#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgo s SER 2 N 0.00 7.02 0.12 1.61 0.15 -1.26 -4.16 113.70 117.18 3mgo s SER 2 Ca 0.00 2.02 -0.00 0.00 0.70 0.00 0.00 55.95 58.66 3mgo s SER 2 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3mgo s SER 2 CO 0.00 -0.30 0.02 -1.00 1.20 0.00 0.00 173.24 173.16 3mgo s HIS 3 N -1.56 0.84 0.01 3.44 3.76 -0.67 -5.00 115.29 116.11 3mgo s HIS 3 Ca 0.53 -1.15 -0.14 0.00 -0.15 0.00 0.00 55.06 54.15 3mgo s HIS 3 Cb -0.23 -0.49 0.02 0.00 1.11 0.00 0.00 32.58 32.99 3mgo s HIS 3 CO 0.29 -0.42 0.30 -1.54 -0.85 0.00 0.00 174.74 172.51 3mgo s SER 4 N -3.04 -0.15 -0.03 1.40 1.04 -1.26 -0.73 113.70 110.94 3mgo s SER 4 Ca 0.19 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.61 3mgo s SER 4 Cb 0.07 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 3mgo s SER 4 CO -0.01 -0.52 -0.14 -0.32 0.98 0.00 0.00 173.24 173.23 3mgo s MET 5 N -1.87 1.33 0.00 4.02 1.75 -0.41 -0.26 119.30 123.85 3mgo s MET 5 Ca -0.10 -0.50 -0.03 0.00 -1.25 0.00 0.00 55.69 53.82 3mgo s MET 5 Cb -0.03 -1.22 -0.01 0.00 2.84 0.00 0.00 34.83 36.41 3mgo s MET 5 CO 0.01 0.24 0.04 1.03 -0.65 0.00 0.00 175.02 175.69 3mgo s ARG 6 N -0.07 0.27 -0.08 4.11 1.81 -0.59 -1.40 118.95 123.00 3mgo s ARG 6 Ca 0.00 -0.32 0.05 0.00 -1.72 0.00 0.00 55.73 53.74 3mgo s ARG 6 Cb -0.08 0.11 -0.00 0.00 -0.45 0.00 0.00 34.95 34.52 3mgo s ARG 6 CO 0.01 -0.05 -0.24 0.71 -0.68 0.00 0.00 175.30 175.05 3mgo s TYR 7 N -0.92 2.43 -0.15 -0.53 2.02 0.65 -0.41 117.35 120.44 3mgo s TYR 7 Ca -0.10 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.73 3mgo s TYR 7 Cb -0.06 -1.62 -0.00 0.00 -0.40 0.00 0.00 41.96 39.88 3mgo s TYR 7 CO 0.00 -0.32 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.44 3mgo s PHE 8 N 0.14 2.77 -0.11 2.71 0.08 0.16 -2.28 117.98 121.46 3mgo s PHE 8 Ca -0.12 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 55.99 3mgo s PHE 8 Cb -0.16 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 3mgo s PHE 8 CO 0.06 -0.43 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.48 3mgo s PHE 9 N 0.72 2.47 -0.10 0.36 0.08 0.73 -1.45 117.98 120.78 3mgo s PHE 9 Ca -0.07 -1.08 0.02 0.00 0.12 0.00 0.00 56.93 55.93 3mgo s PHE 9 Cb -0.16 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3mgo s PHE 9 CO 0.01 -0.46 -0.16 0.99 -0.10 0.00 0.00 175.22 175.50 3mgo s THR 10 N 0.51 1.55 -0.14 0.64 2.01 -0.18 -1.12 115.64 118.91 3mgo s THR 10 Ca -0.15 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.17 3mgo s THR 10 Cb -0.17 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 70.95 3mgo s THR 10 CO 0.05 0.45 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.72 3mgo s SER 11 N 0.87 2.72 -0.18 3.53 0.15 0.10 -1.22 113.70 119.67 3mgo s SER 11 Ca -0.09 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.06 3mgo s SER 11 Cb -0.15 -1.22 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 3mgo s SER 11 CO 0.00 -0.01 -0.12 -0.69 1.20 0.00 0.00 173.24 173.62 3mgo s VAL 12 N 1.23 1.61 0.23 4.45 1.01 0.03 -0.41 120.40 128.55 3mgo s VAL 12 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3mgo s VAL 12 Cb -0.14 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 3mgo s VAL 12 CO -0.07 0.28 1.14 -0.94 0.00 0.00 0.00 175.10 175.50 3mgo s SER 13 N 1.43 7.20 -0.67 3.32 1.04 -0.71 -0.47 113.70 124.84 3mgo s SER 13 Ca 0.01 2.23 0.05 0.00 0.48 0.00 0.00 55.95 58.73 3mgo s SER 13 Cb -0.15 -2.62 0.18 0.00 0.10 0.00 0.00 66.02 63.54 3mgo s SER 13 CO -0.09 -0.24 0.52 0.54 0.98 0.00 0.00 173.24 174.95 3mgo n ARG 14 N 1.85 1.81 -1.70 4.02 1.74 -1.26 -3.97 116.66 119.14 3mgo n ARG 14 Ca 0.01 -4.41 -0.53 0.00 -0.77 0.00 0.00 57.85 52.15 3mgo n ARG 14 Cb 0.45 -2.22 -0.06 0.00 -1.02 0.00 0.00 32.46 29.61 3mgo n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3mgo n PRO 15 N 1.84 1.60 0.00 5.56 -0.02 -1.26 -0.94 135.00 141.79 3mgo n PRO 15 Ca 0.22 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3mgo n PRO 15 Cb 0.37 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3mgo n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgo n GLY 16 N 4.28 2.32 0.84 -1.23 0.00 -1.26 -4.82 105.19 105.32 3mgo n GLY 16 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.34 3mgo n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgo n ARG 17 N -2.00 2.98 0.00 1.61 1.74 -0.11 -5.09 116.66 115.79 3mgo n ARG 17 Ca 0.00 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 3mgo n ARG 17 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3mgo n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgo n GLY 18 N 0.37 -0.24 3.77 -0.13 0.00 -1.20 -5.00 105.19 102.76 3mgo n GLY 18 Ca 0.16 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 3mgo n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mgo s GLU 19 N 0.00 3.61 0.52 1.61 0.41 -1.26 -4.54 118.70 119.05 3mgo s GLU 19 Ca 0.00 1.70 -0.23 0.00 -0.41 0.00 0.00 54.97 56.03 3mgo s GLU 19 Cb 0.00 -2.25 -0.06 0.00 -1.78 0.00 0.00 34.13 30.05 3mgo s GLU 19 CO 0.00 -0.66 1.38 -1.25 -0.49 0.00 0.00 175.26 174.24 3mgo s PRO 20 N -2.93 3.29 0.09 0.39 0.04 -1.26 -4.63 135.00 129.98 3mgo s PRO 20 Ca 0.67 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 63.71 3mgo s PRO 20 Cb -0.26 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 3mgo s PRO 20 CO 0.31 -1.09 1.14 0.50 0.04 0.00 0.00 177.00 177.90 3mgo s ARG 21 N -2.77 4.50 -0.09 4.56 6.06 0.38 -4.84 118.95 126.73 3mgo s ARG 21 Ca 0.69 1.71 0.02 0.00 -2.50 0.00 0.00 55.73 55.64 3mgo s ARG 21 Cb -0.42 -3.34 0.02 0.00 0.06 0.00 0.00 34.95 31.27 3mgo s ARG 21 CO 0.51 -0.13 -0.13 0.12 -2.50 0.00 0.00 175.30 173.16 3mgo s PHE 22 N 0.67 1.72 -0.06 5.12 5.36 -1.26 -0.79 117.98 128.75 3mgo s PHE 22 Ca 0.55 -0.75 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 3mgo s PHE 22 Cb -0.28 -1.27 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 3mgo s PHE 22 CO 0.31 -0.41 -0.09 0.42 -1.46 0.00 0.00 175.22 173.99 3mgo s ILE 23 N 0.96 0.87 -0.05 3.12 1.01 -0.36 -1.07 121.20 125.68 3mgo s ILE 23 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3mgo s ILE 23 Cb -0.15 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 3mgo s ILE 23 CO -0.00 0.30 -0.21 0.00 0.00 0.00 0.00 174.94 175.03 3mgo s ALA 24 N 0.77 1.83 0.03 9.38 0.00 -0.10 -1.01 121.76 132.66 3mgo s ALA 24 Ca -0.13 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3mgo s ALA 24 Cb -0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3mgo s ALA 24 CO 0.02 0.33 -0.09 0.14 0.00 0.00 0.00 175.76 176.16 3mgo s VAL 25 N -0.01 0.68 -0.02 0.00 -7.23 -0.53 -0.11 120.40 113.18 3mgo s VAL 25 Ca -0.05 -0.84 0.07 0.00 -1.81 0.00 0.00 61.98 59.36 3mgo s VAL 25 Cb -0.13 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 3mgo s VAL 25 CO 0.03 -0.14 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.61 3mgo s GLY 26 N -1.07 1.20 0.06 2.32 0.00 -0.77 -0.66 107.32 108.40 3mgo s GLY 26 Ca -0.03 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.70 3mgo s GLY 26 CO 0.01 -0.85 -0.19 -0.19 0.00 0.00 0.00 173.10 171.87 3mgo s TYR 27 N -0.53 1.66 -0.24 1.90 1.51 0.45 -1.31 117.35 120.78 3mgo s TYR 27 Ca 0.08 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 3mgo s TYR 27 Cb -0.10 -0.96 0.03 0.00 -0.11 0.00 0.00 41.96 40.82 3mgo s TYR 27 CO -0.00 0.11 -0.07 0.08 -1.11 0.00 0.00 175.55 174.56 3mgo s VAL 28 N -0.95 2.79 0.00 0.71 1.01 0.85 -1.54 120.40 123.27 3mgo s VAL 28 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3mgo s VAL 28 Cb -0.09 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3mgo s VAL 28 CO 0.02 0.21 0.00 0.47 0.00 0.00 0.00 175.10 175.80 3mgo n ASP 29 N 4.65 0.00 -1.93 3.32 8.00 0.64 -1.11 116.55 130.12 3mgo n ASP 29 Ca -0.17 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.37 3mgo n ASP 29 Cb 0.47 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.95 3mgo n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mgo n ASP 30 N 5.95 5.56 -4.07 -2.24 8.00 -1.26 -4.88 116.55 123.60 3mgo n ASP 30 Ca 0.00 -3.01 -0.31 0.00 0.71 0.00 0.00 54.79 52.18 3mgo n ASP 30 Cb 0.00 -0.70 -0.16 0.00 -0.02 0.00 0.00 41.12 40.23 3mgo n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgo s THR 31 N -2.83 1.76 0.31 -3.53 2.01 -0.27 -5.01 115.64 108.09 3mgo s THR 31 Ca 0.55 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.51 3mgo s THR 31 Cb 0.43 -1.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.23 3mgo s THR 31 CO 0.15 0.49 0.99 -1.58 -0.69 0.00 0.00 174.62 173.99 3mgo s GLN 32 N 1.25 4.58 0.00 4.92 0.74 -1.26 -0.11 119.66 129.78 3mgo s GLN 32 Ca 0.01 1.49 0.00 0.00 0.05 0.00 0.00 55.36 56.91 3mgo s GLN 32 Cb -0.14 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.04 3mgo s GLN 32 CO -0.09 0.24 0.00 1.97 -0.55 0.00 0.00 175.29 176.87 3mgo n PHE 33 N 0.77 0.00 -3.93 1.67 -1.74 -0.43 -4.15 117.46 109.65 3mgo n PHE 33 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 3mgo n PHE 33 Cb 0.48 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.41 3mgo n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3mgo s VAL 34 N -0.88 0.09 0.05 1.97 -7.23 -1.24 -0.10 120.40 113.06 3mgo s VAL 34 Ca 0.00 -1.31 -0.27 0.00 -1.81 0.00 0.00 61.98 58.59 3mgo s VAL 34 Cb 0.00 -1.69 0.09 0.00 0.56 0.00 0.00 36.38 35.34 3mgo s VAL 34 CO 0.00 -0.40 0.76 0.00 -0.31 0.00 0.00 175.10 175.15 3mgo s ARG 35 N -3.93 1.02 -0.03 4.82 1.04 -0.66 -1.84 118.95 119.36 3mgo s ARG 35 Ca 0.13 -0.30 -0.01 0.00 -1.04 0.00 0.00 55.73 54.51 3mgo s ARG 35 Cb 0.04 0.47 0.03 0.00 -2.04 0.00 0.00 34.95 33.44 3mgo s ARG 35 CO -0.03 -0.43 0.06 0.12 -0.04 0.00 0.00 175.30 174.98 3mgo s PHE 36 N -3.12 -0.04 -0.19 5.89 5.36 0.84 -1.18 117.98 125.55 3mgo s PHE 36 Ca 0.02 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 3mgo s PHE 36 Cb -0.01 -0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.57 3mgo s PHE 36 CO -0.09 -0.10 -0.07 0.34 -1.46 0.00 0.00 175.22 173.85 3mgo s ASP 37 N 0.90 3.21 0.19 6.13 -1.08 -1.26 -0.92 116.67 123.83 3mgo s ASP 37 Ca -0.07 -0.83 0.13 0.00 -0.52 0.00 0.00 52.55 51.25 3mgo s ASP 37 Cb -0.10 -1.08 0.69 0.00 -1.46 0.00 0.00 42.92 40.97 3mgo s ASP 37 CO -0.03 -0.18 1.39 -1.54 0.52 0.00 0.00 175.17 175.34 3mgo n SER 38 N 4.77 0.33 -0.01 -0.34 3.41 -0.23 -1.22 113.62 120.33 3mgo n SER 38 Ca -0.13 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 3mgo n SER 38 Cb 0.47 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 3mgo n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mgo n ASP 39 N -1.94 0.67 -4.70 4.04 9.92 -1.26 -4.95 116.55 118.32 3mgo n ASP 39 Ca -0.01 -0.34 -0.31 0.00 -0.53 0.00 0.00 54.79 53.61 3mgo n ASP 39 Cb 0.03 1.57 0.14 0.00 -0.64 0.00 0.00 41.12 42.23 3mgo n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mgo s ALA 40 N -3.15 1.69 0.13 2.24 0.00 -0.36 -4.95 121.76 117.36 3mgo s ALA 40 Ca -0.02 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 3mgo s ALA 40 Cb 0.13 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 3mgo s ALA 40 CO 0.80 -2.47 1.32 0.00 0.00 0.00 0.00 175.76 175.41 3mgo h ALA 41 N -1.65 0.40 -0.32 0.00 0.00 -1.93 -3.33 119.26 112.42 3mgo h ALA 41 Ca -0.43 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 53.73 3mgo h ALA 41 Cb 1.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3mgo h ALA 41 CO 0.45 0.80 -0.03 0.66 0.00 0.00 0.00 179.25 181.13 3mgo h SER 42 N 0.25 0.47 -5.91 0.00 4.64 -1.92 -3.46 113.55 107.61 3mgo h SER 42 Ca -0.07 -0.09 -0.44 0.00 -0.47 0.00 0.00 61.79 60.72 3mgo h SER 42 Cb 1.53 -0.12 0.03 0.00 -0.31 0.00 0.00 62.40 63.53 3mgo h SER 42 CO 0.16 0.56 -0.70 0.00 -0.87 0.00 0.00 176.83 175.98 3mgo n GLN 43 N -4.27 -6.26 -4.17 4.77 1.13 -1.25 -4.98 117.38 102.35 3mgo n GLN 43 Ca 0.01 0.71 -0.11 0.00 -1.94 0.00 0.00 57.00 55.67 3mgo n GLN 43 Cb 0.26 -5.65 -0.10 0.00 0.11 0.00 0.00 30.24 24.86 3mgo n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3mgo s ARG 44 N -6.39 0.83 -0.01 -1.09 0.52 -1.26 -5.05 118.95 106.49 3mgo s ARG 44 Ca 0.59 -1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 3mgo s ARG 44 Cb -0.28 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.95 3mgo s ARG 44 CO 0.73 -0.02 1.25 1.41 0.02 0.00 0.00 175.30 178.70 3mgo s MET 45 N -3.82 4.35 0.05 3.54 -2.45 -1.26 -4.64 119.30 115.07 3mgo s MET 45 Ca 0.12 1.78 0.07 0.00 -1.25 0.00 0.00 55.69 56.40 3mgo s MET 45 Cb 0.05 -3.50 -0.03 0.00 1.25 0.00 0.00 34.83 32.59 3mgo s MET 45 CO -0.05 -0.43 -0.16 -1.21 1.05 0.00 0.00 175.02 174.22 3mgo s GLU 46 N 1.96 2.11 0.48 4.11 2.02 -0.32 -4.90 118.70 124.16 3mgo s GLU 46 Ca 0.59 -0.97 -0.21 0.00 0.02 0.00 0.00 54.97 54.40 3mgo s GLU 46 Cb -0.28 -2.23 -0.08 0.00 0.10 0.00 0.00 34.13 31.64 3mgo s GLU 46 CO 0.25 0.54 1.06 -1.25 0.02 0.00 0.00 175.26 175.87 3mgo s PRO 47 N -1.59 3.78 0.00 0.39 0.04 -1.26 -1.65 135.00 134.71 3mgo s PRO 47 Ca 0.16 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3mgo s PRO 47 Cb -0.11 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3mgo s PRO 47 CO 0.07 -0.46 0.42 0.54 0.04 0.00 0.00 177.00 177.61 3mgo n ARG 48 N -0.89 0.34 -4.10 4.56 5.12 0.86 -4.86 116.66 117.69 3mgo n ARG 48 Ca 0.09 -0.49 -0.14 0.00 -1.93 0.00 0.00 57.85 55.38 3mgo n ARG 48 Cb 0.52 -0.62 -0.13 0.00 -1.16 0.00 0.00 32.46 31.07 3mgo n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mgo s ALA 49 N -0.15 0.48 0.30 7.54 0.00 -1.22 -4.68 121.76 124.03 3mgo s ALA 49 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 3mgo s ALA 49 Cb 0.00 -0.02 0.46 0.00 0.00 0.00 0.00 23.12 23.56 3mgo s ALA 49 CO 0.00 0.03 1.95 -1.00 0.00 0.00 0.00 175.76 176.74 3mgo h PRO 50 N 5.21 1.07 0.00 0.00 0.13 -1.94 -2.89 132.00 133.59 3mgo h PRO 50 Ca -0.32 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3mgo h PRO 50 Cb 1.20 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3mgo h PRO 50 CO 0.45 0.71 0.00 -2.67 -0.23 0.00 0.00 178.00 176.26 3mgo n TRP 51 N -4.43 0.47 0.44 1.56 4.27 -1.26 -2.72 117.44 115.78 3mgo n TRP 51 Ca 0.11 0.16 0.11 0.00 -3.89 0.00 0.00 57.50 53.98 3mgo n TRP 51 Cb 0.07 -0.76 -0.04 0.00 -1.36 0.00 0.00 31.31 29.23 3mgo n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3mgo n ILE 52 N -1.90 0.15 0.31 -1.67 0.13 -1.09 -4.08 119.36 111.20 3mgo n ILE 52 Ca 0.05 -0.30 0.20 0.00 -1.10 0.00 0.00 62.75 61.59 3mgo n ILE 52 Cb 0.31 0.20 0.94 0.00 -0.84 0.00 0.00 39.64 40.25 3mgo n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3mgo h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.55 -2.44 114.58 125.19 3mgo h GLU 53 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mgo h GLU 53 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3mgo h GLU 53 CO 0.00 0.00 -0.01 -0.56 -1.00 0.00 0.00 179.01 177.44 3mgo h GLN 54 N 0.00 0.00 -6.92 2.33 3.07 -1.74 -3.45 115.11 108.41 3mgo h GLN 54 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.18 3mgo h GLN 54 Cb 0.23 0.00 0.13 0.00 0.08 0.00 0.00 27.48 27.92 3mgo h GLN 54 CO 0.00 0.01 0.51 0.39 0.09 0.00 0.00 178.83 179.83 3mgo n GLU 55 N -3.10 1.76 -1.91 0.06 -0.58 -0.92 -4.99 120.64 110.96 3mgo n GLU 55 Ca 0.02 0.64 -0.30 0.00 -0.42 0.00 0.00 57.16 57.10 3mgo n GLU 55 Cb 0.42 -2.45 0.20 0.00 -0.57 0.00 0.00 31.44 29.04 3mgo n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3mgo s GLY 56 N -0.74 1.80 0.40 0.62 0.00 -1.26 -4.87 107.32 103.27 3mgo s GLY 56 Ca 0.66 -1.26 0.08 0.00 0.00 0.00 0.00 44.72 44.20 3mgo s GLY 56 CO 0.54 -0.45 2.02 -2.55 0.00 0.00 0.00 173.10 172.65 3mgo h PRO 57 N -1.74 0.57 -0.48 2.90 0.11 -1.98 -2.36 132.00 129.02 3mgo h PRO 57 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3mgo h PRO 57 Cb 1.22 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3mgo h PRO 57 CO 0.35 0.38 0.25 1.49 -0.21 0.00 0.00 178.00 180.26 3mgo h GLU 58 N 0.59 0.68 -0.01 1.05 4.22 -1.98 0.25 114.58 119.37 3mgo h GLU 58 Ca 0.21 -0.09 0.01 0.00 0.08 0.00 0.00 59.36 59.58 3mgo h GLU 58 Cb 0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3mgo h GLU 58 CO -0.06 0.55 -0.06 -0.92 -2.18 0.00 0.00 179.01 176.35 3mgo h TYR 59 N 0.64 -0.14 -0.12 0.92 3.20 -1.79 -0.67 116.97 119.01 3mgo h TYR 59 Ca 0.17 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 3mgo h TYR 59 Cb 0.08 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3mgo h TYR 59 CO -0.01 -0.09 -0.44 -1.49 -1.64 0.00 0.00 178.16 174.48 3mgo h TRP 60 N -0.10 0.35 -0.12 -3.82 4.06 -1.24 0.18 115.95 115.26 3mgo h TRP 60 Ca 0.03 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3mgo h TRP 60 Cb 0.13 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.21 3mgo h TRP 60 CO -0.14 0.69 0.00 -0.44 -3.56 0.00 0.00 178.44 175.00 3mgo h ASP 61 N 0.24 0.21 0.10 -3.49 5.19 -0.38 -1.35 116.42 116.94 3mgo h ASP 61 Ca 0.02 -0.30 -0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3mgo h ASP 61 Cb 0.88 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.33 3mgo h ASP 61 CO 0.07 0.46 -0.05 1.23 -3.12 0.00 0.00 179.24 177.83 3mgo h GLY 62 N -0.05 -0.14 0.98 2.75 0.00 -0.90 -1.05 103.07 104.66 3mgo h GLY 62 Ca 0.03 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3mgo h GLY 62 CO 0.01 -0.05 0.62 0.83 0.00 0.00 0.00 176.54 177.95 3mgo h GLU 63 N -0.20 1.22 -0.27 4.80 4.39 -1.01 -0.83 114.58 122.68 3mgo h GLU 63 Ca -0.01 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3mgo h GLU 63 Cb 0.16 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3mgo h GLU 63 CO 0.02 0.81 0.16 1.15 -1.16 0.00 0.00 179.01 179.99 3mgo h THR 64 N 1.26 1.11 0.26 1.13 2.02 -1.06 -0.90 112.91 116.74 3mgo h THR 64 Ca 0.35 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3mgo h THR 64 Cb -0.11 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3mgo h THR 64 CO -0.09 0.11 -0.19 0.03 0.37 0.00 0.00 175.52 175.76 3mgo h ARG 65 N 0.33 -0.44 -0.54 6.66 3.08 -0.70 -2.19 114.38 120.58 3mgo h ARG 65 Ca 0.10 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3mgo h ARG 65 Cb 0.04 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3mgo h ARG 65 CO -0.02 -0.29 0.34 0.87 -1.07 0.00 0.00 179.97 179.81 3mgo h LYS 66 N -0.45 0.67 -0.24 0.04 1.57 -1.07 -1.75 116.57 115.34 3mgo h LYS 66 Ca -0.02 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3mgo h LYS 66 Cb 0.39 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3mgo h LYS 66 CO 0.00 0.45 -0.09 -0.24 -0.57 0.00 0.00 179.45 179.00 3mgo h VAL 67 N 0.69 1.20 -0.59 0.50 3.04 -1.11 0.04 116.25 120.02 3mgo h VAL 67 Ca 0.21 -0.85 -0.09 0.00 -1.01 0.00 0.00 66.70 64.96 3mgo h VAL 67 Cb -0.03 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.35 3mgo h VAL 67 CO -0.07 0.28 0.04 0.11 -1.01 0.00 0.00 177.57 176.91 3mgo h LYS 68 N 0.36 1.02 -0.55 4.17 1.57 -0.87 -0.53 116.57 121.74 3mgo h LYS 68 Ca 0.07 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3mgo h LYS 68 Cb 0.39 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3mgo h LYS 68 CO 0.02 0.99 0.24 0.00 -0.57 0.00 0.00 179.45 180.13 3mgo h ALA 69 N 0.99 0.71 -0.41 3.86 0.00 -0.48 -1.06 119.26 122.87 3mgo h ALA 69 Ca 0.17 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3mgo h ALA 69 Cb 0.50 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3mgo h ALA 69 CO 0.02 0.30 0.04 0.45 0.00 0.00 0.00 179.25 180.06 3mgo h HIS 70 N 0.74 0.05 -0.05 0.00 3.86 -0.80 -2.01 115.15 116.94 3mgo h HIS 70 Ca 0.19 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 3mgo h HIS 70 Cb 0.15 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3mgo h HIS 70 CO 0.00 -0.04 -0.12 1.03 0.86 0.00 0.00 177.93 179.66 3mgo h SER 71 N 0.15 -0.36 -0.25 2.45 0.87 -0.44 -1.75 113.55 114.22 3mgo h SER 71 Ca 0.20 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3mgo h SER 71 Cb 0.27 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3mgo h SER 71 CO -0.30 -0.17 0.02 1.56 -0.53 0.00 0.00 176.83 177.41 3mgo h GLN 72 N -0.18 0.54 -0.42 2.24 1.08 -1.02 -1.58 115.11 115.77 3mgo h GLN 72 Ca 0.06 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 3mgo h GLN 72 Cb 0.26 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3mgo h GLN 72 CO -0.16 0.56 0.05 1.15 -0.95 0.00 0.00 178.83 179.47 3mgo h THR 73 N 0.52 1.25 -0.29 -0.54 2.02 -1.02 -2.72 112.91 112.13 3mgo h THR 73 Ca 0.11 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 3mgo h THR 73 Cb 0.31 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3mgo h THR 73 CO 0.01 0.32 0.00 0.45 0.37 0.00 0.00 175.52 176.67 3mgo h HIS 74 N 0.55 0.45 -0.79 3.16 3.86 -0.83 -0.90 115.15 120.65 3mgo h HIS 74 Ca 0.12 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3mgo h HIS 74 Cb 0.41 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 3mgo h HIS 74 CO 0.03 0.45 0.38 -0.09 0.86 0.00 0.00 177.93 179.56 3mgo h ARG 75 N 0.43 1.13 -0.21 2.45 2.43 -1.05 -1.79 114.38 117.76 3mgo h ARG 75 Ca 0.10 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3mgo h ARG 75 Cb 0.28 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3mgo h ARG 75 CO 0.01 0.87 -0.36 0.28 -1.51 0.00 0.00 179.97 179.26 3mgo h VAL 76 N 1.12 1.32 -0.92 0.20 2.07 -1.10 -3.23 116.25 115.73 3mgo h VAL 76 Ca 0.27 -1.57 0.10 0.00 0.82 0.00 0.00 66.70 66.32 3mgo h VAL 76 Cb 0.12 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 3mgo h VAL 76 CO -0.03 0.49 0.56 0.44 0.02 0.00 0.00 177.57 179.04 3mgo h ASP 77 N 0.31 0.82 -0.44 0.57 3.32 -0.83 -0.56 116.42 119.62 3mgo h ASP 77 Ca 0.02 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.19 3mgo h ASP 77 Cb 0.95 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 3mgo h ASP 77 CO 0.08 0.47 0.00 -0.07 -1.72 0.00 0.00 179.24 178.00 3mgo h LEU 78 N 0.93 -0.17 -0.28 1.55 3.38 -1.35 0.35 115.31 119.71 3mgo h LEU 78 Ca 0.44 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.48 3mgo h LEU 78 Cb 0.38 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3mgo h LEU 78 CO -0.24 -0.05 0.04 1.23 0.09 0.00 0.00 178.44 179.50 3mgo h GLY 79 N 0.11 0.52 1.07 0.83 0.00 -1.40 -0.75 103.07 103.45 3mgo h GLY 79 Ca 0.22 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.22 3mgo h GLY 79 CO -0.36 0.32 0.56 -0.84 0.00 0.00 0.00 176.54 176.23 3mgo h THR 80 N 0.29 1.16 0.00 4.70 2.02 -0.38 -1.63 112.91 119.07 3mgo h THR 80 Ca 0.09 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.72 3mgo h THR 80 Cb 0.36 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3mgo h THR 80 CO 0.01 0.20 -0.84 -0.07 0.37 0.00 0.00 175.52 175.18 3mgo h LEU 81 N 1.08 0.00 0.00 2.58 3.38 -0.25 -2.14 115.31 119.97 3mgo h LEU 81 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3mgo h LEU 81 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3mgo h LEU 81 CO -0.09 0.84 0.00 -1.14 0.09 0.00 0.00 178.44 178.14 3mgo n ARG 82 N -3.49 0.08 -0.11 1.13 0.63 -0.30 -2.82 116.66 111.79 3mgo n ARG 82 Ca -0.00 0.19 -0.24 0.00 -0.92 0.00 0.00 57.85 56.87 3mgo n ARG 82 Cb 0.82 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 32.12 3mgo n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mgo n GLY 83 N 0.19 -0.51 0.32 5.14 0.00 -0.77 -2.54 105.19 107.01 3mgo n GLY 83 Ca 0.05 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3mgo n GLY 83 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3mgo h TYR 84 N -0.58 0.85 -0.48 1.61 0.05 -1.25 -1.82 116.97 115.36 3mgo h TYR 84 Ca -0.57 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.24 3mgo h TYR 84 Cb 1.70 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 39.18 3mgo h TYR 84 CO -0.00 0.27 0.00 0.66 -1.05 0.00 0.00 178.16 178.04 3mgo n TYR 85 N -4.79 0.63 -3.29 4.88 4.01 -1.13 -4.92 117.16 112.54 3mgo n TYR 85 Ca 0.16 -0.31 -0.14 0.00 -0.16 0.00 0.00 57.90 57.45 3mgo n TYR 85 Cb 0.38 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.42 3mgo n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mgo n ASN 86 N 1.32 -6.67 -4.35 7.72 5.15 -0.69 -5.02 115.26 112.72 3mgo n ASN 86 Ca 0.20 -0.23 -0.22 0.00 -0.60 0.00 0.00 54.58 53.73 3mgo n ASN 86 Cb 0.55 -3.79 -0.11 0.00 -0.53 0.00 0.00 39.78 35.90 3mgo n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3mgo s GLN 87 N -3.42 1.33 0.71 1.20 -0.21 -1.05 -5.06 119.66 113.16 3mgo s GLN 87 Ca 0.10 -1.48 -0.12 0.00 0.02 0.00 0.00 55.36 53.87 3mgo s GLN 87 Cb -0.02 -1.35 0.02 0.00 1.00 0.00 0.00 33.01 32.67 3mgo s GLN 87 CO 0.81 0.26 1.09 -1.54 -2.12 0.00 0.00 175.29 173.79 3mgo s SER 88 N -2.87 4.94 0.00 5.90 1.04 -1.26 -4.85 113.70 116.60 3mgo s SER 88 Ca 0.19 1.83 0.28 0.00 0.48 0.00 0.00 55.95 58.72 3mgo s SER 88 Cb -0.05 -2.52 1.46 0.00 0.10 0.00 0.00 66.02 65.01 3mgo s SER 88 CO 0.08 -1.74 1.96 -0.62 0.98 0.00 0.00 173.24 173.90 3mgo n GLU 89 N -3.04 1.23 0.04 4.02 1.02 -1.26 -3.72 120.64 118.94 3mgo n GLU 89 Ca 0.09 -0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 56.89 3mgo n GLU 89 Cb 0.53 -1.45 -0.08 0.00 -0.02 0.00 0.00 31.44 30.42 3mgo n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mgo h ALA 90 N 4.02 0.66 -2.72 0.62 0.00 -1.96 -3.43 119.26 116.45 3mgo h ALA 90 Ca 0.00 -0.85 -0.50 0.00 0.00 0.00 0.00 54.91 53.56 3mgo h ALA 90 Cb 0.17 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3mgo h ALA 90 CO 0.00 0.94 0.33 0.20 0.00 0.00 0.00 179.25 180.72 3mgo s GLY 91 N -4.77 3.08 0.11 0.00 0.00 -1.24 -4.66 107.32 99.83 3mgo s GLY 91 Ca -0.02 0.58 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 3mgo s GLY 91 CO 0.80 1.19 0.93 -0.45 0.00 0.00 0.00 173.10 175.57 3mgo s SER 92 N -0.99 7.46 0.11 1.64 0.15 -1.26 -4.75 113.70 116.06 3mgo s SER 92 Ca 0.41 1.75 0.03 0.00 0.70 0.00 0.00 55.95 58.84 3mgo s SER 92 Cb -0.25 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.45 3mgo s SER 92 CO 0.31 -0.03 -0.08 -1.00 1.20 0.00 0.00 173.24 173.64 3mgo s HIS 93 N -0.12 1.00 -0.09 3.44 3.76 -1.25 -4.95 115.29 117.07 3mgo s HIS 93 Ca 0.45 -0.84 0.04 0.00 -0.15 0.00 0.00 55.06 54.56 3mgo s HIS 93 Cb -0.23 -0.55 -0.00 0.00 1.11 0.00 0.00 32.58 32.91 3mgo s HIS 93 CO 0.29 -0.07 -0.23 0.99 -0.85 0.00 0.00 174.74 174.87 3mgo s THR 94 N -3.37 1.99 -0.12 1.30 2.01 -1.26 -1.73 115.64 114.46 3mgo s THR 94 Ca 0.12 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.17 3mgo s THR 94 Cb 0.03 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.83 3mgo s THR 94 CO -0.03 0.54 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.54 3mgo s VAL 95 N 0.31 2.17 -0.03 3.82 1.01 0.45 -0.67 120.40 127.47 3mgo s VAL 95 Ca -0.17 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 60.90 3mgo s VAL 95 Cb -0.17 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3mgo s VAL 95 CO 0.08 0.55 -0.20 -1.10 0.00 0.00 0.00 175.10 174.43 3mgo s GLN 96 N 0.50 1.74 0.02 2.72 -0.21 -0.65 0.02 119.66 123.79 3mgo s GLN 96 Ca -0.14 -0.71 0.05 0.00 0.02 0.00 0.00 55.36 54.57 3mgo s GLN 96 Cb -0.17 -1.62 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 3mgo s GLN 96 CO 0.05 0.38 -0.14 0.50 -2.12 0.00 0.00 175.29 173.97 3mgo s ARG 97 N -0.33 1.01 -0.03 2.91 3.52 -0.28 -0.83 118.95 124.93 3mgo s ARG 97 Ca 0.04 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3mgo s ARG 97 Cb -0.09 -1.00 0.02 0.00 -1.56 0.00 0.00 34.95 32.32 3mgo s ARG 97 CO 0.00 0.26 -0.02 1.41 -0.81 0.00 0.00 175.30 176.14 3mgo s MET 98 N -0.74 0.49 0.12 5.12 -2.45 -0.49 -0.20 119.30 121.15 3mgo s MET 98 Ca 0.03 -0.03 -0.07 0.00 -1.25 0.00 0.00 55.69 54.37 3mgo s MET 98 Cb -0.07 -0.57 -0.01 0.00 1.25 0.00 0.00 34.83 35.43 3mgo s MET 98 CO 0.00 -0.07 0.19 1.52 1.05 0.00 0.00 175.02 177.72 3mgo s TYR 99 N 0.77 0.38 -5.00 4.11 -0.85 -0.96 -1.06 117.35 114.74 3mgo s TYR 99 Ca -0.09 -0.79 0.00 0.00 -0.52 0.00 0.00 57.07 55.68 3mgo s TYR 99 Cb -0.12 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.08 3mgo s TYR 99 CO -0.01 -0.60 0.00 0.41 -1.52 0.00 0.00 175.55 173.83 3mgo n GLY 100 N -0.12 -0.99 3.20 5.49 0.00 -1.16 -0.26 105.19 111.36 3mgo n GLY 100 Ca -0.10 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 3mgo n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgo s ASP 102 N -2.41 4.72 0.05 0.00 1.01 0.11 -1.28 116.67 118.87 3mgo s ASP 102 Ca -0.01 -0.26 0.06 0.00 0.71 0.00 0.00 52.55 53.05 3mgo s ASP 102 Cb 0.01 -1.03 -0.02 0.00 1.01 0.00 0.00 42.92 42.89 3mgo s ASP 102 CO -0.07 0.19 -0.18 0.68 0.21 0.00 0.00 175.17 176.00 3mgo s VAL 103 N -1.24 1.42 0.00 -1.27 -7.23 0.10 -1.43 120.40 110.74 3mgo s VAL 103 Ca 0.23 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3mgo s VAL 103 Cb -0.11 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.57 3mgo s VAL 103 CO 0.15 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 3mgo n GLY 104 N 1.75 -0.80 0.23 2.32 0.00 -0.93 -1.67 105.19 106.08 3mgo n GLY 104 Ca -0.18 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.30 3mgo n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mgo h SER 105 N -0.00 0.00 -0.02 1.61 0.02 -1.91 -1.62 113.55 111.62 3mgo h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mgo h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3mgo h SER 105 CO 0.00 0.23 0.00 -0.90 -1.14 0.00 0.00 176.83 175.02 3mgo n ASP 106 N -3.60 0.58 -1.05 3.07 5.68 -1.26 -4.89 116.55 115.09 3mgo n ASP 106 Ca -0.01 -1.30 -0.14 0.00 -0.50 0.00 0.00 54.79 52.85 3mgo n ASP 106 Cb 0.37 -0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 40.28 3mgo n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3mgo n TRP 107 N -0.50 0.00 -3.33 2.11 7.02 -0.61 -4.99 117.44 117.14 3mgo n TRP 107 Ca 0.20 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.37 3mgo n TRP 107 Cb 0.19 -2.67 -0.04 0.00 -2.42 0.00 0.00 31.31 26.37 3mgo n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3mgo s ARG 108 N -3.09 3.73 0.34 -0.99 0.52 -1.26 -4.79 118.95 113.40 3mgo s ARG 108 Ca 0.00 0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 55.13 3mgo s ARG 108 Cb 0.00 -2.62 -0.13 0.00 0.52 0.00 0.00 34.95 32.71 3mgo s ARG 108 CO 0.00 0.24 0.76 0.34 0.02 0.00 0.00 175.30 176.66 3mgo n PHE 109 N -0.58 0.31 0.00 -0.53 -0.00 -1.26 -2.20 117.46 113.20 3mgo n PHE 109 Ca -0.00 0.69 0.00 0.00 -0.00 0.00 0.00 57.45 58.14 3mgo n PHE 109 Cb 0.53 -2.10 0.00 0.00 -0.00 0.00 0.00 39.48 37.91 3mgo n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3mgo n LEU 110 N 1.28 0.85 -3.63 -2.13 0.00 -0.51 -4.71 117.00 108.14 3mgo n LEU 110 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 56.03 3mgo n LEU 110 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.70 3mgo n LEU 110 CO 0.57 0.14 0.72 -0.60 0.00 0.00 0.00 177.39 178.23 3mgo s ARG 111 N -1.34 0.53 0.13 1.96 3.52 -1.19 -4.98 118.95 117.58 3mgo s ARG 111 Ca 0.00 0.58 0.09 0.00 -0.13 0.00 0.00 55.73 56.27 3mgo s ARG 111 Cb 0.00 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 3mgo s ARG 111 CO 0.00 -0.07 -0.20 0.20 -0.81 0.00 0.00 175.30 174.41 3mgo s GLY 112 N 0.13 1.33 0.07 8.12 0.00 -1.26 -0.71 107.32 114.99 3mgo s GLY 112 Ca 0.03 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.43 3mgo s GLY 112 CO -0.05 -1.37 -0.12 -0.19 0.00 0.00 0.00 173.10 171.37 3mgo s TYR 113 N -1.48 1.05 -0.29 1.90 1.51 -0.42 -4.83 117.35 114.78 3mgo s TYR 113 Ca 0.10 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 3mgo s TYR 113 Cb -0.08 -0.59 0.19 0.00 -0.11 0.00 0.00 41.96 41.36 3mgo s TYR 113 CO 0.05 0.01 0.79 -1.58 -1.11 0.00 0.00 175.55 173.72 3mgo s HIS 114 N -1.55 -1.23 0.03 2.71 2.46 -1.25 -2.99 115.29 113.48 3mgo s HIS 114 Ca -0.02 0.82 0.03 0.00 0.47 0.00 0.00 55.06 56.35 3mgo s HIS 114 Cb -0.08 0.25 -0.02 0.00 -0.13 0.00 0.00 32.58 32.59 3mgo s HIS 114 CO 0.01 -0.71 -0.09 -0.65 -2.47 0.00 0.00 174.74 170.84 3mgo s GLN 115 N 2.89 0.60 0.15 2.88 -0.21 -0.22 -0.71 119.66 125.03 3mgo s GLN 115 Ca 0.16 -0.64 0.11 0.00 0.02 0.00 0.00 55.36 55.02 3mgo s GLN 115 Cb -0.08 -0.48 -0.04 0.00 1.00 0.00 0.00 33.01 33.42 3mgo s GLN 115 CO -0.23 0.11 -0.25 0.71 -2.12 0.00 0.00 175.29 173.50 3mgo s TYR 116 N -0.98 2.25 0.00 0.91 1.51 0.41 -1.40 117.35 120.06 3mgo s TYR 116 Ca -0.04 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3mgo s TYR 116 Cb -0.08 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 3mgo s TYR 116 CO 0.01 0.37 -0.04 0.00 -1.11 0.00 0.00 175.55 174.78 3mgo s ALA 117 N -1.27 0.30 -0.19 3.71 0.00 -0.01 -1.65 121.76 122.66 3mgo s ALA 117 Ca 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 3mgo s ALA 117 Cb -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3mgo s ALA 117 CO 0.07 0.05 -0.16 -0.47 0.00 0.00 0.00 175.76 175.25 3mgo s TYR 118 N -0.25 2.83 -1.46 0.00 5.04 -0.36 -1.64 117.35 121.51 3mgo s TYR 118 Ca -0.00 -1.50 -0.09 0.00 -2.44 0.00 0.00 57.07 53.04 3mgo s TYR 118 Cb -0.02 -1.96 0.04 0.00 0.35 0.00 0.00 41.96 40.36 3mgo s TYR 118 CO -0.00 -0.75 0.81 -0.25 -1.34 0.00 0.00 175.55 174.02 3mgo n ASP 119 N 4.66 -5.41 0.00 4.32 8.00 0.16 -2.45 116.55 125.83 3mgo n ASP 119 Ca -0.20 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.81 3mgo n ASP 119 Cb 0.50 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 3mgo n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgo n GLY 120 N -1.61 0.73 3.33 0.44 0.00 -1.26 -5.01 105.19 101.80 3mgo n GLY 120 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3mgo n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgo s LYS 121 N -0.28 1.79 0.08 1.61 1.02 -1.02 -5.09 119.74 117.84 3mgo s LYS 121 Ca 0.00 -1.07 -0.37 0.00 0.02 0.00 0.00 55.97 54.56 3mgo s LYS 121 Cb 0.00 -1.93 -0.17 0.00 -0.52 0.00 0.00 37.83 35.21 3mgo s LYS 121 CO 0.00 0.50 1.30 -0.25 -0.92 0.00 0.00 175.35 175.99 3mgo n ASP 122 N 1.87 1.46 -0.00 2.83 8.00 -1.26 -1.22 116.55 128.22 3mgo n ASP 122 Ca -0.17 1.12 -0.00 0.00 0.71 0.00 0.00 54.79 56.46 3mgo n ASP 122 Cb 0.52 -1.16 -0.00 0.00 -0.02 0.00 0.00 41.12 40.46 3mgo n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mgo n TYR 123 N 2.37 0.00 -4.01 1.24 9.36 -0.66 -4.72 117.16 120.75 3mgo n TYR 123 Ca 0.18 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.29 3mgo n TYR 123 Cb 0.18 -0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.77 3mgo n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3mgo s ILE 124 N -1.02 0.25 -0.09 2.97 2.07 -1.22 -2.27 121.20 121.89 3mgo s ILE 124 Ca -0.00 -0.69 -0.08 0.00 -1.41 0.00 0.00 60.65 58.47 3mgo s ILE 124 Cb 0.00 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.29 3mgo s ILE 124 CO 0.00 -0.29 0.23 0.00 -1.91 0.00 0.00 174.94 172.98 3mgo s ALA 125 N -0.98 -0.57 0.01 1.50 0.00 -1.06 -0.44 121.76 120.22 3mgo s ALA 125 Ca -0.09 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 3mgo s ALA 125 Cb -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 3mgo s ALA 125 CO -0.00 -0.12 1.20 -1.17 0.00 0.00 0.00 175.76 175.66 3mgo s LEU 126 N 0.29 4.34 0.97 0.00 2.96 0.12 -0.59 118.68 126.77 3mgo s LEU 126 Ca -0.01 1.93 -0.13 0.00 -0.22 0.00 0.00 54.13 55.70 3mgo s LEU 126 Cb -0.03 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 43.26 3mgo s LEU 126 CO -0.01 -0.51 1.12 -0.54 -1.32 0.00 0.00 176.35 175.09 3mgo s LYS 127 N 1.53 0.63 0.29 1.98 1.02 0.29 -4.57 119.74 120.91 3mgo s LYS 127 Ca 0.58 0.36 -0.02 0.00 0.02 0.00 0.00 55.97 56.90 3mgo s LYS 127 Cb -0.27 -1.77 0.42 0.00 -0.52 0.00 0.00 37.83 35.69 3mgo s LYS 127 CO 0.26 -2.56 1.96 1.49 -0.92 0.00 0.00 175.35 175.58 3mgo h GLU 128 N -1.76 1.12 0.00 1.68 4.81 -1.88 0.21 114.58 118.75 3mgo h GLU 128 Ca -0.52 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 3mgo h GLU 128 Cb 1.33 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3mgo h GLU 128 CO 0.58 0.74 0.00 -0.40 -0.73 0.00 0.00 179.01 179.20 3mgo n ASP 129 N -4.41 0.02 -2.41 1.04 5.68 -1.26 -4.78 116.55 110.43 3mgo n ASP 129 Ca 0.10 0.51 -0.20 0.00 -0.50 0.00 0.00 54.79 54.69 3mgo n ASP 129 Cb 0.04 -0.51 -0.00 0.00 -1.14 0.00 0.00 41.12 39.50 3mgo n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mgo n LEU 130 N -1.53 -2.05 0.00 -2.12 4.77 0.06 -4.80 117.00 111.33 3mgo n LEU 130 Ca 0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3mgo n LEU 130 Cb 0.09 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.32 3mgo n LEU 130 CO 0.08 -0.14 -0.21 0.54 -1.33 0.00 0.00 177.39 176.33 3mgo n ARG 131 N -3.11 2.06 -4.43 3.23 1.74 -1.26 -4.62 116.66 110.28 3mgo n ARG 131 Ca -0.22 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.63 3mgo n ARG 131 Cb 0.67 -0.71 -0.10 0.00 -1.02 0.00 0.00 32.46 31.30 3mgo n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mgo s SER 132 N -1.61 3.33 0.11 0.55 1.04 -1.26 -4.89 113.70 110.97 3mgo s SER 132 Ca 0.00 -0.99 0.07 0.00 0.48 0.00 0.00 55.95 55.51 3mgo s SER 132 Cb 0.00 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 3mgo s SER 132 CO 0.00 0.01 -0.10 0.26 0.98 0.00 0.00 173.24 174.39 3mgo s TRP 133 N -2.43 2.73 -0.35 5.02 0.52 -1.26 -0.55 118.94 122.62 3mgo s TRP 133 Ca 0.26 -0.16 -0.08 0.00 0.02 0.00 0.00 56.10 56.14 3mgo s TRP 133 Cb -0.05 -1.43 0.03 0.00 -1.15 0.00 0.00 33.47 30.88 3mgo s TRP 133 CO 0.12 0.43 0.15 0.99 0.02 0.00 0.00 176.95 178.66 3mgo s THR 134 N -1.22 4.12 -0.28 2.01 2.01 0.24 -4.90 115.64 117.63 3mgo s THR 134 Ca 0.21 -1.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 3mgo s THR 134 Cb -0.11 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3mgo s THR 134 CO 0.14 -0.21 0.21 0.00 -0.69 0.00 0.00 174.62 174.07 3mgo s ALA 135 N 1.47 3.54 0.04 7.40 0.00 -1.26 -2.58 121.76 130.37 3mgo s ALA 135 Ca -0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 3mgo s ALA 135 Cb -0.19 -2.51 -0.17 0.00 0.00 0.00 0.00 23.12 20.24 3mgo s ALA 135 CO 0.04 -0.56 1.41 0.00 0.00 0.00 0.00 175.76 176.65 3mgo h ALA 136 N 8.34 -0.80 -3.31 0.00 0.00 -1.74 -3.47 119.26 118.28 3mgo h ALA 136 Ca -0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3mgo h ALA 136 Cb 1.19 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3mgo h ALA 136 CO 0.56 -0.87 0.00 -0.40 0.00 0.00 0.00 179.25 178.54 3mgo n ASP 137 N -5.38 0.74 -0.08 0.00 5.68 -1.26 -5.03 116.55 111.23 3mgo n ASP 137 Ca -0.12 -0.84 -0.08 0.00 -0.50 0.00 0.00 54.79 53.25 3mgo n ASP 137 Cb 0.35 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.32 3mgo n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3mgo h MET 138 N 0.00 0.25 -0.62 0.11 2.86 -2.00 -2.17 114.93 113.36 3mgo h MET 138 Ca 0.00 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3mgo h MET 138 Cb 0.00 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 3mgo h MET 138 CO 0.00 0.16 0.37 0.00 1.06 0.00 0.00 176.91 178.51 3mgo h ALA 139 N 1.17 0.80 -0.14 6.32 0.00 -1.97 -1.65 119.26 123.79 3mgo h ALA 139 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3mgo h ALA 139 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mgo h ALA 139 CO -0.11 0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.23 3mgo h ALA 140 N 1.27 1.72 -0.58 0.00 0.00 -1.78 -2.30 119.26 117.59 3mgo h ALA 140 Ca 0.25 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3mgo h ALA 140 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3mgo h ALA 140 CO -0.11 0.21 0.35 1.96 0.00 0.00 0.00 179.25 181.67 3mgo h GLN 141 N 0.20 0.67 -0.09 0.00 1.08 -0.66 0.14 115.11 116.45 3mgo h GLN 141 Ca 0.05 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3mgo h GLN 141 Cb 0.16 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 3mgo h GLN 141 CO 0.00 0.44 -0.15 1.15 -0.95 0.00 0.00 178.83 179.33 3mgo h THR 142 N 0.69 0.61 -0.57 -0.54 2.02 -1.30 0.21 112.91 114.03 3mgo h THR 142 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.43 3mgo h THR 142 Cb 0.03 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3mgo h THR 142 CO -0.10 0.00 0.37 0.74 0.37 0.00 0.00 175.52 176.89 3mgo h THR 143 N -0.21 1.11 -0.31 3.16 2.02 -1.43 -0.84 112.91 116.41 3mgo h THR 143 Ca 0.08 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.08 3mgo h THR 143 Cb 0.32 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 3mgo h THR 143 CO -0.21 0.13 -0.16 0.50 0.37 0.00 0.00 175.52 176.15 3mgo h LYS 144 N 0.74 -0.11 -0.30 6.66 3.64 0.01 0.15 116.57 127.35 3mgo h LYS 144 Ca 0.22 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3mgo h LYS 144 Cb -0.04 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3mgo h LYS 144 CO -0.07 -0.07 0.15 0.45 -2.27 0.00 0.00 179.45 177.64 3mgo h HIS 145 N -0.12 0.43 -0.71 1.91 3.86 -0.66 -0.88 115.15 118.98 3mgo h HIS 145 Ca 0.16 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.45 3mgo h HIS 145 Cb 0.36 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.63 3mgo h HIS 145 CO -0.36 0.37 0.36 -0.22 0.86 0.00 0.00 177.93 178.93 3mgo h LYS 146 N 0.36 0.59 0.00 2.45 3.64 -0.48 -1.83 116.57 121.30 3mgo h LYS 146 Ca 0.11 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 3mgo h LYS 146 Cb 0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3mgo h LYS 146 CO -0.01 0.39 -0.83 -1.49 -2.27 0.00 0.00 179.45 175.23 3mgo h TRP 147 N 0.60 0.00 -0.45 1.91 4.06 -0.47 -2.80 115.95 118.81 3mgo h TRP 147 Ca 0.35 -0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.24 3mgo h TRP 147 Cb 0.37 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.51 3mgo h TRP 147 CO -0.11 0.83 0.04 0.93 -3.56 0.00 0.00 178.44 176.58 3mgo h GLU 148 N 0.00 0.77 -0.14 0.49 5.08 -0.77 -0.68 114.58 119.33 3mgo h GLU 148 Ca -0.01 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 3mgo h GLU 148 Cb 1.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 3mgo h GLU 148 CO 0.11 0.81 -0.21 0.00 -1.00 0.00 0.00 179.01 178.71 3mgo h ALA 149 N 0.93 1.39 -0.33 3.43 0.00 -1.28 -1.84 119.26 121.57 3mgo h ALA 149 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mgo h ALA 149 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mgo h ALA 149 CO 0.01 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3mgo n ALA 150 N -2.48 2.46 -3.91 0.00 0.00 -1.06 -4.94 120.51 110.58 3mgo n ALA 150 Ca -0.01 -0.73 -0.27 0.00 0.00 0.00 0.00 53.44 52.43 3mgo n ALA 150 Cb 0.33 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.79 3mgo n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mgo n HIS 151 N 0.76 -1.97 -0.18 0.00 -0.00 -0.69 -4.87 115.22 108.27 3mgo n HIS 151 Ca 0.16 0.84 -0.04 0.00 -0.00 0.00 0.00 57.72 58.68 3mgo n HIS 151 Cb 0.41 -3.90 0.15 0.00 -0.00 0.00 0.00 29.99 26.64 3mgo n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3mgo h VAL 152 N -1.89 1.24 -0.53 1.59 2.07 -1.40 -3.10 116.25 114.23 3mgo h VAL 152 Ca -0.60 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 3mgo h VAL 152 Cb 1.37 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3mgo h VAL 152 CO 0.65 0.32 0.30 0.00 0.02 0.00 0.00 177.57 178.86 3mgo h ALA 153 N 1.27 0.68 -0.77 1.67 0.00 -1.90 -1.98 119.26 118.23 3mgo h ALA 153 Ca 0.20 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3mgo h ALA 153 Cb 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3mgo h ALA 153 CO -0.00 0.19 0.51 0.93 0.00 0.00 0.00 179.25 180.87 3mgo h GLU 154 N 0.71 0.93 -0.09 0.00 3.07 -1.80 0.90 114.58 118.30 3mgo h GLU 154 Ca 0.19 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 3mgo h GLU 154 Cb 0.03 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 3mgo h GLU 154 CO -0.03 0.61 -0.27 1.96 -1.40 0.00 0.00 179.01 179.88 3mgo h GLN 155 N 0.95 0.34 -0.59 2.33 4.20 -1.52 -2.86 115.11 117.96 3mgo h GLN 155 Ca 0.31 -0.25 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3mgo h GLN 155 Cb 0.03 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3mgo h GLN 155 CO -0.09 0.87 0.36 -0.07 -0.67 0.00 0.00 178.83 179.23 3mgo h LEU 156 N -0.13 0.59 -0.63 1.46 3.38 -1.00 -2.65 115.31 116.33 3mgo h LEU 156 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3mgo h LEU 156 Cb 0.90 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3mgo h LEU 156 CO 0.06 0.41 0.32 -0.09 0.09 0.00 0.00 178.44 179.23 3mgo h ARG 157 N 0.71 0.57 -0.47 1.13 2.43 -0.84 0.75 114.38 118.65 3mgo h ARG 157 Ca 0.24 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3mgo h ARG 157 Cb 0.02 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3mgo h ARG 157 CO -0.10 0.38 0.31 0.00 -1.51 0.00 0.00 179.97 179.04 3mgo h ALA 158 N 1.36 1.65 -0.02 2.80 0.00 -1.24 -0.03 119.26 123.79 3mgo h ALA 158 Ca 0.30 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3mgo h ALA 158 Cb 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mgo h ALA 158 CO -0.22 0.32 -0.29 -0.92 0.00 0.00 0.00 179.25 178.15 3mgo h TYR 159 N 0.64 0.32 -0.41 0.00 3.20 -1.00 -1.96 116.97 117.76 3mgo h TYR 159 Ca 0.17 -0.16 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3mgo h TYR 159 Cb -0.06 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3mgo h TYR 159 CO 0.00 0.94 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.38 3mgo h LEU 160 N -0.38 0.64 0.00 2.82 3.38 -0.56 0.11 115.31 121.31 3mgo h LEU 160 Ca -0.03 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3mgo h LEU 160 Cb 1.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3mgo h LEU 160 CO 0.06 0.71 -1.05 -0.33 0.09 0.00 0.00 178.44 177.93 3mgo h GLU 161 N 0.63 0.00 0.00 1.13 5.08 -1.12 -3.33 114.58 116.97 3mgo h GLU 161 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3mgo h GLU 161 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3mgo h GLU 161 CO 0.02 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 3mgo n GLY 162 N 1.29 0.11 0.37 -3.84 0.00 -0.74 -4.62 105.19 97.76 3mgo n GLY 162 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3mgo n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mgo h THR 163 N 0.00 0.16 -0.34 2.61 2.02 -1.60 0.11 112.91 115.87 3mgo h THR 163 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3mgo h THR 163 Cb 0.00 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 66.49 3mgo h THR 163 CO 0.00 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.63 3mgo h VAL 165 N -0.22 1.13 -0.34 0.00 2.07 -1.56 -1.20 116.25 116.13 3mgo h VAL 165 Ca 0.17 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3mgo h VAL 165 Cb 0.49 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3mgo h VAL 165 CO -0.47 0.13 0.21 -0.33 0.02 0.00 0.00 177.57 177.13 3mgo h GLU 166 N 0.33 0.42 0.00 1.57 5.08 0.26 -1.71 114.58 120.53 3mgo h GLU 166 Ca 0.10 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 3mgo h GLU 166 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3mgo h GLU 166 CO -0.02 0.27 -0.68 -1.49 -1.00 0.00 0.00 179.01 176.10 3mgo h TRP 167 N 0.43 0.00 -0.39 4.33 4.06 -0.59 -2.52 115.95 121.26 3mgo h TRP 167 Ca 0.13 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.11 3mgo h TRP 167 Cb -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 3mgo h TRP 167 CO -0.07 0.68 0.18 1.25 -3.56 0.00 0.00 178.44 176.93 3mgo h LEU 168 N 0.00 0.25 -0.56 -4.49 5.85 -0.87 -0.55 115.31 114.93 3mgo h LEU 168 Ca -0.01 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3mgo h LEU 168 Cb 1.26 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 3mgo h LEU 168 CO 0.09 0.19 0.28 0.03 -0.34 0.00 0.00 178.44 178.68 3mgo h ARG 169 N 0.37 0.50 -0.45 1.25 3.08 -1.12 -1.62 114.38 116.40 3mgo h ARG 169 Ca 0.17 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.20 3mgo h ARG 169 Cb 0.10 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3mgo h ARG 169 CO -0.13 0.33 0.29 -0.09 -1.07 0.00 0.00 179.97 179.30 3mgo h ARG 170 N 0.52 0.56 -0.81 0.04 2.43 -0.97 -2.20 114.38 113.95 3mgo h ARG 170 Ca 0.26 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3mgo h ARG 170 Cb 0.20 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3mgo h ARG 170 CO -0.20 0.37 0.35 1.88 -1.51 0.00 0.00 179.97 180.87 3mgo h TYR 171 N 0.58 1.21 -0.46 2.20 0.05 -0.78 -0.09 116.97 119.67 3mgo h TYR 171 Ca 0.17 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 3mgo h TYR 171 Cb -0.03 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.32 3mgo h TYR 171 CO -0.05 0.89 0.26 -0.07 -1.05 0.00 0.00 178.16 178.14 3mgo h LEU 172 N 1.17 0.55 0.04 3.88 3.38 -0.90 0.18 115.31 123.61 3mgo h LEU 172 Ca 0.27 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3mgo h LEU 172 Cb 0.17 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3mgo h LEU 172 CO -0.03 0.44 -0.26 -0.33 0.09 0.00 0.00 178.44 178.35 3mgo h GLU 173 N 0.63 0.10 -0.37 1.13 5.08 -0.93 -2.59 114.58 117.62 3mgo h GLU 173 Ca 0.16 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3mgo h GLU 173 Cb 0.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3mgo h GLU 173 CO -0.03 1.08 -0.01 -0.91 -1.00 0.00 0.00 179.01 178.14 3mgo h ASN 174 N -0.80 0.55 -0.74 1.42 -0.26 -0.91 -2.78 115.58 112.06 3mgo h ASN 174 Ca -0.04 -0.11 -0.46 0.00 -0.56 0.00 0.00 56.30 55.12 3mgo h ASN 174 Cb 1.20 -0.14 -0.26 0.00 -1.06 0.00 0.00 38.32 38.06 3mgo h ASN 174 CO 0.05 0.62 0.21 0.61 -1.06 0.00 0.00 177.43 177.86 3mgo n GLY 175 N -0.81 5.37 0.24 2.83 0.00 0.64 -4.77 105.19 108.68 3mgo n GLY 175 Ca 0.02 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.28 3mgo n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mgo h LYS 176 N 1.50 0.36 -0.79 1.61 3.64 -1.16 0.38 116.57 122.10 3mgo h LYS 176 Ca 0.45 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.91 3mgo h LYS 176 Cb 1.66 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.34 3mgo h LYS 176 CO 0.95 0.24 0.52 1.49 -2.27 0.00 0.00 179.45 180.37 3mgo h GLU 177 N 0.37 0.65 0.00 1.90 4.81 -1.87 -1.45 114.58 118.99 3mgo h GLU 177 Ca 0.33 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 59.24 3mgo h GLU 177 Cb 0.44 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3mgo h GLU 177 CO -0.35 0.43 -2.03 0.25 -0.73 0.00 0.00 179.01 176.57 3mgo n THR 178 N -4.51 1.04 0.08 0.32 -2.24 -0.94 -4.21 114.28 103.81 3mgo n THR 178 Ca 0.14 -0.51 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 3mgo n THR 178 Cb 0.37 -0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 3mgo n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3mgo h LEU 179 N 0.00 0.00 -3.10 3.22 3.38 -0.25 -3.25 115.31 115.31 3mgo h LEU 179 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3mgo h LEU 179 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3mgo h LEU 179 CO -0.02 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3mgo n GLN 180 N -3.39 3.36 -3.09 1.13 6.02 -0.55 -4.97 117.38 115.90 3mgo n GLN 180 Ca 0.00 -2.68 -0.31 0.00 -0.01 0.00 0.00 57.00 54.00 3mgo n GLN 180 Cb 0.88 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 30.37 3mgo n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3mgo s ARG 181 N -1.82 3.85 -0.22 -1.09 1.70 -1.23 -5.01 118.95 115.13 3mgo s ARG 181 Ca 0.43 0.47 -0.01 0.00 -0.47 0.00 0.00 55.73 56.16 3mgo s ARG 181 Cb 0.28 -2.47 0.06 0.00 -0.57 0.00 0.00 34.95 32.26 3mgo s ARG 181 CO 0.20 0.11 -0.02 0.95 -1.08 0.00 0.00 175.30 175.45 3mgo s THR 182 N -2.12 1.17 -0.53 4.99 -4.23 -1.26 -4.68 115.64 108.98 3mgo s THR 182 Ca 0.51 -0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 59.88 3mgo s THR 182 Cb -0.10 -1.50 0.07 0.00 1.34 0.00 0.00 72.50 72.31 3mgo s THR 182 CO 0.24 -0.11 0.63 -1.81 -0.54 0.00 0.00 174.62 173.03 3mgo s ASP 183 N 1.57 6.20 0.42 3.99 1.01 -0.52 -4.84 116.67 124.49 3mgo s ASP 183 Ca -0.04 -1.12 -0.27 0.00 0.71 0.00 0.00 52.55 51.84 3mgo s ASP 183 Cb -0.18 -2.28 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 3mgo s ASP 183 CO -0.07 -0.94 1.45 0.00 0.21 0.00 0.00 175.17 175.83 3mgo s ALA 184 N 2.55 3.39 0.42 5.23 0.00 -1.26 -1.52 121.76 130.57 3mgo s ALA 184 Ca 0.13 1.52 -0.26 0.00 0.00 0.00 0.00 51.96 53.34 3mgo s ALA 184 Cb -0.21 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 3mgo s ALA 184 CO 0.10 -1.13 1.39 -1.25 0.00 0.00 0.00 175.76 174.86 3mgo s PRO 185 N -2.29 3.88 -0.29 0.00 0.04 -1.26 -4.59 135.00 130.48 3mgo s PRO 185 Ca 0.57 2.34 -0.21 0.00 0.04 0.00 0.00 61.00 63.75 3mgo s PRO 185 Cb -0.45 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 3mgo s PRO 185 CO 0.59 -0.63 0.66 0.15 0.04 0.00 0.00 177.00 177.81 3mgo s LYS 186 N -2.29 3.96 0.08 4.56 -0.14 0.11 -4.81 119.74 121.20 3mgo s LYS 186 Ca 0.58 0.41 0.06 0.00 -1.36 0.00 0.00 55.97 55.66 3mgo s LYS 186 Cb -0.42 -3.71 -0.04 0.00 -1.68 0.00 0.00 37.83 31.98 3mgo s LYS 186 CO 0.55 -0.55 -0.06 0.95 -0.76 0.00 0.00 175.35 175.47 3mgo s THR 187 N 2.65 3.62 0.27 2.17 -4.23 -1.26 -0.95 115.64 117.92 3mgo s THR 187 Ca 0.27 -1.08 -0.20 0.00 -1.18 0.00 0.00 61.69 59.50 3mgo s THR 187 Cb -0.15 -2.68 0.05 0.00 1.34 0.00 0.00 72.50 71.06 3mgo s THR 187 CO 0.11 0.18 0.84 -1.38 -0.54 0.00 0.00 174.62 173.82 3mgo s HIS 188 N -1.20 -0.05 -0.01 3.99 -3.43 -1.14 -5.00 115.29 108.45 3mgo s HIS 188 Ca 0.22 -0.43 0.03 0.00 -0.80 0.00 0.00 55.06 54.07 3mgo s HIS 188 Cb -0.11 0.73 -0.00 0.00 -1.43 0.00 0.00 32.58 31.77 3mgo s HIS 188 CO 0.14 -1.21 -0.09 1.41 -2.00 0.00 0.00 174.74 172.99 3mgo s MET 189 N -3.08 0.76 0.04 -0.38 1.75 -1.26 -0.75 119.30 116.38 3mgo s MET 189 Ca 0.14 -0.30 0.07 0.00 -1.25 0.00 0.00 55.69 54.35 3mgo s MET 189 Cb -0.04 -0.73 -0.03 0.00 2.84 0.00 0.00 34.83 36.87 3mgo s MET 189 CO 0.07 0.16 -0.20 0.95 -0.65 0.00 0.00 175.02 175.35 3mgo s THR 190 N -0.09 2.65 -0.13 10.11 -4.23 -0.48 -4.97 115.64 118.51 3mgo s THR 190 Ca 0.02 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 3mgo s THR 190 Cb -0.05 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.72 3mgo s THR 190 CO -0.00 0.35 -0.10 -2.28 -0.54 0.00 0.00 174.62 172.05 3mgo s HIS 191 N -0.89 1.72 -0.03 3.99 2.46 -1.26 -1.63 115.29 119.64 3mgo s HIS 191 Ca 0.14 -0.91 0.00 0.00 0.47 0.00 0.00 55.06 54.77 3mgo s HIS 191 Cb -0.10 -1.36 0.03 0.00 -0.13 0.00 0.00 32.58 31.01 3mgo s HIS 191 CO 0.04 -0.57 -0.01 -1.01 -2.47 0.00 0.00 174.74 170.73 3mgo s HIS 192 N 1.63 0.40 -0.36 3.88 3.76 -0.92 -4.97 115.29 118.71 3mgo s HIS 192 Ca 0.05 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.63 3mgo s HIS 192 Cb -0.13 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.11 3mgo s HIS 192 CO -0.09 -0.15 1.14 0.00 -0.85 0.00 0.00 174.74 174.79 3mgo s ALA 193 N 1.08 3.38 0.11 -1.40 0.00 -1.26 -0.50 121.76 123.15 3mgo s ALA 193 Ca -0.09 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.76 3mgo s ALA 193 Cb -0.14 -3.76 -0.23 0.00 0.00 0.00 0.00 23.12 19.00 3mgo s ALA 193 CO -0.02 -1.76 1.23 -0.39 0.00 0.00 0.00 175.76 174.83 3mgo h VAL 194 N 5.92 1.64 -0.45 0.00 -1.51 -1.91 -3.48 116.25 116.45 3mgo h VAL 194 Ca -0.22 -3.29 0.00 0.00 -1.23 0.00 0.00 66.70 61.96 3mgo h VAL 194 Cb 1.07 2.88 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 3mgo h VAL 194 CO 1.06 0.95 0.00 -0.24 -1.23 0.00 0.00 177.57 178.11 3mgo n SER 195 N -3.42 0.00 -0.16 4.19 2.88 -1.20 -5.04 113.62 110.87 3mgo n SER 195 Ca -0.03 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3mgo n SER 195 Cb 0.97 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.46 3mgo n SER 195 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3mgo n ASP 196 N 0.00 1.82 -0.01 -3.46 5.75 -1.26 -4.33 116.55 115.06 3mgo n ASP 196 Ca 0.00 -1.61 0.07 0.00 -0.01 0.00 0.00 54.79 53.24 3mgo n ASP 196 Cb 0.00 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 39.93 3mgo n ASP 196 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3mgo n HIS 197 N -0.04 0.00 -4.16 2.11 8.25 -1.26 -4.78 115.22 115.34 3mgo n HIS 197 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3mgo n HIS 197 Cb 0.20 -0.40 -0.10 0.00 1.12 0.00 0.00 29.99 30.81 3mgo n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3mgo s GLU 198 N -3.08 0.86 0.06 -0.41 2.02 -1.26 -0.59 118.70 116.31 3mgo s GLU 198 Ca -0.06 -1.37 -0.16 0.00 0.02 0.00 0.00 54.97 53.39 3mgo s GLU 198 Cb 0.10 -0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.34 3mgo s GLU 198 CO 0.67 -0.12 0.37 0.00 0.02 0.00 0.00 175.26 176.21 3mgo s ALA 199 N -3.80 -0.88 -0.25 5.21 0.00 -0.07 -3.27 121.76 118.70 3mgo s ALA 199 Ca 0.16 0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 3mgo s ALA 199 Cb 0.07 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3mgo s ALA 199 CO -0.03 -0.47 0.17 0.99 0.00 0.00 0.00 175.76 176.42 3mgo s THR 200 N -2.71 5.33 -0.32 0.00 2.01 0.34 -0.19 115.64 120.10 3mgo s THR 200 Ca -0.04 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 3mgo s THR 200 Cb -0.00 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.00 3mgo s THR 200 CO -0.04 0.31 0.15 -0.76 -0.69 0.00 0.00 174.62 173.59 3mgo s LEU 201 N 1.33 4.17 -0.16 4.42 1.43 -0.23 -2.16 118.68 127.48 3mgo s LEU 201 Ca 0.07 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3mgo s LEU 201 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3mgo s LEU 201 CO 0.07 -0.22 -0.09 -0.60 0.23 0.00 0.00 176.35 175.74 3mgo s ARG 202 N 1.59 3.43 -0.25 1.70 3.52 -0.65 -1.06 118.95 127.23 3mgo s ARG 202 Ca 0.04 -0.64 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 3mgo s ARG 202 Cb -0.17 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 3mgo s ARG 202 CO 0.06 0.10 0.14 0.00 -0.81 0.00 0.00 175.30 174.78 3mgo s TRP 204 N 1.32 3.26 -0.13 0.00 0.52 0.07 -1.77 118.94 122.21 3mgo s TRP 204 Ca 0.06 0.24 -0.01 0.00 0.02 0.00 0.00 56.10 56.42 3mgo s TRP 204 Cb -0.15 -1.79 0.04 0.00 -1.15 0.00 0.00 33.47 30.42 3mgo s TRP 204 CO 0.06 0.53 -0.04 0.00 0.02 0.00 0.00 176.95 177.52 3mgo s ALA 205 N -1.01 1.26 0.13 0.98 0.00 -0.20 -2.90 121.76 120.02 3mgo s ALA 205 Ca 0.17 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.59 3mgo s ALA 205 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 3mgo s ALA 205 CO 0.06 -0.64 -0.17 -0.51 0.00 0.00 0.00 175.76 174.51 3mgo s LEU 206 N 1.73 2.38 -1.40 0.00 1.43 -0.12 -2.02 118.68 120.69 3mgo s LEU 206 Ca 0.03 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 3mgo s LEU 206 Cb -0.14 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.41 3mgo s LEU 206 CO -0.08 -0.07 1.11 -1.20 0.23 0.00 0.00 176.35 176.35 3mgo n SER 207 N 0.62 -5.64 -4.72 2.29 7.64 -1.06 0.05 113.62 112.80 3mgo n SER 207 Ca -0.16 -0.62 -0.28 0.00 1.01 0.00 0.00 58.87 58.83 3mgo n SER 207 Cb 0.56 -4.70 -0.07 0.00 -1.01 0.00 0.00 64.21 59.00 3mgo n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3mgo s PHE 208 N -3.32 3.00 -0.19 1.43 -0.12 -1.17 -4.62 117.98 112.99 3mgo s PHE 208 Ca 0.57 -0.06 -0.15 0.00 -0.05 0.00 0.00 56.93 57.25 3mgo s PHE 208 Cb -0.26 -1.48 0.05 0.00 -0.63 0.00 0.00 43.02 40.71 3mgo s PHE 208 CO 0.76 0.51 0.49 -0.47 -0.05 0.00 0.00 175.22 176.46 3mgo s TYR 209 N -1.61 -0.62 0.36 3.49 5.04 -0.57 -1.14 117.35 122.29 3mgo s TYR 209 Ca 0.28 1.40 -0.06 0.00 -2.44 0.00 0.00 57.07 56.26 3mgo s TYR 209 Cb -0.10 0.26 0.09 0.00 0.35 0.00 0.00 41.96 42.55 3mgo s TYR 209 CO 0.20 -0.32 0.38 -2.30 -1.34 0.00 0.00 175.55 172.18 3mgo n PRO 210 N 3.43 -1.16 0.10 4.97 -0.02 -1.26 -1.44 135.00 139.62 3mgo n PRO 210 Ca -0.17 -0.60 -0.00 0.00 -2.02 0.00 0.00 63.50 60.71 3mgo n PRO 210 Cb 0.56 -0.49 0.30 0.00 -0.02 0.00 0.00 33.50 33.85 3mgo n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mgo h ALA 211 N -2.11 1.29 -1.44 3.55 0.00 -1.95 -3.44 119.26 115.15 3mgo h ALA 211 Ca -0.13 -0.31 -0.70 0.00 0.00 0.00 0.00 54.91 53.77 3mgo h ALA 211 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3mgo h ALA 211 CO 0.09 0.48 1.13 -1.91 0.00 0.00 0.00 179.25 179.04 3mgo n GLU 212 N -4.14 1.29 -3.55 0.00 4.07 -1.26 -4.93 120.64 112.11 3mgo n GLU 212 Ca -0.01 0.44 -0.14 0.00 -0.06 0.00 0.00 57.16 57.39 3mgo n GLU 212 Cb 0.38 -2.31 -0.05 0.00 -0.06 0.00 0.00 31.44 29.40 3mgo n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3mgo s ILE 213 N 4.98 0.03 -0.19 6.31 2.07 -1.26 -4.61 121.20 128.53 3mgo s ILE 213 Ca 1.02 -0.22 -0.00 0.00 -1.41 0.00 0.00 60.65 60.03 3mgo s ILE 213 Cb -0.94 -0.99 0.05 0.00 0.13 0.00 0.00 42.46 40.70 3mgo s ILE 213 CO 0.58 -0.12 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.56 3mgo s THR 214 N -2.62 1.14 -0.18 4.00 2.01 -0.70 -5.01 115.64 114.28 3mgo s THR 214 Ca -0.04 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 3mgo s THR 214 Cb -0.00 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.12 3mgo s THR 214 CO -0.03 0.03 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.04 3mgo s LEU 215 N 1.60 2.54 0.02 4.42 1.43 -1.26 -1.63 118.68 125.81 3mgo s LEU 215 Ca -0.01 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3mgo s LEU 215 Cb -0.16 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3mgo s LEU 215 CO -0.07 0.03 -0.02 0.42 0.23 0.00 0.00 176.35 176.94 3mgo s THR 216 N 1.13 0.12 0.07 5.49 -4.23 -0.89 -4.93 115.64 112.40 3mgo s THR 216 Ca 0.01 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.56 3mgo s THR 216 Cb -0.14 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.26 3mgo s THR 216 CO -0.04 -0.55 0.04 0.26 -0.54 0.00 0.00 174.62 173.79 3mgo s TRP 217 N -1.72 3.11 0.02 3.99 0.52 -1.26 -0.22 118.94 123.38 3mgo s TRP 217 Ca -0.14 0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.06 3mgo s TRP 217 Cb -0.08 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 3mgo s TRP 217 CO -0.02 0.50 -0.09 -0.65 0.02 0.00 0.00 176.95 176.72 3mgo s GLN 218 N -2.20 0.61 -0.20 4.98 -0.21 0.41 -1.85 119.66 121.19 3mgo s GLN 218 Ca 0.26 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 55.11 3mgo s GLN 218 Cb -0.12 -0.51 0.03 0.00 1.00 0.00 0.00 33.01 33.41 3mgo s GLN 218 CO 0.18 0.12 -0.17 0.50 -2.12 0.00 0.00 175.29 173.81 3mgo s ARG 219 N -0.92 2.78 -1.34 2.91 3.52 0.50 -0.69 118.95 125.72 3mgo s ARG 219 Ca -0.02 -0.98 -0.04 0.00 -0.13 0.00 0.00 55.73 54.56 3mgo s ARG 219 Cb -0.06 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.67 3mgo s ARG 219 CO 0.00 -0.32 0.30 -0.25 -0.81 0.00 0.00 175.30 174.23 3mgo n ASP 220 N 4.57 -4.67 0.00 -2.12 9.92 -0.55 -1.07 116.55 122.64 3mgo n ASP 220 Ca -0.19 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 3mgo n ASP 220 Cb 0.48 -3.86 0.00 0.00 -0.64 0.00 0.00 41.12 37.09 3mgo n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mgo n GLY 221 N -1.12 0.81 3.57 0.44 0.00 -1.26 -5.03 105.19 102.58 3mgo n GLY 221 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3mgo n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mgo s GLU 222 N -0.32 3.84 0.35 1.61 2.02 -0.23 -5.05 118.70 120.92 3mgo s GLU 222 Ca 0.00 -0.42 -0.28 0.00 0.02 0.00 0.00 54.97 54.29 3mgo s GLU 222 Cb 0.00 -3.14 -0.11 0.00 0.10 0.00 0.00 34.13 30.99 3mgo s GLU 222 CO 0.00 0.20 1.46 -0.51 0.02 0.00 0.00 175.26 176.43 3mgo s ASP 223 N 0.53 6.45 -0.66 -0.19 1.11 -1.26 -0.37 116.67 122.29 3mgo s ASP 223 Ca 0.01 2.94 -0.00 0.00 0.18 0.00 0.00 52.55 55.68 3mgo s ASP 223 Cb -0.13 -2.66 0.42 0.00 1.07 0.00 0.00 42.92 41.62 3mgo s ASP 223 CO 0.02 -0.80 1.85 0.00 1.18 0.00 0.00 175.17 177.42 3mgo n GLN 224 N 0.81 2.89 -0.29 8.23 1.13 -0.77 -4.81 117.38 124.56 3mgo n GLN 224 Ca 0.02 -3.57 0.07 0.00 -1.94 0.00 0.00 57.00 51.58 3mgo n GLN 224 Cb 0.40 -2.28 0.17 0.00 0.11 0.00 0.00 30.24 28.64 3mgo n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3mgo h THR 225 N 1.58 0.19 -0.73 5.09 2.02 -1.91 0.12 112.91 119.27 3mgo h THR 225 Ca 0.54 -0.02 -0.20 0.00 0.77 0.00 0.00 66.41 67.50 3mgo h THR 225 Cb 0.68 0.14 -0.12 0.00 -1.74 0.00 0.00 68.15 67.11 3mgo h THR 225 CO 1.38 0.01 0.26 0.00 0.37 0.00 0.00 175.52 177.54 3mgo n GLN 226 N -5.45 3.76 -0.41 6.66 10.64 -1.26 -4.13 117.38 127.19 3mgo n GLN 226 Ca 0.16 -3.01 0.00 0.00 -1.83 0.00 0.00 57.00 52.32 3mgo n GLN 226 Cb 0.53 -2.21 0.00 0.00 -0.86 0.00 0.00 30.24 27.70 3mgo n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3mgo n ASP 227 N -0.08 0.00 -4.12 2.61 10.43 0.38 -5.07 116.55 120.70 3mgo n ASP 227 Ca 0.40 -1.73 -0.23 0.00 2.57 0.00 0.00 54.79 55.79 3mgo n ASP 227 Cb 1.37 -0.15 -0.15 0.00 1.84 0.00 0.00 41.12 44.03 3mgo n ASP 227 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3mgo s THR 228 N 0.00 1.19 -0.29 -3.53 -4.23 -0.97 -4.55 115.64 103.27 3mgo s THR 228 Ca 0.00 -0.63 -0.24 0.00 -1.18 0.00 0.00 61.69 59.64 3mgo s THR 228 Cb 0.00 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 72.84 3mgo s THR 228 CO 0.00 0.34 0.81 -0.70 -0.54 0.00 0.00 174.62 174.53 3mgo s GLU 229 N -0.24 4.04 -0.13 3.99 2.12 0.09 -4.90 118.70 123.67 3mgo s GLU 229 Ca 0.03 0.71 -0.05 0.00 0.36 0.00 0.00 54.97 56.02 3mgo s GLU 229 Cb -0.07 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 3mgo s GLU 229 CO -0.00 -0.63 0.06 -0.51 -0.54 0.00 0.00 175.26 173.64 3mgo s LEU 230 N 2.94 3.88 0.04 2.70 1.43 -1.26 -1.32 118.68 127.09 3mgo s LEU 230 Ca 0.33 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3mgo s LEU 230 Cb -0.14 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3mgo s LEU 230 CO 0.11 0.32 0.16 0.68 0.23 0.00 0.00 176.35 177.85 3mgo s VAL 231 N -0.51 5.15 0.33 -1.59 -7.23 -1.14 -5.07 120.40 110.35 3mgo s VAL 231 Ca 0.10 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 3mgo s VAL 231 Cb -0.12 -3.47 -0.11 0.00 0.56 0.00 0.00 36.38 33.24 3mgo s VAL 231 CO 0.02 0.20 1.48 -0.70 -0.31 0.00 0.00 175.10 175.79 3mgo s GLU 232 N -2.29 4.17 0.16 4.82 2.12 -1.26 -4.62 118.70 121.80 3mgo s GLU 232 Ca 0.31 2.49 -0.34 0.00 0.36 0.00 0.00 54.97 57.79 3mgo s GLU 232 Cb -0.13 -3.01 -0.14 0.00 0.26 0.00 0.00 34.13 31.11 3mgo s GLU 232 CO 0.23 -0.49 1.56 2.41 -0.54 0.00 0.00 175.26 178.43 3mgo n THR 233 N 1.18 0.05 -4.27 -1.70 -1.04 -1.26 -4.83 114.28 102.40 3mgo n THR 233 Ca 0.03 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.82 3mgo n THR 233 Cb 0.39 -1.52 -0.12 0.00 -1.82 0.00 0.00 70.33 67.27 3mgo n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mgo s ARG 234 N 0.83 1.10 0.06 -2.82 1.70 -0.08 -4.93 118.95 114.81 3mgo s ARG 234 Ca 0.78 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.53 3mgo s ARG 234 Cb -0.68 -1.18 -0.05 0.00 -0.57 0.00 0.00 34.95 32.47 3mgo s ARG 234 CO 0.39 0.26 1.00 -2.14 -1.08 0.00 0.00 175.30 173.72 3mgo s PRO 235 N -2.29 4.60 0.37 3.89 0.02 -1.26 0.60 135.00 140.93 3mgo s PRO 235 Ca 0.08 1.48 0.20 0.00 0.02 0.00 0.00 61.00 62.79 3mgo s PRO 235 Cb -0.08 -3.40 0.54 0.00 0.02 0.00 0.00 34.50 31.58 3mgo s PRO 235 CO 0.04 0.04 1.66 0.00 -0.33 0.00 0.00 177.00 178.42 3mgo h ALA 236 N 6.21 0.89 0.00 -1.55 0.00 -1.32 -3.46 119.26 120.02 3mgo h ALA 236 Ca -0.42 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3mgo h ALA 236 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mgo h ALA 236 CO 0.74 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.82 3mgo n GLY 237 N 0.61 0.49 0.10 0.00 0.00 -1.26 -4.92 105.19 100.21 3mgo n GLY 237 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3mgo n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mgo n ASP 238 N 0.00 2.28 0.00 1.61 5.75 -1.26 -4.95 116.55 119.98 3mgo n ASP 238 Ca 0.00 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 3mgo n ASP 238 Cb 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 3mgo n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mgo n GLY 239 N -0.83 1.02 3.94 6.12 0.00 -1.26 -5.07 105.19 109.12 3mgo n GLY 239 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3mgo n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mgo s THR 240 N -2.25 2.83 0.36 2.61 -4.23 -1.26 -4.89 115.64 108.81 3mgo s THR 240 Ca 0.00 -1.17 0.06 0.00 -1.18 0.00 0.00 61.69 59.40 3mgo s THR 240 Cb 0.00 -3.00 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 3mgo s THR 240 CO 0.00 0.00 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.72 3mgo s PHE 241 N -2.41 2.27 0.09 3.99 0.08 -0.29 -0.90 117.98 120.80 3mgo s PHE 241 Ca 0.52 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.86 3mgo s PHE 241 Cb -0.07 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 3mgo s PHE 241 CO 0.30 0.33 -0.07 -0.65 -0.10 0.00 0.00 175.22 175.03 3mgo s GLN 242 N -3.75 0.77 -0.23 0.44 -0.21 0.20 -2.57 119.66 114.31 3mgo s GLN 242 Ca 0.34 -1.23 -0.28 0.00 0.02 0.00 0.00 55.36 54.21 3mgo s GLN 242 Cb 0.08 -0.21 0.14 0.00 1.00 0.00 0.00 33.01 34.03 3mgo s GLN 242 CO 0.16 -0.01 1.12 0.21 -2.12 0.00 0.00 175.29 174.65 3mgo s LYS 243 N -3.43 0.42 0.01 2.91 2.20 -0.86 -0.90 119.74 120.09 3mgo s LYS 243 Ca 0.08 0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.84 3mgo s LYS 243 Cb 0.03 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 3mgo s LYS 243 CO -0.04 -0.11 0.15 1.67 -0.36 0.00 0.00 175.35 176.66 3mgo s TRP 244 N -0.61 0.04 -0.07 4.03 1.48 -1.26 -1.03 118.94 121.51 3mgo s TRP 244 Ca 0.02 -0.15 0.05 0.00 -1.06 0.00 0.00 56.10 54.96 3mgo s TRP 244 Cb -0.02 -0.05 -0.00 0.00 -1.16 0.00 0.00 33.47 32.24 3mgo s TRP 244 CO -0.04 -0.31 -0.23 0.00 -4.06 0.00 0.00 176.95 172.32 3mgo s ALA 245 N -1.52 2.03 0.11 2.67 0.00 -0.73 -2.87 121.76 121.45 3mgo s ALA 245 Ca -0.14 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 50.99 3mgo s ALA 245 Cb -0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3mgo s ALA 245 CO 0.01 0.32 -0.24 0.00 0.00 0.00 0.00 175.76 175.86 3mgo s ALA 246 N 0.14 2.08 -0.00 0.00 0.00 -0.43 -0.23 121.76 123.31 3mgo s ALA 246 Ca -0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 3mgo s ALA 246 Cb -0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 3mgo s ALA 246 CO 0.06 0.45 0.04 0.54 0.00 0.00 0.00 175.76 176.85 3mgo s VAL 247 N -1.10 0.06 -0.18 0.00 0.11 -0.22 -0.73 120.40 118.33 3mgo s VAL 247 Ca 0.10 -0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 58.48 3mgo s VAL 247 Cb -0.10 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 3mgo s VAL 247 CO 0.05 -0.26 0.54 -0.69 -3.33 0.00 0.00 175.10 171.41 3mgo s VAL 248 N -0.81 5.10 -0.16 2.04 1.01 -1.26 -1.07 120.40 125.25 3mgo s VAL 248 Ca -0.09 1.02 0.01 0.00 0.00 0.00 0.00 61.98 62.92 3mgo s VAL 248 Cb -0.05 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3mgo s VAL 248 CO -0.00 0.20 -0.17 -0.69 0.00 0.00 0.00 175.10 174.44 3mgo s VAL 249 N 1.44 2.50 0.64 2.92 1.01 0.74 -4.94 120.40 124.71 3mgo s VAL 249 Ca 0.26 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3mgo s VAL 249 Cb -0.16 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3mgo s VAL 249 CO 0.10 0.52 1.17 -2.84 0.00 0.00 0.00 175.10 174.05 3mgo s PRO 250 N 0.90 2.77 0.00 2.72 0.02 -1.26 -0.89 135.00 139.26 3mgo s PRO 250 Ca -0.04 1.66 -0.37 0.00 0.02 0.00 0.00 61.00 62.27 3mgo s PRO 250 Cb -0.15 -1.92 -0.16 0.00 0.02 0.00 0.00 34.50 32.29 3mgo s PRO 250 CO -0.02 -1.33 1.48 0.43 -0.33 0.00 0.00 177.00 177.23 3mgo n SER 251 N -2.06 2.01 -0.13 2.53 7.64 0.25 -2.26 113.62 121.61 3mgo n SER 251 Ca 0.12 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 61.09 3mgo n SER 251 Cb 0.51 -1.21 -0.00 0.00 -1.01 0.00 0.00 64.21 62.50 3mgo n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgo n GLY 252 N 3.06 0.38 0.00 0.23 0.00 -1.26 -4.93 105.19 102.66 3mgo n GLY 252 Ca 0.20 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3mgo n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mgo n GLN 253 N -1.83 1.14 -0.33 1.61 6.02 -0.96 -4.82 117.38 118.21 3mgo n GLN 253 Ca -0.01 -0.88 0.16 0.00 -0.01 0.00 0.00 57.00 56.25 3mgo n GLN 253 Cb 0.33 -0.80 0.39 0.00 1.02 0.00 0.00 30.24 31.18 3mgo n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mgo h GLU 254 N 0.00 0.61 0.00 -1.09 3.07 -1.92 -0.16 114.58 115.09 3mgo h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3mgo h GLU 254 Cb 0.55 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3mgo h GLU 254 CO 0.00 0.40 0.00 0.00 -1.40 0.00 0.00 179.01 178.01 3mgo n GLN 255 N -4.71 0.18 0.20 2.33 0.00 -1.26 -2.44 117.38 111.68 3mgo n GLN 255 Ca 0.23 0.43 0.08 0.00 0.00 0.00 0.00 57.00 57.74 3mgo n GLN 255 Cb 0.66 -1.86 0.26 0.00 0.00 0.00 0.00 30.24 29.30 3mgo n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mgo h ARG 256 N 0.00 0.00 -5.94 2.61 3.08 -1.39 -3.46 114.38 109.28 3mgo h ARG 256 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3mgo h ARG 256 Cb 0.34 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3mgo h ARG 256 CO 0.00 0.27 -0.35 0.71 -1.07 0.00 0.00 179.97 179.53 3mgo s TYR 257 N -3.32 3.59 -0.02 3.04 1.51 -1.02 -1.48 117.35 119.64 3mgo s TYR 257 Ca 0.03 0.64 0.01 0.00 -1.01 0.00 0.00 57.07 56.74 3mgo s TYR 257 Cb 0.08 -2.04 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3mgo s TYR 257 CO 0.68 0.60 -0.01 0.95 -1.11 0.00 0.00 175.55 176.65 3mgo s THR 258 N -1.29 0.24 -0.09 -0.71 -4.23 0.14 -4.46 115.64 105.24 3mgo s THR 258 Ca 0.28 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.64 3mgo s THR 258 Cb -0.13 -0.30 -0.05 0.00 1.34 0.00 0.00 72.50 73.36 3mgo s THR 258 CO 0.16 0.14 0.38 0.00 -0.54 0.00 0.00 174.62 174.75 3mgo s HIS 260 N -0.09 2.75 -0.15 0.00 3.76 0.70 -0.45 115.29 121.80 3mgo s HIS 260 Ca 0.22 -1.15 0.01 0.00 -0.15 0.00 0.00 55.06 53.99 3mgo s HIS 260 Cb -0.15 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3mgo s HIS 260 CO 0.09 -0.53 -0.18 0.08 -0.85 0.00 0.00 174.74 173.35 3mgo s VAL 261 N 0.84 2.45 -0.11 -0.90 1.01 -0.49 -2.09 120.40 121.12 3mgo s VAL 261 Ca -0.05 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3mgo s VAL 261 Cb -0.15 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3mgo s VAL 261 CO -0.01 0.53 -0.17 -1.10 0.00 0.00 0.00 175.10 174.35 3mgo s GLN 262 N 0.77 2.37 -0.04 2.72 -0.21 -0.64 -0.76 119.66 123.86 3mgo s GLN 262 Ca -0.07 -0.62 -0.20 0.00 0.02 0.00 0.00 55.36 54.49 3mgo s GLN 262 Cb -0.16 -1.96 0.04 0.00 1.00 0.00 0.00 33.01 31.93 3mgo s GLN 262 CO 0.00 -0.02 0.44 -1.58 -2.12 0.00 0.00 175.29 172.01 3mgo s HIS 263 N 0.87 -0.36 0.55 0.91 2.46 -1.26 -1.72 115.29 116.74 3mgo s HIS 263 Ca -0.09 0.63 0.27 0.00 0.47 0.00 0.00 55.06 56.35 3mgo s HIS 263 Cb -0.15 0.20 1.46 0.00 -0.13 0.00 0.00 32.58 33.96 3mgo s HIS 263 CO -0.00 -0.44 1.98 1.49 -2.47 0.00 0.00 174.74 175.30 3mgo h GLU 264 N 3.77 0.00 -0.15 2.88 4.81 -1.94 -0.44 114.58 123.51 3mgo h GLU 264 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3mgo h GLU 264 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3mgo h GLU 264 CO 0.38 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 3mgo n GLY 265 N -1.58 -0.01 3.40 1.92 0.00 -1.26 -4.79 105.19 102.88 3mgo n GLY 265 Ca 0.09 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3mgo n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgo s LEU 266 N -1.43 3.29 0.20 0.99 1.43 -0.18 -4.40 118.68 118.58 3mgo s LEU 266 Ca 0.28 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 3mgo s LEU 266 Cb 0.14 -1.87 0.22 0.00 0.03 0.00 0.00 46.19 44.72 3mgo s LEU 266 CO 0.22 -0.03 1.64 -0.65 0.23 0.00 0.00 176.35 177.75 3mgo h PRO 267 N 8.20 0.02 -4.87 1.29 0.11 -1.86 -3.41 132.00 131.47 3mgo h PRO 267 Ca -0.39 -0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.40 3mgo h PRO 267 Cb 1.17 -0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.07 3mgo h PRO 267 CO 0.59 0.01 -0.75 -1.59 -0.21 0.00 0.00 178.00 176.05 3mgo s LYS 268 N -6.22 0.69 0.47 1.05 0.00 -1.26 -5.13 119.74 109.34 3mgo s LYS 268 Ca -0.14 -0.92 -0.22 0.00 0.00 0.00 0.00 55.97 54.69 3mgo s LYS 268 Cb 0.18 -0.49 -0.10 0.00 0.00 0.00 0.00 37.83 37.43 3mgo s LYS 268 CO 0.73 0.09 0.91 -2.30 0.00 0.00 0.00 175.35 174.78 3mgo n PRO 269 N 1.17 1.11 -3.65 1.78 -0.02 -1.26 -4.97 135.00 129.16 3mgo n PRO 269 Ca -0.21 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 3mgo n PRO 269 Cb 0.55 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 3mgo n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mgo s LEU 270 N -0.43 4.34 -0.20 2.45 1.43 0.06 -4.93 118.68 121.39 3mgo s LEU 270 Ca 0.66 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 3mgo s LEU 270 Cb -0.53 -2.96 0.05 0.00 0.03 0.00 0.00 46.19 42.78 3mgo s LEU 270 CO 0.55 0.17 -0.10 -0.89 0.23 0.00 0.00 176.35 176.32 3mgo s THR 271 N -1.42 1.64 0.01 5.49 2.01 -1.26 -1.39 115.64 120.71 3mgo s THR 271 Ca 0.33 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.33 3mgo s THR 271 Cb -0.13 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 3mgo s THR 271 CO 0.19 0.13 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.34 3mgo s LEU 272 N 1.39 2.74 -0.17 4.42 1.43 0.40 -4.95 118.68 123.94 3mgo s LEU 272 Ca -0.02 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 3mgo s LEU 272 Cb -0.17 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.52 3mgo s LEU 272 CO -0.08 0.28 0.42 0.00 0.23 0.00 0.00 176.35 177.20 3mgo s ARG 273 N -1.26 0.41 -0.03 1.70 1.70 -1.26 0.52 118.95 120.73 3mgo s ARG 273 Ca 0.14 0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 55.88 3mgo s ARG 273 Cb -0.11 0.00 -0.09 0.00 -0.57 0.00 0.00 34.95 34.19 3mgo s ARG 273 CO 0.05 -0.15 2.02 1.87 -1.08 0.00 0.00 175.30 178.01 3mgo n TRP 274 N 4.14 2.38 -1.62 5.89 -0.00 -1.26 -5.08 117.44 121.90 3mgo n TRP 274 Ca -0.22 -0.30 0.00 0.00 -0.00 0.00 0.00 57.50 56.98 3mgo n TRP 274 Cb 0.55 -2.78 0.00 0.00 -0.00 0.00 0.00 31.31 29.09 3mgo n TRP 274 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84