#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7b s SER 2 N 0.00 6.25 0.05 1.61 0.01 -1.26 -3.83 113.70 116.53 3h7b s SER 2 Ca 0.00 1.18 -0.01 0.00 1.31 0.00 0.00 55.95 58.43 3h7b s SER 2 Cb 0.00 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 3h7b s SER 2 CO 0.00 -0.72 -0.03 -1.00 0.41 0.00 0.00 173.24 171.90 3h7b s HIS 3 N -2.95 0.49 0.01 2.43 3.76 -0.82 -4.96 115.29 113.25 3h7b s HIS 3 Ca 0.51 -1.02 -0.04 0.00 -0.15 0.00 0.00 55.06 54.36 3h7b s HIS 3 Cb -0.11 -0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.21 3h7b s HIS 3 CO 0.49 -0.37 0.07 -1.54 -0.85 0.00 0.00 174.74 172.54 3h7b s SER 4 N -2.80 0.13 -0.07 1.40 1.04 -1.26 -0.19 113.70 111.96 3h7b s SER 4 Ca 0.05 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.16 3h7b s SER 4 Cb 0.06 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 3h7b s SER 4 CO -0.09 -0.36 -0.20 -0.32 0.98 0.00 0.00 173.24 173.25 3h7b s MET 5 N -1.57 2.27 -0.07 4.02 0.00 -0.06 -0.81 119.30 123.08 3h7b s MET 5 Ca -0.14 -0.70 -0.06 0.00 0.00 0.00 0.00 55.69 54.78 3h7b s MET 5 Cb -0.08 -1.85 0.02 0.00 0.00 0.00 0.00 34.83 32.92 3h7b s MET 5 CO -0.00 0.21 0.18 1.03 0.00 0.00 0.00 175.02 176.44 3h7b s ARG 6 N 0.21 0.23 -0.08 4.11 0.52 -0.39 -1.53 118.95 122.02 3h7b s ARG 6 Ca -0.10 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 3h7b s ARG 6 Cb -0.15 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.41 3h7b s ARG 6 CO 0.05 -0.03 -0.15 0.71 0.02 0.00 0.00 175.30 175.90 3h7b s TYR 7 N 0.05 2.72 -0.04 -0.53 2.02 0.07 -1.11 117.35 120.52 3h7b s TYR 7 Ca -0.00 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3h7b s TYR 7 Cb -0.01 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.84 3h7b s TYR 7 CO 0.00 0.02 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.77 3h7b s PHE 8 N -0.32 1.73 -0.03 2.71 0.40 -0.22 -2.16 117.98 120.10 3h7b s PHE 8 Ca 0.03 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3h7b s PHE 8 Cb -0.13 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.25 3h7b s PHE 8 CO 0.03 -0.16 -0.07 -0.06 0.70 0.00 0.00 175.22 175.66 3h7b s PHE 9 N 0.01 0.81 -0.07 0.36 0.08 0.04 -1.08 117.98 118.12 3h7b s PHE 9 Ca -0.03 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.82 3h7b s PHE 9 Cb -0.11 -0.63 0.02 0.00 -0.57 0.00 0.00 43.02 41.72 3h7b s PHE 9 CO 0.02 -0.13 -0.08 0.99 -0.10 0.00 0.00 175.22 175.91 3h7b s THR 10 N 0.47 0.92 -0.07 0.64 2.01 -0.23 -1.69 115.64 117.69 3h7b s THR 10 Ca -0.07 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.67 3h7b s THR 10 Cb -0.11 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 3h7b s THR 10 CO 0.00 0.32 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.49 3h7b s SER 11 N 1.09 3.31 -0.14 3.53 0.15 -0.12 -1.40 113.70 120.10 3h7b s SER 11 Ca -0.07 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.12 3h7b s SER 11 Cb -0.14 -1.04 0.03 0.00 -1.71 0.00 0.00 66.02 63.15 3h7b s SER 11 CO -0.01 0.23 -0.11 -0.69 1.20 0.00 0.00 173.24 173.86 3h7b s VAL 12 N -0.07 1.35 0.37 4.45 1.01 -0.32 -1.16 120.40 126.03 3h7b s VAL 12 Ca -0.06 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 3h7b s VAL 12 Cb -0.14 -1.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 3h7b s VAL 12 CO 0.04 0.38 1.13 -0.94 0.00 0.00 0.00 175.10 175.71 3h7b s SER 13 N 1.57 6.77 -0.52 3.32 1.04 -0.72 -0.89 113.70 124.27 3h7b s SER 13 Ca 0.04 2.26 0.06 0.00 0.48 0.00 0.00 55.95 58.79 3h7b s SER 13 Cb -0.13 -2.61 0.22 0.00 0.10 0.00 0.00 66.02 63.60 3h7b s SER 13 CO -0.09 -0.50 0.55 0.54 0.98 0.00 0.00 173.24 174.72 3h7b n ARG 14 N 0.32 1.31 -1.68 4.02 1.74 -1.26 -4.18 116.66 116.93 3h7b n ARG 14 Ca 0.03 -3.83 -0.45 0.00 -0.77 0.00 0.00 57.85 52.83 3h7b n ARG 14 Cb 0.47 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3h7b n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3h7b n PRO 15 N 1.61 2.45 -0.59 5.56 -0.02 -1.26 -0.70 135.00 142.05 3h7b n PRO 15 Ca 0.25 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3h7b n PRO 15 Cb 0.46 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3h7b n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h7b n GLY 16 N 4.08 1.36 1.55 -1.23 0.00 -1.26 -4.85 105.19 104.84 3h7b n GLY 16 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 3h7b n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7b n ARG 17 N -2.00 1.90 0.00 1.61 1.74 0.13 -5.11 116.66 114.92 3h7b n ARG 17 Ca 0.00 -3.34 0.00 0.00 -0.77 0.00 0.00 57.85 53.74 3h7b n ARG 17 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3h7b n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h7b n GLY 18 N -0.60 0.00 3.75 -0.13 0.00 -1.23 -4.93 105.19 102.05 3h7b n GLY 18 Ca 0.22 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 3h7b n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h7b s GLU 19 N 0.00 3.11 0.43 1.61 0.41 -1.26 -4.50 118.70 118.50 3h7b s GLU 19 Ca 0.00 2.14 -0.24 0.00 -0.41 0.00 0.00 54.97 56.46 3h7b s GLU 19 Cb 0.00 -2.19 -0.10 0.00 -1.78 0.00 0.00 34.13 30.06 3h7b s GLU 19 CO 0.00 -1.18 1.03 -2.30 -0.49 0.00 0.00 175.26 172.32 3h7b n PRO 20 N -1.13 1.38 -2.68 0.39 -0.02 -1.26 -4.58 135.00 127.09 3h7b n PRO 20 Ca 0.11 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 3h7b n PRO 20 Cb 0.46 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 3h7b n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3h7b s ARG 21 N -2.07 4.64 -0.05 -0.52 6.06 -0.07 -4.88 118.95 122.06 3h7b s ARG 21 Ca 0.64 1.49 0.02 0.00 -2.50 0.00 0.00 55.73 55.37 3h7b s ARG 21 Cb -0.54 -3.39 0.02 0.00 0.06 0.00 0.00 34.95 31.10 3h7b s ARG 21 CO 0.56 0.11 -0.08 0.12 -2.50 0.00 0.00 175.30 173.51 3h7b s PHE 22 N 0.28 1.03 -0.04 5.12 5.36 -1.26 -1.17 117.98 127.31 3h7b s PHE 22 Ca 0.49 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3h7b s PHE 22 Cb -0.24 -0.81 0.02 0.00 -0.34 0.00 0.00 43.02 41.65 3h7b s PHE 22 CO 0.30 -0.21 -0.04 0.42 -1.46 0.00 0.00 175.22 174.23 3h7b s ILE 23 N 0.73 0.47 -0.01 3.12 -1.09 -0.50 -0.92 121.20 123.01 3h7b s ILE 23 Ca -0.12 -0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.24 3h7b s ILE 23 Cb -0.14 -0.49 -0.01 0.00 -1.58 0.00 0.00 42.46 40.23 3h7b s ILE 23 CO 0.02 0.20 -0.17 0.00 -1.23 0.00 0.00 174.94 173.76 3h7b s ALA 24 N 0.75 1.38 0.01 9.38 0.00 -0.50 -1.07 121.76 131.72 3h7b s ALA 24 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3h7b s ALA 24 Cb -0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3h7b s ALA 24 CO -0.00 0.34 -0.01 0.14 0.00 0.00 0.00 175.76 176.22 3h7b s VAL 25 N -0.41 0.06 -0.02 0.00 -7.23 -0.24 -1.27 120.40 111.29 3h7b s VAL 25 Ca 0.06 -0.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 3h7b s VAL 25 Cb -0.06 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.73 3h7b s VAL 25 CO -0.01 -0.20 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.52 3h7b s GLY 26 N -0.60 1.34 0.05 2.32 0.00 -0.81 -1.05 107.32 108.57 3h7b s GLY 26 Ca -0.06 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 43.62 3h7b s GLY 26 CO -0.00 -0.90 -0.17 -0.19 0.00 0.00 0.00 173.10 171.84 3h7b s TYR 27 N -0.65 1.45 -0.23 1.90 1.51 -0.26 -0.70 117.35 120.37 3h7b s TYR 27 Ca 0.10 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 3h7b s TYR 27 Cb -0.10 -0.85 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 3h7b s TYR 27 CO -0.00 0.07 -0.09 0.08 -1.11 0.00 0.00 175.55 174.50 3h7b s VAL 28 N -0.89 2.81 0.00 0.71 1.01 -0.65 -1.26 120.40 122.12 3h7b s VAL 28 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3h7b s VAL 28 Cb -0.08 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3h7b s VAL 28 CO 0.02 0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.91 3h7b n ASP 29 N 4.69 0.00 -2.01 3.32 8.00 0.01 -1.44 116.55 129.10 3h7b n ASP 29 Ca -0.18 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.27 3h7b n ASP 29 Cb 0.48 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.90 3h7b n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h7b n ASP 30 N 5.42 4.91 -4.13 -2.24 8.00 -1.26 -4.89 116.55 122.36 3h7b n ASP 30 Ca 0.00 -3.22 -0.33 0.00 0.71 0.00 0.00 54.79 51.95 3h7b n ASP 30 Cb 0.00 -0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 40.20 3h7b n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h7b s THR 31 N -2.99 2.43 0.26 -3.53 2.01 -0.52 -5.04 115.64 108.25 3h7b s THR 31 Ca 0.55 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 3h7b s THR 31 Cb 0.44 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 70.59 3h7b s THR 31 CO 0.14 0.17 1.21 -1.58 -0.69 0.00 0.00 174.62 173.86 3h7b s GLN 32 N 1.23 4.50 0.00 4.92 0.74 -1.26 -1.64 119.66 128.14 3h7b s GLN 32 Ca -0.03 1.96 0.00 0.00 0.05 0.00 0.00 55.36 57.35 3h7b s GLN 32 Cb -0.17 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.77 3h7b s GLN 32 CO -0.06 -0.03 0.00 1.97 -0.55 0.00 0.00 175.29 176.62 3h7b n PHE 33 N 1.61 0.00 -4.03 1.67 -1.74 0.12 -4.05 117.46 111.05 3h7b n PHE 33 Ca 0.02 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.83 3h7b n PHE 33 Cb 0.44 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.34 3h7b n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3h7b s VAL 34 N -1.43 0.20 0.05 1.97 -7.23 -1.21 -0.11 120.40 112.64 3h7b s VAL 34 Ca 0.00 -1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 58.38 3h7b s VAL 34 Cb 0.00 -1.43 0.03 0.00 0.56 0.00 0.00 36.38 35.55 3h7b s VAL 34 CO 0.00 -0.90 0.38 0.00 -0.31 0.00 0.00 175.10 174.27 3h7b s ARG 35 N -3.80 0.90 -0.00 4.82 1.70 0.03 -1.93 118.95 120.68 3h7b s ARG 35 Ca 0.06 -0.46 0.02 0.00 -0.47 0.00 0.00 55.73 54.88 3h7b s ARG 35 Cb 0.07 0.40 -0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3h7b s ARG 35 CO -0.10 -0.31 -0.05 0.12 -1.08 0.00 0.00 175.30 173.88 3h7b s PHE 36 N -2.68 0.49 -0.06 5.89 5.36 -0.39 -0.83 117.98 125.76 3h7b s PHE 36 Ca -0.04 -0.09 -0.02 0.00 -0.96 0.00 0.00 56.93 55.82 3h7b s PHE 36 Cb -0.00 -0.32 0.03 0.00 -0.34 0.00 0.00 43.02 42.39 3h7b s PHE 36 CO -0.04 -0.01 0.03 0.34 -1.46 0.00 0.00 175.22 174.08 3h7b s ASP 37 N -0.10 1.38 0.63 6.13 2.15 -1.26 -1.40 116.67 124.19 3h7b s ASP 37 Ca 0.02 -0.02 0.36 0.00 0.43 0.00 0.00 52.55 53.34 3h7b s ASP 37 Cb -0.02 -0.28 2.07 0.00 -0.30 0.00 0.00 42.92 44.38 3h7b s ASP 37 CO -0.00 -0.23 2.27 0.77 -0.17 0.00 0.00 175.17 177.81 3h7b h SER 38 N 8.39 0.00 0.21 -0.34 4.64 -1.42 0.23 113.55 125.26 3h7b h SER 38 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3h7b h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3h7b h SER 38 CO 0.20 0.00 -0.34 0.47 -0.87 0.00 0.00 176.83 176.29 3h7b n ASP 39 N -3.45 1.16 -4.86 4.97 9.92 -1.26 -4.92 116.55 118.12 3h7b n ASP 39 Ca -0.02 -0.95 -0.31 0.00 -0.53 0.00 0.00 54.79 52.97 3h7b n ASP 39 Cb 0.12 0.23 0.02 0.00 -0.64 0.00 0.00 41.12 40.85 3h7b n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h7b s ALA 40 N -2.55 3.01 -0.17 2.24 0.00 0.07 -4.97 121.76 119.37 3h7b s ALA 40 Ca 0.22 -0.05 0.16 0.00 0.00 0.00 0.00 51.96 52.29 3h7b s ALA 40 Cb 0.19 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 20.28 3h7b s ALA 40 CO 0.55 -0.80 1.43 0.00 0.00 0.00 0.00 175.76 176.94 3h7b h ALA 41 N -0.39 0.69 -0.43 0.00 0.00 -1.91 -3.34 119.26 113.88 3h7b h ALA 41 Ca -0.44 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 53.88 3h7b h ALA 41 Cb 1.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3h7b h ALA 41 CO 0.61 0.60 -0.30 0.66 0.00 0.00 0.00 179.25 180.81 3h7b h SER 42 N 0.00 1.01 -5.20 0.00 4.64 -1.93 -3.47 113.55 108.60 3h7b h SER 42 Ca -0.01 -0.42 -0.37 0.00 -0.47 0.00 0.00 61.79 60.52 3h7b h SER 42 Cb 1.37 -0.28 0.12 0.00 -0.31 0.00 0.00 62.40 63.29 3h7b h SER 42 CO 0.06 1.22 -0.61 0.00 -0.87 0.00 0.00 176.83 176.63 3h7b n GLN 43 N -4.08 -6.82 -4.07 4.77 1.13 -1.26 -5.00 117.38 102.04 3h7b n GLN 43 Ca -0.01 0.77 -0.13 0.00 -1.94 0.00 0.00 57.00 55.68 3h7b n GLN 43 Cb 0.50 -5.58 -0.11 0.00 0.11 0.00 0.00 30.24 25.16 3h7b n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h7b s ARG 44 N -6.10 0.55 0.25 -1.09 1.81 -1.26 -5.01 118.95 108.10 3h7b s ARG 44 Ca 0.49 -0.77 -0.30 0.00 -1.72 0.00 0.00 55.73 53.43 3h7b s ARG 44 Cb -0.22 -0.34 -0.10 0.00 -0.45 0.00 0.00 34.95 33.84 3h7b s ARG 44 CO 0.61 0.06 1.50 1.41 -0.68 0.00 0.00 175.30 178.20 3h7b s MET 45 N -1.59 4.22 0.00 3.54 -2.45 -1.26 -4.68 119.30 117.08 3h7b s MET 45 Ca -0.09 2.38 0.06 0.00 -1.25 0.00 0.00 55.69 56.79 3h7b s MET 45 Cb -0.10 -3.10 -0.02 0.00 1.25 0.00 0.00 34.83 32.87 3h7b s MET 45 CO 0.01 -0.50 -0.20 -1.21 1.05 0.00 0.00 175.02 174.16 3h7b s GLU 46 N -0.15 1.54 0.36 4.11 2.02 -0.01 -4.89 118.70 121.68 3h7b s GLU 46 Ca 0.62 -0.77 -0.26 0.00 0.02 0.00 0.00 54.97 54.58 3h7b s GLU 46 Cb -0.44 -1.53 -0.09 0.00 0.10 0.00 0.00 34.13 32.17 3h7b s GLU 46 CO 0.42 0.41 1.12 -1.25 0.02 0.00 0.00 175.26 175.98 3h7b s PRO 47 N -0.67 4.26 -0.00 0.39 0.04 -1.26 -0.79 135.00 136.96 3h7b s PRO 47 Ca 0.07 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.86 3h7b s PRO 47 Cb -0.08 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.68 3h7b s PRO 47 CO -0.00 -0.11 0.70 0.54 0.04 0.00 0.00 177.00 178.16 3h7b n ARG 48 N 0.36 0.91 -4.06 4.56 5.12 0.85 -4.87 116.66 119.52 3h7b n ARG 48 Ca 0.03 -0.88 -0.14 0.00 -1.93 0.00 0.00 57.85 54.92 3h7b n ARG 48 Cb 0.47 -0.67 -0.14 0.00 -1.16 0.00 0.00 32.46 30.96 3h7b n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h7b s ALA 49 N -0.38 0.32 0.39 7.54 0.00 -1.22 -4.61 121.76 123.81 3h7b s ALA 49 Ca 0.01 -0.26 0.27 0.00 0.00 0.00 0.00 51.96 51.99 3h7b s ALA 49 Cb 0.01 -0.05 1.42 0.00 0.00 0.00 0.00 23.12 24.51 3h7b s ALA 49 CO 0.00 0.05 2.06 -1.35 0.00 0.00 0.00 175.76 176.51 3h7b h PRO 50 N 5.77 0.00 0.00 0.00 0.11 -1.94 -2.95 132.00 132.99 3h7b h PRO 50 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3h7b h PRO 50 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h7b h PRO 50 CO 0.49 0.12 0.00 -2.67 -0.21 0.00 0.00 178.00 175.73 3h7b n TRP 51 N -3.60 0.81 0.63 0.65 4.27 -1.26 -2.69 117.44 116.24 3h7b n TRP 51 Ca -0.02 0.25 0.12 0.00 -3.89 0.00 0.00 57.50 53.96 3h7b n TRP 51 Cb 0.25 -0.90 0.10 0.00 -1.36 0.00 0.00 31.31 29.40 3h7b n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3h7b n ILE 52 N -2.17 0.21 0.10 -1.67 0.13 -1.12 -4.51 119.36 110.33 3h7b n ILE 52 Ca 0.05 -0.22 0.11 0.00 -1.10 0.00 0.00 62.75 61.59 3h7b n ILE 52 Cb 0.39 0.11 0.59 0.00 -0.84 0.00 0.00 39.64 39.89 3h7b n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3h7b h GLU 53 N 0.00 0.16 -0.87 9.51 5.08 -1.55 -2.29 114.58 124.62 3h7b h GLU 53 Ca 0.00 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 3h7b h GLU 53 Cb 0.70 -0.04 -0.19 0.00 0.50 0.00 0.00 28.75 29.72 3h7b h GLU 53 CO 0.00 0.11 0.41 1.04 -1.00 0.00 0.00 179.01 179.56 3h7b n GLN 54 N -4.48 2.98 0.20 2.33 1.13 -1.26 -4.53 117.38 113.76 3h7b n GLN 54 Ca 0.03 -2.83 0.05 0.00 -1.94 0.00 0.00 57.00 52.31 3h7b n GLN 54 Cb 0.24 -2.13 0.44 0.00 0.11 0.00 0.00 30.24 28.90 3h7b n GLN 54 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3h7b h GLU 55 N 1.86 0.00 0.00 -1.09 4.39 -1.72 -3.49 114.58 114.53 3h7b h GLU 55 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 3h7b h GLU 55 Cb 2.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.10 3h7b h GLU 55 CO 0.84 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 179.40 3h7b n GLY 56 N -0.47 1.40 0.22 -3.84 0.00 -1.26 -4.56 105.19 96.68 3h7b n GLY 56 Ca -0.02 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.25 3h7b n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h7b h PRO 57 N 0.00 0.12 -0.42 1.61 0.13 -1.97 -2.61 132.00 128.85 3h7b h PRO 57 Ca 0.00 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3h7b h PRO 57 Cb 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 3h7b h PRO 57 CO 0.00 0.32 0.25 1.49 -0.23 0.00 0.00 178.00 179.83 3h7b h GLU 58 N 0.11 0.58 -0.13 0.86 4.57 -1.99 0.77 114.58 119.35 3h7b h GLU 58 Ca 0.02 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3h7b h GLU 58 Cb 0.43 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 3h7b h GLU 58 CO 0.03 0.44 -0.15 -0.92 -1.18 0.00 0.00 179.01 177.23 3h7b h TYR 59 N 0.56 -0.38 -0.20 0.92 3.20 -1.71 -1.40 116.97 117.95 3h7b h TYR 59 Ca 0.15 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.90 3h7b h TYR 59 Cb 0.01 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3h7b h TYR 59 CO -0.03 -0.22 -0.47 -1.49 -1.64 0.00 0.00 178.16 174.31 3h7b h TRP 60 N -0.18 0.64 -0.42 -3.82 4.06 -1.25 -0.89 115.95 114.09 3h7b h TRP 60 Ca 0.09 -0.20 -0.08 0.00 2.06 0.00 0.00 58.89 60.76 3h7b h TRP 60 Cb 0.32 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 3h7b h TRP 60 CO -0.27 0.90 -0.04 -0.44 -3.56 0.00 0.00 178.44 175.03 3h7b h ASP 61 N 0.42 0.76 -0.51 -3.49 3.32 -0.84 -1.93 116.42 114.15 3h7b h ASP 61 Ca 0.02 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 3h7b h ASP 61 Cb 0.98 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3h7b h ASP 61 CO 0.09 0.91 -0.09 1.23 -1.72 0.00 0.00 179.24 179.67 3h7b h GLY 62 N 0.59 1.04 1.95 2.75 0.00 -1.09 -1.33 103.07 106.98 3h7b h GLY 62 Ca 0.11 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.50 3h7b h GLY 62 CO 0.03 0.76 -0.55 0.83 0.00 0.00 0.00 176.54 177.61 3h7b h GLU 63 N 0.82 0.05 -0.20 4.80 4.39 -1.15 -2.04 114.58 121.25 3h7b h GLU 63 Ca 0.13 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 3h7b h GLU 63 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3h7b h GLU 63 CO 0.04 0.58 -0.12 1.15 -1.16 0.00 0.00 179.01 179.50 3h7b h THR 64 N 0.04 1.31 -0.20 1.13 2.02 -1.20 -0.35 112.91 115.67 3h7b h THR 64 Ca -0.00 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.00 3h7b h THR 64 Cb 0.98 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 69.03 3h7b h THR 64 CO 0.07 0.37 -0.08 -0.09 0.37 0.00 0.00 175.52 176.17 3h7b h ARG 65 N 0.12 -0.04 -0.36 6.66 2.43 -1.17 -2.06 114.38 119.96 3h7b h ARG 65 Ca 0.04 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 3h7b h ARG 65 Cb 0.63 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3h7b h ARG 65 CO 0.03 -0.03 -0.29 0.87 -1.51 0.00 0.00 179.97 179.04 3h7b h LYS 66 N -0.04 0.77 0.00 0.20 1.57 -1.27 -2.20 116.57 115.59 3h7b h LYS 66 Ca 0.10 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 3h7b h LYS 66 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3h7b h LYS 66 CO -0.23 0.97 -0.49 -0.24 -0.57 0.00 0.00 179.45 178.88 3h7b h VAL 67 N 0.65 1.28 -0.01 0.50 3.04 -0.93 0.60 116.25 121.38 3h7b h VAL 67 Ca 0.08 -1.73 -0.18 0.00 -1.01 0.00 0.00 66.70 63.86 3h7b h VAL 67 Cb 0.82 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 32.04 3h7b h VAL 67 CO 0.07 0.48 -0.81 0.11 -1.01 0.00 0.00 177.57 176.41 3h7b h LYS 68 N 0.00 0.19 -0.31 4.17 1.57 -1.31 -0.57 116.57 120.31 3h7b h LYS 68 Ca -0.00 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3h7b h LYS 68 Cb 0.91 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3h7b h LYS 68 CO 0.06 0.89 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 3h7b h ALA 69 N 1.05 0.42 -0.47 3.86 0.00 -0.97 -2.08 119.26 121.06 3h7b h ALA 69 Ca -0.03 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.73 3h7b h ALA 69 Cb 1.40 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 3h7b h ALA 69 CO 0.12 0.17 0.02 0.45 0.00 0.00 0.00 179.25 180.01 3h7b h HIS 70 N 0.35 0.01 -0.73 0.00 3.86 -0.76 -2.72 115.15 115.17 3h7b h HIS 70 Ca 0.09 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.46 3h7b h HIS 70 Cb 0.43 0.07 -0.09 0.00 1.06 0.00 0.00 27.41 28.88 3h7b h HIS 70 CO 0.04 -0.08 0.28 1.03 0.86 0.00 0.00 177.93 180.06 3h7b h SER 71 N 0.14 0.26 0.56 2.45 0.87 -0.94 -2.34 113.55 114.55 3h7b h SER 71 Ca 0.24 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.73 3h7b h SER 71 Cb 0.34 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3h7b h SER 71 CO -0.37 0.11 -0.74 1.56 -0.53 0.00 0.00 176.83 176.85 3h7b h GLN 72 N 0.44 0.14 0.00 2.24 1.08 -1.10 -2.39 115.11 115.52 3h7b h GLN 72 Ca 0.39 -0.13 -0.19 0.00 -1.45 0.00 0.00 58.65 57.27 3h7b h GLN 72 Cb 0.57 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 3h7b h GLN 72 CO -0.39 0.82 -0.85 1.79 -0.95 0.00 0.00 178.83 179.26 3h7b h THR 73 N 0.09 1.51 -0.26 -0.54 1.35 -1.18 -1.98 112.91 111.90 3h7b h THR 73 Ca -0.02 -2.64 -0.06 0.00 -0.55 0.00 0.00 66.41 63.14 3h7b h THR 73 Cb 1.31 2.46 -0.02 0.00 -1.73 0.00 0.00 68.15 70.17 3h7b h THR 73 CO 0.11 0.76 -0.12 0.45 -0.25 0.00 0.00 175.52 176.48 3h7b h HIS 74 N 0.08 0.47 -0.32 4.73 3.86 -1.29 0.33 115.15 123.01 3h7b h HIS 74 Ca -0.03 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 3h7b h HIS 74 Cb 1.47 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 3h7b h HIS 74 CO 0.02 0.55 -0.23 -0.09 0.86 0.00 0.00 177.93 179.04 3h7b h ARG 75 N 0.41 0.61 -0.10 2.45 2.43 -1.17 -1.51 114.38 117.50 3h7b h ARG 75 Ca 0.08 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 3h7b h ARG 75 Cb 0.46 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3h7b h ARG 75 CO 0.03 0.79 -0.26 0.28 -1.51 0.00 0.00 179.97 179.30 3h7b h VAL 76 N 0.54 1.40 -0.98 0.20 2.07 -0.82 -3.31 116.25 115.35 3h7b h VAL 76 Ca 0.08 -1.59 0.17 0.00 0.82 0.00 0.00 66.70 66.18 3h7b h VAL 76 Cb 0.68 2.17 -0.10 0.00 -1.52 0.00 0.00 31.29 32.52 3h7b h VAL 76 CO 0.05 0.46 0.59 0.44 0.02 0.00 0.00 177.57 179.13 3h7b h ASP 77 N -0.10 0.78 -0.85 0.57 5.19 -0.19 -2.17 116.42 119.65 3h7b h ASP 77 Ca -0.01 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 3h7b h ASP 77 Cb 0.87 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 3h7b h ASP 77 CO 0.06 0.31 0.45 -0.07 -3.12 0.00 0.00 179.24 176.87 3h7b h LEU 78 N 0.80 1.08 -0.54 1.55 3.38 -1.36 -0.62 115.31 119.59 3h7b h LEU 78 Ca 0.55 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 3h7b h LEU 78 Cb 0.78 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h7b h LEU 78 CO -0.36 0.88 -0.36 1.23 0.09 0.00 0.00 178.44 179.92 3h7b h GLY 79 N 1.21 0.85 0.72 0.83 0.00 -1.51 -2.29 103.07 102.88 3h7b h GLY 79 Ca 0.30 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3h7b h GLY 79 CO -0.04 0.75 -0.04 -0.84 0.00 0.00 0.00 176.54 176.37 3h7b h THR 80 N 0.65 1.30 -0.90 4.70 2.02 -1.09 -2.50 112.91 117.09 3h7b h THR 80 Ca 0.06 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.27 3h7b h THR 80 Cb 0.91 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 3h7b h THR 80 CO 0.08 0.29 0.59 -0.07 0.37 0.00 0.00 175.52 176.78 3h7b h LEU 81 N -0.10 0.98 -0.61 2.58 3.38 -1.16 -1.06 115.31 119.31 3h7b h LEU 81 Ca 0.03 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3h7b h LEU 81 Cb 0.46 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3h7b h LEU 81 CO 0.01 0.67 0.37 -0.09 0.09 0.00 0.00 178.44 179.50 3h7b h ARG 82 N 1.13 0.70 -0.33 1.13 2.43 -1.36 -1.85 114.38 116.23 3h7b h ARG 82 Ca 0.35 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.37 3h7b h ARG 82 Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3h7b h ARG 82 CO -0.10 0.46 -0.23 0.78 -1.51 0.00 0.00 179.97 179.38 3h7b h GLY 83 N 0.72 0.81 0.93 2.80 0.00 -0.95 0.20 103.07 107.57 3h7b h GLY 83 Ca 0.25 -0.77 0.03 0.00 0.00 0.00 0.00 47.33 46.84 3h7b h GLY 83 CO -0.11 0.69 0.66 -0.97 0.00 0.00 0.00 176.54 176.81 3h7b h TYR 84 N 0.51 1.24 -0.45 5.60 0.05 -1.05 -2.65 116.97 120.22 3h7b h TYR 84 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3h7b h TYR 84 Cb 0.78 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3h7b h TYR 84 CO 0.06 0.74 0.00 0.66 -1.05 0.00 0.00 178.16 178.57 3h7b n TYR 85 N -4.42 0.59 -3.58 4.88 4.01 -0.71 -4.93 117.16 112.99 3h7b n TYR 85 Ca 0.13 -0.29 -0.22 0.00 -0.16 0.00 0.00 57.90 57.36 3h7b n TYR 85 Cb 0.07 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.17 3h7b n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h7b n ASN 86 N 1.36 -4.34 -4.89 7.72 5.15 -0.89 -4.98 115.26 114.40 3h7b n ASN 86 Ca 0.20 -0.61 -0.31 0.00 -0.60 0.00 0.00 54.58 53.26 3h7b n ASN 86 Cb 0.57 -4.87 -0.05 0.00 -0.53 0.00 0.00 39.78 34.90 3h7b n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3h7b s GLN 87 N -6.00 3.70 0.75 1.20 -0.21 0.64 -5.03 119.66 114.72 3h7b s GLN 87 Ca 0.35 0.10 -0.11 0.00 0.02 0.00 0.00 55.36 55.72 3h7b s GLN 87 Cb -0.16 -2.71 0.04 0.00 1.00 0.00 0.00 33.01 31.19 3h7b s GLN 87 CO 0.75 0.34 1.08 0.45 -2.12 0.00 0.00 175.29 175.79 3h7b s SER 88 N -2.57 4.79 0.40 5.90 0.15 -1.26 -4.76 113.70 116.35 3h7b s SER 88 Ca 0.45 1.64 0.25 0.00 0.70 0.00 0.00 55.95 58.98 3h7b s SER 88 Cb -0.11 -2.42 0.54 0.00 -1.71 0.00 0.00 66.02 62.32 3h7b s SER 88 CO 0.24 -1.83 1.68 -0.08 1.20 0.00 0.00 173.24 174.45 3h7b h GLU 89 N -0.99 0.00 0.00 5.44 4.81 -1.98 -3.31 114.58 118.55 3h7b h GLU 89 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3h7b h GLU 89 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3h7b h GLU 89 CO 0.55 0.00 -0.31 0.00 -0.73 0.00 0.00 179.01 178.52 3h7b n ALA 90 N -2.03 2.85 -2.41 2.92 0.00 -1.26 -4.74 120.51 115.85 3h7b n ALA 90 Ca 0.04 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 3h7b n ALA 90 Cb 0.48 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 3h7b n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h7b s GLY 91 N -3.25 2.17 -0.04 0.00 0.00 -1.25 -4.70 107.32 100.26 3h7b s GLY 91 Ca 0.11 -0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.29 3h7b s GLY 91 CO 0.64 -0.17 0.68 -0.45 0.00 0.00 0.00 173.10 173.79 3h7b s SER 92 N -2.57 7.01 0.26 1.64 0.15 -1.26 -4.74 113.70 114.18 3h7b s SER 92 Ca 0.47 1.21 0.06 0.00 0.70 0.00 0.00 55.95 58.39 3h7b s SER 92 Cb -0.11 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 3h7b s SER 92 CO 0.23 -0.04 -0.07 -1.00 1.20 0.00 0.00 173.24 173.57 3h7b s HIS 93 N 0.43 1.85 -0.07 3.44 3.76 -1.26 -4.95 115.29 118.49 3h7b s HIS 93 Ca 0.36 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 3h7b s HIS 93 Cb -0.18 -1.03 0.02 0.00 1.11 0.00 0.00 32.58 32.50 3h7b s HIS 93 CO 0.18 0.25 -0.07 0.99 -0.85 0.00 0.00 174.74 175.24 3h7b s THR 94 N -3.06 0.81 -0.10 1.30 2.01 -1.26 -1.76 115.64 113.58 3h7b s THR 94 Ca 0.28 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 3h7b s THR 94 Cb 0.03 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 3h7b s THR 94 CO 0.10 0.30 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 3h7b s VAL 95 N 1.17 3.70 0.03 3.82 1.01 -0.31 0.40 120.40 130.23 3h7b s VAL 95 Ca -0.06 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3h7b s VAL 95 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3h7b s VAL 95 CO -0.02 0.56 -0.12 -1.10 0.00 0.00 0.00 175.10 174.42 3h7b s GLN 96 N -0.32 0.82 0.00 2.72 -0.21 -0.52 -0.95 119.66 121.20 3h7b s GLN 96 Ca 0.05 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.73 3h7b s GLN 96 Cb -0.13 -0.78 -0.01 0.00 1.00 0.00 0.00 33.01 33.10 3h7b s GLN 96 CO 0.02 0.19 -0.02 0.50 -2.12 0.00 0.00 175.29 173.86 3h7b s ARG 97 N -1.10 0.20 -0.01 2.91 3.52 -0.68 -0.65 118.95 123.13 3h7b s ARG 97 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3h7b s ARG 97 Cb -0.08 -0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.20 3h7b s ARG 97 CO 0.01 0.03 -0.00 1.41 -0.81 0.00 0.00 175.30 175.93 3h7b s MET 98 N -0.35 0.13 0.05 5.12 -2.45 -0.43 -0.78 119.30 120.59 3h7b s MET 98 Ca -0.02 0.02 -0.06 0.00 -1.25 0.00 0.00 55.69 54.37 3h7b s MET 98 Cb -0.03 -0.22 -0.01 0.00 1.25 0.00 0.00 34.83 35.82 3h7b s MET 98 CO -0.00 -0.04 0.12 1.52 1.05 0.00 0.00 175.02 177.67 3h7b s TYR 99 N 0.40 0.20 -2.80 4.11 -0.85 -0.92 -0.47 117.35 117.03 3h7b s TYR 99 Ca -0.04 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 3h7b s TYR 99 Cb -0.06 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.15 3h7b s TYR 99 CO -0.01 -0.42 0.00 0.41 -1.52 0.00 0.00 175.55 174.01 3h7b n GLY 100 N 0.50 -0.90 3.16 5.49 0.00 -0.86 -0.75 105.19 111.83 3h7b n GLY 100 Ca -0.18 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 3h7b n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7b s ASP 102 N -2.34 3.17 0.20 0.00 1.01 -0.37 -0.88 116.67 117.45 3h7b s ASP 102 Ca -0.02 -0.54 0.08 0.00 0.71 0.00 0.00 52.55 52.78 3h7b s ASP 102 Cb 0.01 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 3h7b s ASP 102 CO -0.06 0.28 -0.15 0.68 0.21 0.00 0.00 175.17 176.13 3h7b s VAL 103 N -0.74 1.73 0.00 -1.27 -7.23 0.74 -0.66 120.40 112.97 3h7b s VAL 103 Ca 0.11 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 3h7b s VAL 103 Cb -0.10 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3h7b s VAL 103 CO 0.01 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 3h7b n GLY 104 N -0.32 -0.35 0.00 2.32 0.00 -0.18 -1.95 105.19 104.72 3h7b n GLY 104 Ca -0.08 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.28 3h7b n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h7b n SER 105 N -2.07 0.00 -1.03 1.61 3.41 -1.25 -1.23 113.62 113.06 3h7b n SER 105 Ca 0.00 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 3h7b n SER 105 Cb 0.00 -0.40 0.26 0.00 -0.26 0.00 0.00 64.21 63.81 3h7b n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h7b n ASP 106 N -1.40 3.07 -0.93 4.04 5.68 -1.26 -4.76 116.55 120.99 3h7b n ASP 106 Ca 0.07 -1.94 -0.12 0.00 -0.50 0.00 0.00 54.79 52.30 3h7b n ASP 106 Cb 0.20 -0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 3h7b n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3h7b n TRP 107 N 1.21 0.00 -3.94 2.11 7.02 -0.37 -4.99 117.44 118.49 3h7b n TRP 107 Ca 0.19 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.32 3h7b n TRP 107 Cb 0.53 -2.23 -0.06 0.00 -2.42 0.00 0.00 31.31 27.12 3h7b n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3h7b s ARG 108 N -3.02 3.38 -0.24 -0.99 0.52 -1.26 -4.77 118.95 112.57 3h7b s ARG 108 Ca 0.00 -0.23 -0.28 0.00 -0.52 0.00 0.00 55.73 54.70 3h7b s ARG 108 Cb 0.00 -3.11 -0.12 0.00 0.52 0.00 0.00 34.95 32.23 3h7b s ARG 108 CO 0.00 0.73 0.92 0.34 0.02 0.00 0.00 175.30 177.31 3h7b n PHE 109 N 1.63 0.93 -0.06 -0.53 7.35 -1.26 -1.01 117.46 124.51 3h7b n PHE 109 Ca -0.17 0.70 -0.13 0.00 -0.76 0.00 0.00 57.45 57.09 3h7b n PHE 109 Cb 0.54 -1.37 -0.04 0.00 0.35 0.00 0.00 39.48 38.96 3h7b n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3h7b n LEU 110 N 2.13 0.98 -3.81 -2.13 4.77 0.17 -4.80 117.00 114.30 3h7b n LEU 110 Ca 0.18 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3h7b n LEU 110 Cb -0.02 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 3h7b n LEU 110 CO 0.52 0.19 -0.11 -0.60 -1.33 0.00 0.00 177.39 176.06 3h7b s ARG 111 N -2.26 0.41 0.19 3.23 3.52 -1.20 -5.01 118.95 117.82 3h7b s ARG 111 Ca -0.18 -0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.48 3h7b s ARG 111 Cb 0.06 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 3h7b s ARG 111 CO 0.23 -0.09 -0.15 0.20 -0.81 0.00 0.00 175.30 174.68 3h7b s GLY 112 N -0.64 1.36 -0.04 8.12 0.00 -1.26 -1.24 107.32 113.63 3h7b s GLY 112 Ca -0.07 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 43.02 3h7b s GLY 112 CO 0.01 -1.67 0.12 -0.19 0.00 0.00 0.00 173.10 171.38 3h7b s TYR 113 N -2.74 -0.10 -0.29 1.90 1.51 -0.64 -4.88 117.35 112.11 3h7b s TYR 113 Ca 0.20 0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 56.47 3h7b s TYR 113 Cb -0.02 0.02 0.17 0.00 -0.11 0.00 0.00 41.96 42.03 3h7b s TYR 113 CO 0.06 -0.10 0.59 -1.58 -1.11 0.00 0.00 175.55 173.41 3h7b s HIS 114 N -0.18 -1.49 0.11 2.71 2.46 -1.26 -2.02 115.29 115.62 3h7b s HIS 114 Ca -0.03 1.74 -0.01 0.00 0.47 0.00 0.00 55.06 57.24 3h7b s HIS 114 Cb -0.02 0.56 -0.04 0.00 -0.13 0.00 0.00 32.58 32.95 3h7b s HIS 114 CO 0.00 -0.83 0.03 1.14 -2.47 0.00 0.00 174.74 172.62 3h7b s GLN 115 N 2.84 0.87 -0.04 2.88 -2.07 0.38 -1.06 119.66 123.46 3h7b s GLN 115 Ca 0.16 -1.40 -0.06 0.00 -1.82 0.00 0.00 55.36 52.24 3h7b s GLN 115 Cb -0.15 0.19 0.01 0.00 -1.09 0.00 0.00 33.01 31.98 3h7b s GLN 115 CO -0.20 -0.21 0.16 -0.47 -1.32 0.00 0.00 175.29 173.25 3h7b s TYR 116 N -3.99 -0.12 0.04 9.60 6.14 -0.11 -1.31 117.35 127.60 3h7b s TYR 116 Ca 0.20 0.27 0.02 0.00 0.64 0.00 0.00 57.07 58.21 3h7b s TYR 116 Cb 0.07 0.03 -0.02 0.00 0.42 0.00 0.00 41.96 42.46 3h7b s TYR 116 CO -0.01 -0.15 -0.07 0.00 0.64 0.00 0.00 175.55 175.96 3h7b s ALA 117 N -0.37 0.53 -0.14 3.97 0.00 0.18 -0.53 121.76 125.39 3h7b s ALA 117 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3h7b s ALA 117 Cb -0.03 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3h7b s ALA 117 CO 0.01 -0.01 -0.14 -0.47 0.00 0.00 0.00 175.76 175.15 3h7b s TYR 118 N -1.23 2.10 -1.47 0.00 5.04 -0.75 -1.44 117.35 119.61 3h7b s TYR 118 Ca -0.09 -1.15 -0.12 0.00 -2.44 0.00 0.00 57.07 53.27 3h7b s TYR 118 Cb -0.09 -1.55 0.06 0.00 0.35 0.00 0.00 41.96 40.72 3h7b s TYR 118 CO 0.00 -0.64 1.05 -0.25 -1.34 0.00 0.00 175.55 174.38 3h7b n ASP 119 N 4.72 -5.46 0.00 4.32 8.00 0.16 -2.75 116.55 125.55 3h7b n ASP 119 Ca -0.17 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.66 3h7b n ASP 119 Cb 0.50 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 3h7b n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h7b n GLY 120 N -1.81 0.72 3.32 0.44 0.00 -1.26 -5.01 105.19 101.60 3h7b n GLY 120 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3h7b n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h7b s LYS 121 N -0.11 1.23 0.09 1.61 -2.85 -1.11 -5.10 119.74 113.50 3h7b s LYS 121 Ca 0.00 -1.26 -0.36 0.00 -1.00 0.00 0.00 55.97 53.35 3h7b s LYS 121 Cb 0.00 -1.53 -0.18 0.00 -2.06 0.00 0.00 37.83 34.06 3h7b s LYS 121 CO 0.00 0.35 1.11 -0.25 0.10 0.00 0.00 175.35 176.67 3h7b n ASP 122 N 0.90 0.70 0.02 0.03 8.00 -1.26 -1.80 116.55 123.14 3h7b n ASP 122 Ca -0.18 1.14 -0.02 0.00 0.71 0.00 0.00 54.79 56.44 3h7b n ASP 122 Cb 0.54 -1.08 -0.01 0.00 -0.02 0.00 0.00 41.12 40.55 3h7b n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h7b n TYR 123 N 1.63 0.00 -3.78 1.24 9.36 0.31 -4.73 117.16 121.18 3h7b n TYR 123 Ca 0.18 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.27 3h7b n TYR 123 Cb 0.17 -0.09 -0.10 0.00 -0.63 0.00 0.00 39.34 38.69 3h7b n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3h7b s ILE 124 N -2.16 0.03 -0.08 2.97 2.07 -1.05 -4.53 121.20 118.45 3h7b s ILE 124 Ca -0.05 -0.21 -0.07 0.00 -1.41 0.00 0.00 60.65 58.91 3h7b s ILE 124 Cb 0.01 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.14 3h7b s ILE 124 CO 0.08 -0.11 0.21 0.00 -1.91 0.00 0.00 174.94 173.20 3h7b s ALA 125 N -0.42 -0.52 0.10 1.50 0.00 -0.78 -0.93 121.76 120.71 3h7b s ALA 125 Ca -0.05 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3h7b s ALA 125 Cb -0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 3h7b s ALA 125 CO 0.02 -0.10 1.21 -1.17 0.00 0.00 0.00 175.76 175.72 3h7b s LEU 126 N 0.09 4.39 0.89 0.00 2.96 -0.22 -0.65 118.68 126.14 3h7b s LEU 126 Ca -0.00 2.09 -0.12 0.00 -0.22 0.00 0.00 54.13 55.88 3h7b s LEU 126 Cb -0.02 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 43.22 3h7b s LEU 126 CO 0.00 -0.46 1.12 -0.54 -1.32 0.00 0.00 176.35 175.16 3h7b s LYS 127 N 0.74 1.30 0.38 1.98 1.02 0.29 -4.66 119.74 120.79 3h7b s LYS 127 Ca 0.58 0.41 0.20 0.00 0.02 0.00 0.00 55.97 57.17 3h7b s LYS 127 Cb -0.31 -1.85 0.68 0.00 -0.52 0.00 0.00 37.83 35.84 3h7b s LYS 127 CO 0.31 -2.11 1.73 1.49 -0.92 0.00 0.00 175.35 175.85 3h7b h GLU 128 N -1.44 0.00 0.00 1.68 4.81 -1.90 -1.99 114.58 115.75 3h7b h GLU 128 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3h7b h GLU 128 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3h7b h GLU 128 CO 0.61 0.34 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 3h7b n ASP 129 N -3.46 0.23 -1.30 1.04 5.68 -1.26 -4.86 116.55 112.63 3h7b n ASP 129 Ca 0.00 0.58 -0.14 0.00 -0.50 0.00 0.00 54.79 54.73 3h7b n ASP 129 Cb 0.51 -0.62 -0.04 0.00 -1.14 0.00 0.00 41.12 39.83 3h7b n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3h7b n LEU 130 N -1.78 -1.27 0.00 -2.12 4.77 -0.75 -4.82 117.00 111.04 3h7b n LEU 130 Ca 0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3h7b n LEU 130 Cb 0.10 -2.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 3h7b n LEU 130 CO 0.10 -0.54 -0.13 0.54 -1.33 0.00 0.00 177.39 176.03 3h7b n ARG 131 N -2.51 3.80 -4.13 3.23 1.74 -1.26 -4.60 116.66 112.93 3h7b n ARG 131 Ca -0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 3h7b n ARG 131 Cb 0.53 -0.54 -0.10 0.00 -1.02 0.00 0.00 32.46 31.33 3h7b n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3h7b s SER 132 N -0.97 0.32 0.07 0.55 1.04 -1.26 -4.95 113.70 108.50 3h7b s SER 132 Ca 0.00 -1.16 0.08 0.00 0.48 0.00 0.00 55.95 55.35 3h7b s SER 132 Cb 0.00 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 3h7b s SER 132 CO 0.00 -0.72 -0.23 0.26 0.98 0.00 0.00 173.24 173.54 3h7b s TRP 133 N -4.03 1.96 -0.22 5.02 0.52 -1.26 -0.55 118.94 120.39 3h7b s TRP 133 Ca 0.21 -0.39 -0.06 0.00 0.02 0.00 0.00 56.10 55.88 3h7b s TRP 133 Cb 0.07 -1.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 3h7b s TRP 133 CO -0.00 0.17 0.01 0.99 0.02 0.00 0.00 176.95 178.14 3h7b s THR 134 N -0.94 3.96 0.00 2.01 2.01 0.17 -4.88 115.64 117.97 3h7b s THR 134 Ca 0.09 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3h7b s THR 134 Cb -0.09 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.60 3h7b s THR 134 CO 0.03 0.40 0.00 0.00 -0.69 0.00 0.00 174.62 174.36 3h7b n ALA 135 N 4.57 0.29 0.00 7.40 0.00 -1.26 -1.86 120.51 129.65 3h7b n ALA 135 Ca -0.17 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3h7b n ALA 135 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3h7b n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h7b n ALA 136 N -2.42 0.00 -1.89 0.00 0.00 -1.26 -4.54 120.51 110.40 3h7b n ALA 136 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3h7b n ALA 136 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 3h7b n ALA 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h7b s ASP 137 N 0.00 4.42 0.14 0.00 1.11 -1.26 -4.95 116.67 116.12 3h7b s ASP 137 Ca 0.00 0.77 -0.08 0.00 0.18 0.00 0.00 52.55 53.42 3h7b s ASP 137 Cb 0.00 -1.25 -0.06 0.00 1.07 0.00 0.00 42.92 42.68 3h7b s ASP 137 CO 0.00 -1.96 1.37 -0.03 1.18 0.00 0.00 175.17 175.73 3h7b h MET 138 N -1.09 0.66 -0.09 8.23 4.05 -1.99 -1.91 114.93 122.79 3h7b h MET 138 Ca -0.46 -0.52 0.03 0.00 -0.28 0.00 0.00 59.70 58.47 3h7b h MET 138 Cb 1.33 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.19 3h7b h MET 138 CO 0.65 1.14 -0.13 0.00 0.23 0.00 0.00 176.91 178.80 3h7b h ALA 139 N 0.72 -0.07 0.00 0.39 0.00 -1.94 -2.14 119.26 116.22 3h7b h ALA 139 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3h7b h ALA 139 Cb 1.34 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3h7b h ALA 139 CO 0.14 -0.59 -0.19 0.00 0.00 0.00 0.00 179.25 178.61 3h7b h ALA 140 N 0.86 1.38 -0.33 0.00 0.00 -1.86 -2.26 119.26 117.06 3h7b h ALA 140 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3h7b h ALA 140 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h7b h ALA 140 CO -0.19 0.24 -0.18 1.96 0.00 0.00 0.00 179.25 181.07 3h7b h GLN 141 N 0.00 0.61 -0.11 0.00 4.20 -0.90 -0.40 115.11 118.51 3h7b h GLN 141 Ca -0.00 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.52 3h7b h GLN 141 Cb 0.42 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3h7b h GLN 141 CO 0.02 0.76 -0.05 1.15 -0.67 0.00 0.00 178.83 180.04 3h7b h THR 142 N 0.54 0.83 -0.91 -0.54 2.02 -0.80 -1.10 112.91 112.96 3h7b h THR 142 Ca 0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.29 3h7b h THR 142 Cb 0.62 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 3h7b h THR 142 CO 0.04 0.00 0.59 0.74 0.37 0.00 0.00 175.52 177.27 3h7b h THR 143 N -0.04 1.18 -0.61 3.16 2.02 -1.42 -2.19 112.91 115.01 3h7b h THR 143 Ca 0.06 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3h7b h THR 143 Cb 0.13 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.41 3h7b h THR 143 CO -0.14 0.21 0.37 0.50 0.37 0.00 0.00 175.52 176.83 3h7b h LYS 144 N 1.17 0.69 -0.50 6.66 3.64 -0.72 -1.19 116.57 126.33 3h7b h LYS 144 Ca 0.35 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3h7b h LYS 144 Cb -0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3h7b h LYS 144 CO -0.10 0.46 -0.06 0.45 -2.27 0.00 0.00 179.45 177.93 3h7b h HIS 145 N 0.72 0.96 -0.44 1.91 3.86 -0.99 -0.03 115.15 121.14 3h7b h HIS 145 Ca 0.25 -0.16 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 3h7b h HIS 145 Cb 0.05 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.22 3h7b h HIS 145 CO -0.06 0.90 0.15 0.87 0.86 0.00 0.00 177.93 180.65 3h7b h LYS 146 N 0.80 0.31 0.00 2.45 1.57 -0.94 -1.64 116.57 119.12 3h7b h LYS 146 Ca 0.14 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3h7b h LYS 146 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3h7b h LYS 146 CO 0.03 0.20 -0.56 -1.49 -0.57 0.00 0.00 179.45 177.06 3h7b h TRP 147 N 0.32 0.00 -0.10 -1.35 4.06 -0.93 -2.09 115.95 115.86 3h7b h TRP 147 Ca 0.20 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.12 3h7b h TRP 147 Cb 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3h7b h TRP 147 CO -0.16 0.56 -0.07 0.93 -3.56 0.00 0.00 178.44 176.15 3h7b h GLU 148 N 0.00 0.22 -0.37 0.49 5.08 -0.87 -0.77 114.58 118.36 3h7b h GLU 148 Ca -0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3h7b h GLU 148 Cb 1.29 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 3h7b h GLU 148 CO 0.07 0.61 0.20 0.00 -1.00 0.00 0.00 179.01 178.89 3h7b h ALA 149 N 0.61 1.66 -0.17 3.43 0.00 -1.17 -2.46 119.26 121.17 3h7b h ALA 149 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h7b h ALA 149 Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h7b h ALA 149 CO 0.02 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3h7b n ALA 150 N -2.48 2.52 -3.90 0.00 0.00 -0.80 -4.95 120.51 110.90 3h7b n ALA 150 Ca 0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 53.44 52.62 3h7b n ALA 150 Cb 0.10 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.49 3h7b n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h7b n HIS 151 N 0.44 -2.08 -0.29 0.00 -0.00 -0.93 -4.89 115.22 107.47 3h7b n HIS 151 Ca 0.17 0.86 -0.06 0.00 -0.00 0.00 0.00 57.72 58.69 3h7b n HIS 151 Cb 0.37 -3.95 0.07 0.00 -0.00 0.00 0.00 29.99 26.47 3h7b n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3h7b h VAL 152 N -1.95 1.26 -0.83 1.59 2.07 -1.42 -3.06 116.25 113.92 3h7b h VAL 152 Ca -0.59 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 3h7b h VAL 152 Cb 1.37 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3h7b h VAL 152 CO 0.65 0.34 0.41 0.00 0.02 0.00 0.00 177.57 179.00 3h7b h ALA 153 N 1.17 1.07 -0.11 1.67 0.00 -1.91 -0.85 119.26 120.29 3h7b h ALA 153 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h7b h ALA 153 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h7b h ALA 153 CO -0.02 0.62 0.06 0.93 0.00 0.00 0.00 179.25 180.84 3h7b h GLU 154 N 1.17 0.13 -0.62 0.00 3.07 -1.80 -0.51 114.58 116.02 3h7b h GLU 154 Ca 0.29 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.11 3h7b h GLU 154 Cb 0.09 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3h7b h GLU 154 CO -0.04 0.08 0.25 1.96 -1.40 0.00 0.00 179.01 179.87 3h7b h GLN 155 N 0.13 0.91 -0.22 2.33 4.20 -1.39 -2.84 115.11 118.23 3h7b h GLN 155 Ca 0.04 -0.14 -0.20 0.00 0.06 0.00 0.00 58.65 58.41 3h7b h GLN 155 Cb -0.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3h7b h GLN 155 CO -0.02 0.74 -0.64 1.25 -0.67 0.00 0.00 178.83 179.49 3h7b h LEU 156 N 0.89 0.89 -0.57 1.46 5.85 -0.94 -2.77 115.31 120.13 3h7b h LEU 156 Ca 0.21 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.49 3h7b h LEU 156 Cb 0.17 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3h7b h LEU 156 CO -0.02 1.31 0.23 -0.09 -0.34 0.00 0.00 178.44 179.53 3h7b h ARG 157 N 0.58 0.41 -0.60 1.25 2.43 -0.97 0.28 114.38 117.76 3h7b h ARG 157 Ca -0.01 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3h7b h ARG 157 Cb 1.24 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 3h7b h ARG 157 CO 0.13 0.27 0.34 0.00 -1.51 0.00 0.00 179.97 179.21 3h7b h ALA 158 N 1.37 0.78 -0.37 2.80 0.00 -1.43 -1.28 119.26 121.13 3h7b h ALA 158 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3h7b h ALA 158 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3h7b h ALA 158 CO -0.26 0.03 0.17 -0.92 0.00 0.00 0.00 179.25 178.28 3h7b h TYR 159 N 0.65 0.55 0.00 0.00 3.20 -1.10 -2.14 116.97 118.14 3h7b h TYR 159 Ca 0.26 -0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.91 3h7b h TYR 159 Cb 0.11 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3h7b h TYR 159 CO -0.07 0.48 -0.85 -0.07 -1.64 0.00 0.00 178.16 176.00 3h7b h LEU 160 N 0.46 0.19 0.00 2.82 3.38 -0.62 0.32 115.31 121.86 3h7b h LEU 160 Ca 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h7b h LEU 160 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3h7b h LEU 160 CO -0.01 0.95 -1.11 -0.62 0.09 0.00 0.00 178.44 177.73 3h7b n GLU 161 N -3.64 0.25 0.00 1.13 1.02 -0.51 -3.95 120.64 114.94 3h7b n GLU 161 Ca -0.03 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3h7b n GLU 161 Cb 0.79 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3h7b n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h7b n GLY 162 N 1.39 0.63 0.33 0.62 0.00 -0.80 -4.70 105.19 102.66 3h7b n GLY 162 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3h7b n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h7b h THR 163 N 0.00 0.70 -0.14 2.61 2.02 -1.53 -0.87 112.91 115.70 3h7b h THR 163 Ca 0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3h7b h THR 163 Cb 0.00 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 3h7b h THR 163 CO 0.00 0.12 0.05 0.00 0.37 0.00 0.00 175.52 176.07 3h7b h VAL 165 N 0.07 1.29 -0.43 0.00 -1.51 -1.45 -2.18 116.25 112.04 3h7b h VAL 165 Ca 0.05 -1.93 0.08 0.00 -1.23 0.00 0.00 66.70 63.67 3h7b h VAL 165 Cb 0.18 1.90 -0.07 0.00 -2.13 0.00 0.00 31.29 31.17 3h7b h VAL 165 CO -0.00 0.61 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.60 3h7b h GLU 166 N 0.52 0.09 -0.21 5.19 5.08 -1.16 -0.62 114.58 123.48 3h7b h GLU 166 Ca -0.03 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 3h7b h GLU 166 Cb 1.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3h7b h GLU 166 CO 0.14 0.06 -0.52 -1.49 -1.00 0.00 0.00 179.01 176.20 3h7b h TRP 167 N 0.09 0.73 -0.32 4.33 4.06 -1.37 -1.81 115.95 121.67 3h7b h TRP 167 Ca 0.22 -0.25 0.00 0.00 2.06 0.00 0.00 58.89 60.92 3h7b h TRP 167 Cb 0.32 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 3h7b h TRP 167 CO -0.30 0.98 0.20 1.25 -3.56 0.00 0.00 178.44 177.01 3h7b h LEU 168 N 0.46 0.37 -1.26 -4.49 5.85 -1.08 0.16 115.31 115.32 3h7b h LEU 168 Ca 0.02 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3h7b h LEU 168 Cb 1.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3h7b h LEU 168 CO 0.10 0.29 0.05 0.03 -0.34 0.00 0.00 178.44 178.56 3h7b h ARG 169 N 0.42 0.55 -0.26 1.25 3.08 -0.99 -0.20 114.38 118.22 3h7b h ARG 169 Ca 0.11 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3h7b h ARG 169 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3h7b h ARG 169 CO -0.02 0.54 0.02 -0.09 -1.07 0.00 0.00 179.97 179.35 3h7b h ARG 170 N 0.53 0.44 -0.48 0.04 2.43 -0.61 -1.76 114.38 114.98 3h7b h ARG 170 Ca 0.12 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3h7b h ARG 170 Cb 0.27 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3h7b h ARG 170 CO 0.00 0.59 0.27 1.88 -1.51 0.00 0.00 179.97 181.21 3h7b h TYR 171 N 0.23 0.64 -0.73 2.20 0.05 -0.39 -0.11 116.97 118.86 3h7b h TYR 171 Ca 0.08 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.98 3h7b h TYR 171 Cb 0.38 -0.21 -0.09 0.00 1.01 0.00 0.00 36.73 37.82 3h7b h TYR 171 CO 0.03 0.47 0.29 -0.07 -1.05 0.00 0.00 178.16 177.83 3h7b h LEU 172 N 0.63 0.28 -0.06 3.88 3.38 -0.92 0.21 115.31 122.71 3h7b h LEU 172 Ca 0.17 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3h7b h LEU 172 Cb 0.03 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h7b h LEU 172 CO -0.03 0.12 -0.13 -0.33 0.09 0.00 0.00 178.44 178.16 3h7b h GLU 173 N 0.45 0.19 -0.53 1.13 4.39 -1.09 -2.60 114.58 116.52 3h7b h GLU 173 Ca 0.40 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 3h7b h GLU 173 Cb 0.57 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3h7b h GLU 173 CO -0.38 0.71 0.28 -0.91 -1.16 0.00 0.00 179.01 177.55 3h7b h ASN 174 N -0.30 0.65 -0.75 1.42 -0.26 -0.80 -2.83 115.58 112.71 3h7b h ASN 174 Ca 0.00 -0.05 -0.35 0.00 -0.56 0.00 0.00 56.30 55.35 3h7b h ASN 174 Cb 0.71 -0.17 -0.21 0.00 -1.06 0.00 0.00 38.32 37.60 3h7b h ASN 174 CO 0.03 0.54 0.37 0.61 -1.06 0.00 0.00 177.43 177.91 3h7b n GLY 175 N -1.26 4.38 0.26 2.83 0.00 0.72 -4.82 105.19 107.29 3h7b n GLY 175 Ca 0.05 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 45.01 3h7b n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h7b h LYS 176 N 1.42 0.17 0.00 1.61 3.64 -1.20 1.00 116.57 123.22 3h7b h LYS 176 Ca 0.43 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3h7b h LYS 176 Cb 2.40 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 34.19 3h7b h LYS 176 CO 0.82 0.11 -0.02 0.93 -2.27 0.00 0.00 179.45 179.02 3h7b h GLU 177 N 0.18 0.00 0.00 1.90 5.08 -1.88 -0.35 114.58 119.51 3h7b h GLU 177 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3h7b h GLU 177 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3h7b h GLU 177 CO -0.56 0.02 -0.54 2.41 -1.00 0.00 0.00 179.01 179.34 3h7b n THR 178 N -4.33 1.40 0.10 1.13 -1.04 -0.69 -4.28 114.28 106.57 3h7b n THR 178 Ca -0.03 0.22 -0.03 0.00 -2.04 0.00 0.00 64.05 62.16 3h7b n THR 178 Cb 0.10 -2.38 0.04 0.00 -1.82 0.00 0.00 70.33 66.27 3h7b n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3h7b h LEU 179 N -0.98 0.00 -3.39 -4.42 3.38 -0.82 -3.03 115.31 106.04 3h7b h LEU 179 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h7b h LEU 179 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3h7b h LEU 179 CO 0.00 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.31 3h7b n GLN 180 N -3.54 4.36 -3.22 1.13 6.02 -0.15 -4.93 117.38 117.05 3h7b n GLN 180 Ca -0.00 -3.05 -0.30 0.00 -0.01 0.00 0.00 57.00 53.64 3h7b n GLN 180 Cb 0.77 -2.10 -0.04 0.00 1.02 0.00 0.00 30.24 29.89 3h7b n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3h7b s ARG 181 N -2.43 3.71 -0.12 -1.09 1.70 -1.15 -4.98 118.95 114.60 3h7b s ARG 181 Ca 0.53 0.20 0.01 0.00 -0.47 0.00 0.00 55.73 55.99 3h7b s ARG 181 Cb 0.38 -2.57 0.02 0.00 -0.57 0.00 0.00 34.95 32.21 3h7b s ARG 181 CO 0.19 0.16 -0.13 0.95 -1.08 0.00 0.00 175.30 175.39 3h7b s THR 182 N -2.11 1.40 -0.39 4.99 -4.23 -1.26 -4.60 115.64 109.44 3h7b s THR 182 Ca 0.47 -0.56 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 3h7b s THR 182 Cb -0.11 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.44 3h7b s THR 182 CO 0.28 0.43 0.26 -1.81 -0.54 0.00 0.00 174.62 173.24 3h7b s ASP 183 N 1.23 6.00 0.44 3.99 1.01 0.64 -4.85 116.67 125.13 3h7b s ASP 183 Ca -0.02 -0.83 -0.25 0.00 0.71 0.00 0.00 52.55 52.16 3h7b s ASP 183 Cb -0.14 -2.12 -0.09 0.00 1.01 0.00 0.00 42.92 41.58 3h7b s ASP 183 CO -0.05 -0.39 1.26 0.00 0.21 0.00 0.00 175.17 176.20 3h7b n ALA 184 N 5.11 1.26 -1.77 5.23 0.00 -1.26 -1.28 120.51 127.80 3h7b n ALA 184 Ca -0.12 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 3h7b n ALA 184 Cb 0.47 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 3h7b n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h7b s PRO 185 N -2.28 4.05 -0.21 0.00 0.04 -1.26 -4.63 135.00 130.71 3h7b s PRO 185 Ca 0.62 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 63.53 3h7b s PRO 185 Cb -0.50 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 3h7b s PRO 185 CO 0.57 -0.39 0.61 0.15 0.04 0.00 0.00 177.00 177.98 3h7b s LYS 186 N -2.18 4.18 0.10 4.56 1.02 0.17 -4.83 119.74 122.76 3h7b s LYS 186 Ca 0.56 0.57 0.07 0.00 0.02 0.00 0.00 55.97 57.18 3h7b s LYS 186 Cb -0.36 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 3h7b s LYS 186 CO 0.46 -0.27 -0.09 0.95 -0.92 0.00 0.00 175.35 175.48 3h7b s THR 187 N 2.01 3.43 0.21 2.17 -4.23 -1.26 -1.55 115.64 116.43 3h7b s THR 187 Ca 0.27 -1.22 -0.23 0.00 -1.18 0.00 0.00 61.69 59.34 3h7b s THR 187 Cb -0.16 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.13 3h7b s THR 187 CO 0.10 0.13 0.75 -1.38 -0.54 0.00 0.00 174.62 173.68 3h7b s HIS 188 N -1.21 -0.26 0.13 3.99 -3.43 -1.13 -5.01 115.29 108.37 3h7b s HIS 188 Ca 0.21 -0.09 0.10 0.00 -0.80 0.00 0.00 55.06 54.48 3h7b s HIS 188 Cb -0.11 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 3h7b s HIS 188 CO 0.14 -1.03 -0.20 -1.64 -2.00 0.00 0.00 174.74 170.00 3h7b s MET 189 N -3.71 1.68 0.17 -0.38 -1.94 -1.26 -0.50 119.30 113.37 3h7b s MET 189 Ca 0.09 -1.25 0.10 0.00 -1.71 0.00 0.00 55.69 52.92 3h7b s MET 189 Cb -0.04 -2.04 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 3h7b s MET 189 CO 0.01 0.46 -0.22 0.95 -0.01 0.00 0.00 175.02 176.21 3h7b s THR 190 N -1.19 2.11 -0.07 2.05 -4.23 -0.59 -4.98 115.64 108.74 3h7b s THR 190 Ca 0.18 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 3h7b s THR 190 Cb -0.10 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.78 3h7b s THR 190 CO 0.09 -0.16 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.60 3h7b s HIS 191 N -1.70 1.52 -0.06 3.99 2.46 -1.26 -1.49 115.29 118.75 3h7b s HIS 191 Ca 0.17 -0.56 -0.03 0.00 0.47 0.00 0.00 55.06 55.11 3h7b s HIS 191 Cb -0.08 -1.11 0.04 0.00 -0.13 0.00 0.00 32.58 31.31 3h7b s HIS 191 CO 0.08 -0.28 0.13 -1.58 -2.47 0.00 0.00 174.74 170.61 3h7b s HIS 192 N 0.64 -0.12 -0.09 3.88 5.04 -0.68 -5.00 115.29 118.97 3h7b s HIS 192 Ca -0.15 0.46 -0.30 0.00 -1.54 0.00 0.00 55.06 53.53 3h7b s HIS 192 Cb -0.16 -0.21 -0.03 0.00 0.04 0.00 0.00 32.58 32.22 3h7b s HIS 192 CO 0.04 -0.20 1.35 0.00 -2.34 0.00 0.00 174.74 173.60 3h7b s ALA 193 N 1.67 3.60 -0.08 1.58 0.00 -1.26 -0.85 121.76 126.43 3h7b s ALA 193 Ca -0.03 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 3h7b s ALA 193 Cb -0.12 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 3h7b s ALA 193 CO -0.05 -1.07 0.14 0.28 0.00 0.00 0.00 175.76 175.06 3h7b h VAL 194 N 5.28 0.00 -1.53 0.00 2.07 -1.75 -3.48 116.25 116.84 3h7b h VAL 194 Ca -0.33 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3h7b h VAL 194 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3h7b h VAL 194 CO 0.93 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.98 3h7b n SER 195 N -4.58 0.56 0.00 0.57 3.41 -1.18 -5.03 113.62 107.38 3h7b n SER 195 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 3h7b n SER 195 Cb 0.05 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.16 3h7b n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h7b n ASP 196 N 0.00 0.62 -0.17 4.04 5.75 -1.26 -4.33 116.55 121.21 3h7b n ASP 196 Ca 0.00 -0.41 0.04 0.00 -0.01 0.00 0.00 54.79 54.41 3h7b n ASP 196 Cb 0.00 0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 40.51 3h7b n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h7b n HIS 197 N -1.52 0.00 -4.01 2.11 1.44 -1.26 -4.90 115.22 107.07 3h7b n HIS 197 Ca 0.05 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.66 3h7b n HIS 197 Cb 0.34 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.38 3h7b n HIS 197 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3h7b s GLU 198 N -1.39 1.35 -0.05 -1.40 -1.05 -1.26 -1.39 118.70 113.50 3h7b s GLU 198 Ca 0.07 -1.28 -0.13 0.00 -0.15 0.00 0.00 54.97 53.47 3h7b s GLU 198 Cb 0.07 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.19 3h7b s GLU 198 CO 0.26 -0.52 0.31 0.00 0.95 0.00 0.00 175.26 176.26 3h7b s ALA 199 N -4.02 -0.79 -0.10 -0.84 0.00 -0.08 -2.04 121.76 113.90 3h7b s ALA 199 Ca 0.23 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 3h7b s ALA 199 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3h7b s ALA 199 CO 0.06 -0.22 0.72 0.99 0.00 0.00 0.00 175.76 177.31 3h7b s THR 200 N -0.79 5.02 -0.17 0.00 2.01 -0.03 0.01 115.64 121.69 3h7b s THR 200 Ca -0.09 1.45 -0.05 0.00 0.31 0.00 0.00 61.69 63.31 3h7b s THR 200 Cb -0.04 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3h7b s THR 200 CO 0.03 0.20 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.39 3h7b s LEU 201 N 1.13 3.38 -0.09 4.42 1.43 0.25 -1.68 118.68 127.52 3h7b s LEU 201 Ca 0.37 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 3h7b s LEU 201 Cb -0.17 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3h7b s LEU 201 CO 0.16 0.15 -0.22 -0.60 0.23 0.00 0.00 176.35 176.07 3h7b s ARG 202 N 0.51 2.79 -0.19 1.70 3.52 -0.55 -1.33 118.95 125.40 3h7b s ARG 202 Ca -0.01 -0.79 -0.05 0.00 -0.13 0.00 0.00 55.73 54.74 3h7b s ARG 202 Cb -0.14 -2.13 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 3h7b s ARG 202 CO 0.02 0.15 0.01 0.00 -0.81 0.00 0.00 175.30 174.67 3h7b s TRP 204 N 0.78 3.25 -0.13 0.00 0.52 0.35 -1.46 118.94 122.25 3h7b s TRP 204 Ca 0.01 0.21 0.02 0.00 0.02 0.00 0.00 56.10 56.36 3h7b s TRP 204 Cb -0.14 -1.87 0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3h7b s TRP 204 CO 0.02 0.45 -0.18 0.00 0.02 0.00 0.00 176.95 177.26 3h7b s ALA 205 N -0.66 1.98 0.12 0.98 0.00 -0.17 -2.83 121.76 121.19 3h7b s ALA 205 Ca 0.11 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.19 3h7b s ALA 205 Cb -0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 3h7b s ALA 205 CO 0.02 -0.12 -0.12 -0.51 0.00 0.00 0.00 175.76 175.03 3h7b s LEU 206 N 1.01 2.43 -1.43 0.00 1.43 -0.59 -1.01 118.68 120.51 3h7b s LEU 206 Ca -0.04 -0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 3h7b s LEU 206 Cb -0.15 -0.46 0.05 0.00 0.03 0.00 0.00 46.19 45.65 3h7b s LEU 206 CO -0.04 -0.20 1.03 -0.24 0.23 0.00 0.00 176.35 177.13 3h7b n SER 207 N 0.39 -4.86 -4.72 2.29 2.88 -0.88 0.42 113.62 109.15 3h7b n SER 207 Ca -0.14 -0.69 -0.27 0.00 -1.33 0.00 0.00 58.87 56.43 3h7b n SER 207 Cb 0.58 -4.38 -0.07 0.00 -0.75 0.00 0.00 64.21 59.59 3h7b n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3h7b s PHE 208 N -3.35 2.99 -0.18 0.66 -0.71 -1.05 -4.65 117.98 111.70 3h7b s PHE 208 Ca 0.53 -0.07 -0.13 0.00 -1.04 0.00 0.00 56.93 56.23 3h7b s PHE 208 Cb -0.26 -1.46 0.05 0.00 -1.21 0.00 0.00 43.02 40.15 3h7b s PHE 208 CO 0.79 0.51 0.44 -0.47 -1.34 0.00 0.00 175.22 175.15 3h7b s TYR 209 N -1.66 -0.58 1.13 3.49 5.04 -0.40 -0.75 117.35 123.62 3h7b s TYR 209 Ca 0.29 1.30 -0.19 0.00 -2.44 0.00 0.00 57.07 56.03 3h7b s TYR 209 Cb -0.10 0.24 0.27 0.00 0.35 0.00 0.00 41.96 42.72 3h7b s TYR 209 CO 0.20 -0.31 1.19 -1.25 -1.34 0.00 0.00 175.55 174.05 3h7b s PRO 210 N 0.89 -0.71 0.41 4.97 0.04 -1.26 -0.26 135.00 139.07 3h7b s PRO 210 Ca -0.05 -0.26 0.21 0.00 0.04 0.00 0.00 61.00 60.94 3h7b s PRO 210 Cb -0.06 -1.67 0.82 0.00 0.04 0.00 0.00 34.50 33.63 3h7b s PRO 210 CO -0.07 -3.34 1.80 0.00 0.04 0.00 0.00 177.00 175.42 3h7b h ALA 211 N -2.31 1.05 -2.47 8.56 0.00 -1.97 -3.44 119.26 118.68 3h7b h ALA 211 Ca -0.44 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 53.66 3h7b h ALA 211 Cb 1.26 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 19.04 3h7b h ALA 211 CO 0.33 0.38 1.13 -1.91 0.00 0.00 0.00 179.25 179.18 3h7b n GLU 212 N -3.53 2.81 -3.62 0.00 4.07 -1.26 -4.98 120.64 114.12 3h7b n GLU 212 Ca -0.00 1.02 -0.15 0.00 -0.06 0.00 0.00 57.16 57.97 3h7b n GLU 212 Cb 0.45 -2.93 -0.07 0.00 -0.06 0.00 0.00 31.44 28.83 3h7b n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3h7b s ILE 213 N 2.97 0.01 -0.19 6.31 2.07 -1.26 -4.61 121.20 126.50 3h7b s ILE 213 Ca 0.83 -0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.96 3h7b s ILE 213 Cb -0.47 -0.87 -0.01 0.00 0.13 0.00 0.00 42.46 41.24 3h7b s ILE 213 CO 0.38 -0.05 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.39 3h7b s THR 214 N -0.61 3.15 -0.11 4.00 2.01 -0.66 -5.01 115.64 118.42 3h7b s THR 214 Ca -0.07 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3h7b s THR 214 Cb -0.03 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.11 3h7b s THR 214 CO 0.05 0.46 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.13 3h7b s LEU 215 N 1.16 1.38 0.04 4.42 2.96 -1.26 -1.00 118.68 126.38 3h7b s LEU 215 Ca 0.02 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3h7b s LEU 215 Cb -0.14 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 3h7b s LEU 215 CO -0.02 -0.08 0.10 0.42 -1.32 0.00 0.00 176.35 175.45 3h7b s THR 216 N 1.49 0.13 0.09 3.68 -4.23 -0.51 -4.93 115.64 111.38 3h7b s THR 216 Ca 0.02 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.47 3h7b s THR 216 Cb -0.13 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 3h7b s THR 216 CO -0.07 -0.61 0.07 0.26 -0.54 0.00 0.00 174.62 173.73 3h7b s TRP 217 N -2.69 3.13 0.06 3.99 0.52 -1.26 -0.29 118.94 122.40 3h7b s TRP 217 Ca -0.04 0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.16 3h7b s TRP 217 Cb -0.01 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 3h7b s TRP 217 CO -0.05 0.51 -0.14 -0.65 0.02 0.00 0.00 176.95 176.65 3h7b s GLN 218 N -2.47 0.85 -0.19 4.98 -0.21 -0.21 -3.52 119.66 118.88 3h7b s GLN 218 Ca 0.29 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 3h7b s GLN 218 Cb -0.12 -0.84 0.00 0.00 1.00 0.00 0.00 33.01 33.05 3h7b s GLN 218 CO 0.21 0.20 -0.12 0.50 -2.12 0.00 0.00 175.29 173.96 3h7b s ARG 219 N -1.45 3.21 -1.34 2.91 3.52 -0.73 -1.66 118.95 123.41 3h7b s ARG 219 Ca -0.01 -0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 54.79 3h7b s ARG 219 Cb -0.09 -2.76 0.06 0.00 -1.56 0.00 0.00 34.95 30.60 3h7b s ARG 219 CO 0.02 -0.14 0.51 -0.25 -0.81 0.00 0.00 175.30 174.63 3h7b n ASP 220 N 4.53 -4.19 0.00 -2.12 8.00 0.11 -1.05 116.55 121.82 3h7b n ASP 220 Ca -0.19 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 54.94 3h7b n ASP 220 Cb 0.51 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 3h7b n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h7b n GLY 221 N -1.24 0.26 3.94 0.44 0.00 -1.26 -5.02 105.19 102.31 3h7b n GLY 221 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3h7b n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h7b s GLU 222 N -0.98 3.46 0.00 1.61 0.41 -0.22 -5.00 118.70 117.98 3h7b s GLU 222 Ca 0.00 -0.52 -0.36 0.00 -0.41 0.00 0.00 54.97 53.68 3h7b s GLU 222 Cb 0.00 -2.93 -0.18 0.00 -1.78 0.00 0.00 34.13 29.24 3h7b s GLU 222 CO 0.00 0.49 0.97 -3.47 -0.49 0.00 0.00 175.26 172.76 3h7b n ASP 223 N -0.54 -0.02 -0.57 -0.19 -0.08 -1.26 -1.78 116.55 112.11 3h7b n ASP 223 Ca -0.06 1.06 0.05 0.00 -1.51 0.00 0.00 54.79 54.33 3h7b n ASP 223 Cb 0.54 -0.84 0.09 0.00 2.34 0.00 0.00 41.12 43.25 3h7b n ASP 223 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h7b n GLN 224 N 1.36 0.73 -0.20 -0.67 1.13 -1.23 -4.68 117.38 113.82 3h7b n GLN 224 Ca 0.18 -2.15 -0.04 0.00 -1.94 0.00 0.00 57.00 53.05 3h7b n GLN 224 Cb 0.07 -0.95 0.06 0.00 0.11 0.00 0.00 30.24 29.53 3h7b n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3h7b h THR 225 N 3.57 1.04 0.00 5.09 2.02 -1.92 -0.83 112.91 121.87 3h7b h THR 225 Ca -0.04 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3h7b h THR 225 Cb 1.28 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3h7b h THR 225 CO 0.02 0.12 0.00 1.56 0.37 0.00 0.00 175.52 177.59 3h7b h GLN 226 N 0.68 0.00 -0.44 6.66 4.20 -2.00 -2.77 115.11 121.44 3h7b h GLN 226 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3h7b h GLN 226 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3h7b h GLN 226 CO -0.12 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.79 3h7b n ASP 227 N -2.48 3.19 -4.50 1.46 8.00 -0.40 -4.96 116.55 116.85 3h7b n ASP 227 Ca 0.02 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.19 3h7b n ASP 227 Cb 0.29 -0.30 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 3h7b n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h7b s THR 228 N -1.00 3.97 -0.22 -3.53 2.01 -0.71 -4.51 115.64 111.64 3h7b s THR 228 Ca 0.30 -0.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 3h7b s THR 228 Cb 0.16 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 3h7b s THR 228 CO 0.20 0.48 0.68 -0.70 -0.69 0.00 0.00 174.62 174.60 3h7b s GLU 229 N 0.45 4.18 -0.16 4.92 2.12 0.73 -4.90 118.70 126.05 3h7b s GLU 229 Ca -0.03 0.69 0.01 0.00 0.36 0.00 0.00 54.97 56.00 3h7b s GLU 229 Cb -0.14 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.66 3h7b s GLU 229 CO 0.03 -0.35 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.04 3h7b s LEU 230 N 2.27 1.97 0.39 2.70 2.96 -1.26 -0.19 118.68 127.52 3h7b s LEU 230 Ca 0.30 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3h7b s LEU 230 Cb -0.16 -1.36 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 3h7b s LEU 230 CO 0.09 0.00 0.69 0.68 -1.32 0.00 0.00 176.35 176.50 3h7b s VAL 231 N 1.22 4.92 0.51 1.68 -7.23 -1.01 -5.04 120.40 115.44 3h7b s VAL 231 Ca 0.01 0.24 -0.22 0.00 -1.81 0.00 0.00 61.98 60.21 3h7b s VAL 231 Cb -0.14 -3.78 -0.06 0.00 0.56 0.00 0.00 36.38 32.96 3h7b s VAL 231 CO -0.09 -0.56 1.25 -1.61 -0.31 0.00 0.00 175.10 173.78 3h7b s GLU 232 N -4.06 3.43 0.27 4.82 0.41 -1.26 -4.66 118.70 117.65 3h7b s GLU 232 Ca 0.47 1.98 -0.30 0.00 -0.41 0.00 0.00 54.97 56.71 3h7b s GLU 232 Cb -0.10 -2.31 -0.11 0.00 -1.78 0.00 0.00 34.13 29.83 3h7b s GLU 232 CO 0.35 -0.88 1.55 0.99 -0.49 0.00 0.00 175.26 176.78 3h7b s THR 233 N -1.44 2.28 -0.00 3.63 2.01 -1.26 -4.85 115.64 116.01 3h7b s THR 233 Ca 0.68 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.93 3h7b s THR 233 Cb -0.34 -3.15 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 3h7b s THR 233 CO 0.40 0.04 -0.04 0.00 -0.69 0.00 0.00 174.62 174.33 3h7b s ARG 234 N -0.35 0.33 0.11 4.92 1.70 -0.54 -4.97 118.95 120.15 3h7b s ARG 234 Ca 0.63 -0.18 -0.30 0.00 -0.47 0.00 0.00 55.73 55.40 3h7b s ARG 234 Cb -0.46 -0.31 -0.07 0.00 -0.57 0.00 0.00 34.95 33.55 3h7b s ARG 234 CO 0.45 0.08 1.24 -1.25 -1.08 0.00 0.00 175.30 174.74 3h7b s PRO 235 N -0.18 4.43 0.47 3.89 0.04 -1.26 -0.37 135.00 142.01 3h7b s PRO 235 Ca 0.01 1.86 0.25 0.00 0.04 0.00 0.00 61.00 63.16 3h7b s PRO 235 Cb -0.02 -3.29 1.11 0.00 0.04 0.00 0.00 34.50 32.34 3h7b s PRO 235 CO -0.00 -0.24 1.91 0.00 0.04 0.00 0.00 177.00 178.71 3h7b h ALA 236 N 6.30 1.10 0.00 8.56 0.00 -1.27 -3.47 119.26 130.49 3h7b h ALA 236 Ca -0.43 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3h7b h ALA 236 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h7b h ALA 236 CO 0.80 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.70 3h7b n GLY 237 N -0.15 0.17 0.63 0.00 0.00 -1.26 -4.92 105.19 99.67 3h7b n GLY 237 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3h7b n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h7b n ASP 238 N 0.00 3.16 0.00 1.61 5.75 -1.26 -4.95 116.55 120.87 3h7b n ASP 238 Ca 0.00 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 3h7b n ASP 238 Cb 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3h7b n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h7b n GLY 239 N -0.11 0.74 3.89 6.12 0.00 -1.26 -5.06 105.19 109.50 3h7b n GLY 239 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3h7b n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h7b s THR 240 N -2.64 2.74 0.18 2.61 -4.23 -1.26 -4.88 115.64 108.16 3h7b s THR 240 Ca 0.00 -1.30 0.10 0.00 -1.18 0.00 0.00 61.69 59.31 3h7b s THR 240 Cb 0.00 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 3h7b s THR 240 CO 0.00 -0.01 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.50 3h7b s PHE 241 N -2.45 2.03 0.11 3.99 0.08 0.07 -0.78 117.98 121.04 3h7b s PHE 241 Ca 0.49 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 57.19 3h7b s PHE 241 Cb -0.04 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 3h7b s PHE 241 CO 0.29 0.41 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.99 3h7b s GLN 242 N -2.72 1.04 -0.06 0.44 -0.21 0.50 -2.06 119.66 116.58 3h7b s GLN 242 Ca 0.18 -1.17 -0.23 0.00 0.02 0.00 0.00 55.36 54.16 3h7b s GLN 242 Cb -0.07 -1.10 0.05 0.00 1.00 0.00 0.00 33.01 32.89 3h7b s GLN 242 CO 0.08 0.24 0.51 0.21 -2.12 0.00 0.00 175.29 174.21 3h7b s LYS 243 N -2.22 0.84 0.11 2.91 2.20 -0.18 -1.47 119.74 121.92 3h7b s LYS 243 Ca 0.06 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 3h7b s LYS 243 Cb -0.08 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 3h7b s LYS 243 CO 0.04 -0.23 -0.09 1.67 -0.36 0.00 0.00 175.35 176.38 3h7b s TRP 244 N -1.01 1.06 -0.03 4.03 1.48 -1.26 -1.00 118.94 122.21 3h7b s TRP 244 Ca -0.10 -0.75 0.03 0.00 -1.06 0.00 0.00 56.10 54.22 3h7b s TRP 244 Cb -0.03 -0.58 0.00 0.00 -1.16 0.00 0.00 33.47 31.71 3h7b s TRP 244 CO 0.06 -0.02 -0.12 0.00 -4.06 0.00 0.00 176.95 172.82 3h7b s ALA 245 N -2.98 1.09 0.09 2.67 0.00 -0.53 -2.40 121.76 119.69 3h7b s ALA 245 Ca 0.10 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.67 3h7b s ALA 245 Cb 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 3h7b s ALA 245 CO -0.01 0.18 -0.15 0.00 0.00 0.00 0.00 175.76 175.77 3h7b s ALA 246 N 0.19 1.36 0.06 0.00 0.00 0.73 -0.12 121.76 123.98 3h7b s ALA 246 Ca -0.04 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.84 3h7b s ALA 246 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3h7b s ALA 246 CO 0.01 0.19 -0.10 0.14 0.00 0.00 0.00 175.76 176.00 3h7b s VAL 247 N -1.43 0.78 -0.20 0.00 -7.23 -0.44 -0.19 120.40 111.69 3h7b s VAL 247 Ca 0.02 -1.28 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 3h7b s VAL 247 Cb -0.09 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 3h7b s VAL 247 CO 0.03 -0.39 0.45 -0.69 -0.31 0.00 0.00 175.10 174.19 3h7b s VAL 248 N -1.64 5.16 -0.18 1.32 1.01 -1.26 -0.58 120.40 124.23 3h7b s VAL 248 Ca -0.04 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 3h7b s VAL 248 Cb -0.08 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3h7b s VAL 248 CO 0.01 0.22 -0.14 -0.69 0.00 0.00 0.00 175.10 174.50 3h7b s VAL 249 N 1.43 2.62 0.86 2.92 1.01 0.10 -4.94 120.40 124.40 3h7b s VAL 249 Ca 0.21 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3h7b s VAL 249 Cb -0.15 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.21 3h7b s VAL 249 CO 0.09 0.50 1.12 -2.84 0.00 0.00 0.00 175.10 173.97 3h7b s PRO 250 N 1.16 1.52 -0.45 2.72 0.02 -1.26 -0.90 135.00 137.80 3h7b s PRO 250 Ca 0.01 1.36 -0.44 0.00 0.02 0.00 0.00 61.00 61.95 3h7b s PRO 250 Cb -0.14 -1.80 -0.18 0.00 0.02 0.00 0.00 34.50 32.40 3h7b s PRO 250 CO -0.06 -2.22 1.83 0.43 -0.33 0.00 0.00 177.00 176.65 3h7b n SER 251 N -3.94 1.33 -0.40 2.53 7.64 -0.49 -1.67 113.62 118.63 3h7b n SER 251 Ca 0.10 0.96 -0.05 0.00 1.01 0.00 0.00 58.87 60.89 3h7b n SER 251 Cb 0.53 -0.96 -0.02 0.00 -1.01 0.00 0.00 64.21 62.75 3h7b n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h7b n GLY 252 N 5.27 0.78 0.79 0.23 0.00 -1.26 -4.90 105.19 106.09 3h7b n GLY 252 Ca 0.38 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.78 3h7b n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h7b n GLN 253 N -2.70 2.92 -0.26 1.61 6.02 -0.67 -4.69 117.38 119.60 3h7b n GLN 253 Ca -0.05 -2.27 0.06 0.00 -0.01 0.00 0.00 57.00 54.73 3h7b n GLN 253 Cb 0.19 -1.42 0.30 0.00 1.02 0.00 0.00 30.24 30.33 3h7b n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3h7b h GLU 254 N 2.28 0.85 0.00 -1.09 3.07 -1.91 -1.46 114.58 116.32 3h7b h GLU 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3h7b h GLU 254 Cb 0.90 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 3h7b h GLU 254 CO 0.05 0.57 0.00 0.00 -1.40 0.00 0.00 179.01 178.22 3h7b n GLN 255 N -4.51 0.13 0.19 2.33 0.00 -1.26 -2.10 117.38 112.16 3h7b n GLN 255 Ca 0.14 0.42 0.12 0.00 0.00 0.00 0.00 57.00 57.68 3h7b n GLN 255 Cb 0.27 -1.77 0.21 0.00 0.00 0.00 0.00 30.24 28.95 3h7b n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h7b h ARG 256 N 0.00 0.00 -5.53 2.61 3.08 -1.62 -3.46 114.38 109.45 3h7b h ARG 256 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3h7b h ARG 256 Cb 0.25 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 3h7b h ARG 256 CO 0.00 0.00 -0.49 0.71 -1.07 0.00 0.00 179.97 179.12 3h7b s TYR 257 N -3.19 3.52 0.00 3.04 1.51 -0.89 0.04 117.35 121.37 3h7b s TYR 257 Ca 0.07 0.45 0.05 0.00 -1.01 0.00 0.00 57.07 56.63 3h7b s TYR 257 Cb 0.07 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3h7b s TYR 257 CO 0.66 0.58 -0.16 0.95 -1.11 0.00 0.00 175.55 176.47 3h7b s THR 258 N -0.58 1.25 -0.15 -0.71 -4.23 -0.66 -4.27 115.64 106.28 3h7b s THR 258 Ca 0.13 -0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 3h7b s THR 258 Cb -0.12 -1.06 -0.05 0.00 1.34 0.00 0.00 72.50 72.61 3h7b s THR 258 CO 0.02 0.27 0.22 0.00 -0.54 0.00 0.00 174.62 174.59 3h7b s HIS 260 N 0.01 2.75 -0.10 0.00 3.76 0.60 -0.29 115.29 122.02 3h7b s HIS 260 Ca 0.14 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3h7b s HIS 260 Cb -0.12 -1.79 0.02 0.00 1.11 0.00 0.00 32.58 31.79 3h7b s HIS 260 CO 0.03 -0.21 -0.11 0.08 -0.85 0.00 0.00 174.74 173.67 3h7b s VAL 261 N 0.24 1.18 -0.04 -0.90 1.01 -0.46 -1.42 120.40 120.01 3h7b s VAL 261 Ca -0.10 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3h7b s VAL 261 Cb -0.16 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3h7b s VAL 261 CO 0.06 0.38 -0.23 -1.10 0.00 0.00 0.00 175.10 174.21 3h7b s GLN 262 N 1.16 2.12 -0.05 2.72 -0.21 -0.17 -1.44 119.66 123.79 3h7b s GLN 262 Ca -0.05 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.23 3h7b s GLN 262 Cb -0.14 -1.89 0.09 0.00 1.00 0.00 0.00 33.01 32.06 3h7b s GLN 262 CO -0.03 0.39 0.76 -1.58 -2.12 0.00 0.00 175.29 172.72 3h7b s HIS 263 N -0.26 -0.55 0.49 0.91 2.46 -1.26 -1.65 115.29 115.42 3h7b s HIS 263 Ca 0.01 0.86 0.20 0.00 0.47 0.00 0.00 55.06 56.60 3h7b s HIS 263 Cb -0.11 0.44 1.29 0.00 -0.13 0.00 0.00 32.58 34.07 3h7b s HIS 263 CO 0.02 -0.57 2.09 1.49 -2.47 0.00 0.00 174.74 175.30 3h7b h GLU 264 N 2.71 0.00 0.00 2.88 4.81 -1.94 -2.35 114.58 120.69 3h7b h GLU 264 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3h7b h GLU 264 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3h7b h GLU 264 CO 0.36 0.09 0.00 0.41 -0.73 0.00 0.00 179.01 179.15 3h7b n GLY 265 N -1.15 -0.84 3.43 1.92 0.00 -1.26 -4.74 105.19 102.55 3h7b n GLY 265 Ca -0.03 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3h7b n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h7b s LEU 266 N -2.82 3.28 0.30 0.99 1.43 -0.89 -4.34 118.68 116.63 3h7b s LEU 266 Ca 0.09 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3h7b s LEU 266 Cb 0.08 -1.85 0.55 0.00 0.03 0.00 0.00 46.19 45.00 3h7b s LEU 266 CO 0.22 0.02 1.88 1.55 0.23 0.00 0.00 176.35 180.25 3h7b h PRO 267 N 7.79 0.98 -4.45 1.29 0.13 -1.87 -3.41 132.00 132.46 3h7b h PRO 267 Ca -0.37 -0.06 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 3h7b h PRO 267 Cb 1.17 -0.22 -0.22 0.00 0.13 0.00 0.00 31.00 31.86 3h7b h PRO 267 CO 0.60 0.65 -0.73 -1.59 -0.23 0.00 0.00 178.00 176.70 3h7b s LYS 268 N -5.92 0.48 0.53 0.86 -2.85 -1.26 -5.14 119.74 106.45 3h7b s LYS 268 Ca -0.12 -0.65 -0.21 0.00 -1.00 0.00 0.00 55.97 53.99 3h7b s LYS 268 Cb 0.21 -0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 35.66 3h7b s LYS 268 CO 0.80 0.05 1.17 -0.35 0.10 0.00 0.00 175.35 177.12 3h7b n PRO 269 N 1.71 1.41 -3.45 1.78 -0.04 -1.26 -4.99 135.00 130.15 3h7b n PRO 269 Ca -0.21 0.52 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 3h7b n PRO 269 Cb 0.55 -2.35 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 3h7b n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h7b s LEU 270 N -2.41 4.46 -0.19 1.53 1.43 -0.52 -4.94 118.68 118.03 3h7b s LEU 270 Ca 0.71 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 3h7b s LEU 270 Cb -0.45 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.05 3h7b s LEU 270 CO 0.50 0.27 -0.12 -0.89 0.23 0.00 0.00 176.35 176.35 3h7b s THR 271 N -1.16 1.73 0.10 5.49 2.01 -1.26 -1.35 115.64 121.19 3h7b s THR 271 Ca 0.27 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.34 3h7b s THR 271 Cb -0.17 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 3h7b s THR 271 CO 0.16 0.24 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.48 3h7b s LEU 272 N 1.37 3.10 -0.08 4.42 1.43 0.60 -4.93 118.68 124.58 3h7b s LEU 272 Ca -0.00 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3h7b s LEU 272 Cb -0.16 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.22 3h7b s LEU 272 CO -0.09 0.18 0.20 -0.60 0.23 0.00 0.00 176.35 176.27 3h7b s ARG 273 N -2.23 0.17 -0.26 1.70 3.52 -1.26 -0.66 118.95 119.94 3h7b s ARG 273 Ca 0.22 0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 55.94 3h7b s ARG 273 Cb -0.11 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 3h7b s ARG 273 CO 0.14 -0.13 1.54 -0.46 -0.81 0.00 0.00 175.30 175.59 3h7b s TRP 274 N 0.95 2.24 0.00 5.12 -0.11 -1.26 -5.06 118.94 120.81 3h7b s TRP 274 Ca -0.07 0.63 0.00 0.00 1.22 0.00 0.00 56.10 57.88 3h7b s TRP 274 Cb -0.09 -3.99 0.00 0.00 -1.50 0.00 0.00 33.47 27.89 3h7b s TRP 274 CO -0.06 -2.60 0.00 -0.85 -4.62 0.00 0.00 176.95 168.82