56 -1.62 105.19 106.31 1i4f n GLY 104 Ca -0.14 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.15 1i4f n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1i4f h SER 105 N 0.00 0.00 -0.04 1.61 0.02 -1.90 -0.52 113.55 112.71 1i4f h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i4f h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1i4f h SER 105 CO 0.00 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.79 1i4f n ASP 106 N -2.43 0.64 -1.44 3.07 5.68 -1.26 -4.92 116.55 115.89 1i4f n ASP 106 Ca 0.02 -1.40 -0.19 0.00 -0.50 0.00 0.00 54.79 52.73 1i4f n ASP 106 Cb 0.26 -0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 40.14 1i4f n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i4f n TRP 107 N -0.42 -0.02 -4.14 2.11 7.02 -0.20 -5.00 117.44 116.78 1i4f n TRP 107 Ca 0.18 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.41 1i4f n TRP 107 Cb 0.19 -3.17 -0.06 0.00 -2.42 0.00 0.00 31.31 25.85 1i4f n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i4f s ARG 108 N -3.61 2.73 0.07 -0.99 0.52 -1.26 -4.86 118.95 111.55 1i4f s ARG 108 Ca 0.00 -1.01 -0.37 0.00 -0.52 0.00 0.00 55.73 53.83 1i4f s ARG 108 Cb 0.00 -2.51 -0.18 0.00 0.52 0.00 0.00 34.95 32.77 1i4f s ARG 108 CO 0.00 0.45 1.15 0.34 0.02 0.00 0.00 175.30 177.26 1i4f n PHE 109 N -0.50 0.97 -0.03 -0.53 7.35 -1.26 -1.49 117.46 121.97 1i4f n PHE 109 Ca -0.08 0.85 -0.07 0.00 -0.76 0.00 0.00 57.45 57.39 1i4f n PHE 109 Cb 0.56 -2.19 -0.02 0.00 0.35 0.00 0.00 39.48 38.17 1i4f n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i4f n LEU 110 N 1.97 0.68 -3.44 -2.13 7.94 -0.09 -4.74 117.00 117.19 1i4f n LEU 110 Ca 0.19 0.11 -0.12 0.00 -1.11 0.00 0.00 56.01 55.08 1i4f n LEU 110 Cb 0.15 -0.26 -0.02 0.00 0.53 0.00 0.00 43.42 43.82 1i4f n LEU 110 CO 0.61 -0.00 0.45 0.00 -1.11 0.00 0.00 177.39 177.34 1i4f s ARG 111 N -2.16 1.19 0.19 1.96 1.70 -1.19 -5.00 118.95 115.64 1i4f s ARG 111 Ca -0.10 -0.39 0.02 0.00 -0.47 0.00 0.00 55.73 54.79 1i4f s ARG 111 Cb 0.03 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 1i4f s ARG 111 CO 0.13 -0.51 0.00 0.20 -1.08 0.00 0.00 175.30 174.04 1i4f s GLY 112 N -2.59 1.32 0.00 3.88 0.00 -1.26 -0.59 107.32 108.09 1i4f s GLY 112 Ca 0.01 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 42.80 1i4f s GLY 112 CO -0.11 -1.56 0.72 -2.52 0.00 0.00 0.00 173.10 169.63 1i4f s TYR 113 N -3.60 -0.55 -0.25 1.90 -0.85 -0.71 -4.91 117.35 108.38 1i4f s TYR 113 Ca 0.26 0.72 -0.06 0.00 -0.52 0.00 0.00 57.07 57.46 1i4f s TYR 113 Cb 0.06 0.47 0.12 0.00 0.38 0.00 0.00 41.96 42.99 1i4f s TYR 113 CO 0.05 -0.64 0.50 -1.58 -1.52 0.00 0.00 175.55 172.37 1i4f s HIS 114 N -2.15 -1.05 0.01 -3.49 2.46 -1.26 -1.78 115.29 108.02 1i4f s HIS 114 Ca -0.04 1.67 0.04 0.00 0.47 0.00 0.00 55.06 57.20 1i4f s HIS 114 Cb -0.00 0.43 -0.01 0.00 -0.13 0.00 0.00 32.58 32.86 1i4f s HIS 114 CO -0.00 -0.62 -0.14 -0.65 -2.47 0.00 0.00 174.74 170.86 1i4f s GLN 115 N 2.71 1.06 -0.02 2.88 -1.52 0.39 -1.13 119.66 124.04 1i4f s GLN 115 Ca 0.02 -0.58 0.02 0.00 -1.95 0.00 0.00 55.36 52.87 1i4f s GLN 115 Cb -0.13 -1.05 0.00 0.00 -0.22 0.00 0.00 33.01 31.62 1i4f s GLN 115 CO -0.16 0.28 -0.05 -0.47 -0.25 0.00 0.00 175.29 174.63 1i4f s TYR 116 N -0.49 0.59 0.07 0.91 6.14 -0.11 -1.07 117.35 123.40 1i4f s TYR 116 Ca 0.04 -0.12 0.06 0.00 0.64 0.00 0.00 57.07 57.69 1i4f s TYR 116 Cb -0.06 -0.44 -0.03 0.00 0.42 0.00 0.00 41.96 41.85 1i4f s TYR 116 CO 0.00 -0.06 -0.17 0.00 0.64 0.00 0.00 175.55 175.96 1i4f s ALA 117 N 0.19 1.44 -0.09 3.97 0.00 0.08 -1.03 121.76 126.31 1i4f s ALA 117 Ca -0.02 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1i4f s ALA 117 Cb -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1i4f s ALA 117 CO -0.00 0.27 -0.18 -0.47 0.00 0.00 0.00 175.76 175.38 1i4f s TYR 118 N -1.07 2.05 -1.60 0.00 5.04 -0.63 -1.38 117.35 119.75 1i4f s TYR 118 Ca 0.03 -0.87 -0.15 0.00 -2.44 0.00 0.00 57.07 53.63 1i4f s TYR 118 Cb -0.09 -1.43 0.11 0.00 0.35 0.00 0.00 41.96 40.90 1i4f s TYR 118 CO 0.03 -0.40 0.89 -0.25 -1.34 0.00 0.00 175.55 174.47 1i4f n ASP 119 N 3.85 -4.05 -0.25 4.32 8.00 0.02 -2.17 116.55 126.26 1i4f n ASP 119 Ca -0.20 -0.88 -0.03 0.00 0.71 0.00 0.00 54.79 54.38 1i4f n ASP 119 Cb 0.52 -3.40 -0.01 0.00 -0.02 0.00 0.00 41.12 38.21 1i4f n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4f n GLY 120 N -1.57 0.64 3.21 0.44 0.00 -1.26 -5.02 105.19 101.62 1i4f n GLY 120 Ca 0.05 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1i4f n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4f s LYS 121 N -1.86 1.09 0.24 1.61 1.02 -0.92 -5.10 119.74 115.81 1i4f s LYS 121 Ca 0.00 -0.92 -0.31 0.00 0.02 0.00 0.00 55.97 54.76 1i4f s LYS 121 Cb 0.00 -1.18 -0.14 0.00 -0.52 0.00 0.00 37.83 35.99 1i4f s LYS 121 CO 0.00 0.29 1.25 -0.25 -0.92 0.00 0.00 175.35 175.72 1i4f n ASP 122 N 1.62 2.06 0.01 2.83 8.00 -1.26 -1.61 116.55 128.20 1i4f n ASP 122 Ca -0.19 1.16 -0.00 0.00 0.71 0.00 0.00 54.79 56.47 1i4f n ASP 122 Cb 0.54 -1.34 -0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1i4f n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i4f n TYR 123 N 1.32 0.00 -3.82 1.24 9.36 -0.20 -4.71 117.16 120.35 1i4f n TYR 123 Ca 0.12 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.21 1i4f n TYR 123 Cb 0.30 -0.01 -0.10 0.00 -0.63 0.00 0.00 39.34 38.90 1i4f n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i4f s ILE 124 N -1.37 0.06 -0.02 2.97 2.07 -1.04 -1.58 121.20 122.29 1i4f s ILE 124 Ca -0.01 -0.46 -0.13 0.00 -1.41 0.00 0.00 60.65 58.64 1i4f s ILE 124 Cb 0.00 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.14 1i4f s ILE 124 CO 0.01 -0.26 0.27 0.00 -1.91 0.00 0.00 174.94 173.06 1i4f s ALA 125 N -1.02 -0.69 0.37 1.50 0.00 -0.56 -0.93 121.76 120.43 1i4f s ALA 125 Ca -0.11 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 1i4f s ALA 125 Cb -0.05 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 1i4f s ALA 125 CO 0.02 -0.24 1.17 -1.17 0.00 0.00 0.00 175.76 175.54 1i4f s LEU 126 N -1.25 4.28 0.84 0.00 2.96 -0.28 -0.43 118.68 124.80 1i4f s LEU 126 Ca -0.13 2.37 -0.12 0.00 -0.22 0.00 0.00 54.13 56.04 1i4f s LEU 126 Cb -0.06 -3.91 0.09 0.00 0.50 0.00 0.00 46.19 42.82 1i4f s LEU 126 CO 0.03 -0.56 1.11 -0.54 -1.32 0.00 0.00 176.35 175.07 1i4f s LYS 127 N -2.09 1.75 0.31 1.98 1.02 0.28 -4.70 119.74 118.29 1i4f s LYS 127 Ca 0.54 0.57 0.07 0.00 0.02 0.00 0.00 55.97 57.16 1i4f s LYS 127 Cb -0.32 -1.89 0.75 0.00 -0.52 0.00 0.00 37.83 35.86 1i4f s LYS 127 CO 0.41 -1.84 1.80 1.49 -0.92 0.00 0.00 175.35 176.28 1i4f h GLU 128 N -1.25 0.74 0.00 1.68 4.57 -1.91 -0.50 114.58 117.92 1i4f h GLU 128 Ca -0.48 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1i4f h GLU 128 Cb 1.29 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1i4f h GLU 128 CO 0.59 0.49 0.00 -0.40 -1.18 0.00 0.00 179.01 178.51 1i4f n ASP 129 N -4.71 0.00 -1.00 1.04 3.85 -1.26 -4.76 116.55 109.71 1i4f n ASP 129 Ca 0.22 -0.02 -0.13 0.00 -0.71 0.00 0.00 54.79 54.15 1i4f n ASP 129 Cb 0.55 -0.29 -0.05 0.00 -1.35 0.00 0.00 41.12 39.97 1i4f n ASP 129 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1i4f n LEU 130 N -1.29 -0.95 0.00 -2.12 4.77 -0.20 -4.85 117.00 112.36 1i4f n LEU 130 Ca 0.11 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1i4f n LEU 130 Cb 0.19 -1.97 0.00 0.00 -2.33 0.00 0.00 43.42 39.31 1i4f n LEU 130 CO 0.18 -0.67 0.10 0.54 -1.33 0.00 0.00 177.39 176.21 1i4f n ARG 131 N -2.62 2.80 -3.96 3.23 1.74 -1.26 -4.62 116.66 111.98 1i4f n ARG 131 Ca -0.13 -0.20 -0.09 0.00 -0.77 0.00 0.00 57.85 56.67 1i4f n ARG 131 Cb 0.43 -0.66 -0.05 0.00 -1.02 0.00 0.00 32.46 31.16 1i4f n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i4f s SER 132 N -0.46 -0.12 0.07 0.55 1.04 -1.26 -4.95 113.70 108.58 1i4f s SER 132 Ca 0.00 -0.85 0.09 0.00 0.48 0.00 0.00 55.95 55.67 1i4f s SER 132 Cb 0.00 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1i4f s SER 132 CO 0.00 -1.15 -0.21 0.26 0.98 0.00 0.00 173.24 173.12 1i4f s TRP 133 N -3.99 2.47 -0.34 5.02 0.52 -1.26 -0.56 118.94 120.80 1i4f s TRP 133 Ca 0.20 -0.31 -0.09 0.00 0.02 0.00 0.00 56.10 55.91 1i4f s TRP 133 Cb -0.01 -1.39 0.01 0.00 -1.15 0.00 0.00 33.47 30.93 1i4f s TRP 133 CO 0.07 0.27 0.16 0.99 0.02 0.00 0.00 176.95 178.47 1i4f s THR 134 N -0.98 4.41 -0.20 2.01 2.01 0.43 -4.86 115.64 118.47 1i4f s THR 134 Ca 0.15 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1i4f s THR 134 Cb -0.10 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1i4f s THR 134 CO 0.06 -0.07 0.11 0.00 -0.69 0.00 0.00 174.62 174.03 1i4f s ALA 135 N 1.55 3.58 -0.12 7.40 0.00 -1.26 -1.50 121.76 131.40 1i4f s ALA 135 Ca 0.03 -0.73 0.16 0.00 0.00 0.00 0.00 51.96 51.42 1i4f s ALA 135 Cb -0.18 -2.10 0.18 0.00 0.00 0.00 0.00 23.12 21.03 1i4f s ALA 135 CO 0.05 0.13 1.50 0.00 0.00 0.00 0.00 175.76 177.44 1i4f h ALA 136 N 6.77 0.73 -2.97 0.00 0.00 -1.58 -3.48 119.26 118.74 1i4f h ALA 136 Ca -0.39 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 53.95 1i4f h ALA 136 Cb 1.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1i4f h ALA 136 CO 0.73 0.57 0.06 0.16 0.00 0.00 0.00 179.25 180.76 1i4f s ASP 137 N -6.43 0.51 0.31 0.00 1.47 -1.26 -5.05 116.67 106.21 1i4f s ASP 137 Ca 0.04 -1.35 0.11 0.00 1.18 0.00 0.00 52.55 52.52 1i4f s ASP 137 Cb 0.08 0.77 0.48 0.00 -0.34 0.00 0.00 42.92 43.91 1i4f s ASP 137 CO 0.73 -1.53 1.68 0.24 0.68 0.00 0.00 175.17 176.97 1i4f h MET 138 N 2.04 0.00 -0.07 2.11 2.86 -1.99 -2.64 114.93 117.23 1i4f h MET 138 Ca -0.31 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1i4f h MET 138 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 1i4f h MET 138 CO 0.40 0.54 -0.02 0.00 1.06 0.00 0.00 176.91 178.89 1i4f h ALA 139 N 1.46 0.05 0.00 6.32 0.00 -1.97 -2.26 119.26 122.86 1i4f h ALA 139 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1i4f h ALA 139 Cb 0.95 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1i4f h ALA 139 CO 0.07 -0.49 -0.03 0.00 0.00 0.00 0.00 179.25 178.79 1i4f h ALA 140 N 1.07 1.16 -0.41 0.00 0.00 -1.79 -1.57 119.26 117.71 1i4f h ALA 140 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1i4f h ALA 140 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1i4f h ALA 140 CO -0.08 0.04 0.07 1.96 0.00 0.00 0.00 179.25 181.24 1i4f h GLN 141 N 0.00 0.62 -0.28 0.00 1.08 -1.06 0.35 115.11 115.81 1i4f h GLN 141 Ca -0.00 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1i4f h GLN 141 Cb 0.17 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 1i4f h GLN 141 CO 0.00 0.59 0.01 1.79 -0.95 0.00 0.00 178.83 180.27 1i4f h THR 142 N 0.60 0.81 -0.40 -0.54 1.35 -1.31 -1.43 112.91 111.98 1i4f h THR 142 Ca 0.13 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.95 1i4f h THR 142 Cb 0.28 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 1i4f h THR 142 CO 0.00 0.02 0.20 0.74 -0.25 0.00 0.00 175.52 176.23 1i4f h THR 143 N 0.09 1.17 -0.31 6.82 2.02 -1.46 -1.66 112.91 119.59 1i4f h THR 143 Ca 0.13 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1i4f h THR 143 Cb 0.17 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 1i4f h THR 143 CO -0.22 0.18 0.00 0.50 0.37 0.00 0.00 175.52 176.36 1i4f h LYS 144 N 0.52 0.09 -0.46 6.66 3.64 -0.76 0.78 116.57 127.04 1i4f h LYS 144 Ca 0.14 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1i4f h LYS 144 Cb 0.10 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1i4f h LYS 144 CO -0.02 0.06 -0.06 0.45 -2.27 0.00 0.00 179.45 177.61 1i4f h HIS 145 N 0.10 0.87 -0.47 1.91 3.86 -1.11 0.85 115.15 121.15 1i4f h HIS 145 Ca 0.15 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1i4f h HIS 145 Cb 0.19 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1i4f h HIS 145 CO -0.22 0.84 0.22 -0.22 0.86 0.00 0.00 177.93 179.40 1i4f h LYS 146 N 0.74 0.68 -0.11 2.45 3.64 -0.86 -1.80 116.57 121.31 1i4f h LYS 146 Ca 0.13 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1i4f h LYS 146 Cb 0.54 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1i4f h LYS 146 CO 0.03 0.59 -0.60 -1.49 -2.27 0.00 0.00 179.45 175.71 1i4f h TRP 147 N 0.61 0.49 -0.55 1.91 6.55 -0.56 -2.25 115.95 122.15 1i4f h TRP 147 Ca 0.16 -0.18 -0.05 0.00 0.95 0.00 0.00 58.89 59.77 1i4f h TRP 147 Cb 0.14 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.33 1i4f h TRP 147 CO -0.01 0.88 0.15 0.93 -1.05 0.00 0.00 178.44 179.34 1i4f h GLU 148 N 0.29 0.88 -0.43 0.49 5.08 -0.72 -1.01 114.58 119.15 1i4f h GLU 148 Ca -0.00 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1i4f h GLU 148 Cb 1.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1i4f h GLU 148 CO 0.10 0.81 0.06 0.00 -1.00 0.00 0.00 179.01 178.98 1i4f h ALA 149 N 1.02 1.29 -0.40 3.43 0.00 -1.10 -2.52 119.26 120.99 1i4f h ALA 149 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i4f h ALA 149 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1i4f h ALA 149 CO -0.00 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1i4f n ALA 150 N -2.47 2.45 -3.82 0.00 0.00 -0.87 -4.95 120.51 110.85 1i4f n ALA 150 Ca 0.03 -0.82 -0.26 0.00 0.00 0.00 0.00 53.44 52.39 1i4f n ALA 150 Cb 0.24 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1i4f n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i4f n HIS 151 N 0.92 -2.17 -0.03 0.00 -0.00 -0.74 -4.90 115.22 108.30 1i4f n HIS 151 Ca 0.17 0.88 -0.07 0.00 -0.00 0.00 0.00 57.72 58.71 1i4f n HIS 151 Cb 0.44 -4.19 0.11 0.00 -0.00 0.00 0.00 29.99 26.35 1i4f n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i4f h VAL 152 N -2.03 1.29 -0.46 1.59 2.07 -1.48 -2.90 116.25 114.32 1i4f h VAL 152 Ca -0.59 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 65.49 1i4f h VAL 152 Cb 1.37 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1i4f h VAL 152 CO 0.62 0.47 0.28 0.00 0.02 0.00 0.00 177.57 178.96 1i4f h ALA 153 N 1.11 0.59 -0.63 1.67 0.00 -1.90 -0.76 119.26 119.35 1i4f h ALA 153 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1i4f h ALA 153 Cb 0.83 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1i4f h ALA 153 CO 0.07 -0.03 0.26 1.49 0.00 0.00 0.00 179.25 181.04 1i4f h GLU 154 N 0.56 0.91 -0.56 0.00 4.81 -1.77 0.15 114.58 118.68 1i4f h GLU 154 Ca 0.18 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1i4f h GLU 154 Cb 0.01 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1i4f h GLU 154 CO -0.08 0.73 -0.09 1.96 -0.73 0.00 0.00 179.01 180.80 1i4f h GLN 155 N 0.89 1.04 -0.31 1.92 4.20 -1.23 -1.51 115.11 120.11 1i4f h GLN 155 Ca 0.21 -0.37 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 1i4f h GLN 155 Cb 0.16 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1i4f h GLN 155 CO -0.02 1.07 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.82 1i4f h LEU 156 N 0.93 0.81 -1.12 1.46 3.38 -0.81 -3.07 115.31 116.89 1i4f h LEU 156 Ca 0.15 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1i4f h LEU 156 Cb 0.66 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1i4f h LEU 156 CO 0.05 1.12 0.33 -0.09 0.09 0.00 0.00 178.44 179.93 1i4f h ARG 157 N 0.52 0.94 -0.76 1.13 2.43 -0.58 0.13 114.38 118.19 1i4f h ARG 157 Ca 0.05 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1i4f h ARG 157 Cb 0.89 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 1i4f h ARG 157 CO 0.08 0.72 0.43 0.00 -1.51 0.00 0.00 179.97 179.69 1i4f h ALA 158 N 1.42 1.05 -0.00 2.80 0.00 -1.19 -0.06 119.26 123.27 1i4f h ALA 158 Ca 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i4f h ALA 158 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1i4f h ALA 158 CO -0.03 0.09 -0.01 -0.92 0.00 0.00 0.00 179.25 178.37 1i4f h TYR 159 N 0.75 0.02 -0.64 0.00 3.20 -1.29 -2.56 116.97 116.46 1i4f h TYR 159 Ca 0.35 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1i4f h TYR 159 Cb 0.27 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1i4f h TYR 159 CO -0.07 0.61 0.34 -0.07 -1.64 0.00 0.00 178.16 177.33 1i4f h LEU 160 N -0.58 0.79 -0.27 2.82 3.38 -0.73 0.11 115.31 120.85 1i4f h LEU 160 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1i4f h LEU 160 Cb 0.61 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1i4f h LEU 160 CO 0.00 0.65 -0.40 -0.62 0.09 0.00 0.00 178.44 178.16 1i4f n GLU 161 N -4.37 0.44 0.00 1.13 1.02 -0.06 -4.09 120.64 114.71 1i4f n GLU 161 Ca 0.06 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1i4f n GLU 161 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1i4f n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i4f n GLY 162 N 1.42 0.91 0.30 0.62 0.00 -0.78 -4.78 105.19 102.88 1i4f n GLY 162 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1i4f n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i4f h THR 163 N 0.00 0.66 -0.15 2.61 2.02 -1.63 -1.80 112.91 114.61 1i4f h THR 163 Ca 0.00 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1i4f h THR 163 Cb 0.00 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1i4f h THR 163 CO 0.00 0.10 -0.01 0.00 0.37 0.00 0.00 175.52 175.98 1i4f h VAL 165 N 0.04 1.25 -0.54 0.00 2.07 -1.54 -1.63 116.25 115.90 1i4f h VAL 165 Ca 0.07 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1i4f h VAL 165 Cb 0.09 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1i4f h VAL 165 CO -0.13 0.35 0.08 -0.33 0.02 0.00 0.00 177.57 177.57 1i4f h GLU 166 N 0.93 0.89 -0.21 1.57 5.08 -0.91 -0.86 114.58 121.08 1i4f h GLU 166 Ca 0.19 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1i4f h GLU 166 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1i4f h GLU 166 CO 0.01 0.87 0.11 -1.49 -1.00 0.00 0.00 179.01 177.51 1i4f h TRP 167 N 0.78 0.29 -0.52 4.33 4.06 -0.95 -1.94 115.95 122.00 1i4f h TRP 167 Ca 0.16 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.15 1i4f h TRP 167 Cb 0.42 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.44 1i4f h TRP 167 CO 0.03 0.27 0.24 1.25 -3.56 0.00 0.00 178.44 176.68 1i4f h LEU 168 N 0.22 0.33 -0.97 -4.49 5.85 -1.06 -0.04 115.31 115.15 1i4f h LEU 168 Ca 0.07 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1i4f h LEU 168 Cb 0.09 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1i4f h LEU 168 CO -0.01 0.23 0.26 0.03 -0.34 0.00 0.00 178.44 178.61 1i4f h ARG 169 N 0.47 1.01 -0.38 1.25 3.08 -1.03 0.45 114.38 119.23 1i4f h ARG 169 Ca 0.23 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1i4f h ARG 169 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1i4f h ARG 169 CO -0.18 0.83 0.19 -0.09 -1.07 0.00 0.00 179.97 179.64 1i4f h ARG 170 N 0.99 0.54 -0.52 0.04 2.43 -0.53 -2.46 114.38 114.86 1i4f h ARG 170 Ca 0.23 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1i4f h ARG 170 Cb 0.20 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1i4f h ARG 170 CO -0.02 0.48 0.12 1.88 -1.51 0.00 0.00 179.97 180.92 1i4f h TYR 171 N 0.48 0.88 -0.53 2.20 0.05 -0.68 -0.70 116.97 118.67 1i4f h TYR 171 Ca 0.13 -0.11 0.04 0.00 0.05 0.00 0.00 58.73 58.84 1i4f h TYR 171 Cb 0.11 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 1i4f h TYR 171 CO -0.02 0.78 0.29 -0.07 -1.05 0.00 0.00 178.16 178.09 1i4f h LEU 172 N 0.73 0.44 -0.12 3.88 3.38 -0.84 0.14 115.31 122.92 1i4f h LEU 172 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1i4f h LEU 172 Cb 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1i4f h LEU 172 CO 0.00 0.30 -0.00 -0.08 0.09 0.00 0.00 178.44 178.75 1i4f h GLU 173 N 0.56 0.20 -0.42 1.13 4.81 -1.21 -2.04 114.58 117.63 1i4f h GLU 173 Ca 0.23 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1i4f h GLU 173 Cb 0.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1i4f h GLU 173 CO -0.14 0.45 0.04 -0.91 -0.73 0.00 0.00 179.01 177.73 1i4f h ASN 174 N -0.07 0.60 -0.83 1.04 2.35 -0.86 -2.66 115.58 115.16 1i4f h ASN 174 Ca 0.03 -0.11 -0.39 0.00 -0.55 0.00 0.00 56.30 55.28 1i4f h ASN 174 Cb 0.36 -0.16 -0.23 0.00 0.05 0.00 0.00 38.32 38.34 1i4f h ASN 174 CO 0.01 0.65 0.45 0.61 -1.65 0.00 0.00 177.43 177.49 1i4f n GLY 175 N -0.86 4.34 0.35 2.83 0.00 0.47 -4.76 105.19 107.56 1i4f n GLY 175 Ca 0.02 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 45.03 1i4f n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i4f h LYS 176 N 1.44 0.72 -0.00 1.61 2.10 -0.99 1.00 116.57 122.45 1i4f h LYS 176 Ca 0.47 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1i4f h LYS 176 Cb 2.55 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 33.71 1i4f h LYS 176 CO 0.90 0.47 0.00 0.93 -2.00 0.00 0.00 179.45 179.75 1i4f h GLU 177 N 0.74 0.00 0.00 0.07 3.07 -1.86 -2.67 114.58 113.93 1i4f h GLU 177 Ca 0.32 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.13 1i4f h GLU 177 Cb 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1i4f h GLU 177 CO -0.11 0.00 -1.17 0.25 -1.40 0.00 0.00 179.01 176.58 1i4f n THR 178 N -3.65 0.17 0.22 1.13 -2.24 -0.76 -4.52 114.28 104.63 1i4f n THR 178 Ca -0.03 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1i4f n THR 178 Cb 0.08 -1.28 0.50 0.00 -2.10 0.00 0.00 70.33 67.52 1i4f n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i4f h LEU 179 N -0.08 0.00 -3.24 3.22 3.38 -0.91 -2.45 115.31 115.22 1i4f h LEU 179 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i4f h LEU 179 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1i4f h LEU 179 CO -0.04 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1i4f n GLN 180 N -4.27 3.35 -4.35 1.13 6.02 -1.00 -4.91 117.38 113.35 1i4f n GLN 180 Ca -0.02 -2.79 -0.34 0.00 -0.01 0.00 0.00 57.00 53.83 1i4f n GLN 180 Cb 0.26 -1.84 -0.11 0.00 1.02 0.00 0.00 30.24 29.57 1i4f n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i4f s ARG 181 N -2.44 3.43 -0.03 -1.09 3.52 -0.92 -5.00 118.95 116.41 1i4f s ARG 181 Ca 0.43 -0.46 -0.10 0.00 -0.13 0.00 0.00 55.73 55.47 1i4f s ARG 181 Cb 0.32 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.77 1i4f s ARG 181 CO 0.13 0.43 0.29 0.95 -0.81 0.00 0.00 175.30 176.29 1i4f s THR 182 N -0.13 5.25 -0.39 4.11 -4.23 -1.26 -4.85 115.64 114.13 1i4f s THR 182 Ca 0.04 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.92 1i4f s THR 182 Cb -0.13 -3.57 0.08 0.00 1.34 0.00 0.00 72.50 70.22 1i4f s THR 182 CO 0.02 0.51 0.19 -1.81 -0.54 0.00 0.00 174.62 172.99 1i4f s ASP 183 N -1.29 5.40 0.55 3.99 1.01 -0.12 -4.96 116.67 121.25 1i4f s ASP 183 Ca 0.23 -1.56 -0.21 0.00 0.71 0.00 0.00 52.55 51.72 1i4f s ASP 183 Cb -0.14 -1.89 -0.05 0.00 1.01 0.00 0.00 42.92 41.85 1i4f s ASP 183 CO 0.12 -0.48 1.25 0.00 0.21 0.00 0.00 175.17 176.27 1i4f s ALA 184 N 1.33 2.72 0.37 5.23 0.00 -1.26 -1.37 121.76 128.77 1i4f s ALA 184 Ca 0.03 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 1i4f s ALA 184 Cb -0.22 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 1i4f s ALA 184 CO 0.00 -1.12 1.42 -1.25 0.00 0.00 0.00 175.76 174.81 1i4f s PRO 185 N -3.06 4.16 -0.36 0.00 0.04 -1.26 -4.56 135.00 129.96 1i4f s PRO 185 Ca 0.73 2.45 -0.21 0.00 0.04 0.00 0.00 61.00 64.00 1i4f s PRO 185 Cb -0.33 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1i4f s PRO 185 CO 0.38 -0.44 0.69 0.15 0.04 0.00 0.00 177.00 177.82 1i4f s LYS 186 N -2.02 3.70 0.04 4.56 1.02 0.02 -4.84 119.74 122.23 1i4f s LYS 186 Ca 0.52 0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.72 1i4f s LYS 186 Cb -0.44 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.02 1i4f s LYS 186 CO 0.59 -0.78 -0.12 0.95 -0.92 0.00 0.00 175.35 175.07 1i4f s THR 187 N 2.86 3.21 0.16 2.17 -4.23 -1.26 -1.17 115.64 117.38 1i4f s THR 187 Ca 0.27 -1.07 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1i4f s THR 187 Cb -0.14 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.35 1i4f s THR 187 CO 0.16 0.30 0.57 -1.38 -0.54 0.00 0.00 174.62 173.72 1i4f s HIS 188 N -1.02 -0.42 -0.01 3.99 -3.43 -0.98 -5.00 115.29 108.42 1i4f s HIS 188 Ca 0.17 0.16 0.06 0.00 -0.80 0.00 0.00 55.06 54.66 1i4f s HIS 188 Cb -0.11 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 31.52 1i4f s HIS 188 CO 0.08 -0.85 -0.20 1.41 -2.00 0.00 0.00 174.74 173.18 1i4f s MET 189 N -3.78 2.21 0.29 -0.38 1.75 -1.26 -0.85 119.30 117.29 1i4f s MET 189 Ca 0.03 -0.87 0.10 0.00 -1.25 0.00 0.00 55.69 53.69 1i4f s MET 189 Cb -0.01 -2.19 -0.05 0.00 2.84 0.00 0.00 34.83 35.43 1i4f s MET 189 CO -0.11 0.57 -0.01 0.95 -0.65 0.00 0.00 175.02 175.77 1i4f s THR 190 N -0.74 3.08 -0.02 10.11 -4.23 -0.31 -4.96 115.64 118.56 1i4f s THR 190 Ca 0.12 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1i4f s THR 190 Cb -0.10 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.00 1i4f s THR 190 CO 0.01 -0.32 0.02 -2.28 -0.54 0.00 0.00 174.62 171.51 1i4f s HIS 191 N -2.41 0.12 -0.09 3.99 5.04 -1.26 -1.57 115.29 119.12 1i4f s HIS 191 Ca 0.33 0.09 -0.11 0.00 -1.54 0.00 0.00 55.06 53.82 1i4f s HIS 191 Cb -0.04 -0.29 0.03 0.00 0.04 0.00 0.00 32.58 32.31 1i4f s HIS 191 CO 0.19 -0.10 0.29 -3.38 -2.34 0.00 0.00 174.74 169.40 1i4f s HIS 192 N 1.06 -0.28 0.24 3.88 -3.43 -0.68 -5.00 115.29 111.08 1i4f s HIS 192 Ca -0.09 0.64 -0.30 0.00 -0.80 0.00 0.00 55.06 54.51 1i4f s HIS 192 Cb -0.13 0.10 -0.09 0.00 -1.43 0.00 0.00 32.58 31.03 1i4f s HIS 192 CO -0.03 -0.21 1.18 0.00 -2.00 0.00 0.00 174.74 173.68 1i4f s ALA 193 N -0.23 3.44 -1.54 -1.38 0.00 -1.26 -0.24 121.76 120.54 1i4f s ALA 193 Ca -0.04 0.98 0.13 0.00 0.00 0.00 0.00 51.96 53.03 1i4f s ALA 193 Cb -0.03 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.82 1i4f s ALA 193 CO 0.01 -0.33 0.93 1.33 0.00 0.00 0.00 175.76 177.70 1i4f n VAL 194 N 1.78 0.07 -3.91 0.00 0.24 -0.45 -4.86 118.33 111.21 1i4f n VAL 194 Ca 0.02 -0.54 0.01 0.00 -2.04 0.00 0.00 64.34 61.79 1i4f n VAL 194 Cb 0.44 1.21 0.01 0.00 -1.47 0.00 0.00 33.84 34.03 1i4f n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1i4f n SER 195 N 0.71 -0.83 0.00 -1.34 3.41 -1.15 -4.94 113.62 109.48 1i4f n SER 195 Ca 0.08 -1.24 0.12 0.00 -0.26 0.00 0.00 58.87 57.57 1i4f n SER 195 Cb 0.33 1.30 0.54 0.00 -0.26 0.00 0.00 64.21 66.12 1i4f n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i4f n ASP 196 N -0.80 0.00 0.00 4.04 8.00 -1.26 -3.84 116.55 122.69 1i4f n ASP 196 Ca 0.02 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1i4f n ASP 196 Cb 0.37 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1i4f n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1i4f n HIS 197 N -1.44 0.00 -4.09 1.24 8.25 -1.26 -4.92 115.22 113.00 1i4f n HIS 197 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 1i4f n HIS 197 Cb 0.26 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 1i4f n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1i4f s GLU 198 N -0.16 0.61 0.04 -0.41 8.01 -1.25 -0.94 118.70 124.60 1i4f s GLU 198 Ca 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 54.97 54.00 1i4f s GLU 198 Cb 0.00 -0.18 -0.03 0.00 -4.31 0.00 0.00 34.13 29.61 1i4f s GLU 198 CO 0.00 0.00 -0.02 0.00 0.01 0.00 0.00 175.26 175.26 1i4f s ALA 199 N -2.32 0.32 -0.17 5.21 0.00 -0.24 -1.34 121.76 123.22 1i4f s ALA 199 Ca -0.02 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1i4f s ALA 199 Cb -0.04 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1i4f s ALA 199 CO -0.02 -0.29 0.05 0.99 0.00 0.00 0.00 175.76 176.49 1i4f s THR 200 N -2.93 4.71 -0.22 0.00 2.01 0.67 -0.94 115.64 118.94 1i4f s THR 200 Ca -0.02 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 1i4f s THR 200 Cb 0.01 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1i4f s THR 200 CO -0.06 0.49 0.07 -0.76 -0.69 0.00 0.00 174.62 173.66 1i4f s LEU 201 N 0.18 3.65 -0.15 4.42 1.43 -0.29 -1.69 118.68 126.22 1i4f s LEU 201 Ca 0.04 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1i4f s LEU 201 Cb -0.12 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1i4f s LEU 201 CO 0.01 0.07 -0.19 -0.60 0.23 0.00 0.00 176.35 175.87 1i4f s ARG 202 N 0.98 2.75 -0.27 1.70 3.52 -0.61 -1.28 118.95 125.73 1i4f s ARG 202 Ca 0.04 -0.74 -0.14 0.00 -0.13 0.00 0.00 55.73 54.76 1i4f s ARG 202 Cb -0.14 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 1i4f s ARG 202 CO 0.03 -0.15 0.34 0.00 -0.81 0.00 0.00 175.30 174.70 1i4f s TRP 204 N 1.99 3.17 -0.17 0.00 0.52 -0.03 -1.40 118.94 123.02 1i4f s TRP 204 Ca 0.13 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.40 1i4f s TRP 204 Cb -0.16 -1.84 0.03 0.00 -1.15 0.00 0.00 33.47 30.35 1i4f s TRP 204 CO 0.10 0.39 -0.15 0.00 0.02 0.00 0.00 176.95 177.32 1i4f s ALA 205 N -0.64 2.02 0.13 0.98 0.00 0.06 -2.32 121.76 121.99 1i4f s ALA 205 Ca 0.10 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.06 1i4f s ALA 205 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1i4f s ALA 205 CO 0.02 -0.48 -0.15 -0.51 0.00 0.00 0.00 175.76 174.64 1i4f s LEU 206 N 1.41 2.41 -1.46 0.00 1.43 -0.32 -1.31 118.68 120.83 1i4f s LEU 206 Ca 0.03 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1i4f s LEU 206 Cb -0.14 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.49 1i4f s LEU 206 CO -0.11 -0.13 0.90 -1.20 0.23 0.00 0.00 176.35 176.04 1i4f n SER 207 N 0.48 -6.22 -4.80 2.29 7.64 -0.77 -0.80 113.62 111.45 1i4f n SER 207 Ca -0.15 -0.42 -0.25 0.00 1.01 0.00 0.00 58.87 59.06 1i4f n SER 207 Cb 0.57 -4.96 -0.05 0.00 -1.01 0.00 0.00 64.21 58.76 1i4f n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1i4f s PHE 208 N -3.25 3.13 -0.23 1.43 -0.12 -1.01 -4.71 117.98 113.22 1i4f s PHE 208 Ca 0.45 -0.04 -0.14 0.00 -0.05 0.00 0.00 56.93 57.14 1i4f s PHE 208 Cb -0.20 -1.48 0.07 0.00 -0.63 0.00 0.00 43.02 40.78 1i4f s PHE 208 CO 0.56 0.52 0.56 -0.47 -0.05 0.00 0.00 175.22 176.34 1i4f s TYR 209 N -1.84 -0.80 0.91 3.49 5.04 -0.47 -1.01 117.35 122.67 1i4f s TYR 209 Ca 0.31 1.69 -0.15 0.00 -2.44 0.00 0.00 57.07 56.48 1i4f s TYR 209 Cb -0.09 0.41 0.22 0.00 0.35 0.00 0.00 41.96 42.84 1i4f s TYR 209 CO 0.24 -0.41 0.93 -0.35 -1.34 0.00 0.00 175.55 174.62 1i4f n PRO 210 N 3.94 -2.14 0.15 4.97 -0.04 -1.26 -0.94 135.00 139.68 1i4f n PRO 210 Ca -0.20 -1.47 -0.00 0.00 -0.04 0.00 0.00 63.50 61.79 1i4f n PRO 210 Cb 0.57 -1.23 0.23 0.00 -0.04 0.00 0.00 33.50 33.03 1i4f n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i4f h ALA 211 N -2.33 1.10 -2.44 0.55 0.00 -1.96 -3.45 119.26 110.72 1i4f h ALA 211 Ca -0.33 -0.49 -0.55 0.00 0.00 0.00 0.00 54.91 53.53 1i4f h ALA 211 Cb 0.98 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.73 1i4f h ALA 211 CO 0.22 0.68 0.96 -1.91 0.00 0.00 0.00 179.25 179.20 1i4f n GLU 212 N -3.89 2.52 -3.52 0.00 4.07 -1.26 -4.97 120.64 113.59 1i4f n GLU 212 Ca -0.01 0.91 -0.12 0.00 -0.06 0.00 0.00 57.16 57.87 1i4f n GLU 212 Cb 0.55 -2.74 -0.04 0.00 -0.06 0.00 0.00 31.44 29.16 1i4f n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1i4f s ILE 213 N 1.56 0.03 -0.06 6.31 2.07 -1.26 -4.63 121.20 125.23 1i4f s ILE 213 Ca 0.79 -0.23 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1i4f s ILE 213 Cb -0.58 -1.04 0.02 0.00 0.13 0.00 0.00 42.46 40.99 1i4f s ILE 213 CO 0.36 -0.12 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.34 1i4f s THR 214 N -3.35 0.58 -0.16 4.00 2.01 -0.69 -5.01 115.64 113.02 1i4f s THR 214 Ca -0.00 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 1i4f s THR 214 Cb -0.00 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 1i4f s THR 214 CO -0.09 0.25 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.19 1i4f s LEU 215 N 1.17 2.54 -0.03 4.42 1.43 -1.26 -1.09 118.68 125.86 1i4f s LEU 215 Ca -0.07 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1i4f s LEU 215 Cb -0.14 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1i4f s LEU 215 CO -0.01 0.08 -0.03 -0.89 0.23 0.00 0.00 176.35 175.72 1i4f s THR 216 N 0.87 0.38 0.18 5.49 2.01 -0.38 -4.97 115.64 119.22 1i4f s THR 216 Ca -0.04 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 1i4f s THR 216 Cb -0.15 -0.42 -0.07 0.00 0.01 0.00 0.00 72.50 71.87 1i4f s THR 216 CO -0.01 0.18 0.58 0.26 -0.69 0.00 0.00 174.62 174.94 1i4f s TRP 217 N 0.80 3.57 0.07 4.92 0.52 -1.26 -0.37 118.94 127.19 1i4f s TRP 217 Ca -0.09 1.08 0.05 0.00 0.02 0.00 0.00 56.10 57.15 1i4f s TRP 217 Cb -0.13 -2.39 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1i4f s TRP 217 CO -0.01 0.37 -0.13 -0.65 0.02 0.00 0.00 176.95 176.55 1i4f s GLN 218 N -2.16 0.80 -0.15 4.98 -0.21 0.28 -0.53 119.66 122.68 1i4f s GLN 218 Ca 0.41 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.83 1i4f s GLN 218 Cb -0.14 -0.76 0.02 0.00 1.00 0.00 0.00 33.01 33.13 1i4f s GLN 218 CO 0.20 0.16 -0.14 0.50 -2.12 0.00 0.00 175.29 173.89 1i4f s ARG 219 N -1.83 2.28 -1.40 2.91 3.52 -0.24 -1.16 118.95 123.04 1i4f s ARG 219 Ca -0.02 -0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 54.95 1i4f s ARG 219 Cb -0.09 -2.09 0.05 0.00 -1.56 0.00 0.00 34.95 31.26 1i4f s ARG 219 CO 0.02 -0.23 0.57 -0.25 -0.81 0.00 0.00 175.30 174.60 1i4f n ASP 220 N 4.75 -4.73 0.00 -2.12 8.00 -0.06 -1.95 116.55 120.44 1i4f n ASP 220 Ca -0.17 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1i4f n ASP 220 Cb 0.50 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 1i4f n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4f n GLY 221 N -1.34 1.00 3.40 0.44 0.00 -1.26 -5.07 105.19 102.36 1i4f n GLY 221 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1i4f n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i4f s GLU 222 N -0.58 1.62 0.28 1.61 8.01 -0.82 -5.05 118.70 123.76 1i4f s GLU 222 Ca 0.00 -1.23 -0.30 0.00 0.01 0.00 0.00 54.97 53.44 1i4f s GLU 222 Cb 0.00 -1.98 -0.12 0.00 -4.31 0.00 0.00 34.13 27.72 1i4f s GLU 222 CO 0.00 0.48 1.56 -0.25 0.01 0.00 0.00 175.26 177.05 1i4f n ASP 223 N 1.14 3.59 -4.09 -0.19 8.00 -1.26 -1.07 116.55 122.66 1i4f n ASP 223 Ca -0.17 1.14 -0.32 0.00 0.71 0.00 0.00 54.79 56.15 1i4f n ASP 223 Cb 0.53 -1.55 -0.16 0.00 -0.02 0.00 0.00 41.12 39.92 1i4f n ASP 223 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1i4f s GLN 224 N -0.41 2.67 -0.09 -1.24 2.00 0.31 -4.78 119.66 118.12 1i4f s GLN 224 Ca 0.65 -0.92 0.09 0.00 -2.00 0.00 0.00 55.36 53.19 1i4f s GLN 224 Cb -0.53 -2.58 -0.13 0.00 0.80 0.00 0.00 33.01 30.57 1i4f s GLN 224 CO 0.48 -0.31 0.06 0.25 -0.50 0.00 0.00 175.29 175.27 1i4f n THR 225 N 4.60 0.61 -1.97 -0.34 -2.24 -1.26 -4.30 114.28 109.38 1i4f n THR 225 Ca -0.18 -0.40 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 1i4f n THR 225 Cb 0.48 -0.62 0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1i4f n THR 225 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1i4f s GLN 226 N -2.30 2.92 -2.02 -0.78 -0.21 -1.26 -2.85 119.66 113.16 1i4f s GLN 226 Ca -0.05 1.88 0.00 0.00 0.02 0.00 0.00 55.36 57.21 1i4f s GLN 226 Cb 0.03 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.12 1i4f s GLN 226 CO 0.41 -1.26 0.00 -0.25 -2.12 0.00 0.00 175.29 172.07 1i4f n ASP 227 N -1.61 -5.74 -4.71 5.90 8.00 -1.26 -4.93 116.55 112.20 1i4f n ASP 227 Ca 0.14 0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.67 1i4f n ASP 227 Cb 0.49 -4.92 -0.06 0.00 -0.02 0.00 0.00 41.12 36.61 1i4f n ASP 227 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1i4f s THR 228 N -2.91 3.44 0.09 -3.53 -4.23 -1.13 -1.94 115.64 105.43 1i4f s THR 228 Ca 0.00 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1i4f s THR 228 Cb 0.00 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.86 1i4f s THR 228 CO 0.00 -0.29 0.27 -0.70 -0.54 0.00 0.00 174.62 173.35 1i4f s GLU 229 N -3.77 0.91 0.33 3.99 2.12 0.49 -4.97 118.70 117.79 1i4f s GLU 229 Ca 0.34 -0.83 -0.18 0.00 0.36 0.00 0.00 54.97 54.66 1i4f s GLU 229 Cb -0.05 0.38 0.04 0.00 0.26 0.00 0.00 34.13 34.76 1i4f s GLU 229 CO 0.22 -0.31 0.76 -0.48 -0.54 0.00 0.00 175.26 174.91 1i4f s LEU 230 N -2.75 -0.12 0.16 2.70 0.05 -1.26 -0.32 118.68 117.14 1i4f s LEU 230 Ca 0.03 -0.88 0.10 0.00 0.05 0.00 0.00 54.13 53.43 1i4f s LEU 230 Cb 0.03 2.78 -0.04 0.00 -2.05 0.00 0.00 46.19 46.91 1i4f s LEU 230 CO -0.10 -1.52 -0.22 0.68 -0.55 0.00 0.00 176.35 174.64 1i4f s VAL 231 N -3.09 2.06 0.51 1.48 -7.23 -1.06 -5.01 120.40 108.05 1i4f s VAL 231 Ca 0.13 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.22 1i4f s VAL 231 Cb -0.05 -1.92 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 1i4f s VAL 231 CO 0.09 -0.14 1.16 -1.61 -0.31 0.00 0.00 175.10 174.29 1i4f s GLU 232 N -2.50 3.50 0.30 4.82 0.41 -1.26 -4.49 118.70 119.49 1i4f s GLU 232 Ca 0.16 1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 56.16 1i4f s GLU 232 Cb -0.08 -2.20 -0.13 0.00 -1.78 0.00 0.00 34.13 29.95 1i4f s GLU 232 CO 0.07 -0.75 1.38 2.41 -0.49 0.00 0.00 175.26 177.88 1i4f n THR 233 N -0.93 1.52 -3.99 3.63 -1.04 -1.26 -4.85 114.28 107.36 1i4f n THR 233 Ca 0.10 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.05 61.63 1i4f n THR 233 Cb 0.49 -1.61 -0.11 0.00 -1.82 0.00 0.00 70.33 67.28 1i4f n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i4f s ARG 234 N -1.21 0.34 0.22 -2.82 1.70 -0.60 -4.97 118.95 111.62 1i4f s ARG 234 Ca 0.61 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.92 1i4f s ARG 234 Cb -0.58 0.07 -0.08 0.00 -0.57 0.00 0.00 34.95 33.79 1i4f s ARG 234 CO 0.56 -0.04 1.02 -1.25 -1.08 0.00 0.00 175.30 174.51 1i4f s PRO 235 N -1.56 4.72 0.24 3.89 0.04 -1.26 -0.93 135.00 140.13 1i4f s PRO 235 Ca -0.15 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.62 1i4f s PRO 235 Cb -0.09 -3.26 0.21 0.00 0.04 0.00 0.00 34.50 31.39 1i4f s PRO 235 CO -0.01 0.30 1.52 0.00 0.04 0.00 0.00 177.00 178.85 1i4f h ALA 236 N 4.42 0.79 0.00 8.56 0.00 -1.21 -3.46 119.26 128.35 1i4f h ALA 236 Ca -0.45 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1i4f h ALA 236 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1i4f h ALA 236 CO 0.69 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.24 1i4f n GLY 237 N 0.59 1.55 1.14 0.00 0.00 -1.26 -4.92 105.19 102.29 1i4f n GLY 237 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1i4f n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i4f n ASP 238 N 0.00 4.20 0.00 1.61 5.68 -1.26 -4.94 116.55 121.84 1i4f n ASP 238 Ca 0.00 -2.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 1i4f n ASP 238 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1i4f n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i4f n GLY 239 N 0.12 0.81 3.99 6.12 0.00 -1.26 -5.07 105.19 109.90 1i4f n GLY 239 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1i4f n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i4f s THR 240 N -2.24 2.06 0.23 2.61 -4.23 -1.26 -4.92 115.64 107.89 1i4f s THR 240 Ca 0.00 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1i4f s THR 240 Cb 0.00 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1i4f s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1i4f s PHE 241 N -2.68 1.63 0.03 3.99 0.08 -0.18 -0.68 117.98 120.17 1i4f s PHE 241 Ca 0.53 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.76 1i4f s PHE 241 Cb -0.05 -0.92 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 1i4f s PHE 241 CO 0.33 0.07 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.81 1i4f s GLN 242 N -3.81 0.45 0.02 0.44 -0.21 -0.11 -1.84 119.66 114.60 1i4f s GLN 242 Ca 0.27 -0.69 -0.28 0.00 0.02 0.00 0.00 55.36 54.68 1i4f s GLN 242 Cb 0.05 -0.17 0.07 0.00 1.00 0.00 0.00 33.01 33.96 1i4f s GLN 242 CO 0.08 0.02 0.68 0.21 -2.12 0.00 0.00 175.29 174.17 1i4f s LYS 243 N -1.50 1.09 0.10 2.91 2.20 -0.43 -1.56 119.74 122.56 1i4f s LYS 243 Ca -0.12 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.45 1i4f s LYS 243 Cb -0.10 0.51 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1i4f s LYS 243 CO -0.00 -0.40 0.07 1.67 -0.36 0.00 0.00 175.35 176.33 1i4f s TRP 244 N -2.12 0.57 -0.05 4.03 1.48 -1.26 -0.76 118.94 120.83 1i4f s TRP 244 Ca -0.06 -1.02 -0.04 0.00 -1.06 0.00 0.00 56.10 53.92 1i4f s TRP 244 Cb -0.00 -0.33 0.01 0.00 -1.16 0.00 0.00 33.47 31.99 1i4f s TRP 244 CO 0.01 -0.49 0.13 0.00 -4.06 0.00 0.00 176.95 172.53 1i4f s ALA 245 N -3.96 -0.31 0.08 2.67 0.00 -0.49 -2.57 121.76 117.18 1i4f s ALA 245 Ca 0.14 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1i4f s ALA 245 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1i4f s ALA 245 CO -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 175.76 175.55 1i4f s ALA 246 N 0.07 0.96 0.02 0.00 0.00 0.56 -0.51 121.76 122.86 1i4f s ALA 246 Ca -0.00 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1i4f s ALA 246 Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1i4f s ALA 246 CO 0.00 -0.02 -0.05 0.54 0.00 0.00 0.00 175.76 176.23 1i4f s VAL 247 N -2.12 0.33 -0.16 0.00 0.11 -0.40 -0.38 120.40 117.77 1i4f s VAL 247 Ca 0.01 -0.63 -0.11 0.00 -2.93 0.00 0.00 61.98 58.32 1i4f s VAL 247 Cb -0.05 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 1i4f s VAL 247 CO -0.00 -0.20 0.20 0.54 -3.33 0.00 0.00 175.10 172.31 1i4f s VAL 248 N -0.81 5.37 0.12 2.04 0.11 -0.82 -1.14 120.40 125.27 1i4f s VAL 248 Ca -0.06 0.35 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1i4f s VAL 248 Cb -0.06 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1i4f s VAL 248 CO -0.00 0.45 -0.08 0.68 -3.33 0.00 0.00 175.10 172.82 1i4f s VAL 249 N 0.13 0.87 0.20 2.04 -7.23 -0.11 -4.96 120.40 111.34 1i4f s VAL 249 Ca 0.13 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 1i4f s VAL 249 Cb -0.12 -1.73 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 1i4f s VAL 249 CO 0.02 -0.82 1.40 -2.84 -0.31 0.00 0.00 175.10 172.54 1i4f s PRO 250 N -3.78 4.31 0.35 4.82 0.02 -1.26 -1.07 135.00 138.38 1i4f s PRO 250 Ca 0.13 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 1i4f s PRO 250 Cb 0.04 -3.16 -0.11 0.00 0.02 0.00 0.00 34.50 31.29 1i4f s PRO 250 CO -0.03 -0.38 1.54 0.45 -0.33 0.00 0.00 177.00 178.26 1i4f n SER 251 N 2.83 3.89 0.00 2.53 2.88 -0.11 -1.38 113.62 124.25 1i4f n SER 251 Ca 0.08 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1i4f n SER 251 Cb 0.41 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 1i4f n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i4f n GLY 252 N 1.09 1.77 1.14 0.46 0.00 -1.26 -4.90 105.19 103.49 1i4f n GLY 252 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1i4f n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i4f n GLN 253 N -2.00 3.34 -0.23 1.61 1.13 -0.48 -4.70 117.38 116.05 1i4f n GLN 253 Ca 0.00 -2.69 0.07 0.00 -1.94 0.00 0.00 57.00 52.44 1i4f n GLN 253 Cb 0.00 -1.75 0.33 0.00 0.11 0.00 0.00 30.24 28.93 1i4f n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1i4f h GLU 254 N 2.82 0.80 0.00 -1.09 3.07 -1.91 -2.31 114.58 115.96 1i4f h GLU 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1i4f h GLU 254 Cb 1.31 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1i4f h GLU 254 CO 0.19 0.53 0.00 1.04 -1.40 0.00 0.00 179.01 179.37 1i4f n GLN 255 N -4.50 0.14 0.24 2.33 1.13 -1.26 -1.99 117.38 113.48 1i4f n GLN 255 Ca 0.13 0.50 0.13 0.00 -1.94 0.00 0.00 57.00 55.81 1i4f n GLN 255 Cb 0.27 -1.84 0.52 0.00 0.11 0.00 0.00 30.24 29.30 1i4f n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i4f h ARG 256 N 0.00 0.00 -5.62 -1.09 3.08 -1.80 -3.45 114.38 105.49 1i4f h ARG 256 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1i4f h ARG 256 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 1i4f h ARG 256 CO 0.00 0.14 -0.47 0.71 -1.07 0.00 0.00 179.97 179.28 1i4f s TYR 257 N -3.64 3.59 0.01 3.04 1.51 -0.84 -0.88 117.35 120.15 1i4f s TYR 257 Ca 0.01 0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.62 1i4f s TYR 257 Cb 0.10 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1i4f s TYR 257 CO 0.61 0.70 -0.07 0.95 -1.11 0.00 0.00 175.55 176.63 1i4f s THR 258 N -0.92 0.54 -0.18 -0.71 -4.23 -0.31 -4.46 115.64 105.36 1i4f s THR 258 Ca 0.15 -0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1i4f s THR 258 Cb -0.12 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 1i4f s THR 258 CO 0.04 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1i4f s HIS 260 N 0.68 2.95 -0.18 0.00 3.76 0.50 0.00 115.29 122.99 1i4f s HIS 260 Ca -0.00 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1i4f s HIS 260 Cb -0.14 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.60 1i4f s HIS 260 CO 0.02 -0.21 -0.18 0.08 -0.85 0.00 0.00 174.74 173.60 1i4f s VAL 261 N 0.63 2.22 -0.12 -0.90 1.01 -0.24 -1.24 120.40 121.77 1i4f s VAL 261 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1i4f s VAL 261 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1i4f s VAL 261 CO 0.03 0.53 -0.14 -1.10 0.00 0.00 0.00 175.10 174.41 1i4f s GLN 262 N 1.27 3.29 -0.06 2.72 -0.21 -0.25 -1.20 119.66 125.22 1i4f s GLN 262 Ca 0.04 -0.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.45 1i4f s GLN 262 Cb -0.13 -2.58 0.06 0.00 1.00 0.00 0.00 33.01 31.36 1i4f s GLN 262 CO -0.11 0.24 0.59 -1.58 -2.12 0.00 0.00 175.29 172.31 1i4f s HIS 263 N 0.27 -0.55 0.36 0.91 2.46 -1.26 -1.70 115.29 115.78 1i4f s HIS 263 Ca -0.10 0.98 0.37 0.00 0.47 0.00 0.00 55.06 56.77 1i4f s HIS 263 Cb -0.16 0.32 1.77 0.00 -0.13 0.00 0.00 32.58 34.38 1i4f s HIS 263 CO 0.06 -0.54 2.14 1.05 -2.47 0.00 0.00 174.74 174.98 1i4f h GLU 264 N 3.38 0.00 0.00 2.88 4.11 -1.94 -0.57 114.58 122.44 1i4f h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1i4f h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1i4f h GLU 264 CO 0.37 0.02 0.00 0.41 0.07 0.00 0.00 179.01 179.88 1i4f n GLY 265 N -0.49 -1.17 3.47 1.06 0.00 -1.26 -4.69 105.19 102.11 1i4f n GLY 265 Ca -0.01 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1i4f n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i4f s LEU 266 N -2.45 3.65 0.56 0.99 1.43 -0.22 -4.49 118.68 118.14 1i4f s LEU 266 Ca 0.31 -0.21 0.24 0.00 -1.03 0.00 0.00 54.13 53.44 1i4f s LEU 266 Cb 0.19 -1.97 1.57 0.00 0.03 0.00 0.00 46.19 46.01 1i4f s LEU 266 CO 0.42 -0.06 2.19 -0.65 0.23 0.00 0.00 176.35 178.48 1i4f h PRO 267 N 8.28 0.00 -3.13 1.29 0.11 -1.84 -3.42 132.00 133.28 1i4f h PRO 267 Ca -0.37 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1i4f h PRO 267 Cb 1.17 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.06 1i4f h PRO 267 CO 0.58 0.00 -0.36 -1.59 -0.21 0.00 0.00 178.00 176.42 1i4f s LYS 268 N -4.83 0.50 0.59 1.05 -2.85 -1.26 -5.14 119.74 107.80 1i4f s LYS 268 Ca -0.05 -0.01 -0.19 0.00 -1.00 0.00 0.00 55.97 54.72 1i4f s LYS 268 Cb 0.16 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1i4f s LYS 268 CO 0.61 -0.11 1.16 -0.35 0.10 0.00 0.00 175.35 176.75 1i4f n PRO 269 N 1.94 1.19 -3.69 1.78 -0.04 -1.26 -4.98 135.00 129.93 1i4f n PRO 269 Ca -0.18 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.39 1i4f n PRO 269 Cb 0.57 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 1i4f n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i4f s LEU 270 N -2.94 4.32 -0.17 1.53 1.43 -0.34 -4.91 118.68 117.60 1i4f s LEU 270 Ca 0.76 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1i4f s LEU 270 Cb -0.41 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 42.81 1i4f s LEU 270 CO 0.46 0.15 -0.19 -0.89 0.23 0.00 0.00 176.35 176.11 1i4f s THR 271 N -1.47 2.22 -0.00 5.49 2.01 -1.26 -1.07 115.64 121.55 1i4f s THR 271 Ca 0.35 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1i4f s THR 271 Cb -0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1i4f s THR 271 CO 0.21 0.53 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.78 1i4f s LEU 272 N 1.12 2.84 0.05 4.42 1.02 0.10 -4.94 118.68 123.29 1i4f s LEU 272 Ca 0.01 -0.25 0.03 0.00 0.02 0.00 0.00 54.13 53.93 1i4f s LEU 272 Cb -0.14 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 1i4f s LEU 272 CO -0.08 0.29 -0.09 -0.60 0.02 0.00 0.00 176.35 175.90 1i4f s ARG 273 N -1.20 0.60 0.28 1.70 3.52 -1.26 -0.83 118.95 121.76 1i4f s ARG 273 Ca 0.14 -0.84 -0.27 0.00 -0.13 0.00 0.00 55.73 54.64 1i4f s ARG 273 Cb -0.11 -0.38 -0.09 0.00 -1.56 0.00 0.00 34.95 32.81 1i4f s ARG 273 CO 0.04 0.07 0.92 -0.46 -0.81 0.00 0.00 175.30 175.06 1i4f s TRP 274 N -1.54 3.81 0.00 5.12 -0.11 -1.26 -5.00 118.94 119.96 1i4f s TRP 274 Ca -0.07 1.80 0.00 0.00 1.22 0.00 0.00 56.10 59.05 1i4f s TRP 274 Cb -0.09 -2.91 0.00 0.00 -1.50 0.00 0.00 33.47 28.97 1i4f s TRP 274 CO 0.00 0.33 0.00 0.39 -4.62 0.00 0.00 176.95 173.05