#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1y s SER 2 N 0.00 4.12 0.10 1.61 0.01 -1.26 -4.40 113.70 113.87 1i1y s SER 2 Ca 0.00 2.05 -0.07 0.00 1.31 0.00 0.00 55.95 59.24 1i1y s SER 2 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1i1y s SER 2 CO 0.00 -2.30 0.16 -1.00 0.41 0.00 0.00 173.24 170.51 1i1y s HIS 3 N -2.57 0.33 0.07 2.43 0.09 -0.74 -4.97 115.29 109.92 1i1y s HIS 3 Ca 0.66 -0.76 -0.04 0.00 -0.00 0.00 0.00 55.06 54.91 1i1y s HIS 3 Cb -0.21 -0.15 -0.02 0.00 -0.00 0.00 0.00 32.58 32.19 1i1y s HIS 3 CO 0.52 -0.55 0.07 -1.54 -0.00 0.00 0.00 174.74 173.24 1i1y s SER 4 N -2.91 0.32 -0.12 1.40 1.04 -1.26 -1.37 113.70 110.80 1i1y s SER 4 Ca 0.09 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.69 1i1y s SER 4 Cb 0.05 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1i1y s SER 4 CO -0.08 -0.66 -0.18 -0.32 0.98 0.00 0.00 173.24 172.99 1i1y s MET 5 N -3.90 2.51 0.00 4.02 -2.45 -0.35 -0.65 119.30 118.48 1i1y s MET 5 Ca 0.06 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 53.85 1i1y s MET 5 Cb 0.07 -2.10 -0.00 0.00 1.25 0.00 0.00 34.83 34.04 1i1y s MET 5 CO -0.10 -0.06 -0.04 1.03 1.05 0.00 0.00 175.02 176.90 1i1y s ARG 6 N 0.97 0.30 -0.07 4.11 0.52 -0.07 -2.30 118.95 122.42 1i1y s ARG 6 Ca -0.06 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1i1y s ARG 6 Cb -0.15 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.03 1i1y s ARG 6 CO -0.03 0.07 -0.09 0.71 0.02 0.00 0.00 175.30 175.99 1i1y s TYR 7 N -0.21 2.89 -0.13 -0.53 2.02 -0.10 -0.43 117.35 120.86 1i1y s TYR 7 Ca 0.00 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1i1y s TYR 7 Cb -0.02 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1i1y s TYR 7 CO -0.00 0.26 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.97 1i1y s PHE 8 N -0.68 2.48 -0.13 2.71 0.40 0.08 -2.71 117.98 120.14 1i1y s PHE 8 Ca 0.10 -1.21 0.01 0.00 -0.60 0.00 0.00 56.93 55.24 1i1y s PHE 8 Cb -0.11 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.73 1i1y s PHE 8 CO 0.01 -0.56 -0.16 -0.06 0.70 0.00 0.00 175.22 175.16 1i1y s PHE 9 N 0.79 2.18 -0.12 0.36 0.40 0.11 -1.78 117.98 119.93 1i1y s PHE 9 Ca -0.08 -1.11 0.02 0.00 -0.60 0.00 0.00 56.93 55.15 1i1y s PHE 9 Cb -0.16 -1.56 -0.00 0.00 0.51 0.00 0.00 43.02 41.81 1i1y s PHE 9 CO -0.00 -0.57 -0.20 0.99 0.70 0.00 0.00 175.22 176.13 1i1y s THR 10 N 1.12 2.35 -0.09 0.64 2.01 -0.60 -0.97 115.64 120.09 1i1y s THR 10 Ca -0.03 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1i1y s THR 10 Cb -0.14 -1.94 0.02 0.00 0.01 0.00 0.00 72.50 70.44 1i1y s THR 10 CO -0.05 0.54 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.75 1i1y s SER 11 N 0.51 2.15 -0.09 3.53 0.15 -0.27 -1.19 113.70 118.49 1i1y s SER 11 Ca -0.13 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1i1y s SER 11 Cb -0.17 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.22 1i1y s SER 11 CO 0.05 0.00 -0.07 -0.69 1.20 0.00 0.00 173.24 173.73 1i1y s VAL 12 N 0.97 0.93 0.40 4.45 1.01 -0.21 -1.10 120.40 126.85 1i1y s VAL 12 Ca -0.08 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 1i1y s VAL 12 Cb -0.15 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1i1y s VAL 12 CO -0.00 0.34 1.02 -0.94 0.00 0.00 0.00 175.10 175.51 1i1y s SER 13 N 1.50 6.81 -0.59 3.32 1.04 -0.79 -0.34 113.70 124.66 1i1y s SER 13 Ca 0.00 1.94 0.05 0.00 0.48 0.00 0.00 55.95 58.42 1i1y s SER 13 Cb -0.13 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.59 1i1y s SER 13 CO -0.05 -0.45 0.45 0.54 0.98 0.00 0.00 173.24 174.71 1i1y n ARG 14 N -0.19 1.20 -1.64 4.02 1.74 -1.26 -4.19 116.66 116.34 1i1y n ARG 14 Ca 0.05 -3.97 -0.45 0.00 -0.77 0.00 0.00 57.85 52.72 1i1y n ARG 14 Cb 0.51 -2.03 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 1i1y n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1i1y n PRO 15 N 2.25 2.38 -0.94 5.56 -0.02 -1.26 -1.27 135.00 141.69 1i1y n PRO 15 Ca 0.24 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1i1y n PRO 15 Cb 0.41 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1i1y n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i1y n GLY 16 N 4.87 0.57 0.00 -1.23 0.00 -1.26 -4.87 105.19 103.27 1i1y n GLY 16 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1i1y n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1y n ARG 17 N -2.86 2.75 0.00 1.61 5.12 -0.40 -5.11 116.66 117.77 1i1y n ARG 17 Ca 0.00 -1.42 0.00 0.00 -1.93 0.00 0.00 57.85 54.50 1i1y n ARG 17 Cb 0.00 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 1i1y n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i1y n GLY 18 N -0.46 0.98 3.80 -0.13 0.00 -1.23 -4.99 105.19 103.16 1i1y n GLY 18 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1i1y n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1y s GLU 19 N 0.00 3.73 0.66 1.61 0.41 -1.26 -4.69 118.70 119.16 1i1y s GLU 19 Ca 0.00 1.28 -0.16 0.00 -0.41 0.00 0.00 54.97 55.68 1i1y s GLU 19 Cb 0.00 -2.09 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 1i1y s GLU 19 CO 0.00 -0.48 1.16 -1.25 -0.49 0.00 0.00 175.26 174.20 1i1y s PRO 20 N -3.49 2.65 0.26 0.39 0.04 -1.26 -4.66 135.00 128.94 1i1y s PRO 20 Ca 0.65 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 1i1y s PRO 20 Cb -0.15 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1i1y s PRO 20 CO 0.24 -1.41 1.01 0.50 0.04 0.00 0.00 177.00 177.38 1i1y s ARG 21 N -3.82 4.76 -0.05 4.56 6.06 0.54 -4.88 118.95 126.11 1i1y s ARG 21 Ca 0.72 1.62 -0.02 0.00 -2.50 0.00 0.00 55.73 55.55 1i1y s ARG 21 Cb -0.25 -3.23 0.03 0.00 0.06 0.00 0.00 34.95 31.56 1i1y s ARG 21 CO 0.40 0.38 0.05 0.12 -2.50 0.00 0.00 175.30 173.75 1i1y s PHE 22 N -1.18 0.16 -0.11 5.12 5.36 -1.26 -1.04 117.98 125.02 1i1y s PHE 22 Ca 0.43 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.57 1i1y s PHE 22 Cb -0.28 -0.54 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 1i1y s PHE 22 CO 0.36 -0.23 -0.16 0.42 -1.46 0.00 0.00 175.22 174.15 1i1y s ILE 23 N 2.14 2.82 -0.06 3.12 -1.09 -0.33 -1.13 121.20 126.67 1i1y s ILE 23 Ca 0.05 -0.75 0.06 0.00 -2.23 0.00 0.00 60.65 57.77 1i1y s ILE 23 Cb -0.12 -2.15 -0.01 0.00 -1.58 0.00 0.00 42.46 38.59 1i1y s ILE 23 CO -0.04 0.54 -0.23 0.00 -1.23 0.00 0.00 174.94 173.98 1i1y s ALA 24 N 0.22 2.26 0.00 9.38 0.00 -0.09 -1.56 121.76 131.97 1i1y s ALA 24 Ca -0.10 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1i1y s ALA 24 Cb -0.16 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1i1y s ALA 24 CO 0.06 0.44 -0.07 0.14 0.00 0.00 0.00 175.76 176.33 1i1y s VAL 25 N -0.28 0.54 0.02 0.00 -7.23 -0.73 -0.80 120.40 111.92 1i1y s VAL 25 Ca 0.00 -0.43 0.08 0.00 -1.81 0.00 0.00 61.98 59.81 1i1y s VAL 25 Cb -0.13 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 1i1y s VAL 25 CO 0.03 0.05 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.83 1i1y s GLY 26 N -0.42 1.47 0.06 2.32 0.00 -0.74 -0.74 107.32 109.27 1i1y s GLY 26 Ca 0.01 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1i1y s GLY 26 CO -0.00 -1.05 -0.11 -0.19 0.00 0.00 0.00 173.10 171.75 1i1y s TYR 27 N -0.82 0.94 -0.25 1.90 1.51 0.43 -0.59 117.35 120.47 1i1y s TYR 27 Ca 0.13 -0.52 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1i1y s TYR 27 Cb -0.10 -0.54 0.06 0.00 -0.11 0.00 0.00 41.96 41.27 1i1y s TYR 27 CO 0.03 -0.02 -0.10 0.08 -1.11 0.00 0.00 175.55 174.43 1i1y s VAL 28 N -1.56 1.97 0.00 0.71 1.01 -0.42 -0.89 120.40 121.22 1i1y s VAL 28 Ca -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1i1y s VAL 28 Cb -0.09 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1i1y s VAL 28 CO 0.01 -0.02 0.00 0.47 0.00 0.00 0.00 175.10 175.56 1i1y n ASP 29 N 4.51 0.00 -1.17 3.32 8.00 0.18 -1.83 116.55 129.56 1i1y n ASP 29 Ca -0.14 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.46 1i1y n ASP 29 Cb 0.43 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.81 1i1y n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i1y n ASP 30 N 7.76 3.69 -4.43 -2.24 8.00 -1.26 -4.90 116.55 123.17 1i1y n ASP 30 Ca 0.00 -2.00 -0.36 0.00 0.71 0.00 0.00 54.79 53.14 1i1y n ASP 30 Cb 0.00 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.55 1i1y n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i1y s THR 31 N -1.00 4.18 0.23 -3.53 2.01 -0.76 -5.03 115.64 111.74 1i1y s THR 31 Ca 0.42 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1i1y s THR 31 Cb 0.22 -2.95 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 1i1y s THR 31 CO 0.29 0.35 1.22 -1.58 -0.69 0.00 0.00 174.62 174.21 1i1y s GLN 32 N 1.60 4.47 0.00 4.92 0.74 -1.26 -1.30 119.66 128.83 1i1y s GLN 32 Ca 0.06 1.96 0.00 0.00 0.05 0.00 0.00 55.36 57.43 1i1y s GLN 32 Cb -0.15 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1i1y s GLN 32 CO 0.03 -0.09 0.00 1.97 -0.55 0.00 0.00 175.29 176.65 1i1y n PHE 33 N 2.02 0.00 -4.07 1.67 -1.74 0.24 -4.34 117.46 111.24 1i1y n PHE 33 Ca 0.03 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.82 1i1y n PHE 33 Cb 0.44 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.35 1i1y n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1i1y s VAL 34 N -1.64 0.06 0.07 1.97 -7.23 -1.23 -0.02 120.40 112.38 1i1y s VAL 34 Ca 0.00 -1.67 -0.20 0.00 -1.81 0.00 0.00 61.98 58.29 1i1y s VAL 34 Cb 0.00 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.92 1i1y s VAL 34 CO 0.00 -0.27 0.48 0.00 -0.31 0.00 0.00 175.10 175.01 1i1y s ARG 35 N -4.03 1.04 -0.03 4.82 1.70 -0.72 -1.79 118.95 119.93 1i1y s ARG 35 Ca 0.24 -0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 55.12 1i1y s ARG 35 Cb 0.05 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.92 1i1y s ARG 35 CO 0.04 -0.39 0.07 0.12 -1.08 0.00 0.00 175.30 174.06 1i1y s PHE 36 N -2.80 -0.05 -0.12 5.89 5.36 0.02 -0.48 117.98 125.81 1i1y s PHE 36 Ca -0.03 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.15 1i1y s PHE 36 Cb -0.00 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.60 1i1y s PHE 36 CO -0.05 -0.09 -0.06 0.34 -1.46 0.00 0.00 175.22 173.90 1i1y s ASP 37 N 0.73 2.26 0.42 6.13 -1.08 -1.26 -0.92 116.67 122.95 1i1y s ASP 37 Ca -0.06 -0.36 0.22 0.00 -0.52 0.00 0.00 52.55 51.84 1i1y s ASP 37 Cb -0.08 -0.82 1.20 0.00 -1.46 0.00 0.00 42.92 41.76 1i1y s ASP 37 CO -0.03 -0.14 1.76 -1.28 0.52 0.00 0.00 175.17 176.00 1i1y h SER 38 N 8.18 0.36 0.08 -0.34 0.87 -1.51 -0.29 113.55 120.91 1i1y h SER 38 Ca -0.28 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1i1y h SER 38 Cb 1.13 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1i1y h SER 38 CO 0.39 0.04 -0.08 0.47 -0.53 0.00 0.00 176.83 177.13 1i1y n ASP 39 N -4.57 1.18 -4.91 6.23 9.92 -1.26 -4.92 116.55 118.21 1i1y n ASP 39 Ca 0.27 -1.23 -0.27 0.00 -0.53 0.00 0.00 54.79 53.03 1i1y n ASP 39 Cb 0.99 0.03 0.03 0.00 -0.64 0.00 0.00 41.12 41.53 1i1y n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i1y s ALA 40 N -2.17 3.25 0.16 2.24 0.00 -0.12 -5.00 121.76 120.12 1i1y s ALA 40 Ca 0.34 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1i1y s ALA 40 Cb 0.21 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 1i1y s ALA 40 CO 0.40 -0.82 1.36 0.00 0.00 0.00 0.00 175.76 176.70 1i1y h ALA 41 N -0.22 0.50 -0.70 0.00 0.00 -1.91 -3.35 119.26 113.59 1i1y h ALA 41 Ca -0.45 -0.81 -0.07 0.00 0.00 0.00 0.00 54.91 53.58 1i1y h ALA 41 Cb 1.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1i1y h ALA 41 CO 0.61 1.10 0.17 0.66 0.00 0.00 0.00 179.25 181.79 1i1y h SER 42 N 0.01 1.06 -3.65 0.00 4.64 -1.94 -3.47 113.55 110.21 1i1y h SER 42 Ca -0.02 -0.23 -0.26 0.00 -0.47 0.00 0.00 61.79 60.81 1i1y h SER 42 Cb 1.60 -0.28 0.07 0.00 -0.31 0.00 0.00 62.40 63.48 1i1y h SER 42 CO 0.12 1.02 -0.42 0.00 -0.87 0.00 0.00 176.83 176.68 1i1y n GLN 43 N -4.25 -4.28 -4.14 4.77 1.13 -1.26 -5.01 117.38 104.34 1i1y n GLN 43 Ca 0.05 0.56 -0.10 0.00 -1.94 0.00 0.00 57.00 55.56 1i1y n GLN 43 Cb 0.26 -4.72 -0.10 0.00 0.11 0.00 0.00 30.24 25.79 1i1y n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i1y s ARG 44 N -5.60 0.74 0.22 -1.09 0.52 -1.26 -5.04 118.95 107.44 1i1y s ARG 44 Ca 0.30 -1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 1i1y s ARG 44 Cb -0.13 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.11 1i1y s ARG 44 CO 0.37 -0.03 1.38 1.41 0.02 0.00 0.00 175.30 178.45 1i1y s MET 45 N -3.49 4.33 0.05 3.54 -2.45 -1.26 -4.68 119.30 115.33 1i1y s MET 45 Ca 0.07 2.18 0.07 0.00 -1.25 0.00 0.00 55.69 56.76 1i1y s MET 45 Cb 0.03 -3.15 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 1i1y s MET 45 CO -0.05 -0.34 -0.20 -1.21 1.05 0.00 0.00 175.02 174.27 1i1y s GLU 46 N -0.18 1.32 0.41 4.11 2.02 0.37 -4.90 118.70 121.86 1i1y s GLU 46 Ca 0.58 -0.93 -0.25 0.00 0.02 0.00 0.00 54.97 54.40 1i1y s GLU 46 Cb -0.39 -1.43 -0.08 0.00 0.10 0.00 0.00 34.13 32.32 1i1y s GLU 46 CO 0.40 0.36 1.15 -1.25 0.02 0.00 0.00 175.26 175.94 1i1y s PRO 47 N -1.20 4.04 -0.02 0.39 0.04 -1.26 -1.76 135.00 135.22 1i1y s PRO 47 Ca 0.07 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.91 1i1y s PRO 47 Cb -0.09 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.88 1i1y s PRO 47 CO 0.02 -0.31 0.86 0.54 0.04 0.00 0.00 177.00 178.15 1i1y n ARG 48 N -0.02 1.09 -3.70 4.56 5.12 0.97 -4.84 116.66 119.84 1i1y n ARG 48 Ca 0.05 -1.26 -0.13 0.00 -1.93 0.00 0.00 57.85 54.58 1i1y n ARG 48 Cb 0.47 -0.82 -0.09 0.00 -1.16 0.00 0.00 32.46 30.86 1i1y n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i1y s ALA 49 N -0.80 -1.26 0.23 7.54 0.00 -1.24 -4.71 121.76 121.52 1i1y s ALA 49 Ca 0.06 1.49 -0.07 0.00 0.00 0.00 0.00 51.96 53.44 1i1y s ALA 49 Cb 0.05 -0.87 0.40 0.00 0.00 0.00 0.00 23.12 22.70 1i1y s ALA 49 CO 0.01 -0.25 1.69 -1.35 0.00 0.00 0.00 175.76 175.86 1i1y h PRO 50 N 5.64 0.26 -0.41 0.00 0.11 -1.95 -2.24 132.00 133.41 1i1y h PRO 50 Ca -0.29 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.90 1i1y h PRO 50 Cb 1.18 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1i1y h PRO 50 CO 0.20 0.17 0.29 0.11 -0.21 0.00 0.00 178.00 178.56 1i1y h TRP 51 N 0.27 0.14 0.00 0.65 5.08 -1.97 -0.23 115.95 119.88 1i1y h TRP 51 Ca 0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 1i1y h TRP 51 Cb 0.62 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.74 1i1y h TRP 51 CO -0.26 0.07 -0.16 1.51 -1.28 0.00 0.00 178.44 178.32 1i1y n ILE 52 N -4.45 0.21 0.28 0.12 0.13 -0.84 -3.51 119.36 111.30 1i1y n ILE 52 Ca 0.06 -0.12 0.15 0.00 -1.10 0.00 0.00 62.75 61.75 1i1y n ILE 52 Cb 0.39 -0.35 0.72 0.00 -0.84 0.00 0.00 39.64 39.56 1i1y n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1i1y h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.08 -2.16 114.58 125.93 1i1y h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i1y h GLU 53 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1i1y h GLU 53 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1i1y n GLN 54 N -2.57 0.08 -2.26 2.33 3.00 -1.23 -4.78 117.38 111.94 1i1y n GLN 54 Ca -0.01 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.65 1i1y n GLN 54 Cb 0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.87 1i1y n GLN 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1i1y s GLU 55 N -2.92 3.76 0.00 -1.09 0.41 -0.81 -5.04 118.70 113.01 1i1y s GLU 55 Ca 0.16 1.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.49 1i1y s GLU 55 Cb 0.18 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 1i1y s GLU 55 CO 0.48 -0.55 0.00 0.41 -0.49 0.00 0.00 175.26 175.11 1i1y n GLY 56 N 0.44 1.08 0.26 -1.39 0.00 -1.26 -4.89 105.19 99.44 1i1y n GLY 56 Ca 0.07 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 44.16 1i1y n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i1y h PRO 57 N 0.00 0.30 -0.82 1.61 0.13 -1.98 -1.91 132.00 129.33 1i1y h PRO 57 Ca 0.00 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1i1y h PRO 57 Cb 0.00 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.04 1i1y h PRO 57 CO 0.00 0.32 0.37 1.49 -0.23 0.00 0.00 178.00 179.95 1i1y h GLU 58 N 0.30 1.20 0.61 0.86 4.22 -1.99 0.16 114.58 119.94 1i1y h GLU 58 Ca 0.07 -0.19 -0.03 0.00 0.08 0.00 0.00 59.36 59.29 1i1y h GLU 58 Cb 0.19 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1i1y h GLU 58 CO 0.00 0.94 -0.29 -0.92 -2.18 0.00 0.00 179.01 176.57 1i1y h TYR 59 N 1.18 -0.75 -0.96 0.92 3.20 -1.72 -1.87 116.97 116.97 1i1y h TYR 59 Ca 0.28 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1i1y h TYR 59 Cb 0.16 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1i1y h TYR 59 CO 0.02 -0.44 0.61 -1.49 -1.64 0.00 0.00 178.16 175.23 1i1y h TRP 60 N -0.91 1.23 -0.42 -3.82 4.06 -1.33 -0.93 115.95 113.83 1i1y h TRP 60 Ca -0.08 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.79 1i1y h TRP 60 Cb 0.66 -0.41 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1i1y h TRP 60 CO -0.02 0.79 -0.11 -0.44 -3.56 0.00 0.00 178.44 175.11 1i1y h ASP 61 N 1.31 0.73 -0.24 -3.49 5.19 -0.64 -1.97 116.42 117.32 1i1y h ASP 61 Ca 0.35 -0.21 -0.15 0.00 -0.62 0.00 0.00 57.03 56.39 1i1y h ASP 61 Cb -0.12 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.20 1i1y h ASP 61 CO -0.07 0.87 -0.45 1.23 -3.12 0.00 0.00 179.24 177.69 1i1y h GLY 62 N 0.97 0.80 1.64 2.75 0.00 -0.92 -1.09 103.07 107.22 1i1y h GLY 62 Ca 0.12 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.40 1i1y h GLY 62 CO 0.04 0.84 -0.36 0.83 0.00 0.00 0.00 176.54 177.89 1i1y h GLU 63 N 0.46 0.41 -0.29 4.80 4.39 -1.11 -0.88 114.58 122.35 1i1y h GLU 63 Ca 0.01 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 1i1y h GLU 63 Cb 1.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1i1y h GLU 63 CO 0.10 0.71 -0.03 1.15 -1.16 0.00 0.00 179.01 179.78 1i1y h THR 64 N 0.34 1.27 -0.19 1.13 2.02 -1.24 -0.24 112.91 116.00 1i1y h THR 64 Ca 0.04 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.22 1i1y h THR 64 Cb 0.80 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1i1y h THR 64 CO 0.06 0.32 0.08 -0.09 0.37 0.00 0.00 175.52 176.26 1i1y h ARG 65 N 0.31 0.17 -0.21 6.66 2.43 -0.59 -1.96 114.38 121.19 1i1y h ARG 65 Ca 0.08 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.09 1i1y h ARG 65 Cb 0.49 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1i1y h ARG 65 CO 0.02 0.11 -0.47 0.87 -1.51 0.00 0.00 179.97 178.99 1i1y h LYS 66 N 0.17 0.54 -0.16 0.20 1.57 -1.07 -2.63 116.57 115.19 1i1y h LYS 66 Ca 0.08 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 1i1y h LYS 66 Cb 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1i1y h LYS 66 CO -0.07 0.89 -0.35 -0.24 -0.57 0.00 0.00 179.45 179.11 1i1y h VAL 67 N 0.43 1.29 -0.52 0.50 3.04 -0.79 -0.71 116.25 119.49 1i1y h VAL 67 Ca 0.03 -1.40 -0.11 0.00 -1.01 0.00 0.00 66.70 64.21 1i1y h VAL 67 Cb 0.98 1.55 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 1i1y h VAL 67 CO 0.09 0.43 -0.10 0.11 -1.01 0.00 0.00 177.57 177.09 1i1y h LYS 68 N 0.28 0.95 -0.42 4.17 1.57 -1.25 -1.63 116.57 120.25 1i1y h LYS 68 Ca 0.03 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1i1y h LYS 68 Cb 0.75 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1i1y h LYS 68 CO 0.06 1.00 0.09 0.00 -0.57 0.00 0.00 179.45 180.03 1i1y h ALA 69 N 1.02 0.55 -0.32 3.86 0.00 -1.05 -1.58 119.26 121.76 1i1y h ALA 69 Ca 0.14 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1i1y h ALA 69 Cb 0.64 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1i1y h ALA 69 CO 0.04 0.25 0.08 0.45 0.00 0.00 0.00 179.25 180.07 1i1y h HIS 70 N 0.54 0.13 -0.40 0.00 3.86 -1.00 -1.90 115.15 116.38 1i1y h HIS 70 Ca 0.13 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 1i1y h HIS 70 Cb 0.34 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.74 1i1y h HIS 70 CO 0.02 0.04 0.09 1.03 0.86 0.00 0.00 177.93 179.97 1i1y h SER 71 N 0.20 0.04 -0.74 2.45 0.87 -1.14 -0.66 113.55 114.56 1i1y h SER 71 Ca 0.15 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1i1y h SER 71 Cb 0.15 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1i1y h SER 71 CO -0.18 0.06 0.44 1.56 -0.53 0.00 0.00 176.83 178.18 1i1y h GLN 72 N 0.23 1.01 -0.54 2.24 1.08 -1.03 0.11 115.11 118.20 1i1y h GLN 72 Ca 0.19 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1i1y h GLN 72 Cb 0.22 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1i1y h GLN 72 CO -0.24 0.72 -0.01 1.15 -0.95 0.00 0.00 178.83 179.49 1i1y h THR 73 N 1.03 1.26 0.00 -0.54 2.02 -0.63 -2.61 112.91 113.45 1i1y h THR 73 Ca 0.27 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 1i1y h THR 73 Cb -0.03 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1i1y h THR 73 CO -0.05 0.40 -0.34 0.45 0.37 0.00 0.00 175.52 176.35 1i1y h HIS 74 N 0.84 0.00 -0.58 3.16 3.86 -0.07 -0.17 115.15 122.19 1i1y h HIS 74 Ca 0.15 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1i1y h HIS 74 Cb 0.55 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1i1y h HIS 74 CO 0.04 0.34 -0.05 -0.09 0.86 0.00 0.00 177.93 179.04 1i1y h ARG 75 N 0.00 1.06 -0.13 2.45 2.43 -0.60 -2.44 114.38 117.16 1i1y h ARG 75 Ca -0.00 -0.36 -0.18 0.00 -0.81 0.00 0.00 59.98 58.62 1i1y h ARG 75 Cb 0.61 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1i1y h ARG 75 CO 0.04 1.06 -0.68 0.28 -1.51 0.00 0.00 179.97 179.17 1i1y h VAL 76 N 0.95 1.34 -0.97 0.20 2.07 -1.06 -3.23 116.25 115.55 1i1y h VAL 76 Ca 0.16 -2.00 0.05 0.00 0.82 0.00 0.00 66.70 65.73 1i1y h VAL 76 Cb 0.61 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1i1y h VAL 76 CO 0.04 0.61 0.63 0.44 0.02 0.00 0.00 177.57 179.31 1i1y h ASP 77 N 0.38 1.04 -0.85 0.57 3.32 -0.83 -1.87 116.42 118.18 1i1y h ASP 77 Ca -0.02 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1i1y h ASP 77 Cb 1.26 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 1i1y h ASP 77 CO 0.13 0.69 0.56 -0.07 -1.72 0.00 0.00 179.24 178.83 1i1y h LEU 78 N 1.20 0.88 -0.18 1.55 3.38 -1.46 -2.11 115.31 118.58 1i1y h LEU 78 Ca 0.40 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.14 1i1y h LEU 78 Cb 0.06 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1i1y h LEU 78 CO -0.14 0.59 -0.83 1.23 0.09 0.00 0.00 178.44 179.38 1i1y h GLY 79 N 1.02 0.75 0.91 0.83 0.00 -1.59 -2.83 103.07 102.15 1i1y h GLY 79 Ca 0.35 -1.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1i1y h GLY 79 CO -0.11 0.99 -0.18 -0.84 0.00 0.00 0.00 176.54 176.40 1i1y h THR 80 N 0.44 0.62 -0.91 4.70 2.02 -0.96 -1.58 112.91 117.24 1i1y h THR 80 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1i1y h THR 80 Cb 1.46 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 1i1y h THR 80 CO 0.16 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.52 1i1y h LEU 81 N -0.45 1.11 -0.67 2.58 3.38 -1.48 0.16 115.31 119.93 1i1y h LEU 81 Ca -0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1i1y h LEU 81 Cb 0.37 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1i1y h LEU 81 CO 0.03 0.86 0.44 -0.09 0.09 0.00 0.00 178.44 179.77 1i1y h ARG 82 N 1.26 0.87 -0.42 1.13 2.43 -1.34 0.65 114.38 118.95 1i1y h ARG 82 Ca 0.33 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 1i1y h ARG 82 Cb -0.03 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1i1y h ARG 82 CO -0.06 0.58 -0.02 0.78 -1.51 0.00 0.00 179.97 179.74 1i1y h GLY 83 N 0.90 0.82 0.95 2.80 0.00 -0.61 0.19 103.07 108.12 1i1y h GLY 83 Ca 0.25 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1i1y h GLY 83 CO -0.06 0.57 0.66 -0.97 0.00 0.00 0.00 176.54 176.73 1i1y h TYR 84 N 0.59 1.24 -0.34 5.60 0.05 0.33 -1.91 116.97 122.54 1i1y h TYR 84 Ca 0.12 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1i1y h TYR 84 Cb 0.51 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1i1y h TYR 84 CO 0.04 0.74 0.00 0.66 -1.05 0.00 0.00 178.16 178.55 1i1y n TYR 85 N -4.41 0.44 -3.62 4.88 4.01 0.12 -4.95 117.16 113.63 1i1y n TYR 85 Ca 0.13 -0.22 -0.23 0.00 -0.16 0.00 0.00 57.90 57.42 1i1y n TYR 85 Cb 0.06 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 1i1y n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1i1y n ASN 86 N 0.97 -3.39 -4.92 7.72 5.15 -0.65 -4.96 115.26 115.18 1i1y n ASN 86 Ca 0.18 -0.86 -0.30 0.00 -0.60 0.00 0.00 54.58 52.99 1i1y n ASN 86 Cb 0.47 -4.05 -0.04 0.00 -0.53 0.00 0.00 39.78 35.63 1i1y n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i1y s GLN 87 N -5.70 3.47 0.64 1.20 -0.21 0.56 -5.03 119.66 114.60 1i1y s GLN 87 Ca 0.23 -0.39 -0.17 0.00 0.02 0.00 0.00 55.36 55.04 1i1y s GLN 87 Cb -0.06 -2.99 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 1i1y s GLN 87 CO 0.81 0.57 1.21 0.45 -2.12 0.00 0.00 175.29 176.21 1i1y s SER 88 N -2.60 4.87 0.00 5.90 0.15 -1.26 -4.80 113.70 115.96 1i1y s SER 88 Ca 0.36 2.38 0.30 0.00 0.70 0.00 0.00 55.95 59.70 1i1y s SER 88 Cb -0.13 -2.60 1.55 0.00 -1.71 0.00 0.00 66.02 63.14 1i1y s SER 88 CO 0.28 -1.81 2.03 1.21 1.20 0.00 0.00 173.24 176.15 1i1y n GLU 89 N -1.97 1.11 0.10 5.44 2.13 -1.26 -3.69 120.64 122.51 1i1y n GLU 89 Ca 0.14 -0.30 0.11 0.00 0.66 0.00 0.00 57.16 57.77 1i1y n GLU 89 Cb 0.50 -1.49 -0.00 0.00 0.27 0.00 0.00 31.44 30.71 1i1y n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i1y h ALA 90 N 4.01 0.51 -2.47 4.31 0.00 -1.98 -3.44 119.26 120.21 1i1y h ALA 90 Ca 0.00 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 1i1y h ALA 90 Cb 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1i1y h ALA 90 CO 0.00 0.03 -0.03 0.20 0.00 0.00 0.00 179.25 179.45 1i1y s GLY 91 N -4.38 2.35 -0.09 0.00 0.00 -1.24 -4.75 107.32 99.21 1i1y s GLY 91 Ca -0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 44.72 44.33 1i1y s GLY 91 CO 0.79 0.07 0.84 -0.45 0.00 0.00 0.00 173.10 174.35 1i1y s SER 92 N -2.18 7.09 0.29 1.64 0.15 -1.26 -4.76 113.70 114.66 1i1y s SER 92 Ca 0.48 1.33 0.11 0.00 0.70 0.00 0.00 55.95 58.57 1i1y s SER 92 Cb -0.12 -2.48 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1i1y s SER 92 CO 0.20 -0.27 -0.15 -1.00 1.20 0.00 0.00 173.24 173.22 1i1y s HIS 93 N 1.38 2.36 -0.09 3.44 3.76 -1.26 -4.95 115.29 119.93 1i1y s HIS 93 Ca 0.42 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 1i1y s HIS 93 Cb -0.18 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.43 1i1y s HIS 93 CO 0.19 0.68 -0.16 0.99 -0.85 0.00 0.00 174.74 175.59 1i1y s THR 94 N -2.50 1.46 -0.05 1.30 2.01 -1.26 -1.88 115.64 114.71 1i1y s THR 94 Ca 0.31 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1i1y s THR 94 Cb -0.04 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1i1y s THR 94 CO 0.16 0.43 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.67 1i1y s VAL 95 N 0.75 2.90 0.00 3.82 1.01 -0.26 0.67 120.40 129.29 1i1y s VAL 95 Ca -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1i1y s VAL 95 Cb -0.16 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1i1y s VAL 95 CO 0.02 0.58 -0.07 -1.10 0.00 0.00 0.00 175.10 174.54 1i1y s GLN 96 N -0.61 0.55 -0.02 2.72 -0.21 -0.78 -1.11 119.66 120.19 1i1y s GLN 96 Ca 0.09 -0.33 0.02 0.00 0.02 0.00 0.00 55.36 55.16 1i1y s GLN 96 Cb -0.11 -0.50 0.00 0.00 1.00 0.00 0.00 33.01 33.40 1i1y s GLN 96 CO 0.01 0.13 -0.07 0.50 -2.12 0.00 0.00 175.29 173.74 1i1y s ARG 97 N -0.40 0.77 -0.04 2.91 3.52 -0.14 -0.79 118.95 124.79 1i1y s ARG 97 Ca 0.01 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 1i1y s ARG 97 Cb -0.04 -0.75 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 1i1y s ARG 97 CO -0.00 0.09 -0.03 1.41 -0.81 0.00 0.00 175.30 175.96 1i1y s MET 98 N 0.20 0.63 0.07 5.12 -2.45 -0.66 -0.71 119.30 121.51 1i1y s MET 98 Ca -0.03 -0.03 -0.05 0.00 -1.25 0.00 0.00 55.69 54.34 1i1y s MET 98 Cb -0.08 -0.73 -0.02 0.00 1.25 0.00 0.00 34.83 35.25 1i1y s MET 98 CO 0.00 -0.12 0.08 1.52 1.05 0.00 0.00 175.02 177.55 1i1y s TYR 99 N 1.04 0.37 -3.75 4.11 -0.85 -1.10 -1.37 117.35 115.80 1i1y s TYR 99 Ca -0.09 -0.85 0.00 0.00 -0.52 0.00 0.00 57.07 55.60 1i1y s TYR 99 Cb -0.14 -0.24 0.00 0.00 0.38 0.00 0.00 41.96 41.96 1i1y s TYR 99 CO -0.01 -0.47 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 1i1y n GLY 100 N 0.02 -1.45 3.06 5.49 0.00 -0.89 -0.92 105.19 110.50 1i1y n GLY 100 Ca -0.14 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1i1y n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1y s ASP 102 N -1.80 3.75 0.10 0.00 1.01 -0.29 -1.22 116.67 118.23 1i1y s ASP 102 Ca -0.10 -0.50 0.08 0.00 0.71 0.00 0.00 52.55 52.74 1i1y s ASP 102 Cb -0.05 -0.55 -0.03 0.00 1.01 0.00 0.00 42.92 43.30 1i1y s ASP 102 CO -0.02 0.23 -0.19 0.68 0.21 0.00 0.00 175.17 176.07 1i1y s VAL 103 N -0.99 1.61 0.00 -1.27 -7.23 -0.47 -1.03 120.40 111.01 1i1y s VAL 103 Ca 0.15 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1i1y s VAL 103 Cb -0.10 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.33 1i1y s VAL 103 CO 0.07 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1i1y n GLY 104 N 1.02 0.31 0.26 2.32 0.00 -0.64 -1.79 105.19 106.67 1i1y n GLY 104 Ca -0.19 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.18 1i1y n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i1y h SER 105 N 0.00 0.00 -0.09 1.61 4.64 -1.91 0.21 113.55 118.01 1i1y h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i1y h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i1y h SER 105 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1i1y n ASP 106 N -2.91 1.06 -1.66 4.97 5.68 -1.26 -4.46 116.55 117.97 1i1y n ASP 106 Ca -0.00 -1.54 -0.16 0.00 -0.50 0.00 0.00 54.79 52.59 1i1y n ASP 106 Cb 0.23 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.14 1i1y n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1i1y n TRP 107 N -0.10 -0.60 -4.50 2.11 7.02 0.72 -5.00 117.44 117.10 1i1y n TRP 107 Ca 0.17 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.34 1i1y n TRP 107 Cb 0.25 -3.12 -0.12 0.00 -2.42 0.00 0.00 31.31 25.90 1i1y n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1i1y s ARG 108 N -4.50 2.10 -0.27 -0.99 0.52 -1.26 -4.82 118.95 109.73 1i1y s ARG 108 Ca 0.00 -0.99 -0.44 0.00 -0.52 0.00 0.00 55.73 53.79 1i1y s ARG 108 Cb 0.00 -2.24 -0.20 0.00 0.52 0.00 0.00 34.95 33.03 1i1y s ARG 108 CO 0.00 0.53 1.36 0.34 0.02 0.00 0.00 175.30 177.55 1i1y n PHE 109 N 1.28 1.25 -0.03 -0.53 7.35 -1.26 -1.63 117.46 123.88 1i1y n PHE 109 Ca -0.15 1.11 -0.06 0.00 -0.76 0.00 0.00 57.45 57.59 1i1y n PHE 109 Cb 0.52 -2.16 -0.03 0.00 0.35 0.00 0.00 39.48 38.16 1i1y n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1i1y n LEU 110 N 2.85 2.06 -3.50 -2.13 7.94 -0.20 -4.81 117.00 119.22 1i1y n LEU 110 Ca 0.26 0.01 -0.13 0.00 -1.11 0.00 0.00 56.01 55.04 1i1y n LEU 110 Cb 0.00 -0.22 -0.04 0.00 0.53 0.00 0.00 43.42 43.69 1i1y n LEU 110 CO 0.77 0.44 0.56 0.00 -1.11 0.00 0.00 177.39 178.04 1i1y s ARG 111 N -2.13 0.96 0.06 1.96 1.70 -1.16 -5.00 118.95 115.33 1i1y s ARG 111 Ca -0.09 -0.09 0.05 0.00 -0.47 0.00 0.00 55.73 55.13 1i1y s ARG 111 Cb 0.03 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 1i1y s ARG 111 CO 0.14 -0.37 -0.15 0.20 -1.08 0.00 0.00 175.30 174.05 1i1y s GLY 112 N -1.89 0.85 0.03 3.88 0.00 -1.26 -1.14 107.32 107.78 1i1y s GLY 112 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1i1y s GLY 112 CO -0.02 -0.92 -0.06 -0.19 0.00 0.00 0.00 173.10 171.91 1i1y s TYR 113 N -1.05 0.49 -0.29 1.90 1.51 -0.60 -4.86 117.35 114.45 1i1y s TYR 113 Ca 0.00 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1i1y s TYR 113 Cb -0.09 -0.31 0.20 0.00 -0.11 0.00 0.00 41.96 41.65 1i1y s TYR 113 CO 0.02 -0.12 0.60 -1.58 -1.11 0.00 0.00 175.55 173.36 1i1y s HIS 114 N -1.31 -1.79 0.21 2.71 2.46 -1.26 -2.09 115.29 114.22 1i1y s HIS 114 Ca -0.11 1.23 0.11 0.00 0.47 0.00 0.00 55.06 56.75 1i1y s HIS 114 Cb -0.09 0.38 -0.05 0.00 -0.13 0.00 0.00 32.58 32.69 1i1y s HIS 114 CO -0.00 -1.03 -0.22 -0.65 -2.47 0.00 0.00 174.74 170.37 1i1y s GLN 115 N 2.84 1.53 -0.16 2.88 -0.21 -0.47 0.17 119.66 126.23 1i1y s GLN 115 Ca 0.13 -1.58 -0.10 0.00 0.02 0.00 0.00 55.36 53.83 1i1y s GLN 115 Cb -0.11 -1.75 0.05 0.00 1.00 0.00 0.00 33.01 32.20 1i1y s GLN 115 CO -0.25 0.36 0.40 -0.47 -2.12 0.00 0.00 175.29 173.22 1i1y s TYR 116 N -1.96 -0.56 0.10 0.91 6.14 -0.37 -1.65 117.35 119.97 1i1y s TYR 116 Ca 0.23 1.22 0.06 0.00 0.64 0.00 0.00 57.07 59.22 1i1y s TYR 116 Cb -0.07 0.23 -0.03 0.00 0.42 0.00 0.00 41.96 42.51 1i1y s TYR 116 CO 0.11 -0.31 -0.15 0.00 0.64 0.00 0.00 175.55 175.84 1i1y s ALA 117 N 1.11 1.41 -0.16 3.97 0.00 0.03 -0.78 121.76 127.34 1i1y s ALA 117 Ca -0.07 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1i1y s ALA 117 Cb -0.07 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1i1y s ALA 117 CO -0.09 0.16 -0.16 -0.47 0.00 0.00 0.00 175.76 175.20 1i1y s TYR 118 N -1.67 2.39 -1.40 0.00 5.04 -0.64 -1.87 117.35 119.20 1i1y s TYR 118 Ca 0.04 -1.39 -0.03 0.00 -2.44 0.00 0.00 57.07 53.25 1i1y s TYR 118 Cb -0.08 -1.71 0.02 0.00 0.35 0.00 0.00 41.96 40.55 1i1y s TYR 118 CO 0.03 -0.72 0.61 -0.25 -1.34 0.00 0.00 175.55 173.87 1i1y n ASP 119 N 4.71 -1.30 0.00 4.32 8.00 0.21 -2.52 116.55 129.98 1i1y n ASP 119 Ca -0.18 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1i1y n ASP 119 Cb 0.50 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 1i1y n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1y n GLY 120 N -1.76 0.53 3.31 0.44 0.00 -1.26 -5.01 105.19 101.43 1i1y n GLY 120 Ca -0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1i1y n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1y s LYS 121 N -0.22 1.44 0.12 1.61 1.02 -1.05 -5.09 119.74 117.57 1i1y s LYS 121 Ca 0.00 -1.11 -0.35 0.00 0.02 0.00 0.00 55.97 54.53 1i1y s LYS 121 Cb 0.00 -1.68 -0.15 0.00 -0.52 0.00 0.00 37.83 35.48 1i1y s LYS 121 CO 0.00 0.42 1.53 -0.25 -0.92 0.00 0.00 175.35 176.13 1i1y n ASP 122 N 1.48 2.70 -0.02 2.83 8.00 -1.26 -1.62 116.55 128.66 1i1y n ASP 122 Ca -0.18 1.09 -0.04 0.00 0.71 0.00 0.00 54.79 56.37 1i1y n ASP 122 Cb 0.53 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.26 1i1y n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1y n TYR 123 N 3.36 0.00 -3.77 1.24 9.36 0.04 -4.72 117.16 122.67 1i1y n TYR 123 Ca 0.18 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.27 1i1y n TYR 123 Cb 0.26 -0.21 -0.12 0.00 -0.63 0.00 0.00 39.34 38.64 1i1y n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1i1y s ILE 124 N -2.21 -0.01 0.02 2.97 2.07 -0.83 -1.96 121.20 121.26 1i1y s ILE 124 Ca -0.12 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.15 1i1y s ILE 124 Cb 0.02 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 1i1y s ILE 124 CO 0.18 0.01 -0.05 0.00 -1.91 0.00 0.00 174.94 173.17 1i1y s ALA 125 N 0.30 0.34 0.11 1.50 0.00 -0.85 -1.23 121.76 121.93 1i1y s ALA 125 Ca -0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 1i1y s ALA 125 Cb -0.03 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 1i1y s ALA 125 CO -0.01 -0.02 1.10 -1.17 0.00 0.00 0.00 175.76 175.66 1i1y s LEU 126 N -0.94 4.44 0.90 0.00 2.96 0.13 -0.98 118.68 125.19 1i1y s LEU 126 Ca -0.07 1.99 -0.12 0.00 -0.22 0.00 0.00 54.13 55.71 1i1y s LEU 126 Cb -0.06 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 43.17 1i1y s LEU 126 CO -0.00 -0.29 1.13 -0.54 -1.32 0.00 0.00 176.35 175.33 1i1y s LYS 127 N 0.28 1.19 0.47 1.98 1.02 -0.14 -4.62 119.74 119.92 1i1y s LYS 127 Ca 0.52 0.37 0.15 0.00 0.02 0.00 0.00 55.97 57.04 1i1y s LYS 127 Cb -0.28 -1.84 1.08 0.00 -0.52 0.00 0.00 37.83 36.27 1i1y s LYS 127 CO 0.32 -2.18 2.03 1.49 -0.92 0.00 0.00 175.35 176.09 1i1y h GLU 128 N -1.49 0.00 0.00 1.68 4.81 -1.89 -1.15 114.58 116.55 1i1y h GLU 128 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1i1y h GLU 128 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1i1y h GLU 128 CO 0.61 0.14 0.00 -0.40 -0.73 0.00 0.00 179.01 178.63 1i1y n ASP 129 N -4.34 0.00 -2.22 1.04 5.68 -1.26 -4.83 116.55 110.62 1i1y n ASP 129 Ca -0.03 0.07 -0.19 0.00 -0.50 0.00 0.00 54.79 54.15 1i1y n ASP 129 Cb 0.21 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 39.87 1i1y n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1i1y n LEU 130 N -1.30 -1.66 0.00 -2.12 4.77 -0.43 -4.76 117.00 111.49 1i1y n LEU 130 Ca 0.08 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1i1y n LEU 130 Cb 0.14 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1i1y n LEU 130 CO 0.13 -0.37 -0.26 0.54 -1.33 0.00 0.00 177.39 176.10 1i1y n ARG 131 N -2.80 2.61 -4.55 3.23 1.74 -1.26 -4.55 116.66 111.07 1i1y n ARG 131 Ca -0.21 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.61 1i1y n ARG 131 Cb 0.66 -0.76 -0.11 0.00 -1.02 0.00 0.00 32.46 31.23 1i1y n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i1y s SER 132 N -1.37 3.52 0.05 0.55 1.04 -1.26 -4.94 113.70 111.29 1i1y s SER 132 Ca 0.00 -1.29 0.09 0.00 0.48 0.00 0.00 55.95 55.22 1i1y s SER 132 Cb 0.00 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 1i1y s SER 132 CO 0.00 -0.38 -0.24 0.26 0.98 0.00 0.00 173.24 173.86 1i1y s TRP 133 N -2.78 2.13 -0.38 5.02 0.52 -1.26 -0.96 118.94 121.22 1i1y s TRP 133 Ca 0.34 -0.40 -0.09 0.00 0.02 0.00 0.00 56.10 55.97 1i1y s TRP 133 Cb 0.07 -1.26 0.05 0.00 -1.15 0.00 0.00 33.47 31.18 1i1y s TRP 133 CO 0.16 0.13 0.19 0.99 0.02 0.00 0.00 176.95 178.45 1i1y s THR 134 N -0.83 4.19 -0.22 2.01 2.01 -0.15 -4.90 115.64 117.73 1i1y s THR 134 Ca 0.10 -1.13 -0.10 0.00 0.31 0.00 0.00 61.69 60.87 1i1y s THR 134 Cb -0.10 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1i1y s THR 134 CO 0.02 -0.30 0.14 0.00 -0.69 0.00 0.00 174.62 173.79 1i1y s ALA 135 N 1.46 3.62 -0.19 7.40 0.00 -1.26 -2.00 121.76 130.78 1i1y s ALA 135 Ca 0.01 -0.82 0.18 0.00 0.00 0.00 0.00 51.96 51.33 1i1y s ALA 135 Cb -0.20 -2.25 0.22 0.00 0.00 0.00 0.00 23.12 20.88 1i1y s ALA 135 CO 0.04 -0.07 1.52 0.00 0.00 0.00 0.00 175.76 177.25 1i1y h ALA 136 N 7.22 0.78 -2.56 0.00 0.00 -1.68 -3.46 119.26 119.56 1i1y h ALA 136 Ca -0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.17 1i1y h ALA 136 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1i1y h ALA 136 CO 0.69 0.45 0.11 -0.40 0.00 0.00 0.00 179.25 180.10 1i1y n ASP 137 N -3.21 -1.06 0.01 0.00 5.68 -1.26 -5.00 116.55 111.71 1i1y n ASP 137 Ca 0.02 -1.78 -0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1i1y n ASP 137 Cb 0.66 1.77 0.29 0.00 -1.14 0.00 0.00 41.12 42.70 1i1y n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1i1y h MET 138 N 0.00 0.50 -0.37 0.11 4.05 -1.98 0.30 114.93 117.54 1i1y h MET 138 Ca -0.16 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1i1y h MET 138 Cb 0.59 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1i1y h MET 138 CO 0.20 0.56 0.22 0.00 0.23 0.00 0.00 176.91 178.12 1i1y h ALA 139 N 1.49 0.47 -0.86 0.39 0.00 -1.96 -1.03 119.26 117.75 1i1y h ALA 139 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1i1y h ALA 139 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1i1y h ALA 139 CO 0.02 -0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.66 1i1y h ALA 140 N 1.10 1.11 -0.50 0.00 0.00 -1.67 -1.86 119.26 117.43 1i1y h ALA 140 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1i1y h ALA 140 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1i1y h ALA 140 CO -0.03 0.66 0.25 1.96 0.00 0.00 0.00 179.25 182.09 1i1y h GLN 141 N 1.22 0.69 -0.58 0.00 4.20 0.11 0.12 115.11 120.88 1i1y h GLN 141 Ca 0.30 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 1i1y h GLN 141 Cb 0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1i1y h GLN 141 CO -0.04 0.53 -0.01 1.15 -0.67 0.00 0.00 178.83 179.79 1i1y h THR 142 N 0.70 1.26 -0.68 -0.54 2.02 -0.40 -1.41 112.91 113.87 1i1y h THR 142 Ca 0.18 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.17 1i1y h THR 142 Cb 0.06 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1i1y h THR 142 CO -0.03 0.41 0.19 0.74 0.37 0.00 0.00 175.52 177.20 1i1y h THR 143 N 0.92 1.25 -0.38 3.16 2.02 -0.87 -2.84 112.91 116.18 1i1y h THR 143 Ca 0.17 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1i1y h THR 143 Cb 0.54 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1i1y h THR 143 CO 0.03 0.35 0.22 0.50 0.37 0.00 0.00 175.52 176.99 1i1y h LYS 144 N 1.01 0.52 -0.56 6.66 3.64 -0.35 -0.89 116.57 126.60 1i1y h LYS 144 Ca 0.22 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1i1y h LYS 144 Cb 0.32 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1i1y h LYS 144 CO -0.00 0.40 0.11 0.45 -2.27 0.00 0.00 179.45 178.14 1i1y h HIS 145 N 0.49 0.91 -0.08 1.91 3.86 -1.17 0.12 115.15 121.19 1i1y h HIS 145 Ca 0.13 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1i1y h HIS 145 Cb 0.03 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 1i1y h HIS 145 CO -0.03 0.77 0.05 -0.22 0.86 0.00 0.00 177.93 179.36 1i1y h LYS 146 N 0.84 0.11 0.00 2.45 3.64 -1.23 -1.61 116.57 120.77 1i1y h LYS 146 Ca 0.18 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1i1y h LYS 146 Cb 0.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1i1y h LYS 146 CO 0.00 0.14 -0.32 -1.49 -2.27 0.00 0.00 179.45 175.51 1i1y h TRP 147 N 0.06 0.00 -0.07 1.91 4.06 -0.97 -2.23 115.95 118.71 1i1y h TRP 147 Ca 0.03 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.92 1i1y h TRP 147 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1i1y h TRP 147 CO -0.05 0.32 -0.19 0.93 -3.56 0.00 0.00 178.44 175.89 1i1y h GLU 148 N 0.00 0.25 0.00 0.49 5.08 -0.50 -0.94 114.58 118.97 1i1y h GLU 148 Ca -0.00 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1i1y h GLU 148 Cb 0.71 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1i1y h GLU 148 CO 0.04 0.79 -0.18 0.00 -1.00 0.00 0.00 179.01 178.66 1i1y h ALA 149 N 0.47 1.55 -0.31 3.43 0.00 -1.19 -1.86 119.26 121.35 1i1y h ALA 149 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1i1y h ALA 149 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1i1y h ALA 149 CO 0.04 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1i1y n ALA 150 N -2.44 2.47 -3.63 0.00 0.00 -0.85 -4.97 120.51 111.09 1i1y n ALA 150 Ca -0.02 -0.71 -0.21 0.00 0.00 0.00 0.00 53.44 52.50 1i1y n ALA 150 Cb 0.25 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1i1y n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1i1y n HIS 151 N 0.74 -1.98 0.01 0.00 -0.00 -0.70 -4.90 115.22 108.39 1i1y n HIS 151 Ca 0.17 0.83 -0.18 0.00 -0.00 0.00 0.00 57.72 58.53 1i1y n HIS 151 Cb 0.41 -4.40 -0.11 0.00 -0.00 0.00 0.00 29.99 25.89 1i1y n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i1y h VAL 152 N -1.82 1.38 -0.59 1.59 2.07 -1.43 -3.21 116.25 114.24 1i1y h VAL 152 Ca -0.61 -2.12 0.08 0.00 0.82 0.00 0.00 66.70 64.87 1i1y h VAL 152 Cb 1.35 2.52 -0.07 0.00 -1.52 0.00 0.00 31.29 33.57 1i1y h VAL 152 CO 0.54 0.63 0.24 0.00 0.02 0.00 0.00 177.57 179.00 1i1y h ALA 153 N 0.35 0.77 -0.37 1.67 0.00 -1.90 -0.65 119.26 119.13 1i1y h ALA 153 Ca -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1i1y h ALA 153 Cb 1.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1i1y h ALA 153 CO 0.14 -0.17 0.12 0.93 0.00 0.00 0.00 179.25 180.28 1i1y h GLU 154 N 0.43 0.53 -0.20 0.00 3.07 -1.80 0.53 114.58 117.14 1i1y h GLU 154 Ca 0.29 -0.08 -0.20 0.00 -0.50 0.00 0.00 59.36 58.87 1i1y h GLU 154 Cb 0.33 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1i1y h GLU 154 CO -0.28 0.47 -0.66 0.37 -1.40 0.00 0.00 179.01 177.51 1i1y h GLN 155 N 0.53 0.81 -0.69 2.33 4.15 -1.17 -2.77 115.11 118.30 1i1y h GLN 155 Ca 0.13 -0.60 0.01 0.00 0.77 0.00 0.00 58.65 58.95 1i1y h GLN 155 Cb 0.16 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1i1y h GLN 155 CO -0.01 1.22 0.45 -0.07 -1.93 0.00 0.00 178.83 178.49 1i1y h LEU 156 N 0.56 0.79 -0.73 -2.39 4.07 -0.65 -2.55 115.31 114.41 1i1y h LEU 156 Ca -0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1i1y h LEU 156 Cb 1.29 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 1i1y h LEU 156 CO 0.14 0.58 0.39 -0.09 -1.08 0.00 0.00 178.44 178.39 1i1y h ARG 157 N 0.93 1.02 -0.66 1.13 2.43 -0.86 0.11 114.38 118.48 1i1y h ARG 157 Ca 0.25 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1i1y h ARG 157 Cb -0.10 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.23 1i1y h ARG 157 CO -0.05 0.76 0.23 0.00 -1.51 0.00 0.00 179.97 179.40 1i1y h ALA 158 N 1.20 1.15 0.15 2.80 0.00 -1.39 -0.92 119.26 122.24 1i1y h ALA 158 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1i1y h ALA 158 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1i1y h ALA 158 CO -0.04 0.59 -0.07 -0.92 0.00 0.00 0.00 179.25 178.81 1i1y h TYR 159 N 0.97 -0.19 -0.60 0.00 3.20 -0.97 -1.39 116.97 117.99 1i1y h TYR 159 Ca 0.22 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1i1y h TYR 159 Cb 0.25 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1i1y h TYR 159 CO 0.02 0.22 0.02 -0.07 -1.64 0.00 0.00 178.16 176.71 1i1y h LEU 160 N -0.66 1.02 0.00 2.82 3.38 -0.70 -0.24 115.31 120.94 1i1y h LEU 160 Ca -0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1i1y h LEU 160 Cb 0.49 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1i1y h LEU 160 CO 0.03 1.07 -0.20 -0.33 0.09 0.00 0.00 178.44 179.10 1i1y h GLU 161 N 0.94 0.00 0.00 1.13 5.08 -1.28 -3.35 114.58 117.09 1i1y h GLU 161 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1i1y h GLU 161 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1i1y h GLU 161 CO 0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1i1y n GLY 162 N 1.21 0.30 0.30 -3.84 0.00 -0.52 -4.73 105.19 97.90 1i1y n GLY 162 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1i1y n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i1y n THR 163 N 0.00 -0.37 0.05 2.61 -1.04 -1.16 -1.40 114.28 112.97 1i1y n THR 163 Ca 0.00 1.86 -0.12 0.00 -2.04 0.00 0.00 64.05 63.75 1i1y n THR 163 Cb 0.00 -2.52 -0.05 0.00 -1.82 0.00 0.00 70.33 65.94 1i1y n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1y h VAL 165 N -0.47 1.35 -0.34 0.00 2.07 -1.55 -1.54 116.25 115.76 1i1y h VAL 165 Ca 0.06 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1i1y h VAL 165 Cb 0.56 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1i1y h VAL 165 CO -0.28 0.50 0.16 -0.33 0.02 0.00 0.00 177.57 177.63 1i1y h GLU 166 N 0.11 0.50 -0.02 1.57 5.08 -1.04 -1.04 114.58 119.73 1i1y h GLU 166 Ca 0.00 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 1i1y h GLU 166 Cb 0.91 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1i1y h GLU 166 CO 0.07 0.47 -0.80 -1.49 -1.00 0.00 0.00 179.01 176.27 1i1y h TRP 167 N 0.41 0.32 -0.30 4.33 4.06 -1.22 -1.63 115.95 121.93 1i1y h TRP 167 Ca 0.12 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 60.95 1i1y h TRP 167 Cb 0.14 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.22 1i1y h TRP 167 CO -0.01 0.93 0.05 1.25 -3.56 0.00 0.00 178.44 177.10 1i1y h LEU 168 N 0.14 0.00 -0.38 -4.49 5.85 -1.05 0.35 115.31 115.72 1i1y h LEU 168 Ca -0.03 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1i1y h LEU 168 Cb 1.39 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1i1y h LEU 168 CO 0.12 0.04 0.17 0.03 -0.34 0.00 0.00 178.44 178.46 1i1y h ARG 169 N 0.16 0.56 -0.44 1.25 3.08 -1.09 0.89 114.38 118.79 1i1y h ARG 169 Ca 0.14 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1i1y h ARG 169 Cb 0.15 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1i1y h ARG 169 CO -0.19 0.51 0.21 -0.09 -1.07 0.00 0.00 179.97 179.34 1i1y h ARG 170 N 0.48 0.40 -0.77 0.04 2.43 -0.70 -1.34 114.38 114.92 1i1y h ARG 170 Ca 0.13 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1i1y h ARG 170 Cb 0.14 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1i1y h ARG 170 CO -0.01 0.27 0.47 1.88 -1.51 0.00 0.00 179.97 181.06 1i1y h TYR 171 N 0.42 1.00 -0.58 2.20 0.05 0.03 0.59 116.97 120.68 1i1y h TYR 171 Ca 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 1i1y h TYR 171 Cb 0.12 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1i1y h TYR 171 CO -0.11 0.67 0.23 -0.07 -1.05 0.00 0.00 178.16 177.83 1i1y h LEU 172 N 1.05 0.81 0.10 3.88 3.38 -0.59 0.68 115.31 124.63 1i1y h LEU 172 Ca 0.28 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1i1y h LEU 172 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1i1y h LEU 172 CO -0.05 0.76 -0.05 -0.33 0.09 0.00 0.00 178.44 178.86 1i1y h GLU 173 N 0.81 -0.13 -0.67 1.13 5.08 -0.98 -2.35 114.58 117.46 1i1y h GLU 173 Ca 0.19 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1i1y h GLU 173 Cb 0.20 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1i1y h GLU 173 CO -0.02 0.12 0.21 -0.91 -1.00 0.00 0.00 179.01 177.41 1i1y h ASN 174 N -0.37 0.95 -0.81 1.42 -0.26 -0.63 -2.95 115.58 112.94 1i1y h ASN 174 Ca -0.01 -0.17 -0.50 0.00 -0.56 0.00 0.00 56.30 55.05 1i1y h ASN 174 Cb 0.31 -0.25 -0.28 0.00 -1.06 0.00 0.00 38.32 37.04 1i1y h ASN 174 CO 0.02 0.89 0.32 0.61 -1.06 0.00 0.00 177.43 178.21 1i1y n GLY 175 N -0.84 5.41 0.41 2.83 0.00 0.21 -4.81 105.19 108.40 1i1y n GLY 175 Ca 0.05 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1i1y n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i1y n LYS 176 N -0.99 -0.40 -0.35 1.61 0.00 -0.89 0.12 118.16 117.27 1i1y n LYS 176 Ca 0.52 1.48 0.04 0.00 0.00 0.00 0.00 58.31 60.35 1i1y n LYS 176 Cb 1.05 -2.18 0.20 0.00 0.00 0.00 0.00 35.03 34.10 1i1y n LYS 176 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1i1y h GLU 177 N 0.00 1.08 0.00 1.64 9.09 -1.87 0.29 114.58 124.81 1i1y h GLU 177 Ca 0.19 -0.06 -0.04 0.00 0.05 0.00 0.00 59.36 59.50 1i1y h GLU 177 Cb 0.43 -0.24 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 1i1y h GLU 177 CO -0.93 0.71 -0.27 1.15 0.05 0.00 0.00 179.01 179.72 1i1y h THR 178 N 1.11 0.83 0.00 -1.06 2.02 -1.75 -3.38 112.91 110.69 1i1y h THR 178 Ca 0.43 -1.70 -0.23 0.00 0.77 0.00 0.00 66.41 65.68 1i1y h THR 178 Cb 0.24 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1i1y h THR 178 CO -0.18 0.28 -1.24 -0.07 0.37 0.00 0.00 175.52 174.68 1i1y h LEU 179 N -1.00 0.00 -2.45 2.58 3.38 -0.30 -3.30 115.31 114.23 1i1y h LEU 179 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1i1y h LEU 179 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1i1y h LEU 179 CO -0.03 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.46 1i1y n GLN 180 N -3.22 3.22 -3.78 1.13 6.02 0.10 -4.93 117.38 115.92 1i1y n GLN 180 Ca -0.06 -1.87 -0.24 0.00 -0.01 0.00 0.00 57.00 54.82 1i1y n GLN 180 Cb 0.97 -1.90 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 1i1y n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1i1y s ARG 181 N -1.99 3.47 0.00 -1.09 1.70 -1.24 -4.96 118.95 114.83 1i1y s ARG 181 Ca 0.33 -0.54 0.06 0.00 -0.47 0.00 0.00 55.73 55.11 1i1y s ARG 181 Cb 0.24 -2.85 -0.02 0.00 -0.57 0.00 0.00 34.95 31.76 1i1y s ARG 181 CO 0.11 0.39 -0.20 0.95 -1.08 0.00 0.00 175.30 175.47 1i1y s THR 182 N -1.97 1.56 -0.37 4.99 -4.23 -1.26 -4.73 115.64 109.63 1i1y s THR 182 Ca 0.36 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1i1y s THR 182 Cb -0.10 -1.31 0.09 0.00 1.34 0.00 0.00 72.50 72.52 1i1y s THR 182 CO 0.30 0.37 0.13 -1.81 -0.54 0.00 0.00 174.62 173.07 1i1y s ASP 183 N -0.65 5.09 0.46 3.99 1.01 0.13 -4.93 116.67 121.77 1i1y s ASP 183 Ca 0.07 -1.85 -0.23 0.00 0.71 0.00 0.00 52.55 51.25 1i1y s ASP 183 Cb -0.08 -1.77 -0.09 0.00 1.01 0.00 0.00 42.92 41.99 1i1y s ASP 183 CO -0.00 -0.45 1.07 0.00 0.21 0.00 0.00 175.17 176.00 1i1y n ALA 184 N 4.55 0.47 -1.78 5.23 0.00 -1.26 -1.58 120.51 126.14 1i1y n ALA 184 Ca -0.04 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 1i1y n ALA 184 Cb 0.42 -2.13 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 1i1y n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1i1y s PRO 185 N -2.23 4.27 -0.33 0.00 0.04 -1.26 -4.55 135.00 130.93 1i1y s PRO 185 Ca 0.65 2.34 -0.20 0.00 0.04 0.00 0.00 61.00 63.83 1i1y s PRO 185 Cb -0.51 -3.04 -0.00 0.00 0.04 0.00 0.00 34.50 30.99 1i1y s PRO 185 CO 0.55 -0.31 0.61 0.15 0.04 0.00 0.00 177.00 178.04 1i1y s LYS 186 N -1.85 3.76 0.09 4.56 1.02 0.58 -4.82 119.74 123.08 1i1y s LYS 186 Ca 0.50 0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.65 1i1y s LYS 186 Cb -0.42 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 1i1y s LYS 186 CO 0.56 -0.65 0.02 0.95 -0.92 0.00 0.00 175.35 175.31 1i1y s THR 187 N 2.61 4.16 0.28 2.17 -4.23 -1.26 -0.81 115.64 118.57 1i1y s THR 187 Ca 0.24 -0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 59.60 1i1y s THR 187 Cb -0.15 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.71 1i1y s THR 187 CO 0.13 0.11 0.70 -1.38 -0.54 0.00 0.00 174.62 173.64 1i1y s HIS 188 N -1.36 -0.12 0.08 3.99 -3.43 -0.99 -5.00 115.29 108.47 1i1y s HIS 188 Ca 0.27 -0.35 0.05 0.00 -0.80 0.00 0.00 55.06 54.24 1i1y s HIS 188 Cb -0.12 0.66 -0.03 0.00 -1.43 0.00 0.00 32.58 31.67 1i1y s HIS 188 CO 0.19 -1.23 -0.15 -1.64 -2.00 0.00 0.00 174.74 169.92 1i1y s MET 189 N -3.84 0.86 0.22 -0.38 -1.94 -1.26 0.10 119.30 113.06 1i1y s MET 189 Ca 0.12 -1.01 0.10 0.00 -1.71 0.00 0.00 55.69 53.19 1i1y s MET 189 Cb -0.05 -0.87 -0.05 0.00 2.01 0.00 0.00 34.83 35.87 1i1y s MET 189 CO 0.07 0.19 -0.18 0.95 -0.01 0.00 0.00 175.02 176.04 1i1y s THR 190 N -1.40 2.05 -0.11 2.05 -4.23 -0.33 -4.97 115.64 108.70 1i1y s THR 190 Ca 0.00 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1i1y s THR 190 Cb -0.09 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.69 1i1y s THR 190 CO 0.02 -0.42 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.36 1i1y s HIS 191 N -2.47 1.20 -0.18 3.99 2.46 -1.26 -1.74 115.29 117.29 1i1y s HIS 191 Ca 0.23 -0.57 -0.00 0.00 0.47 0.00 0.00 55.06 55.19 1i1y s HIS 191 Cb -0.04 -1.08 0.04 0.00 -0.13 0.00 0.00 32.58 31.37 1i1y s HIS 191 CO 0.10 -0.46 -0.05 -1.01 -2.47 0.00 0.00 174.74 170.84 1i1y s HIS 192 N 1.80 1.83 0.04 3.88 3.76 -0.66 -4.99 115.29 120.95 1i1y s HIS 192 Ca 0.04 -1.21 -0.30 0.00 -0.15 0.00 0.00 55.06 53.45 1i1y s HIS 192 Cb -0.13 -1.37 -0.08 0.00 1.11 0.00 0.00 32.58 32.11 1i1y s HIS 192 CO -0.07 -0.65 1.85 0.00 -0.85 0.00 0.00 174.74 175.02 1i1y s ALA 193 N 1.59 3.63 -0.18 -1.40 0.00 -1.26 -2.16 121.76 121.98 1i1y s ALA 193 Ca -0.00 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 1i1y s ALA 193 Cb -0.16 -3.80 -0.21 0.00 0.00 0.00 0.00 23.12 18.95 1i1y s ALA 193 CO -0.08 -1.43 0.20 1.33 0.00 0.00 0.00 175.76 175.78 1i1y n VAL 194 N 5.30 1.63 -3.41 0.00 0.24 -1.20 -4.95 118.33 115.95 1i1y n VAL 194 Ca 0.19 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1i1y n VAL 194 Cb 0.41 -1.87 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 1i1y n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1i1y n SER 195 N -3.98 0.27 -0.17 -1.34 3.41 -1.20 -5.06 113.62 105.54 1i1y n SER 195 Ca -0.35 -0.41 0.12 0.00 -0.26 0.00 0.00 58.87 57.97 1i1y n SER 195 Cb 0.86 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 65.00 1i1y n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i1y n ASP 196 N -1.11 1.04 -0.14 4.04 9.92 -1.26 -4.14 116.55 124.89 1i1y n ASP 196 Ca 0.00 -0.82 0.05 0.00 -0.53 0.00 0.00 54.79 53.49 1i1y n ASP 196 Cb 0.00 0.38 0.07 0.00 -0.64 0.00 0.00 41.12 40.93 1i1y n ASP 196 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i1y n HIS 197 N -0.95 0.00 -3.51 1.24 1.44 -1.26 -4.94 115.22 107.25 1i1y n HIS 197 Ca 0.08 -0.60 -0.09 0.00 -2.01 0.00 0.00 57.72 55.10 1i1y n HIS 197 Cb 0.36 -0.10 -0.02 0.00 0.12 0.00 0.00 29.99 30.35 1i1y n HIS 197 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1i1y s GLU 198 N -1.64 0.83 0.06 -1.40 -1.05 -1.26 -2.43 118.70 111.80 1i1y s GLU 198 Ca 0.16 -0.25 -0.12 0.00 -0.15 0.00 0.00 54.97 54.61 1i1y s GLU 198 Cb 0.14 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.22 1i1y s GLU 198 CO 0.01 -0.35 0.26 0.00 0.95 0.00 0.00 175.26 176.13 1i1y s ALA 199 N -2.90 -0.52 -0.21 -0.84 0.00 0.30 -3.20 121.76 114.39 1i1y s ALA 199 Ca 0.04 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 1i1y s ALA 199 Cb -0.01 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1i1y s ALA 199 CO -0.08 -0.44 0.50 0.99 0.00 0.00 0.00 175.76 176.73 1i1y s THR 200 N -2.92 5.12 -0.21 0.00 2.01 -0.92 0.33 115.64 119.04 1i1y s THR 200 Ca -0.02 0.90 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 1i1y s THR 200 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1i1y s THR 200 CO -0.06 0.18 0.02 -0.76 -0.69 0.00 0.00 174.62 173.31 1i1y s LEU 201 N 1.66 3.32 -0.16 4.42 1.02 -0.30 -1.65 118.68 127.00 1i1y s LEU 201 Ca 0.23 -0.20 -0.02 0.00 0.02 0.00 0.00 54.13 54.16 1i1y s LEU 201 Cb -0.15 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 1i1y s LEU 201 CO 0.09 0.04 -0.07 -0.60 0.02 0.00 0.00 176.35 175.83 1i1y s ARG 202 N 1.16 3.53 -0.23 1.70 3.52 -0.71 -1.54 118.95 126.37 1i1y s ARG 202 Ca 0.03 -0.59 -0.09 0.00 -0.13 0.00 0.00 55.73 54.95 1i1y s ARG 202 Cb -0.14 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1i1y s ARG 202 CO 0.02 0.17 0.12 0.00 -0.81 0.00 0.00 175.30 174.80 1i1y s TRP 204 N 1.10 3.03 -0.13 0.00 0.52 0.12 -1.79 118.94 121.79 1i1y s TRP 204 Ca 0.06 0.06 -0.01 0.00 0.02 0.00 0.00 56.10 56.24 1i1y s TRP 204 Cb -0.14 -1.67 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1i1y s TRP 204 CO 0.04 0.43 -0.06 0.00 0.02 0.00 0.00 176.95 177.38 1i1y s ALA 205 N -1.01 1.31 0.20 0.98 0.00 -0.72 -2.35 121.76 120.17 1i1y s ALA 205 Ca 0.17 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.62 1i1y s ALA 205 Cb -0.11 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1i1y s ALA 205 CO 0.08 -0.54 -0.15 -0.51 0.00 0.00 0.00 175.76 174.64 1i1y s LEU 206 N 1.71 2.54 -1.39 0.00 1.43 0.01 -1.58 118.68 121.40 1i1y s LEU 206 Ca 0.04 -0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 52.06 1i1y s LEU 206 Cb -0.13 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.40 1i1y s LEU 206 CO -0.08 -0.14 1.04 -0.24 0.23 0.00 0.00 176.35 177.17 1i1y n SER 207 N -0.29 -4.74 -4.71 2.29 2.88 -0.86 -0.31 113.62 107.89 1i1y n SER 207 Ca -0.09 -0.66 -0.26 0.00 -1.33 0.00 0.00 58.87 56.53 1i1y n SER 207 Cb 0.60 -4.55 -0.07 0.00 -0.75 0.00 0.00 64.21 59.44 1i1y n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i1y s PHE 208 N -3.36 2.94 -0.20 0.66 -0.12 -1.03 -4.66 117.98 112.21 1i1y s PHE 208 Ca 0.48 -0.10 -0.13 0.00 -0.05 0.00 0.00 56.93 57.12 1i1y s PHE 208 Cb -0.22 -1.41 0.06 0.00 -0.63 0.00 0.00 43.02 40.82 1i1y s PHE 208 CO 0.77 0.52 0.50 -0.47 -0.05 0.00 0.00 175.22 176.49 1i1y s TYR 209 N -1.78 -0.70 0.88 3.49 5.04 -0.61 -1.27 117.35 122.40 1i1y s TYR 209 Ca 0.29 1.50 -0.13 0.00 -2.44 0.00 0.00 57.07 56.28 1i1y s TYR 209 Cb -0.09 0.33 0.20 0.00 0.35 0.00 0.00 41.96 42.75 1i1y s TYR 209 CO 0.20 -0.37 1.20 -0.35 -1.34 0.00 0.00 175.55 174.90 1i1y n PRO 210 N 3.92 -1.05 0.14 4.97 -0.04 -1.26 0.20 135.00 141.88 1i1y n PRO 210 Ca -0.20 -2.03 0.03 0.00 -0.04 0.00 0.00 63.50 61.26 1i1y n PRO 210 Cb 0.56 -1.19 0.42 0.00 -0.04 0.00 0.00 33.50 33.26 1i1y n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i1y h ALA 211 N -1.63 1.58 -2.52 0.55 0.00 -1.96 -3.44 119.26 111.84 1i1y h ALA 211 Ca -0.39 -0.18 -0.55 0.00 0.00 0.00 0.00 54.91 53.79 1i1y h ALA 211 Cb 1.12 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 18.90 1i1y h ALA 211 CO 0.29 0.31 0.88 -1.91 0.00 0.00 0.00 179.25 178.82 1i1y n GLU 212 N -4.31 2.49 -3.53 0.00 2.13 -1.26 -4.98 120.64 111.18 1i1y n GLU 212 Ca -0.01 0.89 -0.13 0.00 0.66 0.00 0.00 57.16 58.57 1i1y n GLU 212 Cb 0.24 -2.69 -0.05 0.00 0.27 0.00 0.00 31.44 29.22 1i1y n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1i1y s ILE 213 N 0.75 0.00 -0.14 6.31 2.07 -1.26 -4.72 121.20 124.20 1i1y s ILE 213 Ca 0.74 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.98 1i1y s ILE 213 Cb -0.57 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.04 1i1y s ILE 213 CO 0.39 0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.39 1i1y s THR 214 N -1.72 1.51 -0.24 4.00 2.01 -0.52 -4.98 115.64 115.70 1i1y s THR 214 Ca -0.04 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 1i1y s THR 214 Cb -0.00 -1.42 0.07 0.00 0.01 0.00 0.00 72.50 71.15 1i1y s THR 214 CO 0.02 0.45 0.02 -0.22 -0.69 0.00 0.00 174.62 174.19 1i1y s LEU 215 N 1.50 2.05 0.09 4.42 2.96 -1.26 -0.63 118.68 127.82 1i1y s LEU 215 Ca 0.05 -1.17 0.03 0.00 -0.22 0.00 0.00 54.13 52.81 1i1y s LEU 215 Cb -0.13 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1i1y s LEU 215 CO -0.10 -0.31 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.65 1i1y s THR 216 N 1.60 0.76 0.04 3.68 2.01 0.41 -4.89 115.64 119.26 1i1y s THR 216 Ca -0.00 -1.70 0.06 0.00 0.31 0.00 0.00 61.69 60.36 1i1y s THR 216 Cb -0.18 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1i1y s THR 216 CO -0.11 -0.68 -0.12 0.26 -0.69 0.00 0.00 174.62 173.28 1i1y s TRP 217 N -2.85 2.73 0.09 4.92 0.52 -1.26 0.03 118.94 123.12 1i1y s TRP 217 Ca 0.06 -0.15 0.05 0.00 0.02 0.00 0.00 56.10 56.08 1i1y s TRP 217 Cb -0.00 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 1i1y s TRP 217 CO -0.02 0.34 -0.13 -0.65 0.02 0.00 0.00 176.95 176.51 1i1y s GLN 218 N -1.61 0.84 -0.23 4.98 -0.21 -0.12 -2.67 119.66 120.64 1i1y s GLN 218 Ca 0.17 -1.04 0.01 0.00 0.02 0.00 0.00 55.36 54.52 1i1y s GLN 218 Cb -0.11 -0.74 0.06 0.00 1.00 0.00 0.00 33.01 33.22 1i1y s GLN 218 CO 0.08 0.15 -0.07 0.50 -2.12 0.00 0.00 175.29 173.83 1i1y s ARG 219 N -2.15 1.78 -1.55 2.91 3.52 -0.39 -1.34 118.95 121.73 1i1y s ARG 219 Ca 0.01 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 1i1y s ARG 219 Cb -0.07 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1i1y s ARG 219 CO 0.02 -0.55 0.00 -0.25 -0.81 0.00 0.00 175.30 173.71 1i1y n ASP 220 N 4.66 -5.24 0.00 -2.12 8.00 0.35 -1.99 116.55 120.21 1i1y n ASP 220 Ca -0.13 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1i1y n ASP 220 Cb 0.45 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 1i1y n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1y n GLY 221 N -1.01 1.23 3.87 0.44 0.00 -1.26 -5.02 105.19 103.43 1i1y n GLY 221 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1i1y n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1y s GLU 222 N -0.04 3.55 0.39 1.61 0.41 -0.84 -5.03 118.70 118.75 1i1y s GLU 222 Ca 0.00 -0.02 -0.27 0.00 -0.41 0.00 0.00 54.97 54.26 1i1y s GLU 222 Cb 0.00 -3.18 -0.10 0.00 -1.78 0.00 0.00 34.13 29.07 1i1y s GLU 222 CO 0.00 0.75 1.45 -0.51 -0.49 0.00 0.00 175.26 176.46 1i1y s ASP 223 N -1.14 6.25 -0.23 -0.19 1.11 -1.26 -1.26 116.67 119.96 1i1y s ASP 223 Ca 0.18 2.98 0.12 0.00 0.18 0.00 0.00 52.55 56.01 1i1y s ASP 223 Cb -0.13 -2.66 0.45 0.00 1.07 0.00 0.00 42.92 41.65 1i1y s ASP 223 CO 0.08 -0.92 1.34 0.00 1.18 0.00 0.00 175.17 176.84 1i1y n GLN 224 N 0.30 1.85 -0.35 8.23 1.13 -1.09 -4.81 117.38 122.64 1i1y n GLN 224 Ca 0.02 -3.07 -0.07 0.00 -1.94 0.00 0.00 57.00 51.94 1i1y n GLN 224 Cb 0.40 -1.72 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 1i1y n GLN 224 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1i1y n THR 225 N -1.08 -0.55 0.31 5.09 -1.04 -1.26 -0.43 114.28 115.32 1i1y n THR 225 Ca 0.25 2.07 0.17 0.00 -2.04 0.00 0.00 64.05 64.50 1i1y n THR 225 Cb 0.86 -2.62 0.73 0.00 -1.82 0.00 0.00 70.33 67.48 1i1y n THR 225 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1i1y h GLN 226 N 0.00 0.00 -0.40 -2.82 1.08 -1.99 -2.74 115.11 108.23 1i1y h GLN 226 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1i1y h GLN 226 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1i1y h GLN 226 CO -0.83 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 176.80 1i1y n ASP 227 N -2.87 3.55 -4.59 1.46 8.00 0.43 -4.98 116.55 117.54 1i1y n ASP 227 Ca 0.00 -2.34 -0.34 0.00 0.71 0.00 0.00 54.79 52.83 1i1y n ASP 227 Cb 0.24 -0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 40.84 1i1y n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i1y s THR 228 N -1.61 3.91 -0.23 -3.53 2.01 -0.78 -4.60 115.64 110.81 1i1y s THR 228 Ca 0.34 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 1i1y s THR 228 Cb 0.22 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1i1y s THR 228 CO 0.17 0.58 0.41 -0.70 -0.69 0.00 0.00 174.62 174.38 1i1y s GLU 229 N -0.61 4.11 -0.17 4.92 2.12 0.13 -4.93 118.70 124.28 1i1y s GLU 229 Ca 0.09 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.60 1i1y s GLU 229 Cb -0.12 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.72 1i1y s GLU 229 CO 0.02 -0.15 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.32 1i1y s LEU 230 N 1.67 1.79 0.54 2.70 2.96 -1.26 -0.63 118.68 126.44 1i1y s LEU 230 Ca 0.18 -0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1i1y s LEU 230 Cb -0.15 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1i1y s LEU 230 CO 0.09 -0.13 0.89 0.68 -1.32 0.00 0.00 176.35 176.55 1i1y s VAL 231 N 1.53 4.82 0.30 1.68 -7.23 -1.07 -5.04 120.40 115.39 1i1y s VAL 231 Ca 0.02 0.51 -0.29 0.00 -1.81 0.00 0.00 61.98 60.40 1i1y s VAL 231 Cb -0.15 -3.86 -0.10 0.00 0.56 0.00 0.00 36.38 32.83 1i1y s VAL 231 CO -0.09 -0.96 1.30 -0.70 -0.31 0.00 0.00 175.10 174.35 1i1y s GLU 232 N -4.87 4.38 0.14 4.82 2.12 -1.26 -4.63 118.70 119.39 1i1y s GLU 232 Ca 0.51 2.17 -0.34 0.00 0.36 0.00 0.00 54.97 57.66 1i1y s GLU 232 Cb -0.11 -3.10 -0.14 0.00 0.26 0.00 0.00 34.13 31.04 1i1y s GLU 232 CO 0.48 -0.18 1.55 2.41 -0.54 0.00 0.00 175.26 178.98 1i1y n THR 233 N 1.20 0.02 -4.33 -1.70 -1.04 -1.26 -4.86 114.28 102.31 1i1y n THR 233 Ca 0.01 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 1i1y n THR 233 Cb 0.42 -1.43 -0.11 0.00 -1.82 0.00 0.00 70.33 67.39 1i1y n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i1y s ARG 234 N 0.97 1.27 0.08 -2.82 1.04 -0.31 -4.96 118.95 114.24 1i1y s ARG 234 Ca 0.80 -1.40 -0.29 0.00 -1.04 0.00 0.00 55.73 53.80 1i1y s ARG 234 Cb -0.73 -1.34 -0.05 0.00 -2.04 0.00 0.00 34.95 30.79 1i1y s ARG 234 CO 0.40 0.27 0.91 -1.25 -0.04 0.00 0.00 175.30 175.59 1i1y s PRO 235 N -2.78 4.63 0.30 3.89 0.04 -1.26 -0.73 135.00 139.09 1i1y s PRO 235 Ca 0.16 1.35 0.16 0.00 0.04 0.00 0.00 61.00 62.70 1i1y s PRO 235 Cb -0.06 -3.38 0.19 0.00 0.04 0.00 0.00 34.50 31.29 1i1y s PRO 235 CO 0.07 0.20 1.50 0.00 0.04 0.00 0.00 177.00 178.81 1i1y h ALA 236 N 5.72 0.73 0.00 8.56 0.00 -1.39 -3.47 119.26 129.41 1i1y h ALA 236 Ca -0.43 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1i1y h ALA 236 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1i1y h ALA 236 CO 0.72 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.99 1i1y n GLY 237 N 1.02 2.17 0.81 0.00 0.00 -1.26 -4.94 105.19 102.99 1i1y n GLY 237 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1i1y n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i1y n ASP 238 N 0.00 3.46 0.00 1.61 5.68 -1.26 -4.91 116.55 121.13 1i1y n ASP 238 Ca 0.00 -2.48 0.00 0.00 -0.50 0.00 0.00 54.79 51.81 1i1y n ASP 238 Cb 0.00 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1i1y n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i1y n GLY 239 N 0.09 0.15 3.87 6.12 0.00 -1.26 -5.07 105.19 109.10 1i1y n GLY 239 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1i1y n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i1y s THR 240 N -2.00 2.27 0.29 2.61 -4.23 -1.26 -4.86 115.64 108.45 1i1y s THR 240 Ca 0.00 -1.43 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 1i1y s THR 240 Cb 0.00 -2.70 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 1i1y s THR 240 CO 0.00 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.65 1i1y s PHE 241 N -2.60 2.04 0.05 3.99 0.40 -0.40 -1.02 117.98 120.45 1i1y s PHE 241 Ca 0.43 -0.65 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1i1y s PHE 241 Cb -0.02 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1i1y s PHE 241 CO 0.25 0.35 -0.01 -0.65 0.70 0.00 0.00 175.22 175.87 1i1y s GLN 242 N -3.70 0.58 -0.03 0.44 -0.21 0.09 -2.02 119.66 114.82 1i1y s GLN 242 Ca 0.30 -1.08 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 1i1y s GLN 242 Cb 0.03 0.21 0.09 0.00 1.00 0.00 0.00 33.01 34.33 1i1y s GLN 242 CO 0.13 -0.11 0.76 0.21 -2.12 0.00 0.00 175.29 174.15 1i1y s LYS 243 N -3.45 0.97 0.09 2.91 2.20 -0.62 -1.16 119.74 120.70 1i1y s LYS 243 Ca 0.02 0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.62 1i1y s LYS 243 Cb 0.04 0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 36.79 1i1y s LYS 243 CO -0.08 -0.35 0.08 1.67 -0.36 0.00 0.00 175.35 176.31 1i1y s TRP 244 N -1.93 0.52 -0.01 4.03 1.48 -1.26 -1.75 118.94 120.02 1i1y s TRP 244 Ca -0.05 -0.98 0.00 0.00 -1.06 0.00 0.00 56.10 54.02 1i1y s TRP 244 Cb -0.00 -0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.02 1i1y s TRP 244 CO 0.01 -0.49 0.02 0.00 -4.06 0.00 0.00 176.95 172.43 1i1y s ALA 245 N -3.95 0.05 0.04 2.67 0.00 -0.74 -2.58 121.76 117.26 1i1y s ALA 245 Ca 0.13 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1i1y s ALA 245 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1i1y s ALA 245 CO -0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 175.76 175.58 1i1y s ALA 246 N 0.72 0.43 0.04 0.00 0.00 0.20 -0.43 121.76 122.71 1i1y s ALA 246 Ca -0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 1i1y s ALA 246 Cb -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1i1y s ALA 246 CO -0.02 -0.13 -0.03 0.14 0.00 0.00 0.00 175.76 175.71 1i1y s VAL 247 N -1.90 0.18 -0.30 0.00 -7.23 -0.59 -0.69 120.40 109.86 1i1y s VAL 247 Ca -0.08 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1i1y s VAL 247 Cb -0.07 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1i1y s VAL 247 CO -0.02 -0.75 0.15 -0.69 -0.31 0.00 0.00 175.10 173.49 1i1y s VAL 248 N -2.70 4.67 -0.24 1.32 1.01 -1.26 -1.15 120.40 122.06 1i1y s VAL 248 Ca -0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1i1y s VAL 248 Cb -0.01 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1i1y s VAL 248 CO -0.05 0.10 0.08 -0.69 0.00 0.00 0.00 175.10 174.54 1i1y s VAL 249 N 1.63 4.45 0.60 2.92 1.01 0.15 -4.91 120.40 126.26 1i1y s VAL 249 Ca 0.05 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1i1y s VAL 249 Cb -0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1i1y s VAL 249 CO 0.07 0.35 1.25 -2.84 0.00 0.00 0.00 175.10 173.93 1i1y s PRO 250 N 1.45 2.87 0.22 2.72 0.02 -1.26 -0.54 135.00 140.48 1i1y s PRO 250 Ca 0.06 1.95 -0.32 0.00 0.02 0.00 0.00 61.00 62.71 1i1y s PRO 250 Cb -0.15 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1i1y s PRO 250 CO 0.04 -1.32 1.59 -1.13 -0.33 0.00 0.00 177.00 175.84 1i1y n SER 251 N -1.61 3.46 0.00 2.53 3.41 -1.02 -1.29 113.62 119.11 1i1y n SER 251 Ca 0.14 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1i1y n SER 251 Cb 0.49 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1i1y n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1y n GLY 252 N 2.97 0.66 0.77 5.00 0.00 -1.26 -4.91 105.19 108.41 1i1y n GLY 252 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1i1y n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i1y n GLN 253 N -2.40 2.93 -0.23 1.61 6.02 -0.41 -4.71 117.38 120.20 1i1y n GLN 253 Ca 0.00 -2.36 0.03 0.00 -0.01 0.00 0.00 57.00 54.66 1i1y n GLN 253 Cb 0.02 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 29.94 1i1y n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i1y h GLU 254 N 2.03 0.30 0.00 -1.09 3.07 -1.91 -0.30 114.58 116.68 1i1y h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1i1y h GLU 254 Cb 1.01 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1i1y h GLU 254 CO 0.09 0.20 0.00 -0.56 -1.40 0.00 0.00 179.01 177.34 1i1y h GLN 255 N 0.31 0.00 0.00 2.33 3.07 -1.84 -1.65 115.11 117.33 1i1y h GLN 255 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 1i1y h GLN 255 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1i1y h GLN 255 CO -0.44 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.48 1i1y h ARG 256 N 0.00 0.00 -5.36 0.06 3.08 -1.39 -3.46 114.38 107.30 1i1y h ARG 256 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1i1y h ARG 256 Cb 0.02 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.96 1i1y h ARG 256 CO 0.00 0.00 -0.49 0.71 -1.07 0.00 0.00 179.97 179.12 1i1y s TYR 257 N -3.38 3.44 -0.03 3.04 1.51 -0.62 -0.50 117.35 120.81 1i1y s TYR 257 Ca 0.05 0.35 0.07 0.00 -1.01 0.00 0.00 57.07 56.53 1i1y s TYR 257 Cb 0.07 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1i1y s TYR 257 CO 0.60 0.38 -0.24 0.95 -1.11 0.00 0.00 175.55 176.13 1i1y s THR 258 N 0.05 1.93 -0.21 -0.71 -4.23 -0.45 -4.34 115.64 107.66 1i1y s THR 258 Ca 0.09 -1.02 -0.11 0.00 -1.18 0.00 0.00 61.69 59.47 1i1y s THR 258 Cb -0.11 -1.61 -0.05 0.00 1.34 0.00 0.00 72.50 72.06 1i1y s THR 258 CO -0.01 0.54 0.16 0.00 -0.54 0.00 0.00 174.62 174.78 1i1y s HIS 260 N 0.67 3.02 -0.15 0.00 3.76 0.10 -0.61 115.29 122.08 1i1y s HIS 260 Ca 0.09 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1i1y s HIS 260 Cb -0.12 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.56 1i1y s HIS 260 CO 0.01 -0.20 -0.15 0.08 -0.85 0.00 0.00 174.74 173.63 1i1y s VAL 261 N 0.80 1.67 -0.12 -0.90 1.01 -0.80 -0.44 120.40 121.61 1i1y s VAL 261 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1i1y s VAL 261 Cb -0.14 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1i1y s VAL 261 CO 0.02 0.47 -0.16 -1.10 0.00 0.00 0.00 175.10 174.34 1i1y s GLN 262 N 1.41 3.30 -0.18 2.72 -0.21 0.20 -1.90 119.66 125.00 1i1y s GLN 262 Ca 0.04 -0.73 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 1i1y s GLN 262 Cb -0.13 -2.55 0.08 0.00 1.00 0.00 0.00 33.01 31.40 1i1y s GLN 262 CO -0.10 0.21 0.73 -1.58 -2.12 0.00 0.00 175.29 172.43 1i1y s HIS 263 N 0.34 -0.70 0.36 0.91 2.46 -1.26 -1.43 115.29 115.96 1i1y s HIS 263 Ca -0.13 1.52 0.11 0.00 0.47 0.00 0.00 55.06 57.04 1i1y s HIS 263 Cb -0.16 0.34 0.90 0.00 -0.13 0.00 0.00 32.58 33.52 1i1y s HIS 263 CO 0.06 -0.46 1.83 1.49 -2.47 0.00 0.00 174.74 175.19 1i1y h GLU 264 N 4.07 0.59 0.00 2.88 4.81 -1.94 0.42 114.58 125.40 1i1y h GLU 264 Ca -0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1i1y h GLU 264 Cb 1.15 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1i1y h GLU 264 CO 0.20 0.39 0.00 0.41 -0.73 0.00 0.00 179.01 179.28 1i1y n GLY 265 N -1.43 -0.89 3.51 1.92 0.00 -1.26 -4.72 105.19 102.32 1i1y n GLY 265 Ca 0.21 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1i1y n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1y s LEU 266 N -1.82 3.29 0.39 0.99 1.43 0.14 -4.32 118.68 118.79 1i1y s LEU 266 Ca 0.35 -0.12 0.14 0.00 -1.03 0.00 0.00 54.13 53.48 1i1y s LEU 266 Cb 0.16 -1.80 0.81 0.00 0.03 0.00 0.00 46.19 45.39 1i1y s LEU 266 CO 0.27 0.16 1.86 1.55 0.23 0.00 0.00 176.35 180.43 1i1y h PRO 267 N 6.75 0.00 -3.15 1.29 0.13 -1.84 -3.43 132.00 131.76 1i1y h PRO 267 Ca -0.32 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 1i1y h PRO 267 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 1i1y h PRO 267 CO 0.63 0.33 -0.41 0.21 -0.23 0.00 0.00 178.00 178.54 1i1y s LYS 268 N -4.23 0.37 0.39 0.86 2.20 -1.26 -5.13 119.74 112.94 1i1y s LYS 268 Ca -0.03 0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.53 1i1y s LYS 268 Cb 0.14 0.17 -0.11 0.00 -1.51 0.00 0.00 37.83 36.53 1i1y s LYS 268 CO 0.71 -0.06 1.20 -2.30 -0.36 0.00 0.00 175.35 174.54 1i1y n PRO 269 N 2.56 1.81 -3.44 4.03 -0.02 -1.26 -4.96 135.00 133.72 1i1y n PRO 269 Ca -0.15 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 1i1y n PRO 269 Cb 0.58 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1i1y n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i1y s LEU 270 N -1.11 4.35 -0.28 2.45 1.43 -0.80 -4.96 118.68 119.76 1i1y s LEU 270 Ca 0.60 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1i1y s LEU 270 Cb -0.55 -3.15 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1i1y s LEU 270 CO 0.59 0.13 -0.00 -0.89 0.23 0.00 0.00 176.35 176.41 1i1y s THR 271 N -1.43 1.71 0.11 5.49 2.01 -1.26 -1.91 115.64 120.37 1i1y s THR 271 Ca 0.36 -1.65 0.04 0.00 0.31 0.00 0.00 61.69 60.75 1i1y s THR 271 Cb -0.15 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1i1y s THR 271 CO 0.19 -0.35 0.09 -0.76 -0.69 0.00 0.00 174.62 173.10 1i1y s LEU 272 N 1.25 3.77 -0.14 4.42 1.43 0.22 -4.91 118.68 124.72 1i1y s LEU 272 Ca 0.02 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1i1y s LEU 272 Cb -0.19 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.67 1i1y s LEU 272 CO -0.10 0.13 0.31 -0.60 0.23 0.00 0.00 176.35 176.32 1i1y s ARG 273 N -2.67 0.23 0.06 1.70 3.52 -1.26 0.34 118.95 120.87 1i1y s ARG 273 Ca 0.30 0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 56.34 1i1y s ARG 273 Cb -0.11 0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.20 1i1y s ARG 273 CO 0.22 -0.23 1.75 -0.46 -0.81 0.00 0.00 175.30 175.77 1i1y s TRP 274 N 2.02 2.10 0.00 5.12 -0.11 -1.26 -5.06 118.94 121.75 1i1y s TRP 274 Ca -0.03 0.09 0.00 0.00 1.22 0.00 0.00 56.10 57.38 1i1y s TRP 274 Cb -0.11 -4.05 0.00 0.00 -1.50 0.00 0.00 33.47 27.81 1i1y s TRP 274 CO -0.10 -4.38 0.00 -0.85 -4.62 0.00 0.00 176.95 167.00