#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgt s SER 2 N 0.00 6.41 0.10 1.61 0.01 -1.26 -3.58 113.70 116.99 3mgt s SER 2 Ca 0.00 1.46 -0.05 0.00 1.31 0.00 0.00 55.95 58.67 3mgt s SER 2 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 3mgt s SER 2 CO 0.00 -0.72 0.12 -1.00 0.41 0.00 0.00 173.24 172.05 3mgt s HIS 3 N -2.90 0.40 0.04 2.43 4.02 0.03 -4.95 115.29 114.37 3mgt s HIS 3 Ca 0.56 -0.85 -0.09 0.00 1.02 0.00 0.00 55.06 55.70 3mgt s HIS 3 Cb -0.10 -0.22 0.00 0.00 -1.02 0.00 0.00 32.58 31.24 3mgt s HIS 3 CO 0.43 -0.52 0.18 -1.54 1.02 0.00 0.00 174.74 174.31 3mgt s SER 4 N -2.92 0.06 -0.06 1.40 1.04 -1.26 0.11 113.70 112.06 3mgt s SER 4 Ca 0.10 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.20 3mgt s SER 4 Cb 0.06 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3mgt s SER 4 CO -0.07 -0.54 -0.22 -0.32 0.98 0.00 0.00 173.24 173.07 3mgt s MET 5 N -2.53 2.29 -0.02 4.02 0.00 -0.49 -0.73 119.30 121.85 3mgt s MET 5 Ca -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 55.69 54.86 3mgt s MET 5 Cb -0.01 -1.94 0.01 0.00 0.00 0.00 0.00 34.83 32.88 3mgt s MET 5 CO -0.04 0.31 -0.05 1.03 0.00 0.00 0.00 175.02 176.28 3mgt s ARG 6 N -0.05 0.55 -0.10 4.11 1.81 -0.16 -1.73 118.95 123.38 3mgt s ARG 6 Ca -0.05 -0.14 0.01 0.00 -1.72 0.00 0.00 55.73 53.83 3mgt s ARG 6 Cb -0.13 -0.56 -0.02 0.00 -0.45 0.00 0.00 34.95 33.79 3mgt s ARG 6 CO 0.03 0.04 -0.13 0.71 -0.68 0.00 0.00 175.30 175.27 3mgt s TYR 7 N 0.30 2.79 -0.10 -0.53 2.02 -0.16 0.10 117.35 121.76 3mgt s TYR 7 Ca -0.03 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3mgt s TYR 7 Cb -0.07 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.71 3mgt s TYR 7 CO -0.00 -0.04 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.67 3mgt s PHE 8 N -0.08 2.61 -0.10 2.71 0.08 0.10 -2.29 117.98 121.02 3mgt s PHE 8 Ca -0.02 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.15 3mgt s PHE 8 Cb -0.14 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3mgt s PHE 8 CO 0.04 -0.34 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.57 3mgt s PHE 9 N 0.27 2.15 -0.16 0.36 0.08 0.27 -1.35 117.98 119.60 3mgt s PHE 9 Ca -0.15 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 55.99 3mgt s PHE 9 Cb -0.17 -1.49 0.02 0.00 -0.57 0.00 0.00 43.02 40.81 3mgt s PHE 9 CO 0.08 -0.41 -0.19 0.99 -0.10 0.00 0.00 175.22 175.59 3mgt s THR 10 N 0.61 1.90 -0.22 0.64 2.01 0.17 -1.45 115.64 119.30 3mgt s THR 10 Ca -0.14 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.03 3mgt s THR 10 Cb -0.17 -1.73 0.05 0.00 0.01 0.00 0.00 72.50 70.66 3mgt s THR 10 CO 0.04 0.52 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.81 3mgt s SER 11 N 1.23 3.85 -0.21 3.53 0.15 0.50 -1.01 113.70 121.75 3mgt s SER 11 Ca 0.02 -1.08 0.02 0.00 0.70 0.00 0.00 55.95 55.60 3mgt s SER 11 Cb -0.14 -1.45 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 3mgt s SER 11 CO -0.10 -0.13 -0.16 -0.69 1.20 0.00 0.00 173.24 173.36 3mgt s VAL 12 N 1.23 2.15 0.59 4.45 1.01 -0.18 -0.25 120.40 129.39 3mgt s VAL 12 Ca -0.04 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 3mgt s VAL 12 Cb -0.17 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3mgt s VAL 12 CO -0.08 0.32 1.19 -0.94 0.00 0.00 0.00 175.10 175.59 3mgt s SER 13 N 1.22 5.27 -0.45 3.32 1.04 -0.59 -1.08 113.70 122.43 3mgt s SER 13 Ca -0.00 2.35 0.06 0.00 0.48 0.00 0.00 55.95 58.83 3mgt s SER 13 Cb -0.16 -2.60 0.20 0.00 0.10 0.00 0.00 66.02 63.57 3mgt s SER 13 CO -0.10 -1.54 0.44 0.54 0.98 0.00 0.00 173.24 173.57 3mgt n ARG 14 N -1.56 0.68 -1.60 4.02 1.74 -1.26 -4.19 116.66 114.49 3mgt n ARG 14 Ca 0.13 -3.43 -0.51 0.00 -0.77 0.00 0.00 57.85 53.28 3mgt n ARG 14 Cb 0.50 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3mgt n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3mgt n PRO 15 N 2.16 1.27 -0.95 5.56 -0.02 -1.26 -0.88 135.00 140.88 3mgt n PRO 15 Ca 0.26 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3mgt n PRO 15 Cb 0.48 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3mgt n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgt n GLY 16 N 2.58 0.38 0.20 -1.23 0.00 -1.26 -4.80 105.19 101.06 3mgt n GLY 16 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3mgt n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgt n ARG 17 N -1.56 0.95 0.00 1.61 1.74 -0.06 -5.12 116.66 114.23 3mgt n ARG 17 Ca 0.00 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 3mgt n ARG 17 Cb 0.15 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3mgt n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgt n GLY 18 N -0.80 0.69 3.77 -0.13 0.00 -1.22 -4.93 105.19 102.57 3mgt n GLY 18 Ca 0.08 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 3mgt n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mgt s GLU 19 N 0.00 4.04 0.55 1.61 8.01 -1.26 -4.61 118.70 127.03 3mgt s GLU 19 Ca 0.00 1.90 -0.21 0.00 0.01 0.00 0.00 54.97 56.67 3mgt s GLU 19 Cb 0.00 -2.69 -0.05 0.00 -4.31 0.00 0.00 34.13 27.08 3mgt s GLU 19 CO 0.00 -0.35 1.24 -2.14 0.01 0.00 0.00 175.26 174.02 3mgt s PRO 20 N -2.28 3.22 0.21 0.39 0.02 -1.26 -4.68 135.00 130.62 3mgt s PRO 20 Ca 0.57 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 3mgt s PRO 20 Cb -0.32 -2.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.96 3mgt s PRO 20 CO 0.40 -1.04 1.33 0.50 -0.33 0.00 0.00 177.00 177.86 3mgt s ARG 21 N -3.04 4.37 -0.18 5.54 6.06 -0.24 -4.86 118.95 126.60 3mgt s ARG 21 Ca 0.72 2.09 -0.02 0.00 -2.50 0.00 0.00 55.73 56.02 3mgt s ARG 21 Cb -0.33 -3.18 0.05 0.00 0.06 0.00 0.00 34.95 31.56 3mgt s ARG 21 CO 0.38 -0.27 0.01 0.12 -2.50 0.00 0.00 175.30 173.04 3mgt s PHE 22 N 0.04 1.14 -0.12 5.12 5.36 -1.26 -1.01 117.98 127.25 3mgt s PHE 22 Ca 0.57 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3mgt s PHE 22 Cb -0.37 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.22 3mgt s PHE 22 CO 0.39 -0.58 -0.12 0.42 -1.46 0.00 0.00 175.22 173.87 3mgt s ILE 23 N 1.82 3.16 -0.05 3.12 -1.09 -0.18 -1.72 121.20 126.26 3mgt s ILE 23 Ca -0.00 -0.63 0.05 0.00 -2.23 0.00 0.00 60.65 57.83 3mgt s ILE 23 Cb -0.16 -2.32 -0.00 0.00 -1.58 0.00 0.00 42.46 38.39 3mgt s ILE 23 CO -0.07 0.53 -0.19 0.00 -1.23 0.00 0.00 174.94 173.98 3mgt s ALA 24 N 0.17 1.64 0.02 9.38 0.00 -0.04 -0.66 121.76 132.27 3mgt s ALA 24 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3mgt s ALA 24 Cb -0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3mgt s ALA 24 CO 0.05 0.30 -0.08 0.14 0.00 0.00 0.00 175.76 176.17 3mgt s VAL 25 N -0.01 0.61 -0.05 0.00 -7.23 -0.46 -0.48 120.40 112.77 3mgt s VAL 25 Ca -0.04 -0.71 0.04 0.00 -1.81 0.00 0.00 61.98 59.46 3mgt s VAL 25 Cb -0.12 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 3mgt s VAL 25 CO 0.02 -0.10 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.72 3mgt s GLY 26 N -0.89 1.48 0.02 2.32 0.00 -0.57 -0.72 107.32 108.96 3mgt s GLY 26 Ca -0.03 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 43.76 3mgt s GLY 26 CO 0.00 -0.72 -0.19 -0.19 0.00 0.00 0.00 173.10 172.00 3mgt s TYR 27 N -0.55 1.70 -0.22 1.90 1.51 0.11 -0.94 117.35 120.86 3mgt s TYR 27 Ca 0.08 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 55.75 3mgt s TYR 27 Cb -0.11 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 3mgt s TYR 27 CO 0.01 0.03 -0.04 0.08 -1.11 0.00 0.00 175.55 174.53 3mgt s VAL 28 N -0.65 3.39 0.00 0.71 1.01 0.15 -0.98 120.40 124.03 3mgt s VAL 28 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3mgt s VAL 28 Cb -0.08 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3mgt s VAL 28 CO 0.01 0.40 0.00 0.47 0.00 0.00 0.00 175.10 175.98 3mgt n ASP 29 N 4.80 0.00 -1.70 3.32 8.00 0.09 -0.83 116.55 130.22 3mgt n ASP 29 Ca -0.18 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.25 3mgt n ASP 29 Cb 0.51 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.85 3mgt n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mgt n ASP 30 N 5.26 3.92 -3.99 -2.24 8.00 -1.26 -4.88 116.55 121.36 3mgt n ASP 30 Ca 0.00 -3.41 -0.30 0.00 0.71 0.00 0.00 54.79 51.78 3mgt n ASP 30 Cb 0.00 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.23 3mgt n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgt s THR 31 N -3.10 1.63 0.41 -3.53 2.01 -0.01 -5.02 115.64 108.04 3mgt s THR 31 Ca 0.51 -1.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 3mgt s THR 31 Cb 0.43 -1.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.12 3mgt s THR 31 CO 0.09 0.13 1.23 -1.58 -0.69 0.00 0.00 174.62 173.81 3mgt s GLN 32 N 1.39 3.97 0.00 4.92 0.74 -1.26 -0.67 119.66 128.75 3mgt s GLN 32 Ca -0.02 1.99 0.00 0.00 0.05 0.00 0.00 55.36 57.38 3mgt s GLN 32 Cb -0.17 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.26 3mgt s GLN 32 CO -0.08 -0.44 0.00 1.97 -0.55 0.00 0.00 175.29 176.19 3mgt n PHE 33 N 0.04 0.00 -4.05 1.67 -1.74 -0.11 -4.16 117.46 109.10 3mgt n PHE 33 Ca 0.04 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.85 3mgt n PHE 33 Cb 0.45 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.36 3mgt n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3mgt s VAL 34 N -0.95 0.18 0.16 1.97 -7.23 -1.22 -0.04 120.40 113.26 3mgt s VAL 34 Ca 0.00 -1.70 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 3mgt s VAL 34 Cb 0.00 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.35 3mgt s VAL 34 CO 0.00 -0.80 0.40 0.00 -0.31 0.00 0.00 175.10 174.40 3mgt s ARG 35 N -3.94 1.19 -0.15 4.82 1.70 -0.64 -1.51 118.95 120.42 3mgt s ARG 35 Ca 0.11 -0.89 -0.08 0.00 -0.47 0.00 0.00 55.73 54.39 3mgt s ARG 35 Cb 0.07 0.46 0.06 0.00 -0.57 0.00 0.00 34.95 34.97 3mgt s ARG 35 CO -0.07 -0.47 0.36 0.12 -1.08 0.00 0.00 175.30 174.15 3mgt s PHE 36 N -3.87 -0.52 -0.15 5.89 5.36 0.37 -0.79 117.98 124.26 3mgt s PHE 36 Ca 0.09 1.14 -0.00 0.00 -0.96 0.00 0.00 56.93 57.20 3mgt s PHE 36 Cb 0.01 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.92 3mgt s PHE 36 CO -0.06 -0.32 -0.09 0.34 -1.46 0.00 0.00 175.22 173.64 3mgt s ASP 37 N 1.42 2.69 0.52 6.13 -1.08 -1.26 -0.86 116.67 124.22 3mgt s ASP 37 Ca -0.09 -0.55 0.20 0.00 -0.52 0.00 0.00 52.55 51.59 3mgt s ASP 37 Cb -0.09 -1.00 1.36 0.00 -1.46 0.00 0.00 42.92 41.73 3mgt s ASP 37 CO -0.11 -0.13 2.14 0.77 0.52 0.00 0.00 175.17 178.35 3mgt h SER 38 N 8.10 0.00 0.29 -0.34 4.64 -1.73 -0.34 113.55 124.17 3mgt h SER 38 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3mgt h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3mgt h SER 38 CO 0.44 0.04 -0.08 0.47 -0.87 0.00 0.00 176.83 176.84 3mgt n ASP 39 N -4.28 0.47 -4.85 4.97 9.92 -1.26 -4.87 116.55 116.65 3mgt n ASP 39 Ca -0.03 -0.69 -0.31 0.00 -0.53 0.00 0.00 54.79 53.23 3mgt n ASP 39 Cb 0.13 -0.07 0.01 0.00 -0.64 0.00 0.00 41.12 40.55 3mgt n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mgt s ALA 40 N -2.37 3.00 0.12 2.24 0.00 -0.14 -5.00 121.76 119.62 3mgt s ALA 40 Ca 0.32 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 3mgt s ALA 40 Cb 0.20 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 20.10 3mgt s ALA 40 CO 0.45 -0.70 1.31 0.00 0.00 0.00 0.00 175.76 176.81 3mgt h ALA 41 N -0.12 0.35 -0.58 0.00 0.00 -1.89 -3.34 119.26 113.67 3mgt h ALA 41 Ca -0.45 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 53.87 3mgt h ALA 41 Cb 1.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3mgt h ALA 41 CO 0.61 0.72 0.33 0.66 0.00 0.00 0.00 179.25 181.57 3mgt h SER 42 N 0.40 0.50 -3.39 0.00 4.64 -1.94 -3.46 113.55 110.31 3mgt h SER 42 Ca -0.07 0.02 -0.35 0.00 -0.47 0.00 0.00 61.79 60.92 3mgt h SER 42 Cb 1.47 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 63.51 3mgt h SER 42 CO 0.16 0.34 -0.50 0.00 -0.87 0.00 0.00 176.83 175.97 3mgt n GLN 43 N -4.80 -3.20 -4.15 4.77 1.13 -1.26 -5.01 117.38 104.87 3mgt n GLN 43 Ca 0.06 0.81 -0.15 0.00 -1.94 0.00 0.00 57.00 55.78 3mgt n GLN 43 Cb 0.12 -5.36 -0.11 0.00 0.11 0.00 0.00 30.24 25.00 3mgt n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3mgt s ARG 44 N -5.30 0.76 0.28 -1.09 0.52 -1.26 -5.02 118.95 107.84 3mgt s ARG 44 Ca 0.17 -1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 54.08 3mgt s ARG 44 Cb -0.07 -0.55 -0.10 0.00 0.52 0.00 0.00 34.95 34.74 3mgt s ARG 44 CO 0.20 0.10 1.45 1.41 0.02 0.00 0.00 175.30 178.49 3mgt s MET 45 N -2.19 4.24 0.03 3.54 -2.45 -1.26 -4.71 119.30 116.50 3mgt s MET 45 Ca -0.01 2.36 0.07 0.00 -1.25 0.00 0.00 55.69 56.86 3mgt s MET 45 Cb -0.07 -3.08 -0.02 0.00 1.25 0.00 0.00 34.83 32.91 3mgt s MET 45 CO 0.01 -0.44 -0.19 -1.21 1.05 0.00 0.00 175.02 174.24 3mgt s GLU 46 N -0.71 1.33 0.40 4.11 2.02 0.03 -4.89 118.70 121.00 3mgt s GLU 46 Ca 0.58 -0.86 -0.26 0.00 0.02 0.00 0.00 54.97 54.45 3mgt s GLU 46 Cb -0.43 -1.40 -0.09 0.00 0.10 0.00 0.00 34.13 32.31 3mgt s GLU 46 CO 0.47 0.36 1.31 -1.25 0.02 0.00 0.00 175.26 176.17 3mgt s PRO 47 N -1.03 4.00 0.00 0.39 0.04 -1.26 -1.62 135.00 135.51 3mgt s PRO 47 Ca 0.06 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3mgt s PRO 47 Cb -0.08 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3mgt s PRO 47 CO 0.01 -0.47 0.52 0.54 0.04 0.00 0.00 177.00 177.64 3mgt n ARG 48 N 0.18 0.62 -4.11 4.56 5.12 0.94 -4.86 116.66 119.10 3mgt n ARG 48 Ca 0.03 -0.65 -0.15 0.00 -1.93 0.00 0.00 57.85 55.16 3mgt n ARG 48 Cb 0.43 -0.71 -0.13 0.00 -1.16 0.00 0.00 32.46 30.89 3mgt n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mgt s ALA 49 N -0.26 0.47 0.30 7.54 0.00 -1.22 -4.66 121.76 123.94 3mgt s ALA 49 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3mgt s ALA 49 Cb 0.00 -0.05 0.54 0.00 0.00 0.00 0.00 23.12 23.62 3mgt s ALA 49 CO 0.00 0.05 1.91 -1.35 0.00 0.00 0.00 175.76 176.37 3mgt h PRO 50 N 5.45 0.98 0.00 0.00 0.11 -1.94 -2.82 132.00 133.79 3mgt h PRO 50 Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3mgt h PRO 50 Cb 1.20 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3mgt h PRO 50 CO 0.47 0.65 0.00 -2.67 -0.21 0.00 0.00 178.00 176.24 3mgt n TRP 51 N -4.50 0.00 0.21 0.65 4.27 -1.26 -2.27 117.44 114.54 3mgt n TRP 51 Ca 0.14 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.77 3mgt n TRP 51 Cb 0.22 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.15 3mgt n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3mgt n ILE 52 N -0.80 0.00 0.02 -1.67 0.13 -1.06 -4.65 119.36 111.33 3mgt n ILE 52 Ca 0.13 -0.41 0.01 0.00 -1.10 0.00 0.00 62.75 61.38 3mgt n ILE 52 Cb 0.06 1.02 0.32 0.00 -0.84 0.00 0.00 39.64 40.20 3mgt n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3mgt h GLU 53 N 0.15 0.47 -0.66 9.51 5.08 -1.47 -2.82 114.58 124.84 3mgt h GLU 53 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3mgt h GLU 53 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3mgt h GLU 53 CO 0.00 0.51 0.00 1.04 -1.00 0.00 0.00 179.01 179.56 3mgt n GLN 54 N -4.29 3.55 -2.08 2.33 1.13 -1.26 -4.89 117.38 111.85 3mgt n GLN 54 Ca 0.01 -2.74 -0.39 0.00 -1.94 0.00 0.00 57.00 51.94 3mgt n GLN 54 Cb 0.24 -1.85 -0.00 0.00 0.11 0.00 0.00 30.24 28.73 3mgt n GLN 54 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3mgt s GLU 55 N -1.77 3.93 1.13 -1.09 2.56 -1.07 -4.97 118.70 117.43 3mgt s GLU 55 Ca 0.49 2.10 -0.13 0.00 0.00 0.00 0.00 54.97 57.43 3mgt s GLU 55 Cb 0.31 -2.71 0.25 0.00 2.00 0.00 0.00 34.13 33.98 3mgt s GLU 55 CO 0.25 -0.50 0.94 0.41 -0.56 0.00 0.00 175.26 175.80 3mgt n GLY 56 N 0.66 -1.81 0.27 -1.50 0.00 -1.26 -4.78 105.19 96.76 3mgt n GLY 56 Ca 0.04 -1.07 0.10 0.00 0.00 0.00 0.00 46.02 45.10 3mgt n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mgt h PRO 57 N -2.51 0.00 -0.48 1.61 0.13 -1.97 -2.01 132.00 126.77 3mgt h PRO 57 Ca -0.58 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 3mgt h PRO 57 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 3mgt h PRO 57 CO 0.47 0.04 0.26 1.49 -0.23 0.00 0.00 178.00 180.03 3mgt h GLU 58 N 0.00 0.67 0.11 0.86 4.22 -1.99 0.03 114.58 118.48 3mgt h GLU 58 Ca -0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 3mgt h GLU 58 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3mgt h GLU 58 CO 0.01 0.52 -0.08 -0.92 -2.18 0.00 0.00 179.01 176.36 3mgt h TYR 59 N 0.64 -0.21 -0.44 0.92 5.03 -1.69 -1.98 116.97 119.23 3mgt h TYR 59 Ca 0.17 -0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.35 3mgt h TYR 59 Cb 0.05 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 3mgt h TYR 59 CO -0.02 -0.13 -0.25 -1.49 -1.32 0.00 0.00 178.16 174.95 3mgt h TRP 60 N -0.20 1.06 -0.76 -3.82 4.06 -1.38 -0.93 115.95 113.99 3mgt h TRP 60 Ca -0.00 -0.26 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 3mgt h TRP 60 Cb 0.18 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.06 3mgt h TRP 60 CO -0.10 1.07 0.46 -0.44 -3.56 0.00 0.00 178.44 175.87 3mgt h ASP 61 N 0.79 0.91 -0.29 -3.49 5.19 -0.97 -0.58 116.42 117.98 3mgt h ASP 61 Ca 0.10 -0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.38 3mgt h ASP 61 Cb 0.81 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3mgt h ASP 61 CO 0.07 0.71 -0.07 1.23 -3.12 0.00 0.00 179.24 178.05 3mgt h GLY 62 N 1.04 0.61 1.62 2.75 0.00 -1.01 -0.51 103.07 107.58 3mgt h GLY 62 Ca 0.27 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 3mgt h GLY 62 CO -0.05 0.46 -0.33 0.83 0.00 0.00 0.00 176.54 177.45 3mgt h GLU 63 N 0.33 0.43 -0.36 4.80 4.39 -1.11 -1.61 114.58 121.45 3mgt h GLU 63 Ca 0.07 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 3mgt h GLU 63 Cb 0.56 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3mgt h GLU 63 CO 0.03 0.71 -0.01 1.15 -1.16 0.00 0.00 179.01 179.72 3mgt h THR 64 N 0.37 1.26 0.20 1.13 2.02 -0.96 -1.29 112.91 115.64 3mgt h THR 64 Ca 0.05 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3mgt h THR 64 Cb 0.76 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3mgt h THR 64 CO 0.06 0.34 -0.10 -0.09 0.37 0.00 0.00 175.52 176.10 3mgt h ARG 65 N 0.45 -0.26 -0.60 6.66 2.43 -0.93 -2.20 114.38 119.93 3mgt h ARG 65 Ca 0.10 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3mgt h ARG 65 Cb 0.48 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3mgt h ARG 65 CO 0.02 -0.15 0.11 0.87 -1.51 0.00 0.00 179.97 179.32 3mgt h LYS 66 N -0.31 0.95 0.00 0.20 1.57 -1.29 -2.51 116.57 115.18 3mgt h LYS 66 Ca -0.03 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 3mgt h LYS 66 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3mgt h LYS 66 CO 0.05 0.87 -0.39 -0.24 -0.57 0.00 0.00 179.45 179.17 3mgt h VAL 67 N 0.90 1.20 -0.19 0.50 3.04 -1.18 -0.90 116.25 119.63 3mgt h VAL 67 Ca 0.19 -1.36 -0.16 0.00 -1.01 0.00 0.00 66.70 64.36 3mgt h VAL 67 Cb 0.37 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 3mgt h VAL 67 CO 0.01 0.38 -0.53 0.11 -1.01 0.00 0.00 177.57 176.53 3mgt h LYS 68 N 0.00 0.54 -0.60 4.17 1.57 -1.08 -1.34 116.57 119.83 3mgt h LYS 68 Ca -0.00 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.36 3mgt h LYS 68 Cb 0.72 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3mgt h LYS 68 CO 0.05 0.94 0.07 0.00 -0.57 0.00 0.00 179.45 179.93 3mgt h ALA 69 N 1.00 0.97 -0.40 3.86 0.00 -0.97 -1.80 119.26 121.92 3mgt h ALA 69 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3mgt h ALA 69 Cb 1.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3mgt h ALA 69 CO 0.10 0.64 0.23 0.45 0.00 0.00 0.00 179.25 180.67 3mgt h HIS 70 N 0.94 0.43 -0.35 0.00 3.86 -0.98 -2.12 115.15 116.93 3mgt h HIS 70 Ca 0.18 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 3mgt h HIS 70 Cb 0.45 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 3mgt h HIS 70 CO 0.03 0.25 0.12 1.03 0.86 0.00 0.00 177.93 180.22 3mgt h SER 71 N 0.47 0.12 -0.29 2.45 0.87 -0.90 -2.11 113.55 114.16 3mgt h SER 71 Ca 0.16 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3mgt h SER 71 Cb 0.01 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3mgt h SER 71 CO -0.08 0.10 -0.04 1.56 -0.53 0.00 0.00 176.83 177.85 3mgt h GLN 72 N 0.26 0.66 -0.19 2.24 1.08 -1.14 -2.11 115.11 115.91 3mgt h GLN 72 Ca 0.16 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3mgt h GLN 72 Cb 0.14 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3mgt h GLN 72 CO -0.17 0.70 0.08 1.15 -0.95 0.00 0.00 178.83 179.64 3mgt h THR 73 N 0.61 1.16 -0.89 -0.54 2.02 -1.03 -2.96 112.91 111.28 3mgt h THR 73 Ca 0.12 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3mgt h THR 73 Cb 0.44 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3mgt h THR 73 CO 0.02 0.15 0.52 0.45 0.37 0.00 0.00 175.52 177.03 3mgt h HIS 74 N 0.16 1.19 -0.92 3.16 3.86 -1.13 -1.17 115.15 120.30 3mgt h HIS 74 Ca 0.06 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.36 3mgt h HIS 74 Cb 0.17 -0.39 -0.07 0.00 1.06 0.00 0.00 27.41 28.18 3mgt h HIS 74 CO -0.01 0.80 0.59 -0.09 0.86 0.00 0.00 177.93 180.08 3mgt h ARG 75 N 1.23 0.91 -0.08 2.45 2.43 -1.30 -0.84 114.38 119.18 3mgt h ARG 75 Ca 0.32 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 3mgt h ARG 75 Cb -0.02 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3mgt h ARG 75 CO -0.06 0.60 -0.61 0.28 -1.51 0.00 0.00 179.97 178.68 3mgt h VAL 76 N 0.94 1.36 -0.97 0.20 2.07 -1.25 -3.27 116.25 115.33 3mgt h VAL 76 Ca 0.43 -1.93 0.13 0.00 0.82 0.00 0.00 66.70 66.14 3mgt h VAL 76 Cb 0.39 2.25 -0.09 0.00 -1.52 0.00 0.00 31.29 32.32 3mgt h VAL 76 CO -0.19 0.58 0.60 0.44 0.02 0.00 0.00 177.57 179.02 3mgt h ASP 77 N 0.17 0.85 -0.87 0.57 3.32 -0.35 -0.42 116.42 119.70 3mgt h ASP 77 Ca -0.05 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.13 3mgt h ASP 77 Cb 1.27 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.64 3mgt h ASP 77 CO 0.12 0.44 0.53 -0.07 -1.72 0.00 0.00 179.24 178.54 3mgt h LEU 78 N 0.92 0.80 0.19 1.55 3.38 -1.24 0.64 115.31 121.56 3mgt h LEU 78 Ca 0.49 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 3mgt h LEU 78 Cb 0.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3mgt h LEU 78 CO -0.28 0.48 -0.09 1.23 0.09 0.00 0.00 178.44 179.87 3mgt h GLY 79 N 0.92 -0.27 0.28 0.83 0.00 -1.21 -1.87 103.07 101.75 3mgt h GLY 79 Ca 0.40 0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.96 3mgt h GLY 79 CO -0.21 -0.10 0.35 -0.84 0.00 0.00 0.00 176.54 175.74 3mgt h THR 80 N -0.53 0.74 -0.20 4.70 2.02 -0.80 -1.42 112.91 117.42 3mgt h THR 80 Ca -0.03 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 3mgt h THR 80 Cb 0.40 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3mgt h THR 80 CO 0.04 0.10 -0.44 -0.07 0.37 0.00 0.00 175.52 175.52 3mgt h LEU 81 N 0.54 0.54 -1.06 2.58 3.38 -0.86 -0.09 115.31 120.33 3mgt h LEU 81 Ca 0.40 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3mgt h LEU 81 Cb 0.54 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3mgt h LEU 81 CO -0.35 0.91 0.63 -0.09 0.09 0.00 0.00 178.44 179.63 3mgt h ARG 82 N 0.41 1.16 -0.07 1.13 2.43 -0.42 -2.47 114.38 116.55 3mgt h ARG 82 Ca 0.03 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 3mgt h ARG 82 Cb 0.94 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3mgt h ARG 82 CO 0.08 0.77 -0.59 0.78 -1.51 0.00 0.00 179.97 179.50 3mgt h GLY 83 N 1.19 0.58 0.52 2.80 0.00 -0.88 -0.86 103.07 106.42 3mgt h GLY 83 Ca 0.39 -0.88 0.16 0.00 0.00 0.00 0.00 47.33 47.00 3mgt h GLY 83 CO -0.13 0.78 0.56 -0.97 0.00 0.00 0.00 176.54 176.78 3mgt h TYR 84 N 0.10 0.68 -0.40 5.60 0.05 -0.77 -2.48 116.97 119.76 3mgt h TYR 84 Ca -0.05 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3mgt h TYR 84 Cb 1.25 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3mgt h TYR 84 CO 0.12 0.24 0.00 0.66 -1.05 0.00 0.00 178.16 178.13 3mgt n TYR 85 N -4.53 0.53 -3.98 4.88 4.01 -0.95 -4.89 117.16 112.22 3mgt n TYR 85 Ca 0.17 -0.45 -0.29 0.00 -0.16 0.00 0.00 57.90 57.16 3mgt n TYR 85 Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3mgt n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3mgt n ASN 86 N 0.78 -2.77 -4.90 7.72 4.13 -0.81 -4.96 115.26 114.44 3mgt n ASN 86 Ca 0.14 -0.90 -0.28 0.00 1.68 0.00 0.00 54.58 55.21 3mgt n ASN 86 Cb 0.46 -3.40 -0.03 0.00 -1.54 0.00 0.00 39.78 35.27 3mgt n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3mgt s GLN 87 N -6.59 3.63 0.79 3.52 -0.21 -0.39 -5.04 119.66 115.36 3mgt s GLN 87 Ca 0.43 0.05 -0.11 0.00 0.02 0.00 0.00 55.36 55.75 3mgt s GLN 87 Cb -0.22 -2.60 0.06 0.00 1.00 0.00 0.00 33.01 31.25 3mgt s GLN 87 CO 0.87 0.15 1.09 0.45 -2.12 0.00 0.00 175.29 175.73 3mgt s SER 88 N -3.28 4.39 0.00 5.90 0.15 -1.26 -4.81 113.70 114.78 3mgt s SER 88 Ca 0.45 1.79 0.24 0.00 0.70 0.00 0.00 55.95 59.12 3mgt s SER 88 Cb -0.11 -2.48 0.90 0.00 -1.71 0.00 0.00 66.02 62.63 3mgt s SER 88 CO 0.31 -2.11 1.64 1.21 1.20 0.00 0.00 173.24 175.50 3mgt n GLU 89 N -3.57 1.66 0.05 5.44 2.13 -1.26 -3.84 120.64 121.25 3mgt n GLU 89 Ca 0.09 -0.98 0.12 0.00 0.66 0.00 0.00 57.16 57.05 3mgt n GLU 89 Cb 0.53 -1.42 0.21 0.00 0.27 0.00 0.00 31.44 31.03 3mgt n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mgt n ALA 90 N 0.19 3.01 -2.86 4.31 0.00 -1.26 -4.68 120.51 119.21 3mgt n ALA 90 Ca 0.17 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 3mgt n ALA 90 Cb 0.32 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 3mgt n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mgt s GLY 91 N -3.51 2.20 0.00 0.00 0.00 -1.25 -4.78 107.32 99.99 3mgt s GLY 91 Ca 0.07 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 3mgt s GLY 91 CO 0.71 -0.59 0.78 -0.45 0.00 0.00 0.00 173.10 173.55 3mgt s SER 92 N -1.92 7.17 0.15 1.64 0.15 -1.26 -4.69 113.70 114.93 3mgt s SER 92 Ca 0.28 1.40 0.06 0.00 0.70 0.00 0.00 55.95 58.39 3mgt s SER 92 Cb -0.13 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3mgt s SER 92 CO 0.19 -0.07 -0.12 -1.00 1.20 0.00 0.00 173.24 173.43 3mgt s HIS 93 N 0.39 1.41 -0.12 3.44 3.76 -1.26 -4.96 115.29 117.95 3mgt s HIS 93 Ca 0.40 -0.64 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 3mgt s HIS 93 Cb -0.20 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 32.79 3mgt s HIS 93 CO 0.22 0.17 -0.22 0.99 -0.85 0.00 0.00 174.74 175.05 3mgt s THR 94 N -2.82 2.17 -0.14 1.30 2.01 -1.26 -1.54 115.64 115.35 3mgt s THR 94 Ca 0.15 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 3mgt s THR 94 Cb -0.01 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 3mgt s THR 94 CO 0.03 0.55 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 3mgt s VAL 95 N 0.56 3.37 0.06 3.82 1.01 0.66 -0.01 120.40 129.85 3mgt s VAL 95 Ca -0.13 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.39 3mgt s VAL 95 Cb -0.17 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3mgt s VAL 95 CO 0.04 0.51 -0.24 -1.10 0.00 0.00 0.00 175.10 174.31 3mgt s GLN 96 N 0.43 1.56 -0.01 2.72 -0.21 -0.43 -0.37 119.66 123.35 3mgt s GLN 96 Ca -0.07 -1.07 0.01 0.00 0.02 0.00 0.00 55.36 54.24 3mgt s GLN 96 Cb -0.15 -1.75 -0.00 0.00 1.00 0.00 0.00 33.01 32.11 3mgt s GLN 96 CO 0.04 0.44 -0.03 0.50 -2.12 0.00 0.00 175.29 174.12 3mgt s ARG 97 N -1.34 0.30 -0.00 2.91 3.52 -0.53 -0.88 118.95 122.93 3mgt s ARG 97 Ca 0.10 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3mgt s ARG 97 Cb -0.10 -0.30 -0.00 0.00 -1.56 0.00 0.00 34.95 32.99 3mgt s ARG 97 CO 0.02 0.06 -0.04 1.41 -0.81 0.00 0.00 175.30 175.94 3mgt s MET 98 N 0.01 0.33 0.10 5.12 -2.45 -0.45 -0.57 119.30 121.39 3mgt s MET 98 Ca 0.00 -0.18 -0.14 0.00 -1.25 0.00 0.00 55.69 54.12 3mgt s MET 98 Cb -0.02 -0.30 0.02 0.00 1.25 0.00 0.00 34.83 35.78 3mgt s MET 98 CO -0.00 0.08 0.33 1.52 1.05 0.00 0.00 175.02 178.00 3mgt s TYR 99 N -0.18 -0.11 -4.88 4.11 -0.85 -0.97 -1.03 117.35 113.44 3mgt s TYR 99 Ca 0.01 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 3mgt s TYR 99 Cb -0.02 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.47 3mgt s TYR 99 CO -0.00 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 173.82 3mgt n GLY 100 N -0.01 -1.95 3.12 5.49 0.00 -1.04 -0.99 105.19 109.82 3mgt n GLY 100 Ca -0.16 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 3mgt n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgt s ASP 102 N -2.33 4.15 0.12 0.00 1.01 0.79 -1.39 116.67 119.03 3mgt s ASP 102 Ca 0.01 -0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.18 3mgt s ASP 102 Cb -0.02 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 3mgt s ASP 102 CO -0.02 0.34 -0.18 0.68 0.21 0.00 0.00 175.17 176.20 3mgt s VAL 103 N -0.69 1.59 0.13 -1.27 -7.23 0.12 0.50 120.40 113.55 3mgt s VAL 103 Ca 0.11 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 3mgt s VAL 103 Cb -0.11 -1.58 0.03 0.00 0.56 0.00 0.00 36.38 35.28 3mgt s VAL 103 CO 0.01 -0.23 0.17 0.61 -0.31 0.00 0.00 175.10 175.35 3mgt n GLY 104 N 0.76 -1.06 0.28 2.32 0.00 -0.34 -0.79 105.19 106.35 3mgt n GLY 104 Ca -0.17 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.28 3mgt n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mgt h SER 105 N -0.22 0.00 -0.29 1.61 0.02 -1.90 0.10 113.55 112.87 3mgt h SER 105 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3mgt h SER 105 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3mgt h SER 105 CO 0.04 0.06 0.00 -0.90 -1.14 0.00 0.00 176.83 174.89 3mgt n ASP 106 N -3.88 1.65 -0.51 3.07 5.68 -1.26 -4.72 116.55 116.58 3mgt n ASP 106 Ca -0.03 -1.96 -0.07 0.00 -0.50 0.00 0.00 54.79 52.24 3mgt n ASP 106 Cb 0.15 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 3mgt n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3mgt n TRP 107 N 0.39 0.00 -3.15 2.11 7.02 0.36 -4.96 117.44 119.20 3mgt n TRP 107 Ca 0.11 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.25 3mgt n TRP 107 Cb 0.27 -2.23 -0.06 0.00 -2.42 0.00 0.00 31.31 26.87 3mgt n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3mgt s ARG 108 N -2.40 4.11 0.14 -0.99 0.52 -1.26 -4.73 118.95 114.35 3mgt s ARG 108 Ca 0.00 0.73 -0.34 0.00 -0.52 0.00 0.00 55.73 55.59 3mgt s ARG 108 Cb 0.00 -2.69 -0.15 0.00 0.52 0.00 0.00 34.95 32.63 3mgt s ARG 108 CO 0.00 0.30 1.52 0.34 0.02 0.00 0.00 175.30 177.48 3mgt n PHE 109 N 0.25 2.09 -0.04 -0.53 7.35 -1.26 -1.20 117.46 124.10 3mgt n PHE 109 Ca -0.00 0.36 -0.08 0.00 -0.76 0.00 0.00 57.45 56.97 3mgt n PHE 109 Cb 0.52 -2.49 -0.03 0.00 0.35 0.00 0.00 39.48 37.83 3mgt n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3mgt n LEU 110 N 3.17 1.46 -3.87 -2.13 4.32 0.18 -4.82 117.00 115.32 3mgt n LEU 110 Ca 0.17 0.23 -0.09 0.00 -0.02 0.00 0.00 56.01 56.31 3mgt n LEU 110 Cb 0.26 -0.54 -0.08 0.00 -1.62 0.00 0.00 43.42 41.45 3mgt n LEU 110 CO 0.63 -0.26 -0.11 -0.13 -1.22 0.00 0.00 177.39 176.30 3mgt s ARG 111 N -2.46 0.80 0.12 3.23 0.52 -1.11 -4.97 118.95 115.08 3mgt s ARG 111 Ca -0.18 -0.90 0.07 0.00 -0.52 0.00 0.00 55.73 54.20 3mgt s ARG 111 Cb 0.04 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.79 3mgt s ARG 111 CO 0.25 -0.24 -0.16 0.20 0.02 0.00 0.00 175.30 175.37 3mgt s GLY 112 N -2.69 1.16 0.06 -3.53 0.00 -1.26 -0.15 107.32 100.91 3mgt s GLY 112 Ca 0.03 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 43.47 3mgt s GLY 112 CO -0.09 -1.35 -0.09 -0.19 0.00 0.00 0.00 173.10 171.38 3mgt s TYR 113 N -1.86 0.83 -0.30 1.90 1.51 0.46 -4.86 117.35 115.03 3mgt s TYR 113 Ca 0.09 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 3mgt s TYR 113 Cb -0.06 -0.48 0.19 0.00 -0.11 0.00 0.00 41.96 41.49 3mgt s TYR 113 CO 0.04 -0.06 0.76 -1.58 -1.11 0.00 0.00 175.55 173.60 3mgt s HIS 114 N -1.69 -1.31 0.07 2.71 2.46 -1.26 -2.49 115.29 113.78 3mgt s HIS 114 Ca -0.05 0.97 -0.04 0.00 0.47 0.00 0.00 55.06 56.41 3mgt s HIS 114 Cb -0.08 0.30 -0.03 0.00 -0.13 0.00 0.00 32.58 32.65 3mgt s HIS 114 CO 0.00 -0.75 0.05 1.14 -2.47 0.00 0.00 174.74 172.72 3mgt s GLN 115 N 2.88 0.72 0.09 2.88 -2.07 -0.20 -1.08 119.66 122.88 3mgt s GLN 115 Ca 0.15 -1.15 0.05 0.00 -1.82 0.00 0.00 55.36 52.59 3mgt s GLN 115 Cb -0.09 0.26 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 3mgt s GLN 115 CO -0.22 -0.18 -0.14 0.71 -1.32 0.00 0.00 175.29 174.14 3mgt s TYR 116 N -3.91 1.28 0.01 9.60 1.51 0.45 -1.34 117.35 124.94 3mgt s TYR 116 Ca 0.08 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3mgt s TYR 116 Cb 0.07 -0.70 -0.01 0.00 -0.11 0.00 0.00 41.96 41.21 3mgt s TYR 116 CO -0.09 0.08 -0.05 0.00 -1.11 0.00 0.00 175.55 174.38 3mgt s ALA 117 N -1.61 0.38 -0.17 3.71 0.00 -0.06 -1.49 121.76 122.52 3mgt s ALA 117 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3mgt s ALA 117 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3mgt s ALA 117 CO 0.02 0.06 -0.16 -0.47 0.00 0.00 0.00 175.76 175.21 3mgt s TYR 118 N -0.39 2.79 -1.47 0.00 5.04 -0.10 -1.31 117.35 121.92 3mgt s TYR 118 Ca -0.01 -1.24 -0.04 0.00 -2.44 0.00 0.00 57.07 53.34 3mgt s TYR 118 Cb -0.04 -1.92 0.03 0.00 0.35 0.00 0.00 41.96 40.39 3mgt s TYR 118 CO -0.00 -0.60 0.48 -0.25 -1.34 0.00 0.00 175.55 173.85 3mgt n ASP 119 N 4.33 -0.92 0.00 4.32 8.00 0.98 -2.37 116.55 130.89 3mgt n ASP 119 Ca -0.20 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3mgt n ASP 119 Cb 0.51 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 3mgt n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgt n GLY 120 N -1.90 1.71 3.37 0.44 0.00 -1.26 -5.01 105.19 102.54 3mgt n GLY 120 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3mgt n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mgt s LYS 121 N -0.29 1.39 0.09 1.61 -2.85 -1.00 -5.08 119.74 113.63 3mgt s LYS 121 Ca 0.00 -1.29 -0.36 0.00 -1.00 0.00 0.00 55.97 53.33 3mgt s LYS 121 Cb 0.00 -1.82 -0.17 0.00 -2.06 0.00 0.00 37.83 33.78 3mgt s LYS 121 CO 0.00 0.43 1.13 -0.25 0.10 0.00 0.00 175.35 176.76 3mgt n ASP 122 N 1.05 0.75 0.02 0.03 8.00 -1.26 -0.92 116.55 124.22 3mgt n ASP 122 Ca -0.18 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.44 3mgt n ASP 122 Cb 0.53 -1.09 -0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3mgt n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mgt n TYR 123 N 1.66 0.00 -3.84 1.24 9.36 -0.55 -4.70 117.16 120.33 3mgt n TYR 123 Ca 0.18 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.28 3mgt n TYR 123 Cb 0.18 -0.08 -0.12 0.00 -0.63 0.00 0.00 39.34 38.68 3mgt n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3mgt s ILE 124 N -1.95 0.01 -0.04 2.97 2.07 -1.17 -4.09 121.20 119.00 3mgt s ILE 124 Ca -0.05 -0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.08 3mgt s ILE 124 Cb 0.01 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.42 3mgt s ILE 124 CO 0.07 -0.05 0.10 0.00 -1.91 0.00 0.00 174.94 173.14 3mgt s ALA 125 N -0.12 -0.16 0.22 1.50 0.00 -0.87 -0.41 121.76 121.91 3mgt s ALA 125 Ca -0.02 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 3mgt s ALA 125 Cb -0.02 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 3mgt s ALA 125 CO 0.00 -0.11 1.46 -1.17 0.00 0.00 0.00 175.76 175.95 3mgt s LEU 126 N 0.78 4.38 0.86 0.00 2.96 -0.24 -0.32 118.68 127.09 3mgt s LEU 126 Ca -0.06 2.62 -0.13 0.00 -0.22 0.00 0.00 54.13 56.34 3mgt s LEU 126 Cb -0.08 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.11 3mgt s LEU 126 CO -0.03 -0.72 1.19 -0.54 -1.32 0.00 0.00 176.35 174.92 3mgt s LYS 127 N 0.12 1.56 0.43 1.98 1.02 0.15 -4.63 119.74 120.36 3mgt s LYS 127 Ca 0.62 0.07 0.10 0.00 0.02 0.00 0.00 55.97 56.79 3mgt s LYS 127 Cb -0.42 -1.91 0.96 0.00 -0.52 0.00 0.00 37.83 35.95 3mgt s LYS 127 CO 0.39 -1.87 2.05 1.49 -0.92 0.00 0.00 175.35 176.49 3mgt h GLU 128 N -1.25 0.43 0.00 1.68 4.81 -1.89 0.05 114.58 118.41 3mgt h GLU 128 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3mgt h GLU 128 Cb 1.32 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3mgt h GLU 128 CO 0.61 0.29 0.00 -0.40 -0.73 0.00 0.00 179.01 178.77 3mgt n ASP 129 N -4.48 0.00 -1.74 1.04 5.68 -1.26 -4.81 116.55 110.98 3mgt n ASP 129 Ca 0.04 -0.04 -0.16 0.00 -0.50 0.00 0.00 54.79 54.13 3mgt n ASP 129 Cb 0.16 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 39.83 3mgt n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mgt n LEU 130 N -1.25 -1.29 0.00 -2.12 4.77 0.00 -4.75 117.00 112.36 3mgt n LEU 130 Ca 0.09 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3mgt n LEU 130 Cb 0.14 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 3mgt n LEU 130 CO 0.14 -0.67 -0.01 0.54 -1.33 0.00 0.00 177.39 176.06 3mgt n ARG 131 N -2.31 4.68 -4.18 3.23 1.74 -1.26 -4.66 116.66 113.89 3mgt n ARG 131 Ca -0.17 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.80 3mgt n ARG 131 Cb 0.57 -0.35 -0.10 0.00 -1.02 0.00 0.00 32.46 31.56 3mgt n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mgt s SER 132 N -0.70 0.93 0.02 0.55 1.04 -1.26 -5.01 113.70 109.27 3mgt s SER 132 Ca 0.00 -1.10 0.08 0.00 0.48 0.00 0.00 55.95 55.41 3mgt s SER 132 Cb 0.00 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 3mgt s SER 132 CO 0.00 -0.57 -0.23 0.26 0.98 0.00 0.00 173.24 173.68 3mgt s TRP 133 N -3.75 2.43 -0.37 5.02 0.52 -1.26 -0.68 118.94 120.85 3mgt s TRP 133 Ca 0.18 -0.35 -0.12 0.00 0.02 0.00 0.00 56.10 55.83 3mgt s TRP 133 Cb 0.06 -1.46 0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3mgt s TRP 133 CO -0.01 0.13 0.22 0.99 0.02 0.00 0.00 176.95 178.30 3mgt s THR 134 N -0.79 4.81 -0.10 2.01 2.01 0.56 -4.91 115.64 119.24 3mgt s THR 134 Ca 0.12 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.48 3mgt s THR 134 Cb -0.10 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3mgt s THR 134 CO 0.02 -0.18 -0.23 0.00 -0.69 0.00 0.00 174.62 173.54 3mgt s ALA 135 N 1.61 2.09 -0.18 7.40 0.00 -1.26 -2.05 121.76 129.37 3mgt s ALA 135 Ca 0.04 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 3mgt s ALA 135 Cb -0.19 -0.79 -0.16 0.00 0.00 0.00 0.00 23.12 21.98 3mgt s ALA 135 CO 0.08 0.27 0.23 0.00 0.00 0.00 0.00 175.76 176.34 3mgt h ALA 136 N 6.73 0.16 -4.56 0.00 0.00 -1.92 -3.46 119.26 116.21 3mgt h ALA 136 Ca -0.20 -0.89 -0.13 0.00 0.00 0.00 0.00 54.91 53.69 3mgt h ALA 136 Cb 1.24 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3mgt h ALA 136 CO 0.47 0.50 -0.04 -0.40 0.00 0.00 0.00 179.25 179.79 3mgt n ASP 137 N -4.52 0.88 -0.07 0.00 5.68 -1.26 -4.97 116.55 112.29 3mgt n ASP 137 Ca -0.22 -1.41 -0.15 0.00 -0.50 0.00 0.00 54.79 52.50 3mgt n ASP 137 Cb 0.53 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.40 3mgt n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3mgt h MET 138 N 0.00 0.86 0.42 0.11 2.86 -1.99 -1.79 114.93 115.41 3mgt h MET 138 Ca -0.07 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 56.97 3mgt h MET 138 Cb 0.31 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3mgt h MET 138 CO 0.11 1.21 -0.46 0.00 1.06 0.00 0.00 176.91 178.83 3mgt h ALA 139 N 0.65 -1.01 -0.92 6.32 0.00 -1.96 -1.07 119.26 121.28 3mgt h ALA 139 Ca -0.00 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.87 3mgt h ALA 139 Cb 1.22 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 19.61 3mgt h ALA 139 CO 0.13 -1.11 0.54 0.00 0.00 0.00 0.00 179.25 178.81 3mgt h ALA 140 N -0.65 1.38 -0.87 0.00 0.00 -1.84 -0.12 119.26 117.16 3mgt h ALA 140 Ca -0.04 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3mgt h ALA 140 Cb 0.81 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3mgt h ALA 140 CO -0.09 0.08 0.57 1.96 0.00 0.00 0.00 179.25 181.78 3mgt h GLN 141 N 0.82 1.04 -0.30 0.00 4.20 -0.82 0.29 115.11 120.35 3mgt h GLN 141 Ca 0.47 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 3mgt h GLN 141 Cb 0.54 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3mgt h GLN 141 CO -0.30 0.69 0.16 1.15 -0.67 0.00 0.00 178.83 179.87 3mgt h THR 142 N 1.07 1.13 -0.48 -0.54 2.02 0.27 -0.76 112.91 115.62 3mgt h THR 142 Ca 0.35 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 67.21 3mgt h THR 142 Cb 0.05 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3mgt h THR 142 CO -0.11 0.13 0.30 0.74 0.37 0.00 0.00 175.52 176.95 3mgt h THR 143 N 0.37 1.08 -0.89 3.16 2.02 -0.82 -2.27 112.91 115.55 3mgt h THR 143 Ca 0.11 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 67.19 3mgt h THR 143 Cb 0.06 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 66.82 3mgt h THR 143 CO -0.02 0.11 0.57 0.50 0.37 0.00 0.00 175.52 177.06 3mgt h LYS 144 N 0.61 0.78 -0.17 6.66 3.64 0.01 -1.46 116.57 126.64 3mgt h LYS 144 Ca 0.19 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3mgt h LYS 144 Cb -0.02 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3mgt h LYS 144 CO -0.07 0.51 -0.08 0.45 -2.27 0.00 0.00 179.45 178.00 3mgt h HIS 145 N 0.80 0.40 -0.66 1.91 3.86 -0.61 -0.95 115.15 119.90 3mgt h HIS 145 Ca 0.43 -0.10 0.14 0.00 -1.16 0.00 0.00 60.37 59.68 3mgt h HIS 145 Cb 0.54 -0.09 -0.11 0.00 1.06 0.00 0.00 27.41 28.81 3mgt h HIS 145 CO -0.00 0.66 0.07 0.87 0.86 0.00 0.00 177.93 180.39 3mgt h LYS 146 N 0.03 0.18 0.00 2.45 1.57 -0.88 -2.19 116.57 117.73 3mgt h LYS 146 Ca 0.04 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3mgt h LYS 146 Cb 0.55 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3mgt h LYS 146 CO 0.02 0.12 -0.77 -1.49 -0.57 0.00 0.00 179.45 176.76 3mgt h TRP 147 N 0.18 0.00 -0.50 -1.35 4.06 -1.08 -0.81 115.95 116.46 3mgt h TRP 147 Ca 0.36 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.19 3mgt h TRP 147 Cb 0.59 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 3mgt h TRP 147 CO -0.32 0.77 -0.14 0.93 -3.56 0.00 0.00 178.44 176.12 3mgt h GLU 148 N 0.00 0.95 0.00 0.49 5.08 -0.91 -0.56 114.58 119.63 3mgt h GLU 148 Ca -0.01 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 3mgt h GLU 148 Cb 1.42 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 3mgt h GLU 148 CO 0.10 1.02 -0.83 0.00 -1.00 0.00 0.00 179.01 178.30 3mgt h ALA 149 N 0.99 0.63 -0.03 3.43 0.00 -1.02 -2.91 119.26 120.35 3mgt h ALA 149 Ca 0.13 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3mgt h ALA 149 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3mgt h ALA 149 CO 0.05 1.00 0.00 0.00 0.00 0.00 0.00 179.25 180.30 3mgt n ALA 150 N -2.40 2.57 -3.88 0.00 0.00 -0.34 -4.94 120.51 111.51 3mgt n ALA 150 Ca -0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 3mgt n ALA 150 Cb 0.79 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 19.10 3mgt n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mgt n HIS 151 N 0.20 -2.00 -0.12 0.00 -0.00 -0.66 -4.89 115.22 107.74 3mgt n HIS 151 Ca 0.19 0.85 -0.08 0.00 -0.00 0.00 0.00 57.72 58.67 3mgt n HIS 151 Cb 0.36 -3.97 -0.00 0.00 -0.00 0.00 0.00 29.99 26.37 3mgt n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3mgt h VAL 152 N -1.91 1.11 -0.89 1.59 2.07 -1.43 -3.08 116.25 113.71 3mgt h VAL 152 Ca -0.60 -0.21 0.17 0.00 0.82 0.00 0.00 66.70 66.88 3mgt h VAL 152 Cb 1.37 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 31.60 3mgt h VAL 152 CO 0.64 0.10 0.46 0.00 0.02 0.00 0.00 177.57 178.79 3mgt h ALA 153 N 1.13 1.39 -0.53 1.67 0.00 -1.91 -1.18 119.26 119.84 3mgt h ALA 153 Ca 0.14 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3mgt h ALA 153 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3mgt h ALA 153 CO -0.03 -0.14 0.09 0.93 0.00 0.00 0.00 179.25 180.10 3mgt h GLU 154 N 0.60 0.88 -0.36 0.00 3.07 -1.80 0.11 114.58 117.08 3mgt h GLU 154 Ca 0.51 -0.23 -0.15 0.00 -0.50 0.00 0.00 59.36 58.98 3mgt h GLU 154 Cb 0.79 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 3mgt h GLU 154 CO -0.40 0.86 -0.36 1.96 -1.40 0.00 0.00 179.01 179.66 3mgt h GLN 155 N 0.76 0.88 -0.50 2.33 4.20 -1.43 -2.53 115.11 118.82 3mgt h GLN 155 Ca 0.16 -0.46 -0.06 0.00 0.06 0.00 0.00 58.65 58.34 3mgt h GLN 155 Cb 0.40 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3mgt h GLN 155 CO 0.01 1.11 0.05 -0.07 -0.67 0.00 0.00 178.83 179.26 3mgt h LEU 156 N 0.68 0.76 -0.72 1.46 3.38 -1.06 -2.73 115.31 117.09 3mgt h LEU 156 Ca 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3mgt h LEU 156 Cb 0.95 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3mgt h LEU 156 CO 0.09 0.80 0.34 -0.09 0.09 0.00 0.00 178.44 179.67 3mgt h ARG 157 N 0.76 1.04 -0.38 1.13 2.43 -0.65 -1.27 114.38 117.45 3mgt h ARG 157 Ca 0.16 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3mgt h ARG 157 Cb 0.39 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3mgt h ARG 157 CO 0.01 0.82 0.23 0.00 -1.51 0.00 0.00 179.97 179.52 3mgt h ALA 158 N 1.16 0.48 -0.43 2.80 0.00 -1.19 -1.55 119.26 120.53 3mgt h ALA 158 Ca 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3mgt h ALA 158 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3mgt h ALA 158 CO -0.03 -0.11 0.14 -0.92 0.00 0.00 0.00 179.25 178.33 3mgt h TYR 159 N 0.47 0.69 -0.45 0.00 3.20 -1.29 -0.18 116.97 119.40 3mgt h TYR 159 Ca 0.15 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3mgt h TYR 159 Cb -0.01 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3mgt h TYR 159 CO -0.07 0.63 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.91 3mgt h LEU 160 N 0.55 0.81 0.00 2.82 3.38 -0.91 0.18 115.31 122.14 3mgt h LEU 160 Ca 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3mgt h LEU 160 Cb 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3mgt h LEU 160 CO -0.00 0.93 -0.75 -0.62 0.09 0.00 0.00 178.44 178.08 3mgt n GLU 161 N -4.16 0.27 0.00 1.13 1.02 -0.61 -3.86 120.64 114.43 3mgt n GLU 161 Ca 0.02 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3mgt n GLU 161 Cb 0.37 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3mgt n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mgt n GLY 162 N 1.36 0.40 0.36 0.62 0.00 -0.08 -4.63 105.19 103.22 3mgt n GLY 162 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3mgt n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgt h THR 163 N 0.00 0.86 0.02 2.61 1.03 -1.65 0.13 112.91 115.92 3mgt h THR 163 Ca 0.00 -0.12 -0.00 0.00 -0.01 0.00 0.00 66.41 66.28 3mgt h THR 163 Cb 0.00 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 67.57 3mgt h THR 163 CO 0.00 0.06 -0.01 0.00 -0.01 0.00 0.00 175.52 175.56 3mgt h VAL 165 N -0.14 1.23 -0.64 0.00 2.07 -1.50 -1.54 116.25 115.74 3mgt h VAL 165 Ca -0.00 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 66.82 3mgt h VAL 165 Cb 0.13 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3mgt h VAL 165 CO 0.01 0.25 0.26 -0.08 0.02 0.00 0.00 177.57 178.02 3mgt h GLU 166 N 0.24 0.43 0.00 1.57 4.81 -0.64 -1.52 114.58 119.48 3mgt h GLU 166 Ca 0.08 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 3mgt h GLU 166 Cb 0.34 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3mgt h GLU 166 CO 0.01 0.29 -1.03 -1.49 -0.73 0.00 0.00 179.01 176.05 3mgt h TRP 167 N 0.45 0.00 -0.36 0.92 4.06 -0.90 -2.77 115.95 117.35 3mgt h TRP 167 Ca 0.32 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.30 3mgt h TRP 167 Cb 0.40 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 3mgt h TRP 167 CO -0.16 0.67 0.17 1.25 -3.56 0.00 0.00 178.44 176.81 3mgt h LEU 168 N 0.00 0.23 -0.42 -4.49 5.85 -0.92 -0.86 115.31 114.70 3mgt h LEU 168 Ca -0.09 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3mgt h LEU 168 Cb 1.59 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 3mgt h LEU 168 CO 0.07 0.18 0.21 0.03 -0.34 0.00 0.00 178.44 178.58 3mgt h ARG 169 N 0.35 0.40 -0.60 1.25 3.08 -1.23 -0.48 114.38 117.14 3mgt h ARG 169 Ca 0.15 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.21 3mgt h ARG 169 Cb 0.08 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3mgt h ARG 169 CO -0.12 0.27 0.37 -0.09 -1.07 0.00 0.00 179.97 179.33 3mgt h ARG 170 N 0.42 0.71 -0.57 0.04 2.43 -1.19 -0.55 114.38 115.66 3mgt h ARG 170 Ca 0.18 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3mgt h ARG 170 Cb 0.10 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3mgt h ARG 170 CO -0.13 0.47 0.26 1.88 -1.51 0.00 0.00 179.97 180.94 3mgt h TYR 171 N 0.73 0.84 -0.63 2.20 0.05 -0.81 0.11 116.97 119.47 3mgt h TYR 171 Ca 0.24 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 59.05 3mgt h TYR 171 Cb 0.02 -0.26 -0.06 0.00 1.01 0.00 0.00 36.73 37.44 3mgt h TYR 171 CO -0.05 0.66 0.31 -0.07 -1.05 0.00 0.00 178.16 177.95 3mgt h LEU 172 N 0.78 0.41 0.42 3.88 3.38 -0.47 0.32 115.31 124.04 3mgt h LEU 172 Ca 0.20 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3mgt h LEU 172 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3mgt h LEU 172 CO -0.02 0.26 -0.20 -0.33 0.09 0.00 0.00 178.44 178.23 3mgt h GLU 173 N 0.55 -0.55 -0.98 1.13 5.08 -0.64 -2.26 114.58 116.91 3mgt h GLU 173 Ca 0.30 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.82 3mgt h GLU 173 Cb 0.27 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 3mgt h GLU 173 CO -0.23 -0.24 0.62 -0.91 -1.00 0.00 0.00 179.01 177.26 3mgt h ASN 174 N -0.92 0.86 -0.88 1.42 -0.26 -0.68 -1.93 115.58 113.19 3mgt h ASN 174 Ca -0.06 0.05 -0.57 0.00 -0.56 0.00 0.00 56.30 55.16 3mgt h ASN 174 Cb 0.56 -0.12 -0.30 0.00 -1.06 0.00 0.00 38.32 37.40 3mgt h ASN 174 CO 0.10 0.44 0.42 0.61 -1.06 0.00 0.00 177.43 177.94 3mgt n GLY 175 N -1.36 5.61 0.25 2.83 0.00 0.09 -4.79 105.19 107.82 3mgt n GLY 175 Ca 0.19 -2.03 0.02 0.00 0.00 0.00 0.00 46.02 44.20 3mgt n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mgt h LYS 176 N 1.73 0.35 0.00 1.61 3.64 -0.72 0.63 116.57 123.81 3mgt h LYS 176 Ca 0.53 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.86 3mgt h LYS 176 Cb 1.42 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3mgt h LYS 176 CO 1.22 0.23 -0.13 1.49 -2.27 0.00 0.00 179.45 179.99 3mgt h GLU 177 N 0.36 0.00 0.00 1.90 4.81 -1.86 -1.44 114.58 118.35 3mgt h GLU 177 Ca 0.34 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 59.17 3mgt h GLU 177 Cb 0.48 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 3mgt h GLU 177 CO -0.37 0.13 -2.20 2.41 -0.73 0.00 0.00 179.01 178.25 3mgt n THR 178 N -4.04 1.53 0.09 0.32 -1.04 -0.41 -4.36 114.28 106.37 3mgt n THR 178 Ca -0.02 -0.30 0.02 0.00 -2.04 0.00 0.00 64.05 61.70 3mgt n THR 178 Cb 0.21 -1.91 -0.02 0.00 -1.82 0.00 0.00 70.33 66.80 3mgt n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3mgt h LEU 179 N -0.95 0.00 -3.38 -4.42 3.38 0.17 -3.28 115.31 106.83 3mgt h LEU 179 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3mgt h LEU 179 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 3mgt h LEU 179 CO -0.35 0.50 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3mgt n GLN 180 N -3.05 4.15 -3.18 1.13 6.02 -0.54 -4.97 117.38 116.94 3mgt n GLN 180 Ca -0.03 -3.00 -0.27 0.00 -0.01 0.00 0.00 57.00 53.68 3mgt n GLN 180 Cb 0.77 -2.06 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 3mgt n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3mgt s ARG 181 N -2.52 3.59 -0.28 -1.09 1.70 -1.24 -4.98 118.95 114.13 3mgt s ARG 181 Ca 0.50 -0.01 -0.02 0.00 -0.47 0.00 0.00 55.73 55.74 3mgt s ARG 181 Cb 0.37 -2.58 0.09 0.00 -0.57 0.00 0.00 34.95 32.26 3mgt s ARG 181 CO 0.16 0.10 0.08 0.99 -1.08 0.00 0.00 175.30 175.56 3mgt s THR 182 N -2.28 0.73 -0.60 4.99 2.01 -1.26 -4.68 115.64 114.55 3mgt s THR 182 Ca 0.44 -1.14 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 3mgt s THR 182 Cb -0.10 -1.46 0.08 0.00 0.01 0.00 0.00 72.50 71.03 3mgt s THR 182 CO 0.34 -0.55 0.78 -1.81 -0.69 0.00 0.00 174.62 172.69 3mgt s ASP 183 N 1.71 6.19 0.37 3.53 1.01 -0.75 -4.86 116.67 123.86 3mgt s ASP 183 Ca 0.07 -1.17 -0.28 0.00 0.71 0.00 0.00 52.55 51.88 3mgt s ASP 183 Cb -0.17 -2.34 -0.11 0.00 1.01 0.00 0.00 42.92 41.30 3mgt s ASP 183 CO -0.22 -1.18 1.46 0.00 0.21 0.00 0.00 175.17 175.44 3mgt n ALA 184 N 6.77 2.18 -1.77 5.23 0.00 -1.26 -1.72 120.51 129.94 3mgt n ALA 184 Ca -0.07 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 3mgt n ALA 184 Cb 0.44 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.51 3mgt n ALA 184 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mgt s PRO 185 N -1.97 3.86 -0.30 0.00 0.02 -1.26 -4.66 135.00 130.68 3mgt s PRO 185 Ca 0.54 2.47 -0.20 0.00 0.02 0.00 0.00 61.00 63.83 3mgt s PRO 185 Cb -0.49 -2.78 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 3mgt s PRO 185 CO 0.63 -0.70 0.64 0.15 -0.33 0.00 0.00 177.00 177.39 3mgt s LYS 186 N -2.31 3.91 0.07 5.54 3.01 0.25 -4.84 119.74 125.38 3mgt s LYS 186 Ca 0.58 0.33 0.06 0.00 -1.01 0.00 0.00 55.97 55.92 3mgt s LYS 186 Cb -0.45 -3.73 -0.04 0.00 -1.01 0.00 0.00 37.83 32.61 3mgt s LYS 186 CO 0.59 -0.57 -0.07 0.95 0.51 0.00 0.00 175.35 176.75 3mgt s THR 187 N 2.63 3.57 0.21 2.17 -4.23 -1.26 -0.99 115.64 117.73 3mgt s THR 187 Ca 0.26 -1.07 -0.23 0.00 -1.18 0.00 0.00 61.69 59.47 3mgt s THR 187 Cb -0.15 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.10 3mgt s THR 187 CO 0.12 0.20 0.85 -1.38 -0.54 0.00 0.00 174.62 173.87 3mgt s HIS 188 N -1.16 -0.16 -0.02 3.99 -3.43 -1.03 -4.99 115.29 108.49 3mgt s HIS 188 Ca 0.21 -0.21 0.04 0.00 -0.80 0.00 0.00 55.06 54.30 3mgt s HIS 188 Cb -0.11 0.67 -0.01 0.00 -1.43 0.00 0.00 32.58 31.70 3mgt s HIS 188 CO 0.13 -1.01 -0.13 1.41 -2.00 0.00 0.00 174.74 173.14 3mgt s MET 189 N -3.56 1.22 0.14 -0.38 1.75 -1.26 -0.24 119.30 116.96 3mgt s MET 189 Ca 0.12 -0.48 0.09 0.00 -1.25 0.00 0.00 55.69 54.18 3mgt s MET 189 Cb -0.03 -1.14 -0.04 0.00 2.84 0.00 0.00 34.83 36.46 3mgt s MET 189 CO 0.04 0.25 -0.19 0.95 -0.65 0.00 0.00 175.02 175.42 3mgt s THR 190 N -0.14 2.76 -0.13 10.11 -4.23 0.00 -4.97 115.64 119.05 3mgt s THR 190 Ca 0.02 -1.62 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 3mgt s THR 190 Cb -0.07 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.53 3mgt s THR 190 CO 0.00 0.05 0.00 -2.28 -0.54 0.00 0.00 174.62 171.85 3mgt s HIS 191 N -1.27 0.94 -0.02 3.99 2.46 -1.26 -1.20 115.29 118.93 3mgt s HIS 191 Ca 0.19 -0.53 0.03 0.00 0.47 0.00 0.00 55.06 55.22 3mgt s HIS 191 Cb -0.10 -0.96 -0.00 0.00 -0.13 0.00 0.00 32.58 31.39 3mgt s HIS 191 CO 0.10 -0.47 -0.11 -1.01 -2.47 0.00 0.00 174.74 170.78 3mgt s HIS 192 N 1.88 1.11 -0.45 3.88 3.76 -0.55 -4.97 115.29 119.96 3mgt s HIS 192 Ca 0.03 -0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.41 3mgt s HIS 192 Cb -0.14 -0.75 0.03 0.00 1.11 0.00 0.00 32.58 32.82 3mgt s HIS 192 CO -0.07 -0.08 0.98 0.00 -0.85 0.00 0.00 174.74 174.73 3mgt s ALA 193 N -0.02 3.25 0.24 -1.40 0.00 -1.26 0.39 121.76 122.96 3mgt s ALA 193 Ca 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.40 3mgt s ALA 193 Cb -0.07 -3.68 0.25 0.00 0.00 0.00 0.00 23.12 19.61 3mgt s ALA 193 CO 0.00 -2.01 1.55 0.28 0.00 0.00 0.00 175.76 175.58 3mgt h VAL 194 N 6.06 1.48 -0.75 0.00 2.07 -1.86 -3.48 116.25 119.78 3mgt h VAL 194 Ca -0.24 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3mgt h VAL 194 Cb 1.07 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3mgt h VAL 194 CO 1.04 0.66 0.00 -1.54 0.02 0.00 0.00 177.57 177.75 3mgt n SER 195 N -3.75 0.00 -0.21 0.57 3.41 -1.08 -5.01 113.62 107.55 3mgt n SER 195 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 3mgt n SER 195 Cb 0.67 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3mgt n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mgt n ASP 196 N 0.00 1.34 -0.00 4.04 5.68 -1.26 -4.20 116.55 122.15 3mgt n ASP 196 Ca 0.00 -1.12 0.05 0.00 -0.50 0.00 0.00 54.79 53.22 3mgt n ASP 196 Cb 0.00 0.66 -0.06 0.00 -1.14 0.00 0.00 41.12 40.58 3mgt n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mgt n HIS 197 N -0.87 0.00 -3.86 2.11 1.44 -1.26 -4.90 115.22 107.88 3mgt n HIS 197 Ca 0.07 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.67 3mgt n HIS 197 Cb 0.38 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.37 3mgt n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3mgt s GLU 198 N -2.11 0.67 0.01 -1.40 2.02 -1.26 -1.84 118.70 114.79 3mgt s GLU 198 Ca 0.03 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.36 3mgt s GLU 198 Cb 0.08 0.28 -0.01 0.00 0.10 0.00 0.00 34.13 34.57 3mgt s GLU 198 CO 0.43 -0.19 0.01 0.00 0.02 0.00 0.00 175.26 175.54 3mgt s ALA 199 N -2.53 0.00 -0.12 5.21 0.00 -0.17 -2.64 121.76 121.51 3mgt s ALA 199 Ca -0.05 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.30 3mgt s ALA 199 Cb -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3mgt s ALA 199 CO -0.04 -0.14 0.72 0.99 0.00 0.00 0.00 175.76 177.30 3mgt s THR 200 N -1.14 4.99 -0.30 0.00 2.01 0.16 -0.41 115.64 120.97 3mgt s THR 200 Ca -0.12 1.44 -0.06 0.00 0.31 0.00 0.00 61.69 63.26 3mgt s THR 200 Cb -0.08 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.41 3mgt s THR 200 CO -0.00 0.16 0.06 -0.22 -0.69 0.00 0.00 174.62 173.92 3mgt s LEU 201 N 1.43 3.83 -0.16 4.42 2.96 -0.16 -1.48 118.68 129.53 3mgt s LEU 201 Ca 0.36 -0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3mgt s LEU 201 Cb -0.17 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3mgt s LEU 201 CO 0.15 -0.21 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.27 3mgt s ARG 202 N 1.44 3.42 -0.23 1.98 3.52 -0.34 -1.28 118.95 127.45 3mgt s ARG 202 Ca 0.01 -0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 54.88 3mgt s ARG 202 Cb -0.18 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3mgt s ARG 202 CO 0.01 0.11 0.10 0.00 -0.81 0.00 0.00 175.30 174.71 3mgt s TRP 204 N 1.06 3.11 -0.16 0.00 0.52 0.67 -1.69 118.94 122.45 3mgt s TRP 204 Ca 0.05 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.17 3mgt s TRP 204 Cb -0.14 -1.90 0.01 0.00 -1.15 0.00 0.00 33.47 30.29 3mgt s TRP 204 CO 0.04 0.22 -0.19 0.00 0.02 0.00 0.00 176.95 177.04 3mgt s ALA 205 N -0.20 2.36 0.07 0.98 0.00 0.06 -2.45 121.76 122.57 3mgt s ALA 205 Ca 0.05 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.93 3mgt s ALA 205 Cb -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3mgt s ALA 205 CO 0.02 -0.13 -0.10 -0.51 0.00 0.00 0.00 175.76 175.04 3mgt s LEU 206 N 0.96 2.31 -1.41 0.00 1.43 -0.17 -1.56 118.68 120.25 3mgt s LEU 206 Ca -0.03 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 3mgt s LEU 206 Cb -0.15 -0.31 0.04 0.00 0.03 0.00 0.00 46.19 45.81 3mgt s LEU 206 CO -0.04 -0.19 0.93 -0.24 0.23 0.00 0.00 176.35 177.04 3mgt n SER 207 N 1.11 -3.73 -4.67 2.29 2.88 -0.99 -0.58 113.62 109.92 3mgt n SER 207 Ca -0.20 -0.74 -0.24 0.00 -1.33 0.00 0.00 58.87 56.35 3mgt n SER 207 Cb 0.55 -4.22 -0.07 0.00 -0.75 0.00 0.00 64.21 59.73 3mgt n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mgt s PHE 208 N -3.42 2.80 -0.22 0.66 -0.71 -1.11 -4.67 117.98 111.30 3mgt s PHE 208 Ca 0.40 -0.18 -0.19 0.00 -1.04 0.00 0.00 56.93 55.92 3mgt s PHE 208 Cb -0.19 -1.29 0.06 0.00 -1.21 0.00 0.00 43.02 40.38 3mgt s PHE 208 CO 0.80 0.57 0.58 -0.47 -1.34 0.00 0.00 175.22 175.35 3mgt s TYR 209 N -2.05 -0.66 0.34 3.49 5.04 -0.70 -1.07 117.35 121.74 3mgt s TYR 209 Ca 0.30 1.57 -0.06 0.00 -2.44 0.00 0.00 57.07 56.44 3mgt s TYR 209 Cb -0.08 0.24 0.08 0.00 0.35 0.00 0.00 41.96 42.56 3mgt s TYR 209 CO 0.20 -0.32 0.38 -0.35 -1.34 0.00 0.00 175.55 174.11 3mgt n PRO 210 N 2.93 -0.98 -0.04 4.97 -0.04 -1.26 -1.82 135.00 138.77 3mgt n PRO 210 Ca -0.14 -0.59 -0.08 0.00 -0.04 0.00 0.00 63.50 62.65 3mgt n PRO 210 Cb 0.56 -0.46 0.10 0.00 -0.04 0.00 0.00 33.50 33.66 3mgt n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mgt h ALA 211 N -2.07 0.85 -2.06 0.55 0.00 -1.96 -3.45 119.26 111.13 3mgt h ALA 211 Ca -0.13 -0.42 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 3mgt h ALA 211 Cb 0.38 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3mgt h ALA 211 CO 0.09 0.64 1.07 -1.91 0.00 0.00 0.00 179.25 179.13 3mgt n GLU 212 N -4.06 2.19 -3.69 0.00 4.07 -1.26 -4.96 120.64 112.93 3mgt n GLU 212 Ca -0.01 0.80 -0.13 0.00 -0.06 0.00 0.00 57.16 57.76 3mgt n GLU 212 Cb 0.49 -2.64 -0.07 0.00 -0.06 0.00 0.00 31.44 29.16 3mgt n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3mgt s ILE 213 N 3.70 0.06 -0.15 6.31 2.07 -1.26 -4.62 121.20 127.31 3mgt s ILE 213 Ca 0.91 -0.48 0.01 0.00 -1.41 0.00 0.00 60.65 59.68 3mgt s ILE 213 Cb -0.69 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.00 3mgt s ILE 213 CO 0.50 -0.27 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.18 3mgt s THR 214 N -2.32 2.28 -0.20 4.00 2.01 -0.20 -4.99 115.64 116.22 3mgt s THR 214 Ca -0.06 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 3mgt s THR 214 Cb -0.01 -1.94 0.06 0.00 0.01 0.00 0.00 72.50 70.62 3mgt s THR 214 CO -0.01 0.53 0.01 -0.22 -0.69 0.00 0.00 174.62 174.24 3mgt s LEU 215 N 0.89 1.57 0.02 4.42 2.96 -1.26 -0.88 118.68 126.41 3mgt s LEU 215 Ca -0.05 -0.91 0.03 0.00 -0.22 0.00 0.00 54.13 52.98 3mgt s LEU 215 Cb -0.15 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 3mgt s LEU 215 CO -0.03 -0.28 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.73 3mgt s THR 216 N 1.73 0.72 -0.02 3.68 2.01 -0.24 -4.90 115.64 118.61 3mgt s THR 216 Ca -0.02 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 3mgt s THR 216 Cb -0.18 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3mgt s THR 216 CO -0.07 -0.00 0.04 0.26 -0.69 0.00 0.00 174.62 174.16 3mgt s TRP 217 N -0.63 3.20 0.06 4.92 0.52 -1.26 0.34 118.94 126.09 3mgt s TRP 217 Ca -0.00 0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.33 3mgt s TRP 217 Cb -0.06 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3mgt s TRP 217 CO 0.00 0.51 -0.11 -0.65 0.02 0.00 0.00 176.95 176.73 3mgt s GLN 218 N -1.48 0.68 -0.24 4.98 -0.21 -0.04 -2.31 119.66 121.03 3mgt s GLN 218 Ca 0.19 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.74 3mgt s GLN 218 Cb -0.12 -0.56 0.05 0.00 1.00 0.00 0.00 33.01 33.39 3mgt s GLN 218 CO 0.10 0.12 -0.12 0.50 -2.12 0.00 0.00 175.29 173.77 3mgt s ARG 219 N -1.68 2.29 -1.54 2.91 3.52 -0.72 -0.82 118.95 122.91 3mgt s ARG 219 Ca -0.06 -1.23 -0.12 0.00 -0.13 0.00 0.00 55.73 54.19 3mgt s ARG 219 Cb -0.10 -2.80 0.09 0.00 -1.56 0.00 0.00 34.95 30.58 3mgt s ARG 219 CO 0.01 -0.52 0.89 -0.25 -0.81 0.00 0.00 175.30 174.62 3mgt n ASP 220 N 4.49 -3.90 0.00 -2.12 8.00 -0.06 -2.31 116.55 120.64 3mgt n ASP 220 Ca -0.15 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3mgt n ASP 220 Cb 0.43 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 3mgt n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgt n GLY 221 N -1.65 2.09 3.87 0.44 0.00 -1.26 -5.03 105.19 103.65 3mgt n GLY 221 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3mgt n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mgt s GLU 222 N -0.46 3.68 0.37 1.61 -1.05 -0.98 -5.02 118.70 116.86 3mgt s GLU 222 Ca 0.00 0.11 -0.28 0.00 -0.15 0.00 0.00 54.97 54.65 3mgt s GLU 222 Cb 0.00 -3.13 -0.10 0.00 -0.44 0.00 0.00 34.13 30.45 3mgt s GLU 222 CO 0.00 0.68 1.41 0.34 0.95 0.00 0.00 175.26 178.64 3mgt s ASP 223 N -1.37 6.45 -0.28 0.83 -1.08 -1.26 -1.76 116.67 118.20 3mgt s ASP 223 Ca 0.24 2.89 0.08 0.00 -0.52 0.00 0.00 52.55 55.25 3mgt s ASP 223 Cb -0.14 -2.66 0.45 0.00 -1.46 0.00 0.00 42.92 39.11 3mgt s ASP 223 CO 0.13 -0.78 1.27 0.00 0.52 0.00 0.00 175.17 176.31 3mgt n GLN 224 N 0.50 2.60 -0.10 4.34 1.13 -0.98 -4.86 117.38 120.01 3mgt n GLN 224 Ca 0.01 -3.69 -0.06 0.00 -1.94 0.00 0.00 57.00 51.32 3mgt n GLN 224 Cb 0.41 -1.98 -0.00 0.00 0.11 0.00 0.00 30.24 28.78 3mgt n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3mgt h THR 225 N 1.54 0.38 0.00 5.09 2.02 -1.92 -0.79 112.91 119.23 3mgt h THR 225 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 3mgt h THR 225 Cb 1.32 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3mgt h THR 225 CO 0.47 0.00 0.00 1.56 0.37 0.00 0.00 175.52 177.92 3mgt h GLN 226 N -0.18 0.00 -0.47 6.66 4.20 -2.00 -2.40 115.11 120.93 3mgt h GLN 226 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3mgt h GLN 226 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3mgt h GLN 226 CO -0.47 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.44 3mgt n ASP 227 N -2.57 3.51 -4.61 1.46 9.92 -0.59 -4.95 116.55 118.73 3mgt n ASP 227 Ca 0.02 -2.17 -0.35 0.00 -0.53 0.00 0.00 54.79 51.77 3mgt n ASP 227 Cb 0.30 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.31 3mgt n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3mgt s THR 228 N -1.30 4.70 -0.54 -3.53 2.01 -0.41 -4.56 115.64 112.01 3mgt s THR 228 Ca 0.35 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.04 3mgt s THR 228 Cb 0.20 -3.12 0.04 0.00 0.01 0.00 0.00 72.50 69.63 3mgt s THR 228 CO 0.20 0.45 0.96 -0.70 -0.69 0.00 0.00 174.62 174.85 3mgt s GLU 229 N 0.48 3.38 -0.21 4.92 2.12 0.13 -4.93 118.70 124.59 3mgt s GLU 229 Ca 0.03 -0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.21 3mgt s GLU 229 Cb -0.13 -4.03 0.02 0.00 0.26 0.00 0.00 34.13 30.25 3mgt s GLU 229 CO 0.01 -1.47 -0.14 -1.17 -0.54 0.00 0.00 175.26 171.95 3mgt s LEU 230 N 4.02 2.59 0.42 2.70 2.96 -1.26 -0.65 118.68 129.46 3mgt s LEU 230 Ca 0.33 -0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 3mgt s LEU 230 Cb -0.12 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.95 3mgt s LEU 230 CO 0.21 -0.05 0.76 0.68 -1.32 0.00 0.00 176.35 176.63 3mgt s VAL 231 N 1.31 4.83 0.29 1.68 -7.23 -1.04 -5.04 120.40 115.19 3mgt s VAL 231 Ca 0.03 0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 60.41 3mgt s VAL 231 Cb -0.15 -3.76 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 3mgt s VAL 231 CO -0.09 -0.58 1.40 -0.70 -0.31 0.00 0.00 175.10 174.82 3mgt s GLU 232 N -4.03 4.28 0.21 4.82 2.12 -1.26 -4.63 118.70 120.20 3mgt s GLU 232 Ca 0.50 2.31 -0.32 0.00 0.36 0.00 0.00 54.97 57.81 3mgt s GLU 232 Cb -0.10 -3.08 -0.14 0.00 0.26 0.00 0.00 34.13 31.07 3mgt s GLU 232 CO 0.34 -0.36 1.46 2.41 -0.54 0.00 0.00 175.26 178.57 3mgt n THR 233 N 1.63 0.59 -4.17 -1.70 -1.04 -1.26 -4.84 114.28 103.49 3mgt n THR 233 Ca 0.04 -0.15 -0.16 0.00 -2.04 0.00 0.00 64.05 61.75 3mgt n THR 233 Cb 0.41 -1.46 -0.13 0.00 -1.82 0.00 0.00 70.33 67.33 3mgt n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mgt s ARG 234 N 0.08 0.56 0.17 -2.82 1.70 -0.23 -4.95 118.95 113.45 3mgt s ARG 234 Ca 0.73 -0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 55.20 3mgt s ARG 234 Cb -0.68 -0.47 -0.08 0.00 -0.57 0.00 0.00 34.95 33.16 3mgt s ARG 234 CO 0.46 0.11 1.15 -1.25 -1.08 0.00 0.00 175.30 174.69 3mgt s PRO 235 N -0.80 4.53 0.40 3.89 0.04 -1.26 -0.02 135.00 141.79 3mgt s PRO 235 Ca -0.02 1.79 0.26 0.00 0.04 0.00 0.00 61.00 63.07 3mgt s PRO 235 Cb -0.06 -3.27 0.68 0.00 0.04 0.00 0.00 34.50 31.90 3mgt s PRO 235 CO 0.00 -0.03 1.72 0.00 0.04 0.00 0.00 177.00 178.73 3mgt h ALA 236 N 5.32 1.00 0.00 8.56 0.00 -0.96 -3.47 119.26 129.72 3mgt h ALA 236 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3mgt h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mgt h ALA 236 CO 0.74 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3mgt n GLY 237 N 0.85 0.07 0.72 0.00 0.00 -1.26 -4.90 105.19 100.67 3mgt n GLY 237 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3mgt n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mgt n ASP 238 N 0.00 3.35 0.00 1.61 5.75 -1.26 -4.93 116.55 121.08 3mgt n ASP 238 Ca 0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 3mgt n ASP 238 Cb 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3mgt n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mgt n GLY 239 N -0.10 0.74 3.84 6.12 0.00 -1.26 -5.06 105.19 109.47 3mgt n GLY 239 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3mgt n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mgt s THR 240 N -2.77 2.77 0.33 2.61 -4.23 -1.26 -4.87 115.64 108.22 3mgt s THR 240 Ca 0.00 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 3mgt s THR 240 Cb 0.00 -3.03 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 3mgt s THR 240 CO 0.00 -0.04 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.60 3mgt s PHE 241 N -2.46 2.29 0.15 3.99 0.40 -0.23 -0.29 117.98 121.82 3mgt s PHE 241 Ca 0.45 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3mgt s PHE 241 Cb -0.02 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 3mgt s PHE 241 CO 0.26 0.48 -0.04 -0.65 0.70 0.00 0.00 175.22 175.97 3mgt s GLN 242 N -3.66 1.02 -0.20 0.44 -0.21 0.97 -2.34 119.66 115.69 3mgt s GLN 242 Ca 0.32 -1.46 -0.28 0.00 0.02 0.00 0.00 55.36 53.96 3mgt s GLN 242 Cb 0.04 -0.34 0.12 0.00 1.00 0.00 0.00 33.01 33.82 3mgt s GLN 242 CO 0.15 -0.05 0.96 0.21 -2.12 0.00 0.00 175.29 174.45 3mgt s LYS 243 N -3.85 0.63 0.04 2.91 2.20 -0.60 -1.07 119.74 119.99 3mgt s LYS 243 Ca 0.19 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 3mgt s LYS 243 Cb 0.05 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 3mgt s LYS 243 CO 0.01 -0.15 -0.04 1.67 -0.36 0.00 0.00 175.35 176.47 3mgt s TRP 244 N -0.57 0.42 -0.03 4.03 1.48 -1.26 -0.76 118.94 122.24 3mgt s TRP 244 Ca -0.01 -0.70 0.05 0.00 -1.06 0.00 0.00 56.10 54.38 3mgt s TRP 244 Cb -0.02 -0.29 -0.01 0.00 -1.16 0.00 0.00 33.47 31.99 3mgt s TRP 244 CO -0.00 -0.23 -0.19 0.00 -4.06 0.00 0.00 176.95 172.47 3mgt s ALA 245 N -2.28 1.61 0.06 2.67 0.00 -0.68 -2.51 121.76 120.63 3mgt s ALA 245 Ca -0.07 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3mgt s ALA 245 Cb -0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 3mgt s ALA 245 CO -0.04 0.33 -0.16 0.00 0.00 0.00 0.00 175.76 175.89 3mgt s ALA 246 N -0.16 1.38 0.07 0.00 0.00 0.18 -0.14 121.76 123.09 3mgt s ALA 246 Ca 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3mgt s ALA 246 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3mgt s ALA 246 CO 0.01 0.26 -0.12 0.14 0.00 0.00 0.00 175.76 176.05 3mgt s VAL 247 N -0.99 0.97 -0.24 0.00 -7.23 -0.41 -0.70 120.40 111.81 3mgt s VAL 247 Ca 0.03 -1.27 -0.18 0.00 -1.81 0.00 0.00 61.98 58.74 3mgt s VAL 247 Cb -0.09 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 3mgt s VAL 247 CO 0.02 -0.28 0.53 -0.69 -0.31 0.00 0.00 175.10 174.37 3mgt s VAL 248 N -1.36 5.07 -0.15 1.32 1.01 -1.26 -0.99 120.40 124.04 3mgt s VAL 248 Ca -0.04 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 3mgt s VAL 248 Cb -0.10 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3mgt s VAL 248 CO 0.02 0.11 -0.10 -0.69 0.00 0.00 0.00 175.10 174.44 3mgt s VAL 249 N 2.11 3.23 0.74 2.92 1.01 0.46 -4.94 120.40 125.92 3mgt s VAL 249 Ca 0.23 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3mgt s VAL 249 Cb -0.16 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.87 3mgt s VAL 249 CO 0.09 0.50 1.09 -2.84 0.00 0.00 0.00 175.10 173.94 3mgt s PRO 250 N 0.58 2.45 0.11 2.72 0.02 -1.26 -1.00 135.00 138.62 3mgt s PRO 250 Ca -0.06 1.18 -0.36 0.00 0.02 0.00 0.00 61.00 61.78 3mgt s PRO 250 Cb -0.15 -1.92 -0.16 0.00 0.02 0.00 0.00 34.50 32.29 3mgt s PRO 250 CO 0.03 -1.50 1.40 0.43 -0.33 0.00 0.00 177.00 177.04 3mgt n SER 251 N -3.25 2.04 -0.60 2.53 7.64 -0.77 -2.22 113.62 119.00 3mgt n SER 251 Ca 0.09 1.11 -0.08 0.00 1.01 0.00 0.00 58.87 61.00 3mgt n SER 251 Cb 0.53 -1.26 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 3mgt n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgt n GLY 252 N 2.76 0.98 0.31 0.23 0.00 -1.26 -4.89 105.19 103.32 3mgt n GLY 252 Ca 0.18 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.58 3mgt n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mgt n GLN 253 N -2.72 0.57 -0.29 1.61 6.02 -0.94 -4.75 117.38 116.88 3mgt n GLN 253 Ca -0.08 -1.11 0.08 0.00 -0.01 0.00 0.00 57.00 55.88 3mgt n GLN 253 Cb 0.26 -1.14 0.19 0.00 1.02 0.00 0.00 30.24 30.57 3mgt n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mgt h GLU 254 N 1.38 0.06 0.00 -1.09 3.07 -1.90 0.12 114.58 116.23 3mgt h GLU 254 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3mgt h GLU 254 Cb 0.37 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3mgt h GLU 254 CO 0.00 0.04 0.00 0.00 -1.40 0.00 0.00 179.01 177.65 3mgt n GLN 255 N -5.41 0.03 0.21 2.33 -0.00 -1.26 -1.76 117.38 111.51 3mgt n GLN 255 Ca 0.17 0.27 0.08 0.00 -0.00 0.00 0.00 57.00 57.52 3mgt n GLN 255 Cb 0.56 -1.56 0.37 0.00 -0.00 0.00 0.00 30.24 29.61 3mgt n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mgt h ARG 256 N 0.00 0.00 -5.95 2.61 3.08 -1.10 -3.46 114.38 109.56 3mgt h ARG 256 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3mgt h ARG 256 Cb 0.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 3mgt h ARG 256 CO 0.00 0.27 -0.23 0.71 -1.07 0.00 0.00 179.97 179.65 3mgt s TYR 257 N -3.53 3.70 -0.04 3.04 1.51 -0.72 -0.89 117.35 120.43 3mgt s TYR 257 Ca 0.01 0.93 0.03 0.00 -1.01 0.00 0.00 57.07 57.03 3mgt s TYR 257 Cb 0.10 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3mgt s TYR 257 CO 0.66 0.63 -0.13 0.95 -1.11 0.00 0.00 175.55 176.55 3mgt s THR 258 N -0.98 1.10 -0.16 -0.71 -4.23 0.00 -4.42 115.64 106.24 3mgt s THR 258 Ca 0.23 -0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 60.08 3mgt s THR 258 Cb -0.16 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 72.67 3mgt s THR 258 CO 0.12 0.33 0.25 0.00 -0.54 0.00 0.00 174.62 174.78 3mgt s HIS 260 N 0.31 2.73 -0.12 0.00 3.76 0.15 0.55 115.29 122.68 3mgt s HIS 260 Ca 0.15 -0.82 0.01 0.00 -0.15 0.00 0.00 55.06 54.25 3mgt s HIS 260 Cb -0.13 -1.81 0.02 0.00 1.11 0.00 0.00 32.58 31.77 3mgt s HIS 260 CO 0.03 -0.31 -0.15 0.08 -0.85 0.00 0.00 174.74 173.53 3mgt s VAL 261 N 0.41 1.54 -0.11 -0.90 1.01 -0.35 -1.08 120.40 120.91 3mgt s VAL 261 Ca -0.13 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3mgt s VAL 261 Cb -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3mgt s VAL 261 CO 0.06 0.45 -0.23 -1.10 0.00 0.00 0.00 175.10 174.28 3mgt s GLN 262 N 1.07 2.99 -0.05 2.72 -0.21 -0.06 -0.85 119.66 125.28 3mgt s GLN 262 Ca -0.05 -0.85 -0.27 0.00 0.02 0.00 0.00 55.36 54.21 3mgt s GLN 262 Cb -0.15 -2.32 0.06 0.00 1.00 0.00 0.00 33.01 31.60 3mgt s GLN 262 CO -0.03 0.10 0.59 -1.58 -2.12 0.00 0.00 175.29 172.25 3mgt s HIS 263 N 0.54 -0.55 0.51 0.91 2.46 -1.26 -1.04 115.29 116.85 3mgt s HIS 263 Ca -0.14 0.96 0.29 0.00 0.47 0.00 0.00 55.06 56.64 3mgt s HIS 263 Cb -0.17 0.33 1.40 0.00 -0.13 0.00 0.00 32.58 34.01 3mgt s HIS 263 CO 0.05 -0.55 1.85 1.49 -2.47 0.00 0.00 174.74 175.11 3mgt h GLU 264 N 3.29 0.10 0.00 2.88 4.81 -1.93 0.12 114.58 123.85 3mgt h GLU 264 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3mgt h GLU 264 Cb 1.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3mgt h GLU 264 CO 0.38 0.07 -0.07 0.41 -0.73 0.00 0.00 179.01 179.06 3mgt n GLY 265 N -1.67 -1.50 3.55 1.92 0.00 -1.26 -4.74 105.19 101.49 3mgt n GLY 265 Ca 0.21 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3mgt n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgt s LEU 266 N -3.27 3.86 0.11 0.99 1.43 0.40 -4.57 118.68 117.63 3mgt s LEU 266 Ca 0.13 -0.06 -0.32 0.00 -1.03 0.00 0.00 54.13 52.85 3mgt s LEU 266 Cb 0.18 -2.07 -0.12 0.00 0.03 0.00 0.00 46.19 44.22 3mgt s LEU 266 CO 0.56 -0.04 1.59 -0.65 0.23 0.00 0.00 176.35 178.04 3mgt h PRO 267 N 8.32 -0.68 -6.34 1.29 0.11 -1.85 -3.42 132.00 129.42 3mgt h PRO 267 Ca -0.36 0.05 -0.68 0.00 0.11 0.00 0.00 66.00 65.11 3mgt h PRO 267 Cb 1.19 0.16 -0.21 0.00 0.11 0.00 0.00 31.00 32.24 3mgt h PRO 267 CO 0.56 -0.46 -0.75 -1.59 -0.21 0.00 0.00 178.00 175.55 3mgt s LYS 268 N -5.93 2.46 0.21 1.05 -2.85 -1.26 -5.09 119.74 108.33 3mgt s LYS 268 Ca -0.17 -0.74 -0.32 0.00 -1.00 0.00 0.00 55.97 53.74 3mgt s LYS 268 Cb 0.07 -2.40 -0.14 0.00 -2.06 0.00 0.00 37.83 33.30 3mgt s LYS 268 CO 0.63 0.61 1.46 -2.30 0.10 0.00 0.00 175.35 175.85 3mgt n PRO 269 N 1.95 2.03 -2.95 1.78 -0.02 -1.26 -4.94 135.00 131.59 3mgt n PRO 269 Ca -0.17 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 3mgt n PRO 269 Cb 0.52 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 3mgt n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mgt s LEU 270 N 0.39 4.42 -0.22 2.45 1.43 -0.03 -4.89 118.68 122.23 3mgt s LEU 270 Ca 0.72 1.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.48 3mgt s LEU 270 Cb -0.67 -3.66 0.05 0.00 0.03 0.00 0.00 46.19 41.93 3mgt s LEU 270 CO 0.45 0.05 -0.13 -0.89 0.23 0.00 0.00 176.35 176.06 3mgt s THR 271 N -1.45 2.00 -0.08 5.49 2.01 -1.26 -1.21 115.64 121.15 3mgt s THR 271 Ca 0.44 -1.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 3mgt s THR 271 Cb -0.19 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 3mgt s THR 271 CO 0.24 0.16 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.52 3mgt s LEU 272 N 1.23 3.23 -0.02 4.42 1.43 0.19 -4.92 118.68 124.24 3mgt s LEU 272 Ca -0.03 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3mgt s LEU 272 Cb -0.17 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3mgt s LEU 272 CO -0.08 0.34 -0.05 -0.60 0.23 0.00 0.00 176.35 176.19 3mgt s ARG 273 N -0.66 0.56 -0.20 1.70 3.52 -1.26 0.87 118.95 123.47 3mgt s ARG 273 Ca 0.10 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.26 3mgt s ARG 273 Cb -0.11 -0.57 -0.01 0.00 -1.56 0.00 0.00 34.95 32.69 3mgt s ARG 273 CO 0.02 0.04 1.31 -0.46 -0.81 0.00 0.00 175.30 175.41 3mgt s TRP 274 N 0.27 2.72 0.00 5.12 -0.11 -1.26 -5.06 118.94 120.61 3mgt s TRP 274 Ca -0.03 0.90 0.00 0.00 1.22 0.00 0.00 56.10 58.19 3mgt s TRP 274 Cb -0.07 -3.66 0.00 0.00 -1.50 0.00 0.00 33.47 28.24 3mgt s TRP 274 CO -0.00 -1.89 0.00 -0.85 -4.62 0.00 0.00 176.95 169.59