#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6g s SER 2 N 0.00 5.78 0.12 1.61 0.01 -1.26 -3.74 113.70 116.22 3i6g s SER 2 Ca 0.00 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.10 3i6g s SER 2 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3i6g s SER 2 CO 0.00 -1.17 0.00 -1.00 0.41 0.00 0.00 173.24 171.49 3i6g s HIS 3 N -2.41 0.87 0.01 2.43 3.76 -0.69 -4.97 115.29 114.28 3i6g s HIS 3 Ca 0.64 -1.09 -0.06 0.00 -0.15 0.00 0.00 55.06 54.40 3i6g s HIS 3 Cb -0.16 -0.51 -0.00 0.00 1.11 0.00 0.00 32.58 33.01 3i6g s HIS 3 CO 0.36 -0.36 0.11 -1.54 -0.85 0.00 0.00 174.74 172.46 3i6g s SER 4 N -3.05 0.08 -0.09 1.40 1.04 -1.26 -0.89 113.70 110.93 3i6g s SER 4 Ca 0.18 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.35 3i6g s SER 4 Cb 0.07 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 3i6g s SER 4 CO -0.02 -0.38 -0.24 -0.32 0.98 0.00 0.00 173.24 173.26 3i6g s MET 5 N -1.57 2.96 -0.01 4.02 0.00 -0.59 -0.60 119.30 123.50 3i6g s MET 5 Ca -0.14 -0.88 0.01 0.00 0.00 0.00 0.00 55.69 54.69 3i6g s MET 5 Cb -0.07 -2.28 0.00 0.00 0.00 0.00 0.00 34.83 32.48 3i6g s MET 5 CO 0.00 0.22 -0.04 1.03 0.00 0.00 0.00 175.02 176.23 3i6g s ARG 6 N 0.23 0.46 -0.08 4.11 1.81 0.07 -1.92 118.95 123.64 3i6g s ARG 6 Ca -0.16 -0.14 0.02 0.00 -1.72 0.00 0.00 55.73 53.74 3i6g s ARG 6 Cb -0.17 -0.47 -0.02 0.00 -0.45 0.00 0.00 34.95 33.83 3i6g s ARG 6 CO 0.08 0.05 -0.14 0.71 -0.68 0.00 0.00 175.30 175.32 3i6g s TYR 7 N 0.17 2.73 -0.09 -0.53 2.02 -0.09 0.10 117.35 121.66 3i6g s TYR 7 Ca -0.02 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 3i6g s TYR 7 Cb -0.05 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3i6g s TYR 7 CO -0.00 -0.01 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.69 3i6g s PHE 8 N -0.23 2.32 -0.06 2.71 0.08 -0.18 -2.23 117.98 120.38 3i6g s PHE 8 Ca 0.01 -0.94 0.04 0.00 0.12 0.00 0.00 56.93 56.16 3i6g s PHE 8 Cb -0.13 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.75 3i6g s PHE 8 CO 0.03 -0.39 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.51 3i6g s PHE 9 N 0.41 1.97 -0.09 0.36 0.08 0.40 -1.54 117.98 119.57 3i6g s PHE 9 Ca -0.18 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.22 3i6g s PHE 9 Cb -0.18 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 3i6g s PHE 9 CO 0.08 -0.25 -0.12 0.99 -0.10 0.00 0.00 175.22 175.82 3i6g s THR 10 N 0.19 1.22 -0.10 0.64 2.01 0.08 -1.50 115.64 118.18 3i6g s THR 10 Ca -0.09 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.45 3i6g s THR 10 Cb -0.14 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.24 3i6g s THR 10 CO 0.04 0.38 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.64 3i6g s SER 11 N 1.03 2.48 -0.17 3.53 0.15 -0.00 -1.39 113.70 119.34 3i6g s SER 11 Ca -0.07 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.14 3i6g s SER 11 Cb -0.15 -1.12 0.04 0.00 -1.71 0.00 0.00 66.02 63.08 3i6g s SER 11 CO -0.01 0.04 -0.09 -0.69 1.20 0.00 0.00 173.24 173.69 3i6g s VAL 12 N 0.85 1.35 0.50 4.45 1.01 -0.38 -0.41 120.40 127.77 3i6g s VAL 12 Ca -0.09 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 3i6g s VAL 12 Cb -0.15 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 3i6g s VAL 12 CO 0.00 0.23 1.28 -0.94 0.00 0.00 0.00 175.10 175.67 3i6g s SER 13 N 1.54 5.69 -0.54 3.32 1.04 -0.39 -1.47 113.70 122.90 3i6g s SER 13 Ca 0.01 2.58 0.04 0.00 0.48 0.00 0.00 55.95 59.06 3i6g s SER 13 Cb -0.15 -2.62 0.15 0.00 0.10 0.00 0.00 66.02 63.50 3i6g s SER 13 CO -0.08 -1.27 0.35 -0.13 0.98 0.00 0.00 173.24 173.09 3i6g s ARG 14 N -2.78 1.70 -0.11 4.02 0.52 -1.26 -4.22 118.95 116.81 3i6g s ARG 14 Ca 0.67 -2.57 -0.38 0.00 -0.52 0.00 0.00 55.73 52.94 3i6g s ARG 14 Cb -0.36 -2.64 -0.15 0.00 0.52 0.00 0.00 34.95 32.32 3i6g s ARG 14 CO 0.43 -1.25 1.63 -2.30 0.02 0.00 0.00 175.30 173.83 3i6g n PRO 15 N 2.80 1.35 -1.15 3.54 -0.02 -1.26 -0.47 135.00 139.79 3i6g n PRO 15 Ca 0.16 0.49 -0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3i6g n PRO 15 Cb 0.37 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 3i6g n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6g n GLY 16 N 3.67 0.57 0.76 -1.23 0.00 -1.26 -4.81 105.19 102.89 3i6g n GLY 16 Ca 0.23 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3i6g n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6g n ARG 17 N -0.60 0.68 0.00 1.61 1.74 0.38 -5.13 116.66 115.34 3i6g n ARG 17 Ca -0.05 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 3i6g n ARG 17 Cb 0.45 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 3i6g n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6g n GLY 18 N -0.42 -0.19 3.79 -0.13 0.00 -1.20 -4.90 105.19 102.14 3i6g n GLY 18 Ca 0.10 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 3i6g n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6g s GLU 19 N 0.00 3.41 0.65 1.61 0.41 -1.26 -4.41 118.70 119.11 3i6g s GLU 19 Ca 0.00 1.39 -0.18 0.00 -0.41 0.00 0.00 54.97 55.77 3i6g s GLU 19 Cb 0.00 -2.03 -0.01 0.00 -1.78 0.00 0.00 34.13 30.31 3i6g s GLU 19 CO 0.00 -0.76 1.26 -2.14 -0.49 0.00 0.00 175.26 173.13 3i6g s PRO 20 N -3.59 2.59 0.11 0.39 0.02 -1.26 -4.65 135.00 128.61 3i6g s PRO 20 Ca 0.68 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 3i6g s PRO 20 Cb -0.19 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 3i6g s PRO 20 CO 0.29 -1.54 1.14 0.50 -0.33 0.00 0.00 177.00 177.07 3i6g s ARG 21 N -3.45 4.51 -0.13 5.54 6.06 -0.54 -4.86 118.95 126.08 3i6g s ARG 21 Ca 0.80 1.73 -0.00 0.00 -2.50 0.00 0.00 55.73 55.75 3i6g s ARG 21 Cb -0.35 -3.32 0.03 0.00 0.06 0.00 0.00 34.95 31.37 3i6g s ARG 21 CO 0.39 -0.10 -0.08 0.12 -2.50 0.00 0.00 175.30 173.12 3i6g s PHE 22 N 0.50 1.65 -0.09 5.12 5.36 -1.26 -1.25 117.98 128.01 3i6g s PHE 22 Ca 0.54 -0.90 0.03 0.00 -0.96 0.00 0.00 56.93 55.64 3i6g s PHE 22 Cb -0.29 -1.31 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 3i6g s PHE 22 CO 0.32 -0.56 -0.20 0.42 -1.46 0.00 0.00 175.22 173.73 3i6g s ILE 23 N 1.65 1.77 -0.03 3.12 1.01 -0.48 -0.50 121.20 127.74 3i6g s ILE 23 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3i6g s ILE 23 Cb -0.13 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 3i6g s ILE 23 CO -0.09 0.50 -0.13 0.00 0.00 0.00 0.00 174.94 175.22 3i6g s ALA 24 N 0.51 1.17 0.03 9.38 0.00 0.71 -0.74 121.76 132.81 3i6g s ALA 24 Ca -0.16 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3i6g s ALA 24 Cb -0.17 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3i6g s ALA 24 CO 0.06 0.21 -0.08 0.14 0.00 0.00 0.00 175.76 176.09 3i6g s VAL 25 N 0.09 0.57 -0.05 0.00 -7.23 -0.59 -0.23 120.40 112.96 3i6g s VAL 25 Ca -0.03 -0.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 3i6g s VAL 25 Cb -0.10 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 3i6g s VAL 25 CO 0.01 -0.21 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.58 3i6g s GLY 26 N -1.17 1.45 0.02 2.32 0.00 -0.84 -1.01 107.32 108.09 3i6g s GLY 26 Ca -0.06 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 43.73 3i6g s GLY 26 CO 0.00 -0.72 -0.21 -0.19 0.00 0.00 0.00 173.10 171.99 3i6g s TYR 27 N -0.50 1.84 -0.22 1.90 1.51 0.12 -0.72 117.35 121.28 3i6g s TYR 27 Ca 0.06 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 3i6g s TYR 27 Cb -0.12 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 3i6g s TYR 27 CO 0.01 0.04 -0.02 0.08 -1.11 0.00 0.00 175.55 174.56 3i6g s VAL 28 N -0.66 3.65 0.00 0.71 1.01 -0.12 -0.75 120.40 124.24 3i6g s VAL 28 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3i6g s VAL 28 Cb -0.08 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3i6g s VAL 28 CO 0.01 0.41 0.00 0.47 0.00 0.00 0.00 175.10 175.99 3i6g n ASP 29 N 4.66 0.00 -1.74 3.32 8.00 0.23 -0.84 116.55 130.19 3i6g n ASP 29 Ca -0.18 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.17 3i6g n ASP 29 Cb 0.51 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.80 3i6g n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i6g n ASP 30 N 4.77 3.25 -4.08 -2.24 8.00 -1.26 -4.90 116.55 120.10 3i6g n ASP 30 Ca 0.00 -3.71 -0.32 0.00 0.71 0.00 0.00 54.79 51.47 3i6g n ASP 30 Cb 0.00 -0.74 -0.16 0.00 -0.02 0.00 0.00 41.12 40.20 3i6g n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i6g s THR 31 N -3.34 2.04 0.37 -3.53 2.01 -0.02 -5.00 115.64 108.17 3i6g s THR 31 Ca 0.51 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 3i6g s THR 31 Cb 0.45 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.85 3i6g s THR 31 CO 0.05 0.23 1.16 -1.58 -0.69 0.00 0.00 174.62 173.79 3i6g s GLN 32 N 1.23 4.20 0.00 4.92 0.74 -1.26 -0.94 119.66 128.55 3i6g s GLN 32 Ca -0.02 1.85 0.00 0.00 0.05 0.00 0.00 55.36 57.23 3i6g s GLN 32 Cb -0.17 -2.80 0.00 0.00 1.10 0.00 0.00 33.01 31.14 3i6g s GLN 32 CO -0.09 -0.19 0.00 1.97 -0.55 0.00 0.00 175.29 176.43 3i6g n PHE 33 N 0.34 0.00 -3.98 1.67 -1.74 0.10 -4.18 117.46 109.67 3i6g n PHE 33 Ca 0.03 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.84 3i6g n PHE 33 Cb 0.46 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.37 3i6g n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3i6g s VAL 34 N -0.85 0.17 -0.05 1.97 -7.23 -1.23 -0.08 120.40 113.10 3i6g s VAL 34 Ca 0.00 -1.51 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 3i6g s VAL 34 Cb 0.00 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.50 3i6g s VAL 34 CO 0.00 -0.79 0.39 0.00 -0.31 0.00 0.00 175.10 174.40 3i6g s ARG 35 N -3.90 0.70 -0.05 4.82 1.04 -0.49 -1.98 118.95 119.08 3i6g s ARG 35 Ca 0.07 0.04 0.01 0.00 -1.04 0.00 0.00 55.73 54.81 3i6g s ARG 35 Cb 0.06 0.32 0.02 0.00 -2.04 0.00 0.00 34.95 33.31 3i6g s ARG 35 CO -0.09 -0.18 -0.04 0.12 -0.04 0.00 0.00 175.30 175.06 3i6g s PHE 36 N -0.99 0.77 -0.12 5.89 5.36 0.68 -0.75 117.98 128.81 3i6g s PHE 36 Ca -0.10 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 3i6g s PHE 36 Cb -0.04 -0.71 0.02 0.00 -0.34 0.00 0.00 43.02 41.95 3i6g s PHE 36 CO 0.04 -0.22 -0.13 0.34 -1.46 0.00 0.00 175.22 173.79 3i6g s ASP 37 N 1.10 2.39 0.60 6.13 -1.08 -1.26 -0.21 116.67 124.34 3i6g s ASP 37 Ca -0.08 -0.40 0.32 0.00 -0.52 0.00 0.00 52.55 51.87 3i6g s ASP 37 Cb -0.14 -1.03 1.90 0.00 -1.46 0.00 0.00 42.92 42.19 3i6g s ASP 37 CO -0.01 -0.04 2.26 0.77 0.52 0.00 0.00 175.17 178.67 3i6g h SER 38 N 7.78 0.00 -0.04 -0.34 4.64 -1.18 -1.18 113.55 123.22 3i6g h SER 38 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3i6g h SER 38 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3i6g h SER 38 CO 0.48 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.92 3i6g n ASP 39 N -3.69 2.10 -4.66 4.97 9.92 -1.26 -4.92 116.55 119.02 3i6g n ASP 39 Ca -0.03 -1.70 -0.28 0.00 -0.53 0.00 0.00 54.79 52.25 3i6g n ASP 39 Cb 0.09 -0.01 0.11 0.00 -0.64 0.00 0.00 41.12 40.67 3i6g n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i6g s ALA 40 N -1.97 2.76 -0.02 2.24 0.00 -0.45 -5.04 121.76 119.28 3i6g s ALA 40 Ca 0.34 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 3i6g s ALA 40 Cb 0.21 -2.72 -0.33 0.00 0.00 0.00 0.00 23.12 20.27 3i6g s ALA 40 CO 0.32 -1.78 0.84 0.00 0.00 0.00 0.00 175.76 175.14 3i6g h ALA 41 N -1.06 -0.03 -0.20 0.00 0.00 -1.91 -3.37 119.26 112.70 3i6g h ALA 41 Ca -0.44 -0.93 -0.06 0.00 0.00 0.00 0.00 54.91 53.48 3i6g h ALA 41 Cb 1.29 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3i6g h ALA 41 CO 0.54 0.74 -0.12 0.66 0.00 0.00 0.00 179.25 181.06 3i6g h SER 42 N -0.01 0.30 -4.68 0.00 4.64 -1.96 -3.46 113.55 108.39 3i6g h SER 42 Ca -0.27 -0.07 -0.37 0.00 -0.47 0.00 0.00 61.79 60.62 3i6g h SER 42 Cb 2.01 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 3i6g h SER 42 CO 0.21 0.46 -0.54 0.00 -0.87 0.00 0.00 176.83 176.08 3i6g n GLN 43 N -4.25 -3.68 -4.23 4.77 1.13 -1.26 -4.98 117.38 104.87 3i6g n GLN 43 Ca -0.00 0.69 -0.13 0.00 -1.94 0.00 0.00 57.00 55.62 3i6g n GLN 43 Cb 0.28 -5.44 -0.10 0.00 0.11 0.00 0.00 30.24 25.09 3i6g n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3i6g s ARG 44 N -5.68 1.05 0.26 -1.09 0.52 -1.26 -5.05 118.95 107.70 3i6g s ARG 44 Ca 0.28 -1.48 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 3i6g s ARG 44 Cb -0.14 -0.38 -0.09 0.00 0.52 0.00 0.00 34.95 34.86 3i6g s ARG 44 CO 0.34 -0.05 1.23 1.41 0.02 0.00 0.00 175.30 178.26 3i6g s MET 45 N -3.85 4.46 0.01 3.54 -2.45 -1.26 -4.67 119.30 115.09 3i6g s MET 45 Ca 0.19 2.01 0.06 0.00 -1.25 0.00 0.00 55.69 56.70 3i6g s MET 45 Cb 0.05 -3.16 -0.02 0.00 1.25 0.00 0.00 34.83 32.95 3i6g s MET 45 CO 0.01 -0.08 -0.18 -1.21 1.05 0.00 0.00 175.02 174.62 3i6g s GLU 46 N -0.99 1.30 0.45 4.11 2.02 0.07 -4.90 118.70 120.75 3i6g s GLU 46 Ca 0.50 -0.74 -0.23 0.00 0.02 0.00 0.00 54.97 54.52 3i6g s GLU 46 Cb -0.36 -1.32 -0.08 0.00 0.10 0.00 0.00 34.13 32.48 3i6g s GLU 46 CO 0.43 0.35 1.18 -1.25 0.02 0.00 0.00 175.26 175.99 3i6g s PRO 47 N -0.77 3.80 0.00 0.39 0.04 -1.26 -1.40 135.00 135.80 3i6g s PRO 47 Ca 0.06 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3i6g s PRO 47 Cb -0.07 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3i6g s PRO 47 CO 0.00 -0.53 0.50 0.54 0.04 0.00 0.00 177.00 177.56 3i6g n ARG 48 N -0.37 0.04 -3.89 4.56 5.12 0.88 -4.85 116.66 118.16 3i6g n ARG 48 Ca 0.07 -0.51 -0.11 0.00 -1.93 0.00 0.00 57.85 55.37 3i6g n ARG 48 Cb 0.47 -0.51 -0.12 0.00 -1.16 0.00 0.00 32.46 31.15 3i6g n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i6g s ALA 49 N -0.01 -0.13 0.28 7.54 0.00 -1.24 -4.59 121.76 123.61 3i6g s ALA 49 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.89 3i6g s ALA 49 Cb 0.00 -0.00 0.54 0.00 0.00 0.00 0.00 23.12 23.66 3i6g s ALA 49 CO 0.00 -0.10 1.83 -1.35 0.00 0.00 0.00 175.76 176.14 3i6g h PRO 50 N 5.32 0.92 0.00 0.00 0.11 -1.95 -2.57 132.00 133.83 3i6g h PRO 50 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i6g h PRO 50 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i6g h PRO 50 CO 0.44 0.61 0.00 0.11 -0.21 0.00 0.00 178.00 178.95 3i6g h TRP 51 N 0.95 0.00 0.00 0.65 5.08 -1.94 -2.63 115.95 118.05 3i6g h TRP 51 Ca 0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.46 3i6g h TRP 51 Cb 0.49 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 3i6g h TRP 51 CO -0.01 0.00 -0.91 1.51 -1.28 0.00 0.00 178.44 177.75 3i6g n ILE 52 N -2.39 0.42 0.26 0.12 0.13 -0.97 -4.15 119.36 112.78 3i6g n ILE 52 Ca 0.02 -0.39 0.10 0.00 -1.10 0.00 0.00 62.75 61.39 3i6g n ILE 52 Cb 0.28 -0.14 0.71 0.00 -0.84 0.00 0.00 39.64 39.65 3i6g n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3i6g h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.50 -2.43 114.58 125.24 3i6g h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i6g h GLU 53 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3i6g h GLU 53 CO 0.00 0.06 0.00 -0.56 -1.00 0.00 0.00 179.01 177.51 3i6g h GLN 54 N 0.00 0.00 -6.85 2.33 3.07 -1.75 -3.44 115.11 108.47 3i6g h GLN 54 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 3i6g h GLN 54 Cb 0.12 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.79 3i6g h GLN 54 CO 0.01 0.00 0.67 0.39 0.09 0.00 0.00 178.83 179.98 3i6g n GLU 55 N -2.97 2.44 -1.91 0.06 -0.58 -0.92 -4.98 120.64 111.78 3i6g n GLU 55 Ca 0.01 0.86 -0.30 0.00 -0.42 0.00 0.00 57.16 57.31 3i6g n GLU 55 Cb 0.30 -2.53 0.18 0.00 -0.57 0.00 0.00 31.44 28.82 3i6g n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i6g s GLY 56 N -0.17 1.77 0.42 0.62 0.00 -1.26 -4.84 107.32 103.85 3i6g s GLY 56 Ca 0.55 -1.17 0.13 0.00 0.00 0.00 0.00 44.72 44.23 3i6g s GLY 56 CO 0.62 -0.41 1.95 -0.56 0.00 0.00 0.00 173.10 174.71 3i6g h PRO 57 N -1.64 0.46 -0.99 2.90 0.13 -1.98 -0.80 132.00 130.08 3i6g h PRO 57 Ca -0.44 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 3i6g h PRO 57 Cb 1.24 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 3i6g h PRO 57 CO 0.39 0.31 0.65 0.93 -0.23 0.00 0.00 178.00 180.05 3i6g h GLU 58 N 0.48 1.23 0.52 0.86 4.39 -1.99 0.10 114.58 120.17 3i6g h GLU 58 Ca 0.32 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 3i6g h GLU 58 Cb 0.61 -0.28 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3i6g h GLU 58 CO -0.10 0.81 -0.25 -0.92 -1.16 0.00 0.00 179.01 177.39 3i6g h TYR 59 N 1.27 -0.64 -0.81 4.33 3.20 -1.49 -2.30 116.97 120.52 3i6g h TYR 59 Ca 0.39 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 3i6g h TYR 59 Cb -0.02 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3i6g h TYR 59 CO -0.00 -0.32 0.38 -1.49 -1.64 0.00 0.00 178.16 175.09 3i6g h TRP 60 N -0.91 1.17 -0.49 -3.82 4.06 -1.29 -0.43 115.95 114.25 3i6g h TRP 60 Ca -0.07 -0.06 0.04 0.00 2.06 0.00 0.00 58.89 60.86 3i6g h TRP 60 Cb 0.61 -0.36 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 3i6g h TRP 60 CO -0.00 0.85 0.24 -0.44 -3.56 0.00 0.00 178.44 175.53 3i6g h ASP 61 N 1.15 0.33 -0.31 -3.49 3.32 -0.85 -0.28 116.42 116.29 3i6g h ASP 61 Ca 0.28 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 3i6g h ASP 61 Cb 0.13 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3i6g h ASP 61 CO -0.03 0.23 0.10 1.23 -1.72 0.00 0.00 179.24 179.05 3i6g h GLY 62 N 0.47 0.52 1.60 2.75 0.00 -0.75 -1.24 103.07 106.41 3i6g h GLY 62 Ca 0.22 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3i6g h GLY 62 CO -0.16 0.28 -0.25 0.83 0.00 0.00 0.00 176.54 177.24 3i6g h GLU 63 N 0.35 0.47 -0.33 4.80 4.39 -0.96 -0.92 114.58 122.37 3i6g h GLU 63 Ca 0.10 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 3i6g h GLU 63 Cb 0.23 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3i6g h GLU 63 CO -0.00 0.68 0.04 1.15 -1.16 0.00 0.00 179.01 179.72 3i6g h THR 64 N 0.41 1.24 -0.43 1.13 2.02 -0.88 0.41 112.91 116.81 3i6g h THR 64 Ca 0.06 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 3i6g h THR 64 Cb 0.66 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3i6g h THR 64 CO 0.05 0.28 0.05 0.03 0.37 0.00 0.00 175.52 176.30 3i6g h ARG 65 N 0.39 0.72 -0.50 6.66 3.08 -1.00 -2.33 114.38 121.40 3i6g h ARG 65 Ca 0.10 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3i6g h ARG 65 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3i6g h ARG 65 CO 0.01 0.77 0.20 0.87 -1.07 0.00 0.00 179.97 180.74 3i6g h LYS 66 N 0.57 0.75 -0.01 0.04 1.57 -1.06 -1.77 116.57 116.67 3i6g h LYS 66 Ca 0.13 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3i6g h LYS 66 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3i6g h LYS 66 CO 0.01 0.67 -0.42 -0.24 -0.57 0.00 0.00 179.45 178.90 3i6g h VAL 67 N 0.67 1.31 -0.37 0.50 3.04 -0.85 -0.47 116.25 120.08 3i6g h VAL 67 Ca 0.17 -1.46 -0.11 0.00 -1.01 0.00 0.00 66.70 64.29 3i6g h VAL 67 Cb 0.20 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 3i6g h VAL 67 CO -0.01 0.42 -0.20 0.11 -1.01 0.00 0.00 177.57 176.88 3i6g h LYS 68 N 0.01 0.79 -0.22 4.17 1.57 -1.21 -0.60 116.57 121.08 3i6g h LYS 68 Ca -0.00 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 3i6g h LYS 68 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3i6g h LYS 68 CO 0.06 0.98 -0.07 0.00 -0.57 0.00 0.00 179.45 179.84 3i6g h ALA 69 N 0.79 1.49 -0.21 3.86 0.00 -0.68 0.27 119.26 124.78 3i6g h ALA 69 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3i6g h ALA 69 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i6g h ALA 69 CO 0.06 0.36 -0.02 0.45 0.00 0.00 0.00 179.25 180.10 3i6g h HIS 70 N 0.32 0.42 0.17 0.00 3.86 -0.96 -1.38 115.15 117.58 3i6g h HIS 70 Ca 0.07 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3i6g h HIS 70 Cb 0.33 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3i6g h HIS 70 CO 0.01 0.59 -0.25 1.03 0.86 0.00 0.00 177.93 180.17 3i6g h SER 71 N 0.13 -0.70 -0.84 2.45 0.87 -0.38 -2.31 113.55 112.76 3i6g h SER 71 Ca 0.06 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.77 3i6g h SER 71 Cb 0.44 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 3i6g h SER 71 CO 0.01 -0.35 0.51 -0.61 -0.53 0.00 0.00 176.83 175.86 3i6g h GLN 72 N -0.49 0.87 -0.69 2.24 5.75 -0.48 -0.85 115.11 121.47 3i6g h GLN 72 Ca 0.02 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3i6g h GLN 72 Cb 0.49 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 3i6g h GLN 72 CO -0.11 0.58 0.40 1.15 -2.65 0.00 0.00 178.83 178.20 3i6g h THR 73 N 0.90 1.20 0.00 2.39 2.02 -0.98 -2.64 112.91 115.80 3i6g h THR 73 Ca 0.38 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3i6g h THR 73 Cb 0.25 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3i6g h THR 73 CO -0.20 0.22 -0.37 0.45 0.37 0.00 0.00 175.52 175.99 3i6g h HIS 74 N 0.94 0.00 -0.80 3.16 3.86 -0.84 -1.55 115.15 119.92 3i6g h HIS 74 Ca 0.25 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3i6g h HIS 74 Cb -0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3i6g h HIS 74 CO -0.01 0.37 0.49 -0.09 0.86 0.00 0.00 177.93 179.54 3i6g h ARG 75 N 0.00 1.08 -0.31 2.45 2.43 -0.86 -1.41 114.38 117.77 3i6g h ARG 75 Ca -0.00 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 3i6g h ARG 75 Cb 1.19 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3i6g h ARG 75 CO 0.05 0.75 -0.41 0.28 -1.51 0.00 0.00 179.97 179.13 3i6g h VAL 76 N 1.09 1.29 -0.90 0.20 2.07 -1.28 -3.27 116.25 115.45 3i6g h VAL 76 Ca 0.29 -1.59 0.08 0.00 0.82 0.00 0.00 66.70 66.29 3i6g h VAL 76 Cb -0.05 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 3i6g h VAL 76 CO -0.05 0.52 0.55 0.44 0.02 0.00 0.00 177.57 179.04 3i6g h ASP 77 N 0.60 0.84 -0.84 0.57 3.32 -0.78 -0.83 116.42 119.29 3i6g h ASP 77 Ca 0.04 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.18 3i6g h ASP 77 Cb 1.01 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 3i6g h ASP 77 CO 0.10 0.50 0.51 -0.07 -1.72 0.00 0.00 179.24 178.56 3i6g h LEU 78 N 0.95 0.78 -0.32 1.55 3.38 -1.32 0.22 115.31 120.56 3i6g h LEU 78 Ca 0.41 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.31 3i6g h LEU 78 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3i6g h LEU 78 CO -0.21 0.49 -0.19 1.23 0.09 0.00 0.00 178.44 179.85 3i6g h GLY 79 N 0.91 0.75 1.00 0.83 0.00 -1.39 -1.69 103.07 103.49 3i6g h GLY 79 Ca 0.37 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3i6g h GLY 79 CO -0.19 0.63 0.31 -0.84 0.00 0.00 0.00 176.54 176.46 3i6g h THR 80 N 0.45 1.13 -0.27 4.70 2.02 -0.54 -2.12 112.91 118.27 3i6g h THR 80 Ca 0.07 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.88 3i6g h THR 80 Cb 0.73 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3i6g h THR 80 CO 0.05 0.12 -0.39 -0.07 0.37 0.00 0.00 175.52 175.61 3i6g h LEU 81 N 0.65 0.68 -1.31 2.58 3.38 -0.57 0.21 115.31 120.92 3i6g h LEU 81 Ca 0.17 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i6g h LEU 81 Cb -0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3i6g h LEU 81 CO -0.04 0.99 0.36 -0.09 0.09 0.00 0.00 178.44 179.76 3i6g h ARG 82 N 0.53 0.83 -0.05 1.13 2.43 -1.08 -1.71 114.38 116.45 3i6g h ARG 82 Ca 0.05 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3i6g h ARG 82 Cb 0.90 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3i6g h ARG 82 CO 0.08 0.59 -0.13 0.78 -1.51 0.00 0.00 179.97 179.77 3i6g h GLY 83 N 0.88 0.20 -0.17 2.80 0.00 -0.96 0.24 103.07 106.06 3i6g h GLY 83 Ca 0.22 -0.25 0.24 0.00 0.00 0.00 0.00 47.33 47.54 3i6g h GLY 83 CO -0.04 0.23 0.56 -0.97 0.00 0.00 0.00 176.54 176.32 3i6g h TYR 84 N -0.33 0.96 -0.54 5.60 -1.99 -0.67 -0.50 116.97 119.49 3i6g h TYR 84 Ca -0.00 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3i6g h TYR 84 Cb 0.74 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.20 3i6g h TYR 84 CO 0.12 0.04 0.00 0.66 -0.00 0.00 0.00 178.16 178.98 3i6g n TYR 85 N -4.92 0.71 -4.11 4.88 4.01 -0.67 -4.94 117.16 112.13 3i6g n TYR 85 Ca 0.26 -0.43 -0.29 0.00 -0.16 0.00 0.00 57.90 57.28 3i6g n TYR 85 Cb 0.74 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.72 3i6g n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i6g n ASN 86 N 1.28 -0.56 -4.89 7.72 5.15 -0.20 -4.95 115.26 118.82 3i6g n ASN 86 Ca 0.19 -1.08 -0.30 0.00 -0.60 0.00 0.00 54.58 52.80 3i6g n ASN 86 Cb 0.55 -2.59 -0.03 0.00 -0.53 0.00 0.00 39.78 37.18 3i6g n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3i6g s GLN 87 N -6.85 3.72 0.78 1.20 -0.21 0.68 -5.01 119.66 113.97 3i6g s GLN 87 Ca 0.16 0.32 -0.12 0.00 0.02 0.00 0.00 55.36 55.74 3i6g s GLN 87 Cb -0.09 -2.45 0.06 0.00 1.00 0.00 0.00 33.01 31.53 3i6g s GLN 87 CO 0.93 0.01 1.13 -1.54 -2.12 0.00 0.00 175.29 173.70 3i6g s SER 88 N -3.25 4.72 0.00 5.90 1.04 -1.26 -4.81 113.70 116.04 3i6g s SER 88 Ca 0.49 1.03 0.30 0.00 0.48 0.00 0.00 55.95 58.25 3i6g s SER 88 Cb -0.10 -1.69 1.47 0.00 0.10 0.00 0.00 66.02 65.79 3i6g s SER 88 CO 0.32 -1.79 2.02 -0.62 0.98 0.00 0.00 173.24 174.15 3i6g n GLU 89 N -3.28 0.44 -0.16 4.02 1.02 -1.26 -3.95 120.64 117.47 3i6g n GLU 89 Ca 0.07 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 3i6g n GLU 89 Cb 0.58 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 3i6g n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i6g h ALA 90 N 3.43 0.71 -2.56 0.62 0.00 -1.98 -3.43 119.26 116.05 3i6g h ALA 90 Ca 0.00 -0.39 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 3i6g h ALA 90 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3i6g h ALA 90 CO 0.00 0.67 -0.21 0.20 0.00 0.00 0.00 179.25 179.92 3i6g s GLY 91 N -3.74 2.09 0.08 0.00 0.00 -1.25 -4.78 107.32 99.73 3i6g s GLY 91 Ca -0.11 -0.50 -0.24 0.00 0.00 0.00 0.00 44.72 43.86 3i6g s GLY 91 CO 0.87 -0.40 0.74 -0.45 0.00 0.00 0.00 173.10 173.86 3i6g s SER 92 N -2.70 7.24 0.16 1.64 0.15 -1.26 -4.68 113.70 114.25 3i6g s SER 92 Ca 0.43 1.48 0.06 0.00 0.70 0.00 0.00 55.95 58.62 3i6g s SER 92 Cb -0.11 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 3i6g s SER 92 CO 0.26 0.11 -0.12 -1.00 1.20 0.00 0.00 173.24 173.68 3i6g s HIS 93 N -0.52 1.43 -0.10 3.44 3.76 -1.26 -4.95 115.29 117.08 3i6g s HIS 93 Ca 0.36 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 3i6g s HIS 93 Cb -0.21 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 32.79 3i6g s HIS 93 CO 0.23 0.18 -0.13 0.99 -0.85 0.00 0.00 174.74 175.17 3i6g s THR 94 N -2.94 1.31 -0.16 1.30 2.01 -1.26 -1.27 115.64 114.64 3i6g s THR 94 Ca 0.17 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 3i6g s THR 94 Cb -0.00 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3i6g s THR 94 CO 0.03 0.41 0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 3i6g s VAL 95 N 1.13 4.29 -0.01 3.82 1.01 0.45 -0.05 120.40 131.04 3i6g s VAL 95 Ca -0.05 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3i6g s VAL 95 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3i6g s VAL 95 CO -0.03 0.50 -0.18 -1.10 0.00 0.00 0.00 175.10 174.28 3i6g s GLN 96 N 0.20 1.49 -0.00 2.72 -0.21 -0.09 -0.82 119.66 122.94 3i6g s GLN 96 Ca 0.01 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.75 3i6g s GLN 96 Cb -0.13 -1.44 -0.00 0.00 1.00 0.00 0.00 33.01 32.44 3i6g s GLN 96 CO 0.02 0.39 -0.06 0.50 -2.12 0.00 0.00 175.29 174.03 3i6g s ARG 97 N -0.43 0.46 -0.01 2.91 3.52 -0.56 0.00 118.95 124.84 3i6g s ARG 97 Ca 0.07 -0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 3i6g s ARG 97 Cb -0.07 -0.45 -0.00 0.00 -1.56 0.00 0.00 34.95 32.87 3i6g s ARG 97 CO -0.01 0.12 -0.07 1.41 -0.81 0.00 0.00 175.30 175.94 3i6g s MET 98 N -0.12 0.60 0.17 5.12 -2.45 -0.39 -0.45 119.30 121.77 3i6g s MET 98 Ca 0.02 -0.25 -0.18 0.00 -1.25 0.00 0.00 55.69 54.03 3i6g s MET 98 Cb -0.02 -0.58 0.04 0.00 1.25 0.00 0.00 34.83 35.52 3i6g s MET 98 CO -0.00 0.14 0.51 1.52 1.05 0.00 0.00 175.02 178.25 3i6g s TYR 99 N -0.12 -0.24 -5.00 4.11 -0.85 -0.95 -0.60 117.35 113.71 3i6g s TYR 99 Ca 0.02 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 3i6g s TYR 99 Cb -0.03 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.71 3i6g s TYR 99 CO -0.00 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.58 3i6g n GLY 100 N -0.32 -0.83 3.05 5.49 0.00 -0.82 -0.91 105.19 110.84 3i6g n GLY 100 Ca -0.13 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 3i6g n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6g s ASP 102 N -1.87 5.40 0.13 0.00 1.01 0.12 -1.55 116.67 119.92 3i6g s ASP 102 Ca -0.07 -0.05 0.06 0.00 0.71 0.00 0.00 52.55 53.20 3i6g s ASP 102 Cb -0.06 -1.41 -0.04 0.00 1.01 0.00 0.00 42.92 42.42 3i6g s ASP 102 CO -0.02 0.18 -0.14 0.68 0.21 0.00 0.00 175.17 176.08 3i6g s VAL 103 N -1.36 1.39 0.25 -1.27 -7.23 -0.07 -0.67 120.40 111.45 3i6g s VAL 103 Ca 0.28 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3i6g s VAL 103 Cb -0.12 -1.61 0.06 0.00 0.56 0.00 0.00 36.38 35.26 3i6g s VAL 103 CO 0.21 -0.44 0.34 0.61 -0.31 0.00 0.00 175.10 175.51 3i6g n GLY 104 N 0.41 -0.73 0.32 2.32 0.00 -0.79 -1.71 105.19 105.01 3i6g n GLY 104 Ca -0.14 -1.76 0.20 0.00 0.00 0.00 0.00 46.02 44.31 3i6g n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i6g h SER 105 N -0.40 0.00 -0.40 1.61 0.02 -1.92 0.11 113.55 112.58 3i6g h SER 105 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3i6g h SER 105 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3i6g h SER 105 CO 0.09 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.88 3i6g n ASP 106 N -2.93 2.63 -2.21 3.07 5.68 -1.26 -4.74 116.55 116.78 3i6g n ASP 106 Ca -0.03 -1.92 -0.20 0.00 -0.50 0.00 0.00 54.79 52.14 3i6g n ASP 106 Cb 0.15 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 3i6g n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3i6g n TRP 107 N 0.94 -0.80 -4.18 2.11 7.02 0.38 -4.99 117.44 117.92 3i6g n TRP 107 Ca 0.17 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.34 3i6g n TRP 107 Cb 0.44 -3.78 -0.08 0.00 -2.42 0.00 0.00 31.31 25.48 3i6g n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3i6g s ARG 108 N -4.73 2.73 0.01 -0.99 0.52 -1.26 -4.84 118.95 110.39 3i6g s ARG 108 Ca 0.00 -0.70 -0.38 0.00 -0.52 0.00 0.00 55.73 54.13 3i6g s ARG 108 Cb 0.00 -2.64 -0.18 0.00 0.52 0.00 0.00 34.95 32.65 3i6g s ARG 108 CO 0.00 0.59 1.28 0.34 0.02 0.00 0.00 175.30 177.52 3i6g n PHE 109 N 0.93 1.25 -0.06 -0.53 -0.00 -1.26 -1.89 117.46 115.90 3i6g n PHE 109 Ca -0.12 0.80 -0.10 0.00 -0.00 0.00 0.00 57.45 58.03 3i6g n PHE 109 Cb 0.52 -2.25 -0.05 0.00 -0.00 0.00 0.00 39.48 37.70 3i6g n PHE 109 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3i6g n LEU 110 N 2.38 1.99 -3.54 -2.13 4.77 0.15 -4.78 117.00 115.85 3i6g n LEU 110 Ca 0.20 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 56.07 3i6g n LEU 110 Cb 0.14 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 3i6g n LEU 110 CO 0.64 0.48 0.59 -0.60 -1.33 0.00 0.00 177.39 177.17 3i6g s ARG 111 N -2.22 0.86 0.14 3.23 3.52 -1.13 -4.98 118.95 118.38 3i6g s ARG 111 Ca -0.16 0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.67 3i6g s ARG 111 Cb 0.05 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 3i6g s ARG 111 CO 0.23 -0.28 -0.19 0.20 -0.81 0.00 0.00 175.30 174.45 3i6g s GLY 112 N -1.32 1.33 0.03 8.12 0.00 -1.26 0.13 107.32 114.35 3i6g s GLY 112 Ca -0.06 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.28 3i6g s GLY 112 CO 0.04 -1.45 -0.08 -0.19 0.00 0.00 0.00 173.10 171.43 3i6g s TYR 113 N -1.80 0.65 -0.29 1.90 1.51 0.24 -4.88 117.35 114.68 3i6g s TYR 113 Ca 0.13 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3i6g s TYR 113 Cb -0.07 -0.39 0.19 0.00 -0.11 0.00 0.00 41.96 41.58 3i6g s TYR 113 CO 0.06 -0.06 0.58 -1.58 -1.11 0.00 0.00 175.55 173.44 3i6g s HIS 114 N -1.02 -1.73 -0.00 2.71 2.46 -1.26 -1.95 115.29 114.49 3i6g s HIS 114 Ca -0.06 1.22 0.01 0.00 0.47 0.00 0.00 55.06 56.71 3i6g s HIS 114 Cb -0.08 0.36 -0.00 0.00 -0.13 0.00 0.00 32.58 32.73 3i6g s HIS 114 CO 0.00 -1.02 -0.04 -0.65 -2.47 0.00 0.00 174.74 170.56 3i6g s GLN 115 N 2.82 0.37 0.00 2.88 -0.21 0.23 -1.19 119.66 124.56 3i6g s GLN 115 Ca 0.13 -0.15 0.06 0.00 0.02 0.00 0.00 55.36 55.42 3i6g s GLN 115 Cb -0.12 -0.37 -0.03 0.00 1.00 0.00 0.00 33.01 33.50 3i6g s GLN 115 CO -0.25 0.09 -0.17 0.71 -2.12 0.00 0.00 175.29 173.55 3i6g s TYR 116 N -0.06 2.59 0.04 0.91 1.51 0.13 -1.26 117.35 121.22 3i6g s TYR 116 Ca 0.01 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 3i6g s TYR 116 Cb -0.02 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3i6g s TYR 116 CO -0.00 0.20 -0.17 0.00 -1.11 0.00 0.00 175.55 174.47 3i6g s ALA 117 N -0.82 1.43 -0.14 3.71 0.00 0.10 -1.28 121.76 124.76 3i6g s ALA 117 Ca 0.13 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3i6g s ALA 117 Cb -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3i6g s ALA 117 CO 0.03 0.29 -0.22 -0.47 0.00 0.00 0.00 175.76 175.39 3i6g s TYR 118 N -0.86 2.66 -1.64 0.00 5.04 -0.40 -0.91 117.35 121.24 3i6g s TYR 118 Ca 0.04 -1.33 -0.17 0.00 -2.44 0.00 0.00 57.07 53.18 3i6g s TYR 118 Cb -0.08 -1.81 0.13 0.00 0.35 0.00 0.00 41.96 40.55 3i6g s TYR 118 CO 0.02 -0.60 0.86 -0.25 -1.34 0.00 0.00 175.55 174.24 3i6g n ASP 119 N 4.03 -3.87 0.00 4.32 8.00 0.93 -2.10 116.55 127.86 3i6g n ASP 119 Ca -0.20 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3i6g n ASP 119 Cb 0.52 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 3i6g n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6g n GLY 120 N -1.51 0.77 3.45 0.44 0.00 -1.26 -5.01 105.19 102.07 3i6g n GLY 120 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3i6g n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6g s LYS 121 N -0.15 1.91 0.07 1.61 1.02 -0.89 -5.08 119.74 118.23 3i6g s LYS 121 Ca 0.00 -1.08 -0.37 0.00 0.02 0.00 0.00 55.97 54.54 3i6g s LYS 121 Cb 0.00 -2.13 -0.16 0.00 -0.52 0.00 0.00 37.83 35.02 3i6g s LYS 121 CO 0.00 0.51 1.39 -0.25 -0.92 0.00 0.00 175.35 176.08 3i6g n ASP 122 N 1.28 1.84 -0.03 2.83 8.00 -1.26 -1.27 116.55 127.94 3i6g n ASP 122 Ca -0.16 1.11 -0.07 0.00 0.71 0.00 0.00 54.79 56.38 3i6g n ASP 122 Cb 0.52 -1.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 3i6g n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6g n TYR 123 N 2.78 0.00 -3.69 1.24 9.36 -0.41 -4.65 117.16 121.79 3i6g n TYR 123 Ca 0.19 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.26 3i6g n TYR 123 Cb 0.20 -0.31 -0.08 0.00 -0.63 0.00 0.00 39.34 38.51 3i6g n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3i6g s ILE 124 N -2.45 0.02 -0.07 2.97 2.07 -1.08 -1.40 121.20 121.26 3i6g s ILE 124 Ca -0.17 -0.18 -0.09 0.00 -1.41 0.00 0.00 60.65 58.80 3i6g s ILE 124 Cb 0.03 -0.71 0.02 0.00 0.13 0.00 0.00 42.46 41.93 3i6g s ILE 124 CO 0.24 -0.10 0.23 0.00 -1.91 0.00 0.00 174.94 173.40 3i6g s ALA 125 N -0.66 -0.58 0.07 1.50 0.00 -0.72 0.22 121.76 121.59 3i6g s ALA 125 Ca -0.08 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.08 3i6g s ALA 125 Cb -0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 3i6g s ALA 125 CO 0.04 -0.15 1.22 -1.17 0.00 0.00 0.00 175.76 175.70 3i6g s LEU 126 N -0.31 4.37 0.88 0.00 2.96 -0.33 -0.63 118.68 125.62 3i6g s LEU 126 Ca -0.04 2.05 -0.12 0.00 -0.22 0.00 0.00 54.13 55.81 3i6g s LEU 126 Cb -0.03 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.20 3i6g s LEU 126 CO 0.01 -0.49 1.10 -0.54 -1.32 0.00 0.00 176.35 175.11 3i6g s LYS 127 N 1.06 1.43 0.50 1.98 1.02 0.07 -4.64 119.74 121.15 3i6g s LYS 127 Ca 0.59 0.69 0.15 0.00 0.02 0.00 0.00 55.97 57.42 3i6g s LYS 127 Cb -0.30 -1.84 1.20 0.00 -0.52 0.00 0.00 37.83 36.36 3i6g s LYS 127 CO 0.29 -2.09 2.12 1.49 -0.92 0.00 0.00 175.35 176.24 3i6g h GLU 128 N -1.43 0.11 0.00 1.68 4.81 -1.89 0.74 114.58 118.60 3i6g h GLU 128 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3i6g h GLU 128 Cb 1.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3i6g h GLU 128 CO 0.57 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 178.52 3i6g n ASP 129 N -4.52 0.00 -2.09 1.04 5.75 -1.26 -4.83 116.55 110.64 3i6g n ASP 129 Ca -0.01 0.06 -0.17 0.00 -0.01 0.00 0.00 54.79 54.66 3i6g n ASP 129 Cb 0.13 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 3i6g n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3i6g n LEU 130 N -1.27 -1.49 0.00 -2.12 4.77 0.25 -4.78 117.00 112.37 3i6g n LEU 130 Ca 0.07 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3i6g n LEU 130 Cb 0.10 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.63 3i6g n LEU 130 CO 0.10 -0.44 0.01 0.54 -1.33 0.00 0.00 177.39 176.27 3i6g n ARG 131 N -2.65 3.29 -4.15 3.23 1.74 -1.26 -4.60 116.66 112.26 3i6g n ARG 131 Ca -0.19 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.76 3i6g n ARG 131 Cb 0.63 -0.28 -0.09 0.00 -1.02 0.00 0.00 32.46 31.69 3i6g n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i6g s SER 132 N -0.47 0.14 0.04 0.55 1.04 -1.26 -4.93 113.70 108.81 3i6g s SER 132 Ca 0.00 -1.26 0.08 0.00 0.48 0.00 0.00 55.95 55.26 3i6g s SER 132 Cb 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3i6g s SER 132 CO 0.00 -0.86 -0.24 0.26 0.98 0.00 0.00 173.24 173.38 3i6g s TRP 133 N -4.10 2.10 -0.29 5.02 0.52 -1.26 -0.75 118.94 120.17 3i6g s TRP 133 Ca 0.32 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.97 3i6g s TRP 133 Cb 0.06 -1.26 0.00 0.00 -1.15 0.00 0.00 33.47 31.12 3i6g s TRP 133 CO 0.09 0.10 0.09 0.99 0.02 0.00 0.00 176.95 178.24 3i6g s THR 134 N -0.78 4.08 -0.16 2.01 2.01 0.20 -4.90 115.64 118.11 3i6g s THR 134 Ca 0.10 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 3i6g s THR 134 Cb -0.09 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3i6g s THR 134 CO 0.02 0.10 0.11 0.00 -0.69 0.00 0.00 174.62 174.15 3i6g s ALA 135 N 1.53 3.66 0.16 7.40 0.00 -1.26 -1.76 121.76 131.49 3i6g s ALA 135 Ca 0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3i6g s ALA 135 Cb -0.17 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3i6g s ALA 135 CO 0.03 0.37 1.38 0.00 0.00 0.00 0.00 175.76 177.55 3i6g h ALA 136 N 5.91 0.51 -3.07 0.00 0.00 -1.50 -3.47 119.26 117.65 3i6g h ALA 136 Ca -0.46 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 53.69 3i6g h ALA 136 Cb 1.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3i6g h ALA 136 CO 0.66 0.81 -0.04 -0.40 0.00 0.00 0.00 179.25 180.28 3i6g n ASP 137 N -3.77 -0.57 -0.25 0.00 5.68 -1.26 -5.02 116.55 111.36 3i6g n ASP 137 Ca -0.05 -1.73 -0.04 0.00 -0.50 0.00 0.00 54.79 52.47 3i6g n ASP 137 Cb 0.77 1.05 0.12 0.00 -1.14 0.00 0.00 41.12 41.91 3i6g n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3i6g h MET 138 N 0.00 1.09 -0.40 0.11 2.86 -2.00 -2.14 114.93 114.45 3i6g h MET 138 Ca -0.11 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3i6g h MET 138 Cb 0.47 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3i6g h MET 138 CO 0.15 0.87 0.25 0.00 1.06 0.00 0.00 176.91 179.24 3i6g h ALA 139 N 1.27 0.50 0.00 6.32 0.00 -1.97 -2.41 119.26 122.97 3i6g h ALA 139 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3i6g h ALA 139 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i6g h ALA 139 CO -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.07 3i6g h ALA 140 N 1.16 1.61 -0.60 0.00 0.00 -1.73 -1.68 119.26 118.02 3i6g h ALA 140 Ca 0.15 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3i6g h ALA 140 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3i6g h ALA 140 CO -0.05 0.11 0.39 1.96 0.00 0.00 0.00 179.25 181.67 3i6g h GLN 141 N 0.00 0.75 -0.91 0.00 1.08 -0.88 -0.77 115.11 114.37 3i6g h GLN 141 Ca -0.00 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 3i6g h GLN 141 Cb 0.19 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3i6g h GLN 141 CO 0.01 0.49 0.51 1.15 -0.95 0.00 0.00 178.83 180.04 3i6g h THR 142 N 0.77 1.26 -0.26 -0.54 2.02 -1.34 -0.19 112.91 114.63 3i6g h THR 142 Ca 0.23 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 3i6g h THR 142 Cb -0.03 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 3i6g h THR 142 CO -0.05 0.29 -0.10 0.74 0.37 0.00 0.00 175.52 176.76 3i6g h THR 143 N 1.28 1.29 -0.29 3.16 2.02 -1.38 -2.64 112.91 116.35 3i6g h THR 143 Ca 0.32 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.40 3i6g h THR 143 Cb 0.01 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 3i6g h THR 143 CO -0.05 0.36 -0.14 0.50 0.37 0.00 0.00 175.52 176.56 3i6g h LYS 144 N 0.26 -0.09 -0.31 6.66 3.64 -0.69 -0.09 116.57 125.96 3i6g h LYS 144 Ca 0.06 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3i6g h LYS 144 Cb 0.60 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3i6g h LYS 144 CO 0.03 -0.06 -0.11 0.45 -2.27 0.00 0.00 179.45 177.50 3i6g h HIS 145 N -0.09 0.55 -0.18 1.91 3.86 -1.03 0.04 115.15 120.21 3i6g h HIS 145 Ca 0.15 -0.08 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 3i6g h HIS 145 Cb 0.32 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3i6g h HIS 145 CO -0.33 0.61 -0.48 -0.22 0.86 0.00 0.00 177.93 178.37 3i6g h LYS 146 N 0.48 0.46 0.00 2.45 3.64 -1.04 -1.27 116.57 121.28 3i6g h LYS 146 Ca 0.09 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.06 3i6g h LYS 146 Cb 0.47 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3i6g h LYS 146 CO 0.03 0.84 -0.74 -1.49 -2.27 0.00 0.00 179.45 175.82 3i6g h TRP 147 N 0.37 0.00 -0.28 1.91 4.06 -0.42 -2.02 115.95 119.57 3i6g h TRP 147 Ca 0.02 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.85 3i6g h TRP 147 Cb 0.97 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 3i6g h TRP 147 CO 0.03 0.73 -0.28 0.93 -3.56 0.00 0.00 178.44 176.29 3i6g h GLU 148 N 0.00 0.68 -0.08 0.49 5.08 -0.91 -0.50 114.58 119.34 3i6g h GLU 148 Ca -0.01 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3i6g h GLU 148 Cb 1.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3i6g h GLU 148 CO 0.10 0.97 -0.21 0.00 -1.00 0.00 0.00 179.01 178.87 3i6g h ALA 149 N 0.69 1.51 -0.27 3.43 0.00 -1.14 -1.92 119.26 121.56 3i6g h ALA 149 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i6g h ALA 149 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i6g h ALA 149 CO 0.07 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3i6g n ALA 150 N -2.49 2.47 -3.87 0.00 0.00 -0.77 -4.95 120.51 110.91 3i6g n ALA 150 Ca -0.01 -0.74 -0.25 0.00 0.00 0.00 0.00 53.44 52.44 3i6g n ALA 150 Cb 0.30 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.77 3i6g n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i6g n HIS 151 N 0.87 -1.84 -0.11 0.00 -0.00 -0.72 -4.89 115.22 108.53 3i6g n HIS 151 Ca 0.17 0.81 -0.12 0.00 -0.00 0.00 0.00 57.72 58.58 3i6g n HIS 151 Cb 0.46 -3.97 -0.03 0.00 -0.00 0.00 0.00 29.99 26.45 3i6g n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3i6g h VAL 152 N -1.86 1.29 -0.79 1.59 2.07 -1.37 -3.27 116.25 113.91 3i6g h VAL 152 Ca -0.61 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 65.65 3i6g h VAL 152 Cb 1.37 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 3i6g h VAL 152 CO 0.62 0.43 0.48 0.00 0.02 0.00 0.00 177.57 179.12 3i6g h ALA 153 N 0.78 1.07 -0.62 1.67 0.00 -1.90 -0.54 119.26 119.72 3i6g h ALA 153 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3i6g h ALA 153 Cb 0.73 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3i6g h ALA 153 CO 0.05 0.23 0.34 1.49 0.00 0.00 0.00 179.25 181.36 3i6g h GLU 154 N 0.90 0.62 -0.19 0.00 4.81 -1.81 0.74 114.58 119.65 3i6g h GLU 154 Ca 0.34 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.35 3i6g h GLU 154 Cb 0.13 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 3i6g h GLU 154 CO -0.16 0.41 -0.63 1.96 -0.73 0.00 0.00 179.01 179.86 3i6g h GLN 155 N 0.64 0.67 -0.31 1.92 4.20 -1.39 -2.70 115.11 118.15 3i6g h GLN 155 Ca 0.27 -0.47 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 3i6g h GLN 155 Cb 0.15 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3i6g h GLN 155 CO -0.16 1.09 0.13 -0.07 -0.67 0.00 0.00 178.83 179.15 3i6g h LEU 156 N 0.50 0.43 -0.50 1.46 3.38 -0.87 -2.96 115.31 116.75 3i6g h LEU 156 Ca -0.01 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3i6g h LEU 156 Cb 1.22 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3i6g h LEU 156 CO 0.13 0.47 0.13 -0.09 0.09 0.00 0.00 178.44 179.17 3i6g h ARG 157 N 0.36 0.27 -0.80 1.13 2.43 -0.76 0.15 114.38 117.15 3i6g h ARG 157 Ca 0.10 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3i6g h ARG 157 Cb 0.18 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3i6g h ARG 157 CO -0.01 0.18 0.50 0.00 -1.51 0.00 0.00 179.97 179.13 3i6g h ALA 158 N 1.37 1.07 -0.07 2.80 0.00 -1.42 0.01 119.26 123.02 3i6g h ALA 158 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3i6g h ALA 158 Cb 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i6g h ALA 158 CO -0.30 0.27 0.01 -0.92 0.00 0.00 0.00 179.25 178.31 3i6g h TYR 159 N 0.94 0.12 -0.60 0.00 3.20 -1.11 -1.59 116.97 117.93 3i6g h TYR 159 Ca 0.34 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.14 3i6g h TYR 159 Cb 0.09 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3i6g h TYR 159 CO -0.04 0.36 0.18 -0.07 -1.64 0.00 0.00 178.16 176.95 3i6g h LEU 160 N -0.14 0.89 0.00 2.82 3.38 -0.29 0.22 115.31 122.19 3i6g h LEU 160 Ca 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3i6g h LEU 160 Cb 0.30 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i6g h LEU 160 CO 0.00 0.87 -0.45 -0.33 0.09 0.00 0.00 178.44 178.62 3i6g h GLU 161 N 0.86 0.00 0.00 1.13 5.08 -1.07 -3.36 114.58 117.22 3i6g h GLU 161 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3i6g h GLU 161 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3i6g h GLU 161 CO -0.00 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3i6g n GLY 162 N 1.14 0.09 0.18 -3.84 0.00 -0.60 -4.64 105.19 97.51 3i6g n GLY 162 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3i6g n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i6g h THR 163 N 0.00 0.68 -0.84 2.61 2.02 -1.53 -0.51 112.91 115.35 3i6g h THR 163 Ca 0.00 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.22 3i6g h THR 163 Cb 0.00 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 3i6g h THR 163 CO 0.00 0.02 0.50 0.00 0.37 0.00 0.00 175.52 176.41 3i6g h VAL 165 N 0.87 1.27 -0.30 0.00 2.07 -1.46 -2.02 116.25 116.67 3i6g h VAL 165 Ca 0.39 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.66 3i6g h VAL 165 Cb 0.28 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3i6g h VAL 165 CO -0.21 0.46 0.04 -0.33 0.02 0.00 0.00 177.57 177.54 3i6g h GLU 166 N 0.91 0.14 -0.27 1.57 5.08 0.11 -1.44 114.58 120.67 3i6g h GLU 166 Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i6g h GLU 166 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3i6g h GLU 166 CO 0.05 0.09 0.17 -1.49 -1.00 0.00 0.00 179.01 176.83 3i6g h TRP 167 N 0.14 0.35 -0.68 4.33 4.06 -1.08 -1.70 115.95 121.37 3i6g h TRP 167 Ca 0.14 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.17 3i6g h TRP 167 Cb 0.16 -0.11 -0.06 0.00 -1.00 0.00 0.00 29.16 28.15 3i6g h TRP 167 CO -0.19 0.25 0.36 1.25 -3.56 0.00 0.00 178.44 176.55 3i6g h LEU 168 N 0.34 0.50 -0.12 -4.49 5.85 -1.00 0.27 115.31 116.66 3i6g h LEU 168 Ca 0.10 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3i6g h LEU 168 Cb -0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3i6g h LEU 168 CO -0.02 0.31 0.05 0.03 -0.34 0.00 0.00 178.44 178.47 3i6g h ARG 169 N 0.64 0.17 -0.89 1.25 3.08 -1.02 0.34 114.38 117.95 3i6g h ARG 169 Ca 0.32 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.35 3i6g h ARG 169 Cb 0.27 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3i6g h ARG 169 CO -0.22 0.27 0.59 -0.09 -1.07 0.00 0.00 179.97 179.45 3i6g h ARG 170 N 0.03 1.17 -0.42 0.04 2.43 -0.71 -1.82 114.38 115.10 3i6g h ARG 170 Ca 0.04 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3i6g h ARG 170 Cb 0.16 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3i6g h ARG 170 CO -0.00 0.77 -0.03 1.88 -1.51 0.00 0.00 179.97 181.09 3i6g h TYR 171 N 1.21 0.83 -0.53 2.20 0.05 -0.29 -2.04 116.97 118.39 3i6g h TYR 171 Ca 0.33 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 3i6g h TYR 171 Cb -0.14 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.36 3i6g h TYR 171 CO -0.01 0.83 0.22 -0.07 -1.05 0.00 0.00 178.16 178.08 3i6g h LEU 172 N 0.58 0.70 0.08 3.88 3.38 -0.60 0.10 115.31 123.43 3i6g h LEU 172 Ca 0.11 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.72 3i6g h LEU 172 Cb 0.52 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.11 3i6g h LEU 172 CO 0.03 0.63 -1.21 1.05 0.09 0.00 0.00 178.44 179.02 3i6g h GLU 173 N 0.76 0.52 -0.30 1.13 4.11 -1.27 -2.01 114.58 117.53 3i6g h GLU 173 Ca 0.18 -0.71 -0.09 0.00 0.07 0.00 0.00 59.36 58.82 3i6g h GLU 173 Cb 0.15 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3i6g h GLU 173 CO -0.02 1.31 -0.19 -0.91 0.07 0.00 0.00 179.01 179.27 3i6g h ASN 174 N 0.22 0.54 -0.69 3.06 -0.26 -1.17 -3.01 115.58 114.28 3i6g h ASN 174 Ca -0.16 -0.17 -0.03 0.00 -0.56 0.00 0.00 56.30 55.37 3i6g h ASN 174 Cb 1.89 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 38.97 3i6g h ASN 174 CO 0.22 0.74 0.30 1.23 -1.06 0.00 0.00 177.43 178.86 3i6g h GLY 175 N 0.98 1.09 0.00 2.83 0.00 -0.78 -3.46 103.07 103.73 3i6g h GLY 175 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3i6g h GLY 175 CO 0.04 0.54 0.00 1.17 0.00 0.00 0.00 176.54 178.29 3i6g n LYS 176 N -4.41 0.00 0.16 4.80 3.00 -0.76 -3.33 118.16 117.63 3i6g n LYS 176 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.22 3i6g n LYS 176 Cb 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.11 3i6g n LYS 176 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3i6g h GLU 177 N 0.00 -0.34 0.77 1.64 3.07 -1.90 -2.94 114.58 114.87 3i6g h GLU 177 Ca 0.00 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 3i6g h GLU 177 Cb 0.00 0.08 0.01 0.00 -0.84 0.00 0.00 28.75 27.99 3i6g h GLU 177 CO 0.00 -0.19 -0.38 1.79 -1.40 0.00 0.00 179.01 178.83 3i6g h THR 178 N -0.40 0.22 -0.81 1.13 1.35 -1.96 -3.23 112.91 109.21 3i6g h THR 178 Ca -0.04 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.92 3i6g h THR 178 Cb 0.31 0.22 -0.07 0.00 -1.73 0.00 0.00 68.15 66.87 3i6g h THR 178 CO 0.06 0.00 0.45 -0.07 -0.25 0.00 0.00 175.52 175.71 3i6g h LEU 179 N -1.05 0.63 -0.28 3.87 3.38 -1.66 -2.43 115.31 117.78 3i6g h LEU 179 Ca -0.10 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i6g h LEU 179 Cb 0.81 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3i6g h LEU 179 CO 0.16 0.36 -0.08 0.00 0.09 0.00 0.00 178.44 178.97 3i6g n GLN 180 N -4.77 0.83 -1.55 1.13 6.02 -1.11 -4.91 117.38 113.02 3i6g n GLN 180 Ca 0.13 -0.28 -0.32 0.00 -0.01 0.00 0.00 57.00 56.52 3i6g n GLN 180 Cb 0.28 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 30.11 3i6g n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3i6g s ARG 181 N -2.36 2.53 -0.05 -1.09 1.70 -0.92 -4.99 118.95 113.78 3i6g s ARG 181 Ca 0.33 1.35 0.02 0.00 -0.47 0.00 0.00 55.73 56.96 3i6g s ARG 181 Cb 0.20 -1.92 0.01 0.00 -0.57 0.00 0.00 34.95 32.68 3i6g s ARG 181 CO 0.44 -1.46 -0.10 0.95 -1.08 0.00 0.00 175.30 174.06 3i6g s THR 182 N -2.50 0.95 -0.23 4.99 -4.23 -1.26 -4.66 115.64 108.70 3i6g s THR 182 Ca 0.66 -0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 3i6g s THR 182 Cb -0.20 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.77 3i6g s THR 182 CO 0.47 0.31 -0.06 -1.81 -0.54 0.00 0.00 174.62 172.99 3i6g s ASP 183 N 0.56 4.22 0.47 3.99 1.01 0.35 -4.94 116.67 122.34 3i6g s ASP 183 Ca -0.11 -0.53 -0.22 0.00 0.71 0.00 0.00 52.55 52.39 3i6g s ASP 183 Cb -0.14 -1.70 -0.07 0.00 1.01 0.00 0.00 42.92 42.02 3i6g s ASP 183 CO 0.02 -0.05 1.17 0.00 0.21 0.00 0.00 175.17 176.52 3i6g s ALA 184 N 1.43 2.93 0.22 5.23 0.00 -1.26 -1.76 121.76 128.55 3i6g s ALA 184 Ca 0.04 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 3i6g s ALA 184 Cb -0.15 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 3i6g s ALA 184 CO -0.04 -0.70 1.50 -2.14 0.00 0.00 0.00 175.76 174.38 3i6g s PRO 185 N -2.78 4.24 -0.36 0.00 0.02 -1.26 -4.50 135.00 130.35 3i6g s PRO 185 Ca 0.65 2.34 -0.22 0.00 0.02 0.00 0.00 61.00 63.79 3i6g s PRO 185 Cb -0.28 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.12 3i6g s PRO 185 CO 0.34 -0.51 0.73 0.15 -0.33 0.00 0.00 177.00 177.39 3i6g s LYS 186 N 0.19 3.74 0.22 5.54 1.02 0.25 -4.83 119.74 125.86 3i6g s LYS 186 Ca 0.64 0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.92 3i6g s LYS 186 Cb -0.43 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.04 3i6g s LYS 186 CO 0.39 -0.80 0.24 0.95 -0.92 0.00 0.00 175.35 175.21 3i6g s THR 187 N 2.96 4.80 0.17 2.17 -4.23 -1.26 -1.32 115.64 118.93 3i6g s THR 187 Ca 0.29 -1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 59.43 3i6g s THR 187 Cb -0.14 -3.55 0.07 0.00 1.34 0.00 0.00 72.50 70.21 3i6g s THR 187 CO 0.16 -0.26 0.97 -1.38 -0.54 0.00 0.00 174.62 173.57 3i6g s HIS 188 N -1.97 -0.07 0.05 3.99 -3.43 -1.07 -5.00 115.29 107.79 3i6g s HIS 188 Ca 0.33 -0.29 0.05 0.00 -0.80 0.00 0.00 55.06 54.35 3i6g s HIS 188 Cb -0.09 0.67 -0.02 0.00 -1.43 0.00 0.00 32.58 31.70 3i6g s HIS 188 CO 0.26 -0.89 -0.13 1.41 -2.00 0.00 0.00 174.74 173.39 3i6g s MET 189 N -2.96 0.82 0.33 -0.38 1.75 -1.26 -0.55 119.30 117.05 3i6g s MET 189 Ca 0.15 -0.84 0.09 0.00 -1.25 0.00 0.00 55.69 53.84 3i6g s MET 189 Cb -0.02 -0.80 -0.06 0.00 2.84 0.00 0.00 34.83 36.79 3i6g s MET 189 CO 0.04 0.19 -0.09 0.95 -0.65 0.00 0.00 175.02 175.45 3i6g s THR 190 N -1.09 2.12 -0.30 10.11 -4.23 -0.45 -4.98 115.64 116.82 3i6g s THR 190 Ca -0.01 -2.19 0.06 0.00 -1.18 0.00 0.00 61.69 58.37 3i6g s THR 190 Cb -0.09 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.34 3i6g s THR 190 CO 0.02 -0.22 0.58 -2.28 -0.54 0.00 0.00 174.62 172.18 3i6g s HIS 191 N -2.69 -1.79 -0.19 3.99 5.04 -1.26 -2.54 115.29 115.85 3i6g s HIS 191 Ca 0.32 0.94 -0.01 0.00 -1.54 0.00 0.00 55.06 54.77 3i6g s HIS 191 Cb 0.03 0.28 0.00 0.00 0.04 0.00 0.00 32.58 32.93 3i6g s HIS 191 CO 0.16 -1.09 -0.12 -1.01 -2.34 0.00 0.00 174.74 170.33 3i6g s HIS 192 N 2.70 2.86 0.33 3.88 3.76 -1.18 -4.98 115.29 122.66 3i6g s HIS 192 Ca 0.11 -1.23 -0.29 0.00 -0.15 0.00 0.00 55.06 53.50 3i6g s HIS 192 Cb -0.10 -2.00 -0.11 0.00 1.11 0.00 0.00 32.58 31.48 3i6g s HIS 192 CO -0.24 -0.64 1.52 0.00 -0.85 0.00 0.00 174.74 174.53 3i6g s ALA 193 N 1.30 3.65 0.00 -1.40 0.00 -1.26 -1.88 121.76 122.17 3i6g s ALA 193 Ca 0.04 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3i6g s ALA 193 Cb -0.14 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3i6g s ALA 193 CO -0.07 -0.99 0.00 1.33 0.00 0.00 0.00 175.76 176.04 3i6g n VAL 194 N 1.36 0.00 -2.86 0.00 0.24 -1.06 -4.86 118.33 111.15 3i6g n VAL 194 Ca 0.04 0.07 -0.21 0.00 -2.04 0.00 0.00 64.34 62.21 3i6g n VAL 194 Cb 0.39 -0.86 0.08 0.00 -1.47 0.00 0.00 33.84 31.98 3i6g n VAL 194 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3i6g s SER 195 N -1.41 4.81 0.31 -1.34 1.04 -1.22 -4.98 113.70 110.91 3i6g s SER 195 Ca 0.00 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.78 3i6g s SER 195 Cb 0.00 0.17 0.55 0.00 0.10 0.00 0.00 66.02 66.84 3i6g s SER 195 CO 0.00 -1.54 1.93 0.44 0.98 0.00 0.00 173.24 175.06 3i6g h ASP 196 N -0.09 0.87 -0.33 7.02 3.32 -2.03 -2.81 116.42 122.36 3i6g h ASP 196 Ca -0.32 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3i6g h ASP 196 Cb 1.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3i6g h ASP 196 CO 0.40 0.58 0.00 1.41 -1.72 0.00 0.00 179.24 179.91 3i6g n HIS 197 N -4.47 0.44 -4.27 4.55 8.25 -1.26 -4.82 115.22 113.64 3i6g n HIS 197 Ca 0.12 -0.36 -0.15 0.00 -0.26 0.00 0.00 57.72 57.07 3i6g n HIS 197 Cb 0.16 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 3i6g n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i6g s GLU 198 N -1.06 1.14 -0.01 -0.41 2.02 -1.06 0.99 118.70 120.31 3i6g s GLU 198 Ca 0.26 -1.53 -0.25 0.00 0.02 0.00 0.00 54.97 53.48 3i6g s GLU 198 Cb 0.15 -0.56 0.05 0.00 0.10 0.00 0.00 34.13 33.87 3i6g s GLU 198 CO 0.20 -0.01 0.55 0.00 0.02 0.00 0.00 175.26 176.02 3i6g s ALA 199 N -3.41 -1.42 -0.19 5.21 0.00 0.21 -2.55 121.76 119.62 3i6g s ALA 199 Ca 0.21 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 52.97 3i6g s ALA 199 Cb 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3i6g s ALA 199 CO 0.03 -0.39 0.09 0.99 0.00 0.00 0.00 175.76 176.48 3i6g s THR 200 N -1.61 5.06 -0.25 0.00 2.01 -0.79 0.28 115.64 120.35 3i6g s THR 200 Ca -0.10 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 3i6g s THR 200 Cb -0.01 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.21 3i6g s THR 200 CO 0.05 0.46 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.67 3i6g s LEU 201 N 0.30 3.23 -0.23 4.42 1.43 0.41 -3.09 118.68 125.16 3i6g s LEU 201 Ca 0.06 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3i6g s LEU 201 Cb -0.12 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3i6g s LEU 201 CO -0.01 -0.09 -0.05 -0.60 0.23 0.00 0.00 176.35 175.84 3i6g s ARG 202 N 1.46 3.17 -0.20 1.70 3.52 -1.05 -0.74 118.95 126.81 3i6g s ARG 202 Ca 0.04 -0.76 -0.19 0.00 -0.13 0.00 0.00 55.73 54.69 3i6g s ARG 202 Cb -0.16 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3i6g s ARG 202 CO -0.02 -0.28 0.54 0.00 -0.81 0.00 0.00 175.30 174.73 3i6g s TRP 204 N 1.66 3.16 -0.13 0.00 0.52 0.29 -1.53 118.94 122.92 3i6g s TRP 204 Ca 0.25 0.10 0.01 0.00 0.02 0.00 0.00 56.10 56.48 3i6g s TRP 204 Cb -0.15 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.32 3i6g s TRP 204 CO 0.10 0.35 -0.14 0.00 0.02 0.00 0.00 176.95 177.28 3i6g s ALA 205 N -0.51 1.70 0.23 0.98 0.00 -0.33 -2.61 121.76 121.22 3i6g s ALA 205 Ca 0.09 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.34 3i6g s ALA 205 Cb -0.12 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 3i6g s ALA 205 CO 0.02 -0.25 -0.09 -0.51 0.00 0.00 0.00 175.76 174.93 3i6g s LEU 206 N 1.30 2.47 -1.28 0.00 1.43 -0.44 -1.38 118.68 120.78 3i6g s LEU 206 Ca -0.00 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 51.96 3i6g s LEU 206 Cb -0.14 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.55 3i6g s LEU 206 CO -0.06 -0.30 0.26 -1.20 0.23 0.00 0.00 176.35 175.27 3i6g n SER 207 N -0.43 -4.42 -4.91 2.29 7.64 -0.95 -0.58 113.62 112.26 3i6g n SER 207 Ca -0.07 -0.09 -0.24 0.00 1.01 0.00 0.00 58.87 59.48 3i6g n SER 207 Cb 0.62 -3.68 -0.03 0.00 -1.01 0.00 0.00 64.21 60.11 3i6g n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3i6g s PHE 208 N -2.85 3.36 -0.25 1.43 -0.12 -1.06 -4.62 117.98 113.88 3i6g s PHE 208 Ca 0.17 0.03 -0.21 0.00 -0.05 0.00 0.00 56.93 56.87 3i6g s PHE 208 Cb -0.09 -1.58 0.07 0.00 -0.63 0.00 0.00 43.02 40.79 3i6g s PHE 208 CO 0.21 0.50 0.66 -0.47 -0.05 0.00 0.00 175.22 176.07 3i6g s TYR 209 N -1.85 -0.79 0.83 3.49 5.04 -0.72 -0.56 117.35 122.79 3i6g s TYR 209 Ca 0.33 1.83 -0.14 0.00 -2.44 0.00 0.00 57.07 56.66 3i6g s TYR 209 Cb -0.10 0.32 0.20 0.00 0.35 0.00 0.00 41.96 42.74 3i6g s TYR 209 CO 0.27 -0.38 0.78 -2.30 -1.34 0.00 0.00 175.55 172.58 3i6g n PRO 210 N 3.07 -2.28 0.21 4.97 -0.02 -1.26 -0.49 135.00 139.20 3i6g n PRO 210 Ca -0.15 -1.24 0.07 0.00 -2.02 0.00 0.00 63.50 60.15 3i6g n PRO 210 Cb 0.56 -1.11 0.47 0.00 -0.02 0.00 0.00 33.50 33.40 3i6g n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i6g h ALA 211 N -2.43 1.25 -2.39 3.55 0.00 -1.95 -3.44 119.26 113.86 3i6g h ALA 211 Ca -0.29 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 3i6g h ALA 211 Cb 0.86 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.63 3i6g h ALA 211 CO 0.19 0.36 1.18 -2.00 0.00 0.00 0.00 179.25 178.97 3i6g s GLU 212 N -4.03 4.15 0.17 0.00 2.56 -1.26 -4.96 118.70 115.32 3i6g s GLU 212 Ca -0.02 2.55 -0.16 0.00 0.00 0.00 0.00 54.97 57.34 3i6g s GLU 212 Cb 0.13 -3.99 0.02 0.00 2.00 0.00 0.00 34.13 32.30 3i6g s GLU 212 CO 0.67 -0.91 0.44 -1.50 -0.56 0.00 0.00 175.26 173.40 3i6g s ILE 213 N 3.94 0.05 -0.13 -3.70 2.07 -1.26 -4.65 121.20 117.52 3i6g s ILE 213 Ca 0.84 -0.81 -0.03 0.00 -1.41 0.00 0.00 60.65 59.25 3i6g s ILE 213 Cb -0.42 -1.47 0.05 0.00 0.13 0.00 0.00 42.46 40.74 3i6g s ILE 213 CO 0.39 -0.22 0.05 -0.89 -1.91 0.00 0.00 174.94 172.36 3i6g s THR 214 N -3.86 0.18 -0.19 4.00 2.01 -0.34 -4.99 115.64 112.44 3i6g s THR 214 Ca 0.08 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 3i6g s THR 214 Cb 0.01 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3i6g s THR 214 CO -0.06 -0.06 0.06 -0.76 -0.69 0.00 0.00 174.62 173.11 3i6g s LEU 215 N 2.03 3.73 -0.00 4.42 1.43 -1.26 -1.18 118.68 127.84 3i6g s LEU 215 Ca 0.02 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3i6g s LEU 215 Cb -0.15 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.13 3i6g s LEU 215 CO -0.07 0.14 -0.02 0.42 0.23 0.00 0.00 176.35 177.06 3i6g s THR 216 N 0.56 0.16 -0.11 5.49 -4.23 -0.47 -4.96 115.64 112.08 3i6g s THR 216 Ca 0.03 -0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 3i6g s THR 216 Cb -0.13 -0.15 -0.05 0.00 1.34 0.00 0.00 72.50 73.51 3i6g s THR 216 CO 0.01 0.06 0.23 0.26 -0.54 0.00 0.00 174.62 174.64 3i6g s TRP 217 N 0.09 3.58 0.00 3.99 0.52 -1.26 0.88 118.94 126.75 3i6g s TRP 217 Ca -0.01 0.63 0.07 0.00 0.02 0.00 0.00 56.10 56.81 3i6g s TRP 217 Cb -0.02 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 30.16 3i6g s TRP 217 CO -0.00 0.57 -0.21 -0.65 0.02 0.00 0.00 176.95 176.68 3i6g s GLN 218 N -0.60 1.62 -0.24 4.98 -0.21 0.11 -3.15 119.66 122.17 3i6g s GLN 218 Ca 0.16 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 3i6g s GLN 218 Cb -0.13 -1.61 0.03 0.00 1.00 0.00 0.00 33.01 32.29 3i6g s GLN 218 CO 0.05 0.44 -0.09 0.50 -2.12 0.00 0.00 175.29 174.07 3i6g s ARG 219 N -0.68 2.82 -1.32 2.91 3.00 0.29 -0.51 118.95 125.48 3i6g s ARG 219 Ca 0.08 -0.97 0.00 0.00 -1.00 0.00 0.00 55.73 53.84 3i6g s ARG 219 Cb -0.08 -2.90 0.00 0.00 0.00 0.00 0.00 34.95 31.96 3i6g s ARG 219 CO -0.00 -0.38 0.00 -0.25 0.00 0.00 0.00 175.30 174.67 3i6g n ASP 220 N 4.64 -4.27 0.00 -2.12 9.92 0.51 -2.02 116.55 123.21 3i6g n ASP 220 Ca -0.17 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 3i6g n ASP 220 Cb 0.47 -3.68 0.00 0.00 -0.64 0.00 0.00 41.12 37.27 3i6g n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i6g n GLY 221 N -0.71 0.44 3.36 0.44 0.00 -1.26 -5.08 105.19 102.38 3i6g n GLY 221 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3i6g n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i6g s GLU 222 N -0.88 1.71 1.28 1.61 -1.05 -0.85 -5.02 118.70 115.50 3i6g s GLU 222 Ca 0.00 -1.17 -0.18 0.00 -0.15 0.00 0.00 54.97 53.47 3i6g s GLU 222 Cb 0.00 -1.97 0.30 0.00 -0.44 0.00 0.00 34.13 32.02 3i6g s GLU 222 CO 0.00 0.50 0.74 -0.25 0.95 0.00 0.00 175.26 177.19 3i6g n ASP 223 N 1.54 -3.02 0.00 0.83 9.92 -1.26 0.11 116.55 124.66 3i6g n ASP 223 Ca -0.17 -0.49 0.00 0.00 -0.53 0.00 0.00 54.79 53.60 3i6g n ASP 223 Cb 0.52 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 3i6g n ASP 223 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i6g n GLN 224 N -4.56 0.11 -1.68 -1.24 1.13 -1.19 -4.53 117.38 105.42 3i6g n GLN 224 Ca 0.07 -0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.90 3i6g n GLN 224 Cb 0.55 -0.24 -0.06 0.00 0.11 0.00 0.00 30.24 30.60 3i6g n GLN 224 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3i6g s THR 225 N -0.02 3.10 -0.18 5.09 -4.23 -1.26 -3.37 115.64 114.77 3i6g s THR 225 Ca 0.00 -0.05 0.13 0.00 -1.18 0.00 0.00 61.69 60.58 3i6g s THR 225 Cb 0.00 -3.24 0.42 0.00 1.34 0.00 0.00 72.50 71.02 3i6g s THR 225 CO 0.00 -0.23 1.21 0.00 -0.54 0.00 0.00 174.62 175.06 3i6g n GLN 226 N 8.89 1.40 -0.49 3.99 0.00 -1.26 -5.02 117.38 124.90 3i6g n GLN 226 Ca 0.42 -3.15 0.07 0.00 0.00 0.00 0.00 57.00 54.34 3i6g n GLN 226 Cb 0.47 -1.42 0.26 0.00 0.00 0.00 0.00 30.24 29.54 3i6g n GLN 226 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3i6g n ASP 227 N -0.92 3.85 -4.36 2.61 10.43 -1.22 -5.03 116.55 121.92 3i6g n ASP 227 Ca 0.18 -3.07 -0.33 0.00 2.57 0.00 0.00 54.79 54.13 3i6g n ASP 227 Cb 0.75 -0.56 -0.15 0.00 1.84 0.00 0.00 41.12 43.00 3i6g n ASP 227 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3i6g s THR 228 N -2.86 2.90 -0.24 -3.53 -1.32 -1.26 -3.82 115.64 105.50 3i6g s THR 228 Ca 0.43 -0.72 -0.09 0.00 -1.21 0.00 0.00 61.69 60.09 3i6g s THR 228 Cb 0.35 -2.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 3i6g s THR 228 CO 0.08 0.54 0.12 -0.70 -2.21 0.00 0.00 174.62 172.46 3i6g s GLU 229 N 0.21 3.90 -0.28 7.08 2.12 -0.50 -4.93 118.70 126.30 3i6g s GLU 229 Ca -0.09 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 3i6g s GLU 229 Cb -0.16 -3.45 0.05 0.00 0.26 0.00 0.00 34.13 30.83 3i6g s GLU 229 CO 0.05 -0.03 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.20 3i6g s LEU 230 N 1.27 3.65 0.61 2.70 1.43 -1.26 -1.26 118.68 125.83 3i6g s LEU 230 Ca 0.06 -1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 51.82 3i6g s LEU 230 Cb -0.14 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3i6g s LEU 230 CO 0.05 -0.22 1.06 0.68 0.23 0.00 0.00 176.35 178.15 3i6g s VAL 231 N 1.25 3.85 0.31 -1.59 -7.23 -1.12 -5.00 120.40 110.86 3i6g s VAL 231 Ca -0.05 0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 60.66 3i6g s VAL 231 Cb -0.19 -3.38 -0.10 0.00 0.56 0.00 0.00 36.38 33.27 3i6g s VAL 231 CO -0.02 -0.57 1.15 -0.70 -0.31 0.00 0.00 175.10 174.65 3i6g s GLU 232 N -4.25 4.51 0.33 4.82 -6.30 -1.26 -4.56 118.70 111.98 3i6g s GLU 232 Ca 0.63 1.90 -0.28 0.00 -2.50 0.00 0.00 54.97 54.71 3i6g s GLU 232 Cb -0.16 -3.10 -0.13 0.00 0.00 0.00 0.00 34.13 30.75 3i6g s GLU 232 CO 0.40 0.06 1.29 2.41 0.02 0.00 0.00 175.26 179.44 3i6g n THR 233 N 0.96 1.88 -4.10 -1.70 -1.04 -1.26 -4.87 114.28 104.14 3i6g n THR 233 Ca -0.00 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.05 61.39 3i6g n THR 233 Cb 0.44 -1.53 -0.13 0.00 -1.82 0.00 0.00 70.33 67.29 3i6g n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i6g s ARG 234 N -1.69 0.41 0.21 -2.82 1.70 -0.32 -4.97 118.95 111.47 3i6g s ARG 234 Ca 0.57 -0.33 -0.30 0.00 -0.47 0.00 0.00 55.73 55.20 3i6g s ARG 234 Cb -0.58 -0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 33.38 3i6g s ARG 234 CO 0.61 0.08 1.28 -1.25 -1.08 0.00 0.00 175.30 174.93 3i6g s PRO 235 N -0.54 4.42 0.18 3.89 0.04 -1.26 -0.96 135.00 140.77 3i6g s PRO 235 Ca -0.02 2.02 0.13 0.00 0.04 0.00 0.00 61.00 63.17 3i6g s PRO 235 Cb -0.04 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 3i6g s PRO 235 CO -0.00 -0.20 1.25 0.00 0.04 0.00 0.00 177.00 178.09 3i6g h ALA 236 N 5.16 0.59 0.00 8.56 0.00 -1.39 -3.47 119.26 128.72 3i6g h ALA 236 Ca -0.45 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.76 3i6g h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i6g h ALA 236 CO 0.75 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.31 3i6g n GLY 237 N 1.31 0.72 0.39 0.00 0.00 -1.26 -4.95 105.19 101.40 3i6g n GLY 237 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3i6g n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i6g n ASP 238 N 0.00 2.78 0.00 1.61 5.75 -1.26 -4.93 116.55 120.50 3i6g n ASP 238 Ca 0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 3i6g n ASP 238 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 3i6g n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i6g n GLY 239 N -0.51 0.59 3.73 6.12 0.00 -1.26 -5.07 105.19 108.78 3i6g n GLY 239 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3i6g n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6g s THR 240 N -2.34 2.65 0.31 2.61 -4.23 -1.26 -4.82 115.64 108.56 3i6g s THR 240 Ca 0.00 -1.71 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 3i6g s THR 240 Cb 0.00 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.82 3i6g s THR 240 CO 0.00 -0.10 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.58 3i6g s PHE 241 N -2.51 2.07 0.03 3.99 0.08 0.28 -0.99 117.98 120.93 3i6g s PHE 241 Ca 0.39 -0.72 -0.00 0.00 0.12 0.00 0.00 56.93 56.73 3i6g s PHE 241 Cb 0.00 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3i6g s PHE 241 CO 0.22 0.29 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.95 3i6g s GLN 242 N -3.74 0.41 0.11 0.44 -0.21 -0.13 -2.24 119.66 114.30 3i6g s GLN 242 Ca 0.32 -0.78 -0.23 0.00 0.02 0.00 0.00 55.36 54.69 3i6g s GLN 242 Cb 0.05 0.09 0.06 0.00 1.00 0.00 0.00 33.01 34.22 3i6g s GLN 242 CO 0.14 -0.06 0.57 0.21 -2.12 0.00 0.00 175.29 174.03 3i6g s LYS 243 N -2.09 1.18 0.07 2.91 2.20 -0.48 -1.18 119.74 122.35 3i6g s LYS 243 Ca -0.10 -0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 3i6g s LYS 243 Cb -0.05 0.54 -0.00 0.00 -1.51 0.00 0.00 37.83 36.80 3i6g s LYS 243 CO -0.03 -0.48 0.17 1.67 -0.36 0.00 0.00 175.35 176.32 3i6g s TRP 244 N -3.20 0.15 -0.06 4.03 1.48 -1.26 -1.19 118.94 118.89 3i6g s TRP 244 Ca -0.01 -0.53 -0.01 0.00 -1.06 0.00 0.00 56.10 54.49 3i6g s TRP 244 Cb -0.00 -0.08 0.03 0.00 -1.16 0.00 0.00 33.47 32.25 3i6g s TRP 244 CO -0.08 -0.49 -0.00 0.00 -4.06 0.00 0.00 176.95 172.32 3i6g s ALA 245 N -3.45 0.63 0.27 2.67 0.00 -0.58 -2.80 121.76 118.49 3i6g s ALA 245 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.01 3i6g s ALA 245 Cb 0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3i6g s ALA 245 CO -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 175.76 175.30 3i6g s ALA 246 N 1.74 3.14 -0.08 0.00 0.00 -0.39 -0.24 121.76 125.92 3i6g s ALA 246 Ca 0.01 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.18 3i6g s ALA 246 Cb -0.13 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.29 3i6g s ALA 246 CO -0.04 0.26 0.30 0.54 0.00 0.00 0.00 175.76 176.82 3i6g s VAL 247 N -2.34 0.02 -0.22 0.00 0.11 0.08 -1.41 120.40 116.65 3i6g s VAL 247 Ca 0.31 -0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 3i6g s VAL 247 Cb -0.06 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 3i6g s VAL 247 CO 0.20 -0.09 0.33 -0.69 -3.33 0.00 0.00 175.10 171.52 3i6g s VAL 248 N -0.30 5.24 0.04 2.04 1.01 -1.25 -0.44 120.40 126.75 3i6g s VAL 248 Ca -0.04 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.56 3i6g s VAL 248 Cb -0.03 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3i6g s VAL 248 CO 0.01 0.27 -0.20 0.68 0.00 0.00 0.00 175.10 175.87 3i6g s VAL 249 N 1.27 1.58 0.10 2.92 -7.23 0.14 -4.92 120.40 114.26 3i6g s VAL 249 Ca 0.16 -1.17 -0.36 0.00 -1.81 0.00 0.00 61.98 58.80 3i6g s VAL 249 Cb -0.14 -1.38 -0.16 0.00 0.56 0.00 0.00 36.38 35.26 3i6g s VAL 249 CO 0.07 0.17 1.42 -2.65 -0.31 0.00 0.00 175.10 173.80 3i6g n PRO 250 N 1.86 1.44 -1.55 4.82 -0.02 -1.26 -0.62 135.00 139.66 3i6g n PRO 250 Ca -0.17 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.46 3i6g n PRO 250 Cb 0.54 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3i6g n PRO 250 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i6g n SER 251 N 2.87 2.40 0.00 2.55 2.88 0.28 -2.06 113.62 122.54 3i6g n SER 251 Ca 0.18 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 3i6g n SER 251 Cb 0.22 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 3i6g n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i6g n GLY 252 N 5.99 0.25 0.58 0.46 0.00 -1.26 -4.88 105.19 106.33 3i6g n GLY 252 Ca 0.37 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.45 3i6g n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i6g n GLN 253 N 0.00 1.36 0.10 1.61 6.02 -0.87 -4.77 117.38 120.83 3i6g n GLN 253 Ca 0.00 -3.01 0.17 0.00 -0.01 0.00 0.00 57.00 54.15 3i6g n GLN 253 Cb 0.00 -1.43 0.71 0.00 1.02 0.00 0.00 30.24 30.54 3i6g n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3i6g h GLU 254 N 0.80 0.00 0.00 -1.09 3.07 -1.94 -0.65 114.58 114.76 3i6g h GLU 254 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3i6g h GLU 254 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 3i6g h GLU 254 CO 0.01 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.62 3i6g n GLN 255 N -4.27 0.07 0.00 2.33 0.00 -1.26 -3.08 117.38 111.16 3i6g n GLN 255 Ca 0.05 0.01 0.13 0.00 0.00 0.00 0.00 57.00 57.20 3i6g n GLN 255 Cb 0.44 -1.50 0.42 0.00 0.00 0.00 0.00 30.24 29.60 3i6g n GLN 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3i6g n ARG 256 N -1.46 1.42 -4.62 2.61 1.74 -0.25 -4.87 116.66 111.22 3i6g n ARG 256 Ca 0.08 -0.88 -0.34 0.00 -0.77 0.00 0.00 57.85 55.95 3i6g n ARG 256 Cb 0.32 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.15 3i6g n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i6g s TYR 257 N -2.19 2.92 -0.05 -1.55 1.51 -1.18 -0.36 117.35 116.45 3i6g s TYR 257 Ca 0.32 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 56.23 3i6g s TYR 257 Cb 0.20 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 3i6g s TYR 257 CO 0.40 0.14 -0.14 0.95 -1.11 0.00 0.00 175.55 175.79 3i6g s THR 258 N -0.32 1.25 -0.11 -0.71 -4.23 0.34 -4.54 115.64 107.32 3i6g s THR 258 Ca 0.04 -0.59 -0.16 0.00 -1.18 0.00 0.00 61.69 59.80 3i6g s THR 258 Cb -0.13 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 3i6g s THR 258 CO 0.02 0.37 0.42 0.00 -0.54 0.00 0.00 174.62 174.89 3i6g s HIS 260 N 0.26 2.92 -0.19 0.00 3.76 0.25 -0.89 115.29 121.41 3i6g s HIS 260 Ca 0.23 -0.79 -0.03 0.00 -0.15 0.00 0.00 55.06 54.32 3i6g s HIS 260 Cb -0.15 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 3i6g s HIS 260 CO 0.09 -0.39 -0.07 0.08 -0.85 0.00 0.00 174.74 173.60 3i6g s VAL 261 N 1.01 3.33 -0.16 -0.90 1.01 -0.07 -1.37 120.40 123.24 3i6g s VAL 261 Ca -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3i6g s VAL 261 Cb -0.15 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3i6g s VAL 261 CO -0.00 0.46 -0.19 -1.10 0.00 0.00 0.00 175.10 174.27 3i6g s GLN 262 N 1.06 2.83 -0.07 2.72 -0.21 -0.32 -1.48 119.66 124.19 3i6g s GLN 262 Ca 0.01 -0.77 -0.17 0.00 0.02 0.00 0.00 55.36 54.44 3i6g s GLN 262 Cb -0.15 -2.43 0.04 0.00 1.00 0.00 0.00 33.01 31.47 3i6g s GLN 262 CO -0.01 -0.18 0.41 -1.58 -2.12 0.00 0.00 175.29 171.81 3i6g s HIS 263 N 1.24 -0.35 -1.25 0.91 2.46 -1.26 -1.20 115.29 115.84 3i6g s HIS 263 Ca 0.03 0.70 0.17 0.00 0.47 0.00 0.00 55.06 56.42 3i6g s HIS 263 Cb -0.13 0.17 0.81 0.00 -0.13 0.00 0.00 32.58 33.29 3i6g s HIS 263 CO -0.10 -0.37 1.52 -0.85 -2.47 0.00 0.00 174.74 172.47 3i6g n GLU 264 N 1.74 0.14 0.00 2.88 0.28 -1.26 -1.09 120.64 123.34 3i6g n GLU 264 Ca -0.18 0.16 0.12 0.00 -0.16 0.00 0.00 57.16 57.10 3i6g n GLU 264 Cb 0.56 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.23 3i6g n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i6g n GLY 265 N 0.21 -1.11 3.61 -1.84 0.00 -1.26 -4.80 105.19 99.99 3i6g n GLY 265 Ca 0.06 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3i6g n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6g s LEU 266 N -2.88 4.04 0.21 0.99 1.43 -0.25 -4.49 118.68 117.74 3i6g s LEU 266 Ca 0.14 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.25 3i6g s LEU 266 Cb 0.18 -2.20 0.26 0.00 0.03 0.00 0.00 46.19 44.46 3i6g s LEU 266 CO 0.65 -0.06 1.79 1.55 0.23 0.00 0.00 176.35 180.51 3i6g h PRO 267 N 8.17 0.61 -4.38 1.29 0.13 -1.87 -3.42 132.00 132.54 3i6g h PRO 267 Ca -0.35 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.42 3i6g h PRO 267 Cb 1.18 -0.14 -0.28 0.00 0.13 0.00 0.00 31.00 31.90 3i6g h PRO 267 CO 0.59 0.40 -0.75 -1.59 -0.23 0.00 0.00 178.00 176.42 3i6g s LYS 268 N -6.09 0.47 0.27 0.86 0.00 -1.26 -5.13 119.74 108.86 3i6g s LYS 268 Ca -0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 55.97 55.29 3i6g s LYS 268 Cb 0.16 -0.43 -0.14 0.00 0.00 0.00 0.00 37.83 37.43 3i6g s LYS 268 CO 0.76 0.11 1.12 -2.30 0.00 0.00 0.00 175.35 175.05 3i6g n PRO 269 N 2.78 1.53 -3.38 1.78 -0.02 -1.26 -4.96 135.00 131.47 3i6g n PRO 269 Ca -0.14 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 3i6g n PRO 269 Cb 0.58 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 3i6g n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i6g s LEU 270 N 0.20 4.49 -0.18 2.45 1.43 -0.55 -4.89 118.68 121.64 3i6g s LEU 270 Ca 0.61 1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 54.82 3i6g s LEU 270 Cb -0.70 -2.81 -0.00 0.00 0.03 0.00 0.00 46.19 42.71 3i6g s LEU 270 CO 0.58 0.28 -0.12 -0.89 0.23 0.00 0.00 176.35 176.42 3i6g s THR 271 N -1.14 2.83 0.20 5.49 2.01 -1.26 -0.90 115.64 122.87 3i6g s THR 271 Ca 0.28 -0.70 0.11 0.00 0.31 0.00 0.00 61.69 61.69 3i6g s THR 271 Cb -0.18 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3i6g s THR 271 CO 0.17 0.49 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.61 3i6g s LEU 272 N 1.07 2.46 0.02 4.42 1.43 -0.07 -4.95 118.68 123.06 3i6g s LEU 272 Ca -0.00 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.14 3i6g s LEU 272 Cb -0.15 -1.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 3i6g s LEU 272 CO -0.03 0.07 0.12 0.00 0.23 0.00 0.00 176.35 176.74 3i6g s ARG 273 N -2.85 0.52 0.41 1.70 1.70 -1.26 -1.54 118.95 117.62 3i6g s ARG 273 Ca 0.21 -0.52 -0.25 0.00 -0.47 0.00 0.00 55.73 54.71 3i6g s ARG 273 Cb -0.07 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 3i6g s ARG 273 CO 0.10 -0.13 1.18 -0.46 -1.08 0.00 0.00 175.30 174.92 3i6g s TRP 274 N -1.77 3.02 0.00 5.89 -0.11 -1.26 -5.05 118.94 119.65 3i6g s TRP 274 Ca -0.12 1.54 0.00 0.00 1.22 0.00 0.00 56.10 58.74 3i6g s TRP 274 Cb -0.06 -3.42 0.00 0.00 -1.50 0.00 0.00 33.47 28.49 3i6g s TRP 274 CO -0.00 -1.42 0.00 -0.85 -4.62 0.00 0.00 176.95 170.06