#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 6.85 0.11 1.61 0.15 -1.26 -4.06 113.70 117.10 3mgo s SER 2 Ca 0.00 1.89 -0.03 0.00 0.70 0.00 0.00 55.95 58.51 3mgo s SER 2 Cb 0.00 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 3mgo s SER 2 CO 0.00 -0.42 0.08 -1.00 1.20 0.00 0.00 173.24 173.10 3mgo s HIS 3 N -1.83 0.62 0.04 3.44 0.09 -0.58 -5.00 115.29 112.08 3mgo s HIS 3 Ca 0.59 -1.05 -0.15 0.00 -0.00 0.00 0.00 55.06 54.45 3mgo s HIS 3 Cb -0.17 -0.35 0.03 0.00 -0.00 0.00 0.00 32.58 32.09 3mgo s HIS 3 CO 0.22 -0.51 0.34 -1.54 -0.00 0.00 0.00 174.74 173.25 3mgo s SER 4 N -2.98 -0.18 -0.02 1.40 1.04 -1.26 -0.37 113.70 111.33 3mgo s SER 4 Ca 0.16 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.50 3mgo s SER 4 Cb 0.07 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 3mgo s SER 4 CO -0.03 -0.63 -0.13 -0.32 0.98 0.00 0.00 173.24 173.11 3mgo s MET 5 N -2.53 1.20 0.01 4.02 1.75 -0.48 -0.48 119.30 122.79 3mgo s MET 5 Ca -0.05 -0.45 -0.01 0.00 -1.25 0.00 0.00 55.69 53.93 3mgo s MET 5 Cb -0.01 -1.11 -0.01 0.00 2.84 0.00 0.00 34.83 36.54 3mgo s MET 5 CO -0.03 0.22 0.00 1.03 -0.65 0.00 0.00 175.02 175.59 3mgo s ARG 6 N -0.07 0.18 -0.10 4.11 1.81 -0.40 -1.53 118.95 122.95 3mgo s ARG 6 Ca 0.00 -0.28 0.03 0.00 -1.72 0.00 0.00 55.73 53.76 3mgo s ARG 6 Cb -0.08 0.07 -0.00 0.00 -0.45 0.00 0.00 34.95 34.49 3mgo s ARG 6 CO 0.00 -0.03 -0.21 0.71 -0.68 0.00 0.00 175.30 175.09 3mgo s TYR 7 N -0.73 2.62 -0.17 -0.53 2.02 0.63 -0.06 117.35 121.13 3mgo s TYR 7 Ca -0.08 -0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 55.70 3mgo s TYR 7 Cb -0.05 -1.73 -0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3mgo s TYR 7 CO -0.00 -0.34 -0.12 -0.06 -1.57 0.00 0.00 175.55 173.45 3mgo s PHE 8 N 0.29 2.83 -0.11 2.71 0.08 0.08 -2.19 117.98 121.66 3mgo s PHE 8 Ca -0.15 -0.98 0.03 0.00 0.12 0.00 0.00 56.93 55.95 3mgo s PHE 8 Cb -0.17 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3mgo s PHE 8 CO 0.08 -0.46 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.45 3mgo s PHE 9 N 0.91 2.61 -0.10 0.36 0.08 0.67 -1.67 117.98 120.84 3mgo s PHE 9 Ca -0.03 -1.02 0.01 0.00 0.12 0.00 0.00 56.93 56.01 3mgo s PHE 9 Cb -0.15 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3mgo s PHE 9 CO -0.01 -0.41 -0.13 0.99 -0.10 0.00 0.00 175.22 175.57 3mgo s THR 10 N 0.39 1.30 -0.14 0.64 2.01 -0.23 -1.26 115.64 118.35 3mgo s THR 10 Ca -0.17 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3mgo s THR 10 Cb -0.17 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.13 3mgo s THR 10 CO 0.07 0.40 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.68 3mgo s SER 11 N 1.13 2.82 -0.19 3.53 0.15 0.55 -1.03 113.70 120.66 3mgo s SER 11 Ca -0.05 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.08 3mgo s SER 11 Cb -0.14 -1.28 0.03 0.00 -1.71 0.00 0.00 66.02 62.92 3mgo s SER 11 CO -0.03 0.01 -0.13 -0.69 1.20 0.00 0.00 173.24 173.61 3mgo s VAL 12 N 1.11 1.72 0.31 4.45 1.01 0.01 -0.56 120.40 128.46 3mgo s VAL 12 Ca -0.02 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3mgo s VAL 12 Cb -0.14 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 3mgo s VAL 12 CO -0.06 0.30 1.17 -0.94 0.00 0.00 0.00 175.10 175.57 3mgo s SER 13 N 1.38 7.02 -0.61 3.32 1.04 -0.65 -0.89 113.70 124.31 3mgo s SER 13 Ca 0.01 2.40 0.05 0.00 0.48 0.00 0.00 55.95 58.89 3mgo s SER 13 Cb -0.15 -2.63 0.18 0.00 0.10 0.00 0.00 66.02 63.52 3mgo s SER 13 CO -0.09 -0.33 0.47 0.54 0.98 0.00 0.00 173.24 174.81 3mgo n ARG 14 N 0.91 1.41 -1.66 4.02 1.74 -1.26 -4.07 116.66 117.75 3mgo n ARG 14 Ca -0.00 -4.11 -0.53 0.00 -0.77 0.00 0.00 57.85 52.44 3mgo n ARG 14 Cb 0.44 -2.09 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 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 2.09 1.58 0.00 5.56 -0.02 -1.26 -0.82 135.00 142.13 3mgo n PRO 15 Ca 0.23 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3mgo n PRO 15 Cb 0.40 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 4.68 2.20 1.03 -1.23 0.00 -1.26 -4.83 105.19 105.78 3mgo n GLY 16 Ca 0.27 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 3.11 0.00 1.61 1.74 -0.00 -5.08 116.66 116.04 3mgo n ARG 17 Ca 0.00 -2.51 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 3mgo n ARG 17 Cb 0.00 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 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 0.58 -0.49 3.77 -0.13 0.00 -1.20 -5.00 105.19 102.72 3mgo n GLY 18 Ca 0.19 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 3.38 0.54 1.61 0.41 -1.26 -4.52 118.70 118.85 3mgo s GLU 19 Ca 0.00 1.77 -0.22 0.00 -0.41 0.00 0.00 54.97 56.11 3mgo s GLU 19 Cb 0.00 -2.14 -0.05 0.00 -1.78 0.00 0.00 34.13 30.16 3mgo s GLU 19 CO 0.00 -0.87 1.34 -1.25 -0.49 0.00 0.00 175.26 173.99 3mgo s PRO 20 N -3.07 3.20 0.07 0.39 0.04 -1.26 -4.66 135.00 129.72 3mgo s PRO 20 Ca 0.71 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.63 3mgo s PRO 20 Cb -0.28 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 3mgo s PRO 20 CO 0.33 -1.12 1.12 0.50 0.04 0.00 0.00 177.00 177.86 3mgo s ARG 21 N -2.89 4.51 -0.11 4.56 6.06 -0.07 -4.85 118.95 126.16 3mgo s ARG 21 Ca 0.71 1.66 0.01 0.00 -2.50 0.00 0.00 55.73 55.61 3mgo s ARG 21 Cb -0.39 -3.36 0.02 0.00 0.06 0.00 0.00 34.95 31.28 3mgo s ARG 21 CO 0.46 -0.12 -0.13 0.12 -2.50 0.00 0.00 175.30 173.13 3mgo s PHE 22 N 0.74 1.88 -0.08 5.12 5.36 -1.26 -0.81 117.98 128.92 3mgo s PHE 22 Ca 0.55 -0.92 0.02 0.00 -0.96 0.00 0.00 56.93 55.62 3mgo s PHE 22 Cb -0.27 -1.39 0.01 0.00 -0.34 0.00 0.00 43.02 41.03 3mgo s PHE 22 CO 0.30 -0.51 -0.13 0.42 -1.46 0.00 0.00 175.22 173.84 3mgo s ILE 23 N 1.20 1.24 -0.04 3.12 1.01 -0.20 -1.18 121.20 126.34 3mgo s ILE 23 Ca -0.03 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.16 3mgo s ILE 23 Cb -0.14 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 3mgo s ILE 23 CO -0.04 0.38 -0.23 0.00 0.00 0.00 0.00 174.94 175.05 3mgo s ALA 24 N 0.82 1.97 0.02 9.38 0.00 -0.09 -1.07 121.76 132.79 3mgo s ALA 24 Ca -0.11 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3mgo s ALA 24 Cb -0.15 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 3mgo s ALA 24 CO 0.02 0.41 -0.05 0.14 0.00 0.00 0.00 175.76 176.28 3mgo s VAL 25 N -0.23 0.31 -0.04 0.00 -7.23 -0.67 0.01 120.40 112.55 3mgo s VAL 25 Ca -0.00 -0.70 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 3mgo s VAL 25 Cb -0.12 -0.36 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 3mgo s VAL 25 CO 0.02 -0.26 -0.25 -0.83 -0.31 0.00 0.00 175.10 173.47 3mgo s GLY 26 N -1.02 1.27 0.05 2.32 0.00 -0.81 -0.75 107.32 108.39 3mgo s GLY 26 Ca -0.08 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.65 3mgo s GLY 26 CO -0.00 -0.78 -0.22 -0.19 0.00 0.00 0.00 173.10 171.90 3mgo s TYR 27 N -0.39 1.96 -0.28 1.90 1.51 0.91 -1.24 117.35 121.73 3mgo s TYR 27 Ca 0.03 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3mgo s TYR 27 Cb -0.12 -1.16 0.04 0.00 -0.11 0.00 0.00 41.96 40.62 3mgo s TYR 27 CO 0.01 0.12 -0.03 0.08 -1.11 0.00 0.00 175.55 174.61 3mgo s VAL 28 N -0.83 2.87 0.00 0.71 1.01 0.76 -1.28 120.40 123.64 3mgo s VAL 28 Ca 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3mgo s VAL 28 Cb -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3mgo s VAL 28 CO 0.02 0.02 0.00 0.47 0.00 0.00 0.00 175.10 175.61 3mgo n ASP 29 N 4.62 0.00 -1.82 3.32 8.00 0.37 -1.26 116.55 129.78 3mgo n ASP 29 Ca -0.15 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 3mgo n ASP 29 Cb 0.45 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.86 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 7.37 4.73 -4.01 -2.24 8.00 -1.26 -4.89 116.55 124.25 3mgo n ASP 30 Ca 0.00 -3.20 -0.30 0.00 0.71 0.00 0.00 54.79 52.00 3mgo n ASP 30 Cb 0.00 -0.71 -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 -2.97 1.62 0.36 -3.53 2.01 -0.39 -5.01 115.64 107.73 3mgo s THR 31 Ca 0.53 -0.82 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 3mgo s THR 31 Cb 0.43 -1.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.24 3mgo s THR 31 CO 0.13 0.32 1.08 -1.58 -0.69 0.00 0.00 174.62 173.87 3mgo s GLN 32 N 1.44 4.29 0.00 4.92 0.74 -1.26 -0.17 119.66 129.62 3mgo s GLN 32 Ca 0.02 1.64 0.00 0.00 0.05 0.00 0.00 55.36 57.07 3mgo s GLN 32 Cb -0.14 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.21 3mgo s GLN 32 CO -0.10 -0.06 0.00 1.97 -0.55 0.00 0.00 175.29 176.56 3mgo n PHE 33 N 0.33 0.00 -3.96 1.67 -1.74 -0.37 -4.16 117.46 109.23 3mgo n PHE 33 Ca 0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.83 3mgo n PHE 33 Cb 0.48 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.40 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 -0.66 0.11 -0.04 1.97 -7.23 -1.23 -0.24 120.40 113.07 3mgo s VAL 34 Ca 0.00 -1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 3mgo s VAL 34 Cb 0.00 -1.68 0.10 0.00 0.56 0.00 0.00 36.38 35.36 3mgo s VAL 34 CO 0.00 -0.48 0.82 0.00 -0.31 0.00 0.00 175.10 175.13 3mgo s ARG 35 N -3.94 0.88 -0.03 4.82 1.04 -0.73 -1.92 118.95 119.07 3mgo s ARG 35 Ca 0.13 -0.02 0.01 0.00 -1.04 0.00 0.00 55.73 54.81 3mgo s ARG 35 Cb 0.05 0.41 0.02 0.00 -2.04 0.00 0.00 34.95 33.39 3mgo s ARG 35 CO -0.04 -0.32 -0.03 0.12 -0.04 0.00 0.00 175.30 174.99 3mgo s PHE 36 N -2.01 0.49 -0.20 5.89 5.36 0.10 -1.27 117.98 126.34 3mgo s PHE 36 Ca -0.02 -0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 3mgo s PHE 36 Cb -0.01 -0.48 0.04 0.00 -0.34 0.00 0.00 43.02 42.24 3mgo s PHE 36 CO -0.01 -0.13 -0.09 0.34 -1.46 0.00 0.00 175.22 173.87 3mgo s ASP 37 N 0.78 3.40 0.47 6.13 -1.08 -1.26 -0.91 116.67 124.19 3mgo s ASP 37 Ca -0.09 -0.90 0.30 0.00 -0.52 0.00 0.00 52.55 51.33 3mgo s ASP 37 Cb -0.12 -1.19 1.61 0.00 -1.46 0.00 0.00 42.92 41.75 3mgo s ASP 37 CO -0.01 -0.16 1.90 0.77 0.52 0.00 0.00 175.17 178.19 3mgo h SER 38 N 7.99 0.00 0.11 -0.34 4.64 -1.55 -1.05 113.55 123.35 3mgo h SER 38 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3mgo h SER 38 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3mgo h SER 38 CO 0.46 0.00 -1.57 0.47 -0.87 0.00 0.00 176.83 175.32 3mgo n ASP 39 N -2.57 0.37 -4.68 4.97 9.92 -1.26 -4.96 116.55 118.35 3mgo n ASP 39 Ca -0.02 -0.26 -0.30 0.00 -0.53 0.00 0.00 54.79 53.68 3mgo n ASP 39 Cb 0.10 1.51 0.15 0.00 -0.64 0.00 0.00 41.12 42.24 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 -3.34 1.45 0.10 2.24 0.00 -0.40 -4.96 121.76 116.84 3mgo s ALA 40 Ca -0.02 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 3mgo s ALA 40 Cb 0.14 -3.34 -0.18 0.00 0.00 0.00 0.00 23.12 19.74 3mgo s ALA 40 CO 0.88 -2.58 1.24 0.00 0.00 0.00 0.00 175.76 175.29 3mgo h ALA 41 N -1.73 0.22 -0.57 0.00 0.00 -1.93 -3.34 119.26 111.91 3mgo h ALA 41 Ca -0.46 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 53.72 3mgo h ALA 41 Cb 1.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3mgo h ALA 41 CO 0.47 0.73 0.23 0.66 0.00 0.00 0.00 179.25 181.34 3mgo h SER 42 N 0.35 0.76 -5.80 0.00 4.64 -1.93 -3.46 113.55 108.11 3mgo h SER 42 Ca -0.11 -0.10 -0.41 0.00 -0.47 0.00 0.00 61.79 60.70 3mgo h SER 42 Cb 1.64 -0.19 0.10 0.00 -0.31 0.00 0.00 62.40 63.64 3mgo h SER 42 CO 0.19 0.68 -0.69 0.00 -0.87 0.00 0.00 176.83 176.15 3mgo n GLN 43 N -4.33 -7.31 -4.13 4.77 1.13 -1.25 -5.00 117.38 101.26 3mgo n GLN 43 Ca 0.05 0.80 -0.11 0.00 -1.94 0.00 0.00 57.00 55.79 3mgo n GLN 43 Cb 0.16 -5.81 -0.10 0.00 0.11 0.00 0.00 30.24 24.60 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 -6.31 0.72 0.01 -1.09 0.52 -1.26 -5.04 118.95 106.49 3mgo s ARG 44 Ca 0.58 -1.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 3mgo s ARG 44 Cb -0.26 -0.22 -0.06 0.00 0.52 0.00 0.00 34.95 34.93 3mgo s ARG 44 CO 0.71 0.00 1.43 1.41 0.02 0.00 0.00 175.30 178.88 3mgo s MET 45 N -3.09 4.27 0.07 3.54 -2.45 -1.26 -4.66 119.30 115.72 3mgo s MET 45 Ca 0.04 2.01 0.06 0.00 -1.25 0.00 0.00 55.69 56.56 3mgo s MET 45 Cb 0.00 -3.58 -0.04 0.00 1.25 0.00 0.00 34.83 32.47 3mgo s MET 45 CO -0.03 -0.60 -0.11 -1.21 1.05 0.00 0.00 175.02 174.12 3mgo s GLU 46 N 2.45 2.21 0.45 4.11 2.02 -0.40 -4.91 118.70 124.64 3mgo s GLU 46 Ca 0.65 -0.95 -0.21 0.00 0.02 0.00 0.00 54.97 54.48 3mgo s GLU 46 Cb -0.32 -2.32 -0.09 0.00 0.10 0.00 0.00 34.13 31.49 3mgo s GLU 46 CO 0.27 0.54 1.03 -1.25 0.02 0.00 0.00 175.26 175.86 3mgo s PRO 47 N -1.86 3.96 0.00 0.39 0.04 -1.26 -1.78 135.00 134.49 3mgo s PRO 47 Ca 0.19 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3mgo s PRO 47 Cb -0.11 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3mgo s PRO 47 CO 0.10 -0.29 0.42 0.54 0.04 0.00 0.00 177.00 177.81 3mgo n ARG 48 N -0.67 0.34 -4.11 4.56 5.12 0.67 -4.87 116.66 117.70 3mgo n ARG 48 Ca 0.08 -0.50 -0.14 0.00 -1.93 0.00 0.00 57.85 55.36 3mgo n ARG 48 Cb 0.52 -0.63 -0.11 0.00 -1.16 0.00 0.00 32.46 31.08 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 0.82 0.23 7.54 0.00 -1.22 -4.68 121.76 124.30 3mgo s ALA 49 Ca 0.00 -0.96 0.16 0.00 0.00 0.00 0.00 51.96 51.16 3mgo s ALA 49 Cb 0.00 0.03 0.60 0.00 0.00 0.00 0.00 23.12 23.76 3mgo s ALA 49 CO 0.00 -0.02 1.71 -1.00 0.00 0.00 0.00 175.76 176.45 3mgo h PRO 50 N 4.09 0.00 0.00 0.00 0.13 -1.94 -3.18 132.00 131.10 3mgo h PRO 50 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3mgo h PRO 50 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3mgo h PRO 50 CO 0.46 0.45 -0.06 -2.67 -0.23 0.00 0.00 178.00 175.94 3mgo n TRP 51 N -3.69 0.77 0.24 1.56 4.27 -1.26 -3.21 117.44 116.13 3mgo n TRP 51 Ca -0.01 0.22 0.11 0.00 -3.89 0.00 0.00 57.50 53.94 3mgo n TRP 51 Cb 0.52 -0.85 -0.01 0.00 -1.36 0.00 0.00 31.31 29.61 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 -2.14 0.37 0.31 -1.67 0.13 -1.20 -4.02 119.36 111.13 3mgo n ILE 52 Ca 0.06 -0.44 0.20 0.00 -1.10 0.00 0.00 62.75 61.47 3mgo n ILE 52 Cb 0.42 -0.12 1.00 0.00 -0.84 0.00 0.00 39.64 40.10 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 -1.62 -1.85 114.58 125.69 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 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3mgo h GLU 53 CO 0.00 0.00 0.00 -0.56 -1.00 0.00 0.00 179.01 177.45 3mgo h GLN 54 N 0.00 0.00 -6.90 2.33 3.07 -1.75 -3.45 115.11 108.41 3mgo h GLN 54 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 3mgo h GLN 54 Cb 0.17 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.84 3mgo h GLN 54 CO 0.00 0.00 0.72 0.39 0.09 0.00 0.00 178.83 180.03 3mgo n GLU 55 N -3.05 2.57 -1.58 0.06 -0.58 -0.70 -4.99 120.64 112.37 3mgo n GLU 55 Ca 0.02 0.90 -0.27 0.00 -0.42 0.00 0.00 57.16 57.39 3mgo n GLU 55 Cb 0.41 -2.60 0.20 0.00 -0.57 0.00 0.00 31.44 28.87 3mgo n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mgo n GLY 56 N 0.51 -1.74 0.36 0.62 0.00 -1.26 -4.86 105.19 98.81 3mgo n GLY 56 Ca 0.02 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.41 3mgo n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mgo h PRO 57 N 0.00 1.02 -0.35 1.61 0.11 -1.98 -2.65 132.00 129.76 3mgo h PRO 57 Ca -0.39 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.67 3mgo h PRO 57 Cb 1.10 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3mgo h PRO 57 CO 0.27 0.68 0.21 1.49 -0.21 0.00 0.00 178.00 180.44 3mgo h GLU 58 N 1.05 0.42 -0.28 1.05 4.22 -1.99 0.20 114.58 119.25 3mgo h GLU 58 Ca 0.37 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.82 3mgo h GLU 58 Cb 0.11 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3mgo h GLU 58 CO -0.12 0.28 0.05 -0.92 -2.18 0.00 0.00 179.01 176.11 3mgo h TYR 59 N 0.43 0.07 -0.29 0.92 3.20 -1.83 -0.64 116.97 118.83 3mgo h TYR 59 Ca 0.13 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 3mgo h TYR 59 Cb -0.02 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3mgo h TYR 59 CO -0.07 0.01 -0.46 -1.49 -1.64 0.00 0.00 178.16 174.52 3mgo h TRP 60 N 0.15 0.92 -0.42 -3.82 4.06 -1.28 -0.26 115.95 115.29 3mgo h TRP 60 Ca 0.13 -0.29 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 3mgo h TRP 60 Cb 0.15 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 3mgo h TRP 60 CO -0.18 1.07 0.22 -0.44 -3.56 0.00 0.00 178.44 175.55 3mgo h ASP 61 N 0.60 0.54 0.19 -3.49 5.19 -0.47 -0.15 116.42 118.83 3mgo h ASP 61 Ca 0.04 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 3mgo h ASP 61 Cb 1.02 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.39 3mgo h ASP 61 CO 0.10 0.49 -0.09 1.23 -3.12 0.00 0.00 179.24 177.85 3mgo h GLY 62 N 0.55 -0.27 1.13 2.75 0.00 -0.94 -1.11 103.07 105.17 3mgo h GLY 62 Ca 0.15 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.59 3mgo h GLY 62 CO -0.02 -0.10 0.57 0.83 0.00 0.00 0.00 176.54 177.82 3mgo h GLU 63 N -0.39 1.12 -0.29 4.80 4.39 -1.01 -0.95 114.58 122.24 3mgo h GLU 63 Ca -0.03 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 3mgo h GLU 63 Cb 0.30 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3mgo h GLU 63 CO 0.04 0.74 0.10 1.15 -1.16 0.00 0.00 179.01 179.88 3mgo h THR 64 N 1.15 1.19 0.25 1.13 2.02 -0.88 -0.91 112.91 116.85 3mgo h THR 64 Ca 0.32 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3mgo h THR 64 Cb -0.10 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3mgo h THR 64 CO -0.07 0.20 -0.19 0.03 0.37 0.00 0.00 175.52 175.86 3mgo h ARG 65 N 0.31 -0.43 -0.69 6.66 3.08 -0.70 -2.27 114.38 120.34 3mgo h ARG 65 Ca 0.09 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3mgo h ARG 65 Cb 0.22 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3mgo h ARG 65 CO -0.01 -0.29 0.42 0.87 -1.07 0.00 0.00 179.97 179.90 3mgo h LYS 66 N -0.44 0.93 -0.22 0.04 1.57 -1.12 -1.81 116.57 115.50 3mgo h LYS 66 Ca -0.02 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3mgo h LYS 66 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3mgo h LYS 66 CO -0.01 0.65 -0.16 -0.24 -0.57 0.00 0.00 179.45 179.12 3mgo h VAL 67 N 0.93 1.22 -0.61 0.50 3.04 -1.11 0.03 116.25 120.26 3mgo h VAL 67 Ca 0.25 -1.01 -0.07 0.00 -1.01 0.00 0.00 66.70 64.86 3mgo h VAL 67 Cb -0.04 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 3mgo h VAL 67 CO -0.05 0.32 0.10 0.11 -1.01 0.00 0.00 177.57 177.05 3mgo h LYS 68 N 0.35 1.00 -0.46 4.17 1.57 -0.89 -0.46 116.57 121.85 3mgo h LYS 68 Ca 0.06 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3mgo h LYS 68 Cb 0.50 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3mgo h LYS 68 CO 0.03 0.94 0.18 0.00 -0.57 0.00 0.00 179.45 180.03 3mgo h ALA 69 N 1.02 0.60 -0.47 3.86 0.00 -0.60 -0.76 119.26 122.92 3mgo h ALA 69 Ca 0.19 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3mgo h ALA 69 Cb 0.42 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3mgo h ALA 69 CO 0.01 0.21 0.08 0.45 0.00 0.00 0.00 179.25 180.00 3mgo h HIS 70 N 0.61 0.12 -0.03 0.00 3.86 -0.83 -1.78 115.15 117.10 3mgo h HIS 70 Ca 0.15 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3mgo h HIS 70 Cb 0.20 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 3mgo h HIS 70 CO 0.00 -0.02 -0.17 1.03 0.86 0.00 0.00 177.93 179.64 3mgo h SER 71 N 0.21 -0.49 -0.41 2.45 0.87 -0.38 -1.81 113.55 113.98 3mgo h SER 71 Ca 0.23 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 3mgo h SER 71 Cb 0.31 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3mgo h SER 71 CO -0.32 -0.22 0.11 1.56 -0.53 0.00 0.00 176.83 177.43 3mgo h GLN 72 N -0.26 0.73 -0.60 2.24 1.08 -0.90 -1.35 115.11 116.05 3mgo h GLN 72 Ca 0.06 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 3mgo h GLN 72 Cb 0.34 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3mgo h GLN 72 CO -0.18 0.67 0.23 1.15 -0.95 0.00 0.00 178.83 179.75 3mgo h THR 73 N 0.71 1.23 -0.55 -0.54 2.02 -1.03 -2.49 112.91 112.25 3mgo h THR 73 Ca 0.16 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 3mgo h THR 73 Cb 0.28 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3mgo h THR 73 CO -0.00 0.28 0.06 0.45 0.37 0.00 0.00 175.52 176.68 3mgo h HIS 74 N 0.83 0.95 -0.82 3.16 3.86 -0.74 -0.11 115.15 122.28 3mgo h HIS 74 Ca 0.20 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3mgo h HIS 74 Cb 0.22 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 3mgo h HIS 74 CO 0.01 0.84 0.53 -0.09 0.86 0.00 0.00 177.93 180.08 3mgo h ARG 75 N 0.85 1.00 -0.30 2.45 2.43 -1.01 -1.04 114.38 118.75 3mgo h ARG 75 Ca 0.17 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 3mgo h ARG 75 Cb 0.42 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3mgo h ARG 75 CO 0.01 0.66 -0.23 0.28 -1.51 0.00 0.00 179.97 179.19 3mgo h VAL 76 N 1.03 1.30 -0.83 0.20 2.07 -1.06 -3.16 116.25 115.80 3mgo h VAL 76 Ca 0.33 -1.38 0.09 0.00 0.82 0.00 0.00 66.70 66.56 3mgo h VAL 76 Cb 0.00 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3mgo h VAL 76 CO -0.11 0.44 0.54 0.44 0.02 0.00 0.00 177.57 178.90 3mgo h ASP 77 N 0.44 0.73 -0.46 0.57 3.32 -0.41 -1.81 116.42 118.80 3mgo h ASP 77 Ca 0.06 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3mgo h ASP 77 Cb 0.78 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 3mgo h ASP 77 CO 0.06 0.44 0.22 -0.07 -1.72 0.00 0.00 179.24 178.16 3mgo h LEU 78 N 0.81 0.30 -0.16 1.55 3.38 -1.18 0.36 115.31 120.37 3mgo h LEU 78 Ca 0.38 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 3mgo h LEU 78 Cb 0.40 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3mgo h LEU 78 CO -0.15 0.21 -0.01 1.23 0.09 0.00 0.00 178.44 179.81 3mgo h GLY 79 N 0.43 0.32 0.62 0.83 0.00 -1.47 -1.96 103.07 101.84 3mgo h GLY 79 Ca 0.20 -0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.37 3mgo h GLY 79 CO -0.16 0.22 0.50 -0.84 0.00 0.00 0.00 176.54 176.27 3mgo h THR 80 N 0.02 0.97 -0.05 4.70 2.02 -1.05 -1.17 112.91 118.37 3mgo h THR 80 Ca 0.04 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 3mgo h THR 80 Cb 0.41 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3mgo h THR 80 CO 0.01 0.16 -0.56 -0.07 0.37 0.00 0.00 175.52 175.44 3mgo h LEU 81 N 0.88 0.16 -0.95 2.58 3.38 -0.89 -1.59 115.31 118.87 3mgo h LEU 81 Ca 0.39 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3mgo h LEU 81 Cb 0.27 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3mgo h LEU 81 CO -0.21 0.68 0.11 -0.09 0.09 0.00 0.00 178.44 179.03 3mgo h ARG 82 N 0.11 0.88 -0.18 1.13 2.43 -0.46 -2.66 114.38 115.63 3mgo h ARG 82 Ca -0.00 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3mgo h ARG 82 Cb 1.01 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3mgo h ARG 82 CO 0.08 0.80 -0.13 0.78 -1.51 0.00 0.00 179.97 180.00 3mgo h GLY 83 N 0.99 0.44 0.34 2.80 0.00 -0.95 -1.56 103.07 105.13 3mgo h GLY 83 Ca 0.18 -0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.21 3mgo h GLY 83 CO 0.00 0.38 0.38 -0.97 0.00 0.00 0.00 176.54 176.34 3mgo h TYR 84 N 0.08 0.68 -0.67 5.60 0.05 -1.12 -1.99 116.97 119.59 3mgo h TYR 84 Ca 0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.85 3mgo h TYR 84 Cb 0.64 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3mgo h TYR 84 CO 0.07 0.20 0.00 0.66 -1.05 0.00 0.00 178.16 178.04 3mgo n TYR 85 N -4.88 0.90 -3.50 4.88 4.01 -1.02 -4.94 117.16 112.62 3mgo n TYR 85 Ca 0.14 -0.45 -0.15 0.00 -0.16 0.00 0.00 57.90 57.28 3mgo n TYR 85 Cb 0.35 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 1.46 -6.05 -4.41 7.72 5.15 -0.75 -5.00 115.26 113.39 3mgo n ASN 86 Ca 0.22 -0.61 -0.27 0.00 -0.60 0.00 0.00 54.58 53.33 3mgo n ASN 86 Cb 0.57 -3.17 -0.12 0.00 -0.53 0.00 0.00 39.78 36.52 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 -4.19 1.47 0.82 1.20 -0.21 -0.63 -5.05 119.66 113.06 3mgo s GLN 87 Ca 0.01 -1.47 -0.10 0.00 0.02 0.00 0.00 55.36 53.81 3mgo s GLN 87 Cb -0.00 -1.81 0.08 0.00 1.00 0.00 0.00 33.01 32.28 3mgo s GLN 87 CO 0.84 0.40 1.10 -1.54 -2.12 0.00 0.00 175.29 173.97 3mgo s SER 88 N -2.53 4.03 0.00 5.90 1.04 -1.26 -4.82 113.70 116.05 3mgo s SER 88 Ca 0.19 1.88 0.31 0.00 0.48 0.00 0.00 55.95 58.80 3mgo s SER 88 Cb -0.08 -2.50 1.61 0.00 0.10 0.00 0.00 66.02 65.15 3mgo s SER 88 CO 0.09 -2.35 2.07 -0.62 0.98 0.00 0.00 173.24 173.41 3mgo n GLU 89 N -3.73 0.94 0.05 4.02 1.02 -1.26 -3.63 120.64 118.06 3mgo n GLU 89 Ca 0.09 -0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.14 3mgo n GLU 89 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 3mgo n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mgo n ALA 90 N -0.88 2.38 -2.00 0.62 0.00 -1.26 -4.70 120.51 114.66 3mgo n ALA 90 Ca 0.20 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 3mgo n ALA 90 Cb 0.19 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 3mgo n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mgo s GLY 91 N -4.56 2.90 -0.02 0.00 0.00 -1.24 -4.65 107.32 99.75 3mgo s GLY 91 Ca -0.03 0.82 -0.26 0.00 0.00 0.00 0.00 44.72 45.25 3mgo s GLY 91 CO 0.82 1.61 0.80 -0.45 0.00 0.00 0.00 173.10 175.88 3mgo s SER 92 N -0.28 7.16 0.11 1.64 0.15 -1.26 -4.73 113.70 116.49 3mgo s SER 92 Ca 0.48 1.40 0.03 0.00 0.70 0.00 0.00 55.95 58.56 3mgo s SER 92 Cb -0.30 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 3mgo s SER 92 CO 0.36 -0.13 -0.08 -1.00 1.20 0.00 0.00 173.24 173.59 3mgo s HIS 93 N 0.64 1.03 -0.07 3.44 3.76 -1.26 -4.96 115.29 117.88 3mgo s HIS 93 Ca 0.42 -0.82 0.06 0.00 -0.15 0.00 0.00 55.06 54.57 3mgo s HIS 93 Cb -0.19 -0.56 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 3mgo s HIS 93 CO 0.22 -0.05 -0.25 0.99 -0.85 0.00 0.00 174.74 174.81 3mgo s THR 94 N -3.30 2.03 -0.10 1.30 2.01 -1.26 -1.64 115.64 114.68 3mgo s THR 94 Ca 0.12 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3mgo s THR 94 Cb 0.03 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3mgo s THR 94 CO -0.02 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.55 3mgo s VAL 95 N -0.04 2.00 -0.03 3.82 1.01 0.28 -0.64 120.40 126.80 3mgo s VAL 95 Ca -0.07 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 60.98 3mgo s VAL 95 Cb -0.15 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3mgo s VAL 95 CO 0.05 0.55 -0.18 -1.10 0.00 0.00 0.00 175.10 174.42 3mgo s GLN 96 N 0.44 1.68 0.00 2.72 -0.21 -0.52 -0.33 119.66 123.45 3mgo s GLN 96 Ca -0.17 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 54.62 3mgo s GLN 96 Cb -0.17 -1.52 -0.01 0.00 1.00 0.00 0.00 33.01 32.30 3mgo s GLN 96 CO 0.07 0.31 -0.14 0.50 -2.12 0.00 0.00 175.29 173.91 3mgo s ARG 97 N -0.15 1.04 -0.02 2.91 3.52 -0.39 -0.33 118.95 125.53 3mgo s ARG 97 Ca 0.01 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 3mgo s ARG 97 Cb -0.10 -1.02 0.01 0.00 -1.56 0.00 0.00 34.95 32.28 3mgo s ARG 97 CO 0.01 0.27 -0.06 1.41 -0.81 0.00 0.00 175.30 176.12 3mgo s MET 98 N -0.55 0.69 0.11 5.12 -2.45 -0.59 -0.24 119.30 121.39 3mgo s MET 98 Ca 0.04 -0.19 -0.11 0.00 -1.25 0.00 0.00 55.69 54.18 3mgo s MET 98 Cb -0.06 -0.68 0.01 0.00 1.25 0.00 0.00 34.83 35.35 3mgo s MET 98 CO -0.00 0.05 0.27 1.52 1.05 0.00 0.00 175.02 177.91 3mgo s TYR 99 N 0.32 0.04 -4.95 4.11 -0.85 -0.93 -1.44 117.35 113.65 3mgo s TYR 99 Ca -0.04 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.08 3mgo s TYR 99 Cb -0.08 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.32 3mgo s TYR 99 CO -0.00 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 173.82 3mgo n GLY 100 N -0.13 -1.24 3.17 5.49 0.00 -1.14 -0.27 105.19 111.07 3mgo n GLY 100 Ca -0.15 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.94 5.15 0.10 0.00 1.01 0.15 -1.38 116.67 119.76 3mgo s ASP 102 Ca -0.07 -0.10 0.07 0.00 0.71 0.00 0.00 52.55 53.16 3mgo s ASP 102 Cb -0.02 -1.29 -0.03 0.00 1.01 0.00 0.00 42.92 42.58 3mgo s ASP 102 CO -0.03 0.20 -0.17 0.68 0.21 0.00 0.00 175.17 176.07 3mgo s VAL 103 N -1.27 1.42 0.00 -1.27 -7.23 0.50 -0.91 120.40 111.65 3mgo s VAL 103 Ca 0.25 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3mgo s VAL 103 Cb -0.12 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.42 3mgo s VAL 103 CO 0.17 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 3mgo n GLY 104 N 0.95 0.23 0.25 2.32 0.00 -1.05 -1.52 105.19 106.37 3mgo n GLY 104 Ca -0.19 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.05 1.61 0.02 -1.92 -1.49 113.55 111.72 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 0.14 0.00 -0.90 -1.14 0.00 0.00 176.83 174.93 3mgo n ASP 106 N -3.40 1.20 -1.69 3.07 5.68 -1.26 -4.91 116.55 115.24 3mgo n ASP 106 Ca -0.01 -1.47 -0.18 0.00 -0.50 0.00 0.00 54.79 52.63 3mgo n ASP 106 Cb 0.33 -0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.04 -0.37 -3.80 2.11 7.02 -0.56 -4.99 117.44 116.80 3mgo n TRP 107 Ca 0.19 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.36 3mgo n TRP 107 Cb 0.29 -3.32 -0.04 0.00 -2.42 0.00 0.00 31.31 25.81 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 -4.13 3.52 0.15 -0.99 0.52 -1.26 -4.82 118.95 111.93 3mgo s ARG 108 Ca 0.00 -0.30 -0.33 0.00 -0.52 0.00 0.00 55.73 54.57 3mgo s ARG 108 Cb 0.00 -2.94 -0.16 0.00 0.52 0.00 0.00 34.95 32.36 3mgo s ARG 108 CO 0.00 0.53 1.09 0.34 0.02 0.00 0.00 175.30 177.29 3mgo n PHE 109 N 0.09 1.04 0.00 -0.53 -0.00 -1.26 -2.54 117.46 114.25 3mgo n PHE 109 Ca -0.04 0.76 0.00 0.00 -0.00 0.00 0.00 57.45 58.17 3mgo n PHE 109 Cb 0.52 -2.22 0.00 0.00 -0.00 0.00 0.00 39.48 37.77 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 1.96 1.88 -3.61 -2.13 0.00 -0.08 -4.80 117.00 110.23 3mgo n LEU 110 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 56.04 3mgo n LEU 110 Cb 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.57 3mgo n LEU 110 CO 0.61 0.31 0.56 -0.60 0.00 0.00 0.00 177.39 178.26 3mgo s ARG 111 N -1.97 0.75 0.12 1.96 3.52 -1.15 -4.98 118.95 117.21 3mgo s ARG 111 Ca 0.00 0.65 0.09 0.00 -0.13 0.00 0.00 55.73 56.34 3mgo s ARG 111 Cb 0.00 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.72 3mgo s ARG 111 CO 0.00 -0.14 -0.22 0.20 -0.81 0.00 0.00 175.30 174.33 3mgo s GLY 112 N -0.12 1.35 0.07 8.12 0.00 -1.26 -0.67 107.32 114.80 3mgo s GLY 112 Ca -0.01 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.40 3mgo s GLY 112 CO 0.01 -1.36 -0.11 -0.19 0.00 0.00 0.00 173.10 171.45 3mgo s TYR 113 N -1.32 1.01 -0.30 1.90 1.51 -0.46 -4.84 117.35 114.85 3mgo s TYR 113 Ca 0.10 -0.53 -0.08 0.00 -1.01 0.00 0.00 57.07 55.55 3mgo s TYR 113 Cb -0.09 -0.57 0.18 0.00 -0.11 0.00 0.00 41.96 41.37 3mgo s TYR 113 CO 0.05 -0.00 0.88 -1.58 -1.11 0.00 0.00 175.55 173.79 3mgo s HIS 114 N -1.68 -0.95 -0.04 2.71 2.46 -1.25 -2.90 115.29 113.65 3mgo s HIS 114 Ca -0.02 0.95 -0.07 0.00 0.47 0.00 0.00 55.06 56.40 3mgo s HIS 114 Cb -0.08 0.31 0.01 0.00 -0.13 0.00 0.00 32.58 32.70 3mgo s HIS 114 CO 0.01 -0.52 0.16 -0.65 -2.47 0.00 0.00 174.74 171.27 3mgo s GLN 115 N 2.92 0.31 0.14 2.88 -0.21 -0.52 -0.73 119.66 124.43 3mgo s GLN 115 Ca 0.09 0.01 0.09 0.00 0.02 0.00 0.00 55.36 55.57 3mgo s GLN 115 Cb -0.11 0.14 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 3mgo s GLN 115 CO -0.16 -0.06 -0.17 0.71 -2.12 0.00 0.00 175.29 173.49 3mgo s TYR 116 N -0.44 2.52 0.01 0.91 1.51 0.56 -1.55 117.35 120.87 3mgo s TYR 116 Ca -0.05 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3mgo s TYR 116 Cb -0.03 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3mgo s TYR 116 CO 0.01 0.42 -0.06 0.00 -1.11 0.00 0.00 175.55 174.80 3mgo s ALA 117 N -1.30 0.52 -0.17 3.71 0.00 0.56 -1.54 121.76 123.54 3mgo s ALA 117 Ca 0.19 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3mgo s ALA 117 Cb -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3mgo s ALA 117 CO 0.11 0.10 -0.20 -0.47 0.00 0.00 0.00 175.76 175.30 3mgo s TYR 118 N -0.38 2.72 -1.53 0.00 5.04 -0.23 -1.44 117.35 121.53 3mgo s TYR 118 Ca 0.00 -1.55 -0.13 0.00 -2.44 0.00 0.00 57.07 52.95 3mgo s TYR 118 Cb -0.04 -1.87 0.08 0.00 0.35 0.00 0.00 41.96 40.48 3mgo s TYR 118 CO -0.00 -0.75 0.95 -0.25 -1.34 0.00 0.00 175.55 174.16 3mgo n ASP 119 N 4.49 -4.83 0.00 4.32 8.00 0.18 -2.14 116.55 126.57 3mgo n ASP 119 Ca -0.21 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3mgo n ASP 119 Cb 0.50 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 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 -1.66 0.63 3.30 0.44 0.00 -1.26 -5.01 105.19 101.63 3mgo n GLY 120 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.18 1.59 -0.06 1.61 1.02 -0.91 -5.09 119.74 117.72 3mgo s LYS 121 Ca 0.00 -1.04 -0.38 0.00 0.02 0.00 0.00 55.97 54.57 3mgo s LYS 121 Cb 0.00 -1.75 -0.16 0.00 -0.52 0.00 0.00 37.83 35.40 3mgo s LYS 121 CO 0.00 0.45 1.53 -0.25 -0.92 0.00 0.00 175.35 176.16 3mgo n ASP 122 N 1.78 2.06 0.00 2.83 8.00 -1.26 -1.07 116.55 128.89 3mgo n ASP 122 Ca -0.17 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.42 3mgo n ASP 122 Cb 0.53 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 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 3.81 0.00 -4.09 1.24 9.36 -0.59 -4.67 117.16 122.22 3mgo n TYR 123 Ca 0.22 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.29 3mgo n TYR 123 Cb 0.17 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.75 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 -0.82 0.42 -0.05 2.97 2.07 -1.22 -2.27 121.20 122.30 3mgo s ILE 124 Ca 0.00 -0.59 -0.04 0.00 -1.41 0.00 0.00 60.65 58.61 3mgo s ILE 124 Cb 0.00 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.18 3mgo s ILE 124 CO 0.00 -0.12 0.13 0.00 -1.91 0.00 0.00 174.94 173.04 3mgo s ALA 125 N -0.69 -0.29 -0.05 1.50 0.00 -0.94 -0.32 121.76 120.97 3mgo s ALA 125 Ca -0.04 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3mgo s ALA 125 Cb -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3mgo s ALA 125 CO 0.00 -0.08 1.21 -1.17 0.00 0.00 0.00 175.76 175.72 3mgo s LEU 126 N 0.35 4.28 0.97 0.00 2.96 0.09 -0.35 118.68 126.98 3mgo s LEU 126 Ca -0.02 1.83 -0.12 0.00 -0.22 0.00 0.00 54.13 55.60 3mgo s LEU 126 Cb -0.04 -3.56 0.17 0.00 0.50 0.00 0.00 46.19 43.27 3mgo s LEU 126 CO -0.01 -0.59 1.09 -0.54 -1.32 0.00 0.00 176.35 174.97 3mgo s LYS 127 N 2.22 0.68 0.41 1.98 1.02 -0.09 -4.61 119.74 121.34 3mgo s LYS 127 Ca 0.56 0.64 0.09 0.00 0.02 0.00 0.00 55.97 57.29 3mgo s LYS 127 Cb -0.25 -1.76 0.90 0.00 -0.52 0.00 0.00 37.83 36.20 3mgo s LYS 127 CO 0.22 -2.59 2.00 1.49 -0.92 0.00 0.00 175.35 175.55 3mgo h GLU 128 N -1.80 0.53 0.00 1.68 4.81 -1.88 -0.00 114.58 117.92 3mgo h GLU 128 Ca -0.53 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3mgo h GLU 128 Cb 1.31 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3mgo h GLU 128 CO 0.56 0.35 0.00 -0.40 -0.73 0.00 0.00 179.01 178.79 3mgo n ASP 129 N -4.47 0.02 -2.34 1.04 5.68 -1.26 -4.78 116.55 110.44 3mgo n ASP 129 Ca 0.08 0.50 -0.20 0.00 -0.50 0.00 0.00 54.79 54.67 3mgo n ASP 129 Cb 0.22 -0.51 -0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 -1.52 -2.03 0.00 -2.12 4.77 -0.02 -4.81 117.00 111.28 3mgo n LEU 130 Ca 0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3mgo n LEU 130 Cb 0.17 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 3mgo n LEU 130 CO 0.14 -0.13 -0.21 0.54 -1.33 0.00 0.00 177.39 176.40 3mgo n ARG 131 N -3.05 1.75 -4.51 3.23 1.74 -1.26 -4.61 116.66 109.95 3mgo n ARG 131 Ca -0.21 0.00 -0.24 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 31.29 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 -1.78 3.39 0.19 0.55 1.04 -1.26 -4.88 113.70 110.95 3mgo s SER 132 Ca 0.00 -1.21 0.11 0.00 0.48 0.00 0.00 55.95 55.32 3mgo s SER 132 Cb 0.00 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 3mgo s SER 132 CO 0.00 -0.28 -0.19 0.26 0.98 0.00 0.00 173.24 174.02 3mgo s TRP 133 N -2.77 2.42 -0.29 5.02 0.52 -1.26 -0.91 118.94 121.67 3mgo s TRP 133 Ca 0.32 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 56.08 3mgo s TRP 133 Cb 0.04 -1.19 0.02 0.00 -1.15 0.00 0.00 33.47 31.18 3mgo s TRP 133 CO 0.15 0.51 0.05 0.99 0.02 0.00 0.00 176.95 178.67 3mgo s THR 134 N -1.71 3.67 -0.29 2.01 2.01 0.53 -4.88 115.64 116.98 3mgo s THR 134 Ca 0.23 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.29 3mgo s THR 134 Cb -0.08 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 3mgo s THR 134 CO 0.12 0.07 0.15 0.00 -0.69 0.00 0.00 174.62 174.27 3mgo s ALA 135 N 1.44 3.35 0.10 7.40 0.00 -1.26 -2.20 121.76 130.59 3mgo s ALA 135 Ca 0.01 -1.23 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 3mgo s ALA 135 Cb -0.17 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.51 3mgo s ALA 135 CO 0.01 -0.70 1.64 0.00 0.00 0.00 0.00 175.76 176.70 3mgo h ALA 136 N 8.34 0.31 -2.99 0.00 0.00 -1.72 -3.47 119.26 119.73 3mgo h ALA 136 Ca -0.34 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mgo h ALA 136 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3mgo h ALA 136 CO 0.59 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 3mgo n ASP 137 N -4.79 0.00 -0.08 0.00 5.68 -1.26 -5.04 116.55 111.06 3mgo n ASP 137 Ca -0.03 -0.34 -0.11 0.00 -0.50 0.00 0.00 54.79 53.81 3mgo n ASP 137 Cb 0.13 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 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 0.40 -0.71 0.11 2.86 -2.00 -2.66 114.93 112.94 3mgo h MET 138 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3mgo h MET 138 Cb 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3mgo h MET 138 CO 0.00 0.49 0.46 0.00 1.06 0.00 0.00 176.91 178.91 3mgo h ALA 139 N 0.90 0.90 0.00 6.32 0.00 -1.97 -1.79 119.26 123.62 3mgo h ALA 139 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mgo h ALA 139 Cb 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3mgo h ALA 139 CO -0.00 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.54 3mgo h ALA 140 N 1.25 1.74 -0.23 0.00 0.00 -1.83 -2.32 119.26 117.86 3mgo h ALA 140 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3mgo h ALA 140 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mgo h ALA 140 CO -0.05 0.06 0.10 1.96 0.00 0.00 0.00 179.25 181.32 3mgo h GLN 141 N 0.00 0.34 -0.33 0.00 1.08 -0.96 0.10 115.11 115.34 3mgo h GLN 141 Ca -0.00 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.21 3mgo h GLN 141 Cb 0.10 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.40 3mgo h GLN 141 CO 0.01 0.38 -0.13 1.15 -0.95 0.00 0.00 178.83 179.28 3mgo h THR 142 N 0.23 0.56 -0.56 -0.54 2.02 -1.35 0.95 112.91 114.22 3mgo h THR 142 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 3mgo h THR 142 Cb 0.16 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3mgo h THR 142 CO -0.01 0.00 0.33 0.74 0.37 0.00 0.00 175.52 176.95 3mgo h THR 143 N -0.07 1.17 -0.55 3.16 2.02 -1.47 -1.16 112.91 116.01 3mgo h THR 143 Ca 0.17 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 67.04 3mgo h THR 143 Cb 0.33 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 3mgo h THR 143 CO -0.38 0.18 0.16 0.50 0.37 0.00 0.00 175.52 176.35 3mgo h LYS 144 N 0.75 0.31 -0.35 6.66 3.64 0.56 0.14 116.57 128.28 3mgo h LYS 144 Ca 0.20 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3mgo h LYS 144 Cb -0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3mgo h LYS 144 CO -0.04 0.20 -0.09 0.45 -2.27 0.00 0.00 179.45 177.71 3mgo h HIS 145 N 0.32 0.76 -0.68 1.91 3.86 -0.64 -1.54 115.15 119.14 3mgo h HIS 145 Ca 0.28 -0.16 0.08 0.00 -1.16 0.00 0.00 60.37 59.40 3mgo h HIS 145 Cb 0.35 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 3mgo h HIS 145 CO -0.20 0.84 0.35 -0.22 0.86 0.00 0.00 177.93 179.56 3mgo h LYS 146 N 0.47 0.60 0.01 2.45 3.64 -0.41 -1.64 116.57 121.68 3mgo h LYS 146 Ca 0.09 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 3mgo h LYS 146 Cb 0.59 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3mgo h LYS 146 CO 0.04 0.40 -0.90 -1.49 -2.27 0.00 0.00 179.45 175.22 3mgo h TRP 147 N 0.62 0.20 -0.26 1.91 4.06 -0.66 -2.82 115.95 118.99 3mgo h TRP 147 Ca 0.32 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 61.14 3mgo h TRP 147 Cb 0.29 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 3mgo h TRP 147 CO -0.10 0.96 0.10 0.93 -3.56 0.00 0.00 178.44 176.77 3mgo h GLU 148 N 0.06 0.39 -0.21 0.49 5.08 -0.98 -0.79 114.58 118.63 3mgo h GLU 148 Ca -0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3mgo h GLU 148 Cb 1.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 3mgo h GLU 148 CO 0.13 0.43 0.02 0.00 -1.00 0.00 0.00 179.01 178.59 3mgo h ALA 149 N 0.94 1.65 -0.21 3.43 0.00 -1.27 -1.14 119.26 122.66 3mgo h ALA 149 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mgo h ALA 149 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mgo h ALA 149 CO -0.01 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3mgo n ALA 150 N -2.49 2.50 -3.82 0.00 0.00 -1.07 -4.94 120.51 110.68 3mgo n ALA 150 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 3mgo n ALA 150 Cb 0.17 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 0.60 -2.39 -0.29 0.00 -0.00 -0.43 -4.87 115.22 107.85 3mgo n HIS 151 Ca 0.17 0.90 0.01 0.00 -0.00 0.00 0.00 57.72 58.81 3mgo n HIS 151 Cb 0.40 -4.14 0.21 0.00 -0.00 0.00 0.00 29.99 26.46 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 -2.15 1.16 -0.86 1.59 2.07 -1.42 -2.87 116.25 113.78 3mgo h VAL 152 Ca -0.57 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3mgo h VAL 152 Cb 1.37 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3mgo h VAL 152 CO 0.65 0.20 0.47 0.00 0.02 0.00 0.00 177.57 178.90 3mgo h ALA 153 N 1.49 1.10 -0.77 1.67 0.00 -1.90 -1.95 119.26 118.90 3mgo h ALA 153 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3mgo h ALA 153 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3mgo h ALA 153 CO -0.10 0.61 0.43 0.93 0.00 0.00 0.00 179.25 181.12 3mgo h GLU 154 N 1.19 1.07 -0.20 0.00 3.07 -1.76 -0.27 114.58 117.68 3mgo h GLU 154 Ca 0.30 -0.11 -0.13 0.00 -0.50 0.00 0.00 59.36 58.92 3mgo h GLU 154 Cb 0.03 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 3mgo h GLU 154 CO -0.05 0.77 -0.38 1.96 -1.40 0.00 0.00 179.01 179.91 3mgo h GLN 155 N 1.08 0.62 -0.40 2.33 4.20 -1.49 -2.68 115.11 118.75 3mgo h GLN 155 Ca 0.27 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3mgo h GLN 155 Cb 0.01 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3mgo h GLN 155 CO -0.05 1.01 0.21 -0.07 -0.67 0.00 0.00 178.83 179.26 3mgo h LEU 156 N 0.30 0.52 -0.84 1.46 3.38 -1.11 -2.73 115.31 116.30 3mgo h LEU 156 Ca 0.01 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3mgo h LEU 156 Cb 0.98 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3mgo h LEU 156 CO 0.09 0.49 0.53 -0.09 0.09 0.00 0.00 178.44 179.54 3mgo h ARG 157 N 0.52 0.97 -1.00 1.13 2.43 -1.06 0.12 114.38 117.49 3mgo h ARG 157 Ca 0.14 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3mgo h ARG 157 Cb 0.09 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 3mgo h ARG 157 CO -0.02 0.64 0.65 0.00 -1.51 0.00 0.00 179.97 179.73 3mgo h ALA 158 N 1.38 1.28 -0.08 2.80 0.00 -1.28 0.71 119.26 124.07 3mgo h ALA 158 Ca 0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3mgo h ALA 158 Cb 0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3mgo h ALA 158 CO -0.15 0.66 -0.13 -0.92 0.00 0.00 0.00 179.25 178.72 3mgo h TYR 159 N 1.35 0.27 -0.69 0.00 3.20 -1.05 -1.75 116.97 118.31 3mgo h TYR 159 Ca 0.36 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 3mgo h TYR 159 Cb -0.15 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3mgo h TYR 159 CO 0.00 0.71 0.22 -0.07 -1.64 0.00 0.00 178.16 177.39 3mgo h LEU 160 N -0.24 0.99 0.00 2.82 3.38 -0.55 0.13 115.31 121.84 3mgo h LEU 160 Ca 0.01 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3mgo h LEU 160 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3mgo h LEU 160 CO 0.03 0.91 -0.92 -0.33 0.09 0.00 0.00 178.44 178.22 3mgo h GLU 161 N 1.02 0.00 0.00 1.13 5.08 -0.94 -3.32 114.58 117.55 3mgo h GLU 161 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3mgo h GLU 161 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3mgo h GLU 161 CO -0.01 0.53 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 3mgo n GLY 162 N 1.32 -0.03 0.37 -3.84 0.00 -0.66 -4.59 105.19 97.76 3mgo n GLY 162 Ca -0.03 0.00 -0.10 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 0.17 -0.38 2.61 2.02 -1.56 0.14 112.91 115.90 3mgo h THR 163 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3mgo h THR 163 Cb 0.00 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 66.50 3mgo h THR 163 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 3mgo h VAL 165 N -0.07 1.18 -0.25 0.00 2.07 -1.54 -1.11 116.25 116.53 3mgo h VAL 165 Ca 0.19 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3mgo h VAL 165 Cb 0.36 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3mgo h VAL 165 CO -0.44 0.19 0.16 -0.33 0.02 0.00 0.00 177.57 177.17 3mgo h GLU 166 N 0.44 0.31 0.00 1.57 5.08 0.35 -1.74 114.58 120.59 3mgo h GLU 166 Ca 0.12 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3mgo h GLU 166 Cb 0.15 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3mgo h GLU 166 CO -0.01 0.21 -0.70 -1.49 -1.00 0.00 0.00 179.01 176.01 3mgo h TRP 167 N 0.32 0.00 -0.36 4.33 4.06 -0.70 -2.45 115.95 121.14 3mgo h TRP 167 Ca 0.09 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.07 3mgo h TRP 167 Cb -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3mgo h TRP 167 CO -0.07 0.70 0.17 1.25 -3.56 0.00 0.00 178.44 176.93 3mgo h LEU 168 N 0.00 0.24 -0.36 -4.49 5.85 -0.93 -0.23 115.31 115.39 3mgo h LEU 168 Ca -0.01 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3mgo h LEU 168 Cb 1.30 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 3mgo h LEU 168 CO 0.09 0.18 0.05 0.03 -0.34 0.00 0.00 178.44 178.45 3mgo h ARG 169 N 0.35 0.16 -0.43 1.25 3.08 -1.13 -1.59 114.38 116.08 3mgo h ARG 169 Ca 0.16 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.24 3mgo h ARG 169 Cb 0.08 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3mgo h ARG 169 CO -0.12 0.11 0.19 -0.09 -1.07 0.00 0.00 179.97 178.99 3mgo h ARG 170 N 0.17 0.37 -0.83 0.04 2.43 -0.93 -1.92 114.38 113.71 3mgo h ARG 170 Ca 0.17 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3mgo h ARG 170 Cb 0.21 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3mgo h ARG 170 CO -0.24 0.25 0.46 1.88 -1.51 0.00 0.00 179.97 180.81 3mgo h TYR 171 N 0.39 1.13 -0.49 2.20 0.05 -0.73 -0.29 116.97 119.22 3mgo h TYR 171 Ca 0.19 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 3mgo h TYR 171 Cb 0.14 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3mgo h TYR 171 CO -0.12 0.78 0.22 -0.07 -1.05 0.00 0.00 178.16 177.92 3mgo h LEU 172 N 1.15 0.63 0.01 3.88 3.38 -0.71 0.14 115.31 123.79 3mgo h LEU 172 Ca 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3mgo h LEU 172 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3mgo h LEU 172 CO -0.05 0.55 -0.10 -0.33 0.09 0.00 0.00 178.44 178.60 3mgo h GLU 173 N 0.70 0.05 -0.38 1.13 5.08 -0.91 -2.23 114.58 118.02 3mgo h GLU 173 Ca 0.17 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3mgo h GLU 173 Cb 0.10 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3mgo h GLU 173 CO -0.02 0.91 0.01 -0.91 -1.00 0.00 0.00 179.01 177.99 3mgo h ASN 174 N -0.77 0.56 -0.67 1.42 -0.26 -0.95 -2.68 115.58 112.23 3mgo h ASN 174 Ca -0.01 -0.11 -0.38 0.00 -0.56 0.00 0.00 56.30 55.24 3mgo h ASN 174 Cb 0.95 -0.15 -0.22 0.00 -1.06 0.00 0.00 38.32 37.84 3mgo h ASN 174 CO 0.02 0.63 0.21 0.61 -1.06 0.00 0.00 177.43 177.84 3mgo n GLY 175 N -0.83 5.01 0.30 2.83 0.00 0.49 -4.75 105.19 108.25 3mgo n GLY 175 Ca 0.02 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 1.21 0.51 -0.67 1.61 3.64 -1.04 0.35 116.57 122.18 3mgo h LYS 176 Ca 0.42 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.84 3mgo h LYS 176 Cb 1.95 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.61 3mgo h LYS 176 CO 0.80 0.34 0.44 1.49 -2.27 0.00 0.00 179.45 180.25 3mgo h GLU 177 N 0.53 0.60 0.00 1.90 4.81 -1.86 -1.76 114.58 118.80 3mgo h GLU 177 Ca 0.48 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.42 3mgo h GLU 177 Cb 0.77 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 3mgo h GLU 177 CO -0.42 0.40 -2.00 0.25 -0.73 0.00 0.00 179.01 176.51 3mgo n THR 178 N -4.48 1.01 0.06 0.32 -2.24 -0.77 -4.33 114.28 103.84 3mgo n THR 178 Ca 0.10 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 3mgo n THR 178 Cb 0.28 -1.11 0.05 0.00 -2.10 0.00 0.00 70.33 67.45 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 0.43 -3.76 3.22 3.38 -0.38 -3.14 115.31 115.07 3mgo h LEU 179 Ca -0.39 -0.27 -0.32 0.00 0.09 0.00 0.00 57.88 56.98 3mgo h LEU 179 Cb 1.62 -0.13 -0.19 0.00 0.09 0.00 0.00 40.66 42.05 3mgo h LEU 179 CO -0.06 1.00 0.35 0.00 0.09 0.00 0.00 178.44 179.83 3mgo n GLN 180 N -3.84 2.80 -3.77 1.13 6.02 -0.66 -4.96 117.38 114.11 3mgo n GLN 180 Ca -0.04 -3.06 -0.31 0.00 -0.01 0.00 0.00 57.00 53.58 3mgo n GLN 180 Cb 0.69 -2.12 -0.04 0.00 1.02 0.00 0.00 30.24 29.78 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 -3.15 3.54 -0.24 -1.09 1.70 -1.19 -4.97 118.95 113.56 3mgo s ARG 181 Ca 0.54 -0.24 0.01 0.00 -0.47 0.00 0.00 55.73 55.57 3mgo s ARG 181 Cb 0.45 -2.92 0.06 0.00 -0.57 0.00 0.00 34.95 31.96 3mgo s ARG 181 CO 0.10 0.52 -0.07 0.95 -1.08 0.00 0.00 175.30 175.72 3mgo s THR 182 N -1.61 1.65 -0.49 4.99 -4.23 -1.26 -4.66 115.64 110.03 3mgo s THR 182 Ca 0.39 -1.27 -0.16 0.00 -1.18 0.00 0.00 61.69 59.47 3mgo s THR 182 Cb -0.12 -1.87 0.08 0.00 1.34 0.00 0.00 72.50 71.93 3mgo s THR 182 CO 0.26 -0.06 0.44 -1.81 -0.54 0.00 0.00 174.62 172.91 3mgo s ASP 183 N 1.35 6.16 0.39 3.99 1.11 -0.56 -4.88 116.67 124.23 3mgo s ASP 183 Ca -0.06 -1.34 -0.27 0.00 0.18 0.00 0.00 52.55 51.06 3mgo s ASP 183 Cb -0.19 -2.20 -0.09 0.00 1.07 0.00 0.00 42.92 41.51 3mgo s ASP 183 CO -0.06 -0.71 1.35 0.00 1.18 0.00 0.00 175.17 176.93 3mgo s ALA 184 N 1.77 3.38 0.33 5.23 0.00 -1.26 -1.32 121.76 129.89 3mgo s ALA 184 Ca 0.05 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 3mgo s ALA 184 Cb -0.24 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.24 3mgo s ALA 184 CO 0.07 -0.87 1.53 -1.25 0.00 0.00 0.00 175.76 175.24 3mgo s PRO 185 N -2.12 4.13 -0.35 0.00 0.04 -1.26 -4.59 135.00 130.85 3mgo s PRO 185 Ca 0.55 2.55 -0.24 0.00 0.04 0.00 0.00 61.00 63.89 3mgo s PRO 185 Cb -0.41 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.14 3mgo s PRO 185 CO 0.54 -0.56 0.83 0.15 0.04 0.00 0.00 177.00 178.00 3mgo s LYS 186 N -1.25 3.83 0.05 4.56 -0.14 0.60 -4.81 119.74 122.59 3mgo s LYS 186 Ca 0.58 0.46 0.04 0.00 -1.36 0.00 0.00 55.97 55.69 3mgo s LYS 186 Cb -0.47 -3.79 -0.04 0.00 -1.68 0.00 0.00 37.83 31.86 3mgo s LYS 186 CO 0.55 -0.85 -0.02 0.95 -0.76 0.00 0.00 175.35 175.22 3mgo s THR 187 N 3.20 3.94 0.25 2.17 -4.23 -1.26 -1.33 115.64 118.37 3mgo s THR 187 Ca 0.34 -0.88 -0.22 0.00 -1.18 0.00 0.00 61.69 59.75 3mgo s THR 187 Cb -0.13 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.93 3mgo s THR 187 CO 0.16 0.23 0.80 -1.38 -0.54 0.00 0.00 174.62 173.89 3mgo s HIS 188 N -1.20 -0.15 -0.02 3.99 -3.43 -1.15 -5.01 115.29 108.33 3mgo s HIS 188 Ca 0.22 -0.28 0.04 0.00 -0.80 0.00 0.00 55.06 54.25 3mgo s HIS 188 Cb -0.11 0.70 -0.01 0.00 -1.43 0.00 0.00 32.58 31.72 3mgo s HIS 188 CO 0.14 -1.14 -0.15 1.41 -2.00 0.00 0.00 174.74 173.00 3mgo s MET 189 N -3.62 1.31 0.08 -0.38 1.75 -1.26 -1.05 119.30 116.13 3mgo s MET 189 Ca 0.12 -0.54 0.08 0.00 -1.25 0.00 0.00 55.69 54.10 3mgo s MET 189 Cb -0.05 -1.23 -0.04 0.00 2.84 0.00 0.00 34.83 36.36 3mgo s MET 189 CO 0.06 0.30 -0.18 0.95 -0.65 0.00 0.00 175.02 175.50 3mgo s THR 190 N -0.24 2.84 -0.12 10.11 -4.23 -0.80 -4.97 115.64 118.23 3mgo s THR 190 Ca 0.04 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3mgo s THR 190 Cb -0.07 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.54 3mgo s THR 190 CO -0.00 0.21 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.96 3mgo s HIS 191 N -1.04 1.39 -0.02 3.99 2.46 -1.26 -1.75 115.29 119.06 3mgo s HIS 191 Ca 0.16 -0.73 0.02 0.00 0.47 0.00 0.00 55.06 54.98 3mgo s HIS 191 Cb -0.11 -1.18 0.01 0.00 -0.13 0.00 0.00 32.58 31.17 3mgo s HIS 191 CO 0.08 -0.51 -0.05 -1.01 -2.47 0.00 0.00 174.74 170.77 3mgo s HIS 192 N 1.74 0.65 -0.29 3.88 3.76 -0.87 -4.97 115.29 119.18 3mgo s HIS 192 Ca 0.04 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.54 3mgo s HIS 192 Cb -0.13 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.06 3mgo s HIS 192 CO -0.08 -0.09 0.90 0.00 -0.85 0.00 0.00 174.74 174.62 3mgo s ALA 193 N 0.36 3.57 -0.01 -1.40 0.00 -1.26 -0.12 121.76 122.90 3mgo s ALA 193 Ca -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 3mgo s ALA 193 Cb -0.08 -3.42 -0.27 0.00 0.00 0.00 0.00 23.12 19.34 3mgo s ALA 193 CO -0.00 -1.20 0.81 -0.39 0.00 0.00 0.00 175.76 174.99 3mgo h VAL 194 N 5.58 1.10 -0.64 0.00 -1.51 -1.91 -3.48 116.25 115.39 3mgo h VAL 194 Ca -0.22 -2.76 0.00 0.00 -1.23 0.00 0.00 66.70 62.49 3mgo h VAL 194 Cb 1.08 2.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.97 3mgo h VAL 194 CO 0.93 0.81 0.00 -0.24 -1.23 0.00 0.00 177.57 177.84 3mgo n SER 195 N -3.44 0.00 -0.31 4.19 2.88 -1.21 -5.03 113.62 110.69 3mgo n SER 195 Ca -0.18 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.39 3mgo n SER 195 Cb 1.04 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.57 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 2.30 -0.00 -3.46 5.75 -1.26 -4.38 116.55 115.50 3mgo n ASP 196 Ca 0.00 -1.86 0.05 0.00 -0.01 0.00 0.00 54.79 52.97 3mgo n ASP 196 Cb 0.00 -0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.08 0.00 -4.11 2.11 8.25 -1.26 -4.82 115.22 115.47 3mgo n HIS 197 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.42 3mgo n HIS 197 Cb 0.31 -0.18 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.53 0.97 0.06 -0.41 2.02 -1.26 -1.35 118.70 116.19 3mgo s GLU 198 Ca -0.02 -1.38 -0.18 0.00 0.02 0.00 0.00 54.97 53.41 3mgo s GLU 198 Cb 0.07 0.27 0.04 0.00 0.10 0.00 0.00 34.13 34.61 3mgo s GLU 198 CO 0.44 -0.29 0.42 0.00 0.02 0.00 0.00 175.26 175.84 3mgo s ALA 199 N -4.03 -1.01 -0.25 5.21 0.00 -0.05 -3.34 121.76 118.30 3mgo s ALA 199 Ca 0.22 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 3mgo s ALA 199 Cb 0.07 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 3mgo s ALA 199 CO 0.01 -0.49 0.22 0.99 0.00 0.00 0.00 175.76 176.48 3mgo s THR 200 N -2.73 5.31 -0.29 0.00 2.01 0.83 -0.47 115.64 120.31 3mgo s THR 200 Ca -0.04 0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 3mgo s THR 200 Cb -0.00 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 3mgo s THR 200 CO -0.04 0.30 0.12 -0.76 -0.69 0.00 0.00 174.62 173.54 3mgo s LEU 201 N 1.33 3.90 -0.15 4.42 1.43 -0.34 -2.05 118.68 127.22 3mgo s LEU 201 Ca 0.10 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3mgo s LEU 201 Cb -0.14 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3mgo s LEU 201 CO 0.07 -0.16 -0.09 -0.60 0.23 0.00 0.00 176.35 175.80 3mgo s ARG 202 N 1.59 3.50 -0.29 1.70 3.52 -0.72 -0.74 118.95 127.51 3mgo s ARG 202 Ca 0.04 -0.62 -0.11 0.00 -0.13 0.00 0.00 55.73 54.91 3mgo s ARG 202 Cb -0.17 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3mgo s ARG 202 CO 0.05 0.20 0.20 0.00 -0.81 0.00 0.00 175.30 174.93 3mgo s TRP 204 N 1.74 3.31 -0.13 0.00 0.52 -0.21 -1.35 118.94 122.82 3mgo s TRP 204 Ca 0.07 0.30 -0.01 0.00 0.02 0.00 0.00 56.10 56.48 3mgo s TRP 204 Cb -0.16 -1.84 0.04 0.00 -1.15 0.00 0.00 33.47 30.35 3mgo s TRP 204 CO 0.11 0.55 -0.03 0.00 0.02 0.00 0.00 176.95 177.59 3mgo s ALA 205 N -0.91 1.17 0.18 0.98 0.00 -0.27 -2.91 121.76 120.00 3mgo s ALA 205 Ca 0.14 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.62 3mgo s ALA 205 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3mgo s ALA 205 CO 0.03 -0.65 -0.16 -0.51 0.00 0.00 0.00 175.76 174.47 3mgo s LEU 206 N 1.77 2.49 -1.48 0.00 1.43 -0.44 -2.09 118.68 120.35 3mgo s LEU 206 Ca 0.03 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 3mgo s LEU 206 Cb -0.14 -0.71 0.07 0.00 0.03 0.00 0.00 46.19 45.44 3mgo s LEU 206 CO -0.07 -0.12 0.88 -1.20 0.23 0.00 0.00 176.35 176.07 3mgo n SER 207 N -0.01 -4.98 -4.77 2.29 7.64 -1.13 -0.29 113.62 112.37 3mgo n SER 207 Ca -0.11 -0.64 -0.28 0.00 1.01 0.00 0.00 58.87 58.85 3mgo n SER 207 Cb 0.59 -3.99 -0.06 0.00 -1.01 0.00 0.00 64.21 59.73 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 -3.23 3.14 -0.19 1.43 -0.12 -1.16 -4.62 117.98 113.23 3mgo s PHE 208 Ca 0.58 0.02 -0.14 0.00 -0.05 0.00 0.00 56.93 57.33 3mgo s PHE 208 Cb -0.29 -1.55 0.05 0.00 -0.63 0.00 0.00 43.02 40.61 3mgo s PHE 208 CO 0.71 0.52 0.49 -0.47 -0.05 0.00 0.00 175.22 176.41 3mgo s TYR 209 N -1.56 -0.62 0.26 3.49 5.04 -0.44 -1.00 117.35 122.52 3mgo s TYR 209 Ca 0.30 1.40 -0.04 0.00 -2.44 0.00 0.00 57.07 56.28 3mgo s TYR 209 Cb -0.11 0.26 0.06 0.00 0.35 0.00 0.00 41.96 42.52 3mgo s TYR 209 CO 0.22 -0.32 0.29 -2.30 -1.34 0.00 0.00 175.55 172.10 3mgo n PRO 210 N 3.46 -0.82 0.05 4.97 -0.02 -1.26 -1.49 135.00 139.89 3mgo n PRO 210 Ca -0.17 -0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 60.84 3mgo n PRO 210 Cb 0.56 -0.35 0.26 0.00 -0.02 0.00 0.00 33.50 33.96 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 -2.05 1.23 -1.63 3.55 0.00 -1.95 -3.45 119.26 114.97 3mgo h ALA 211 Ca -0.10 -0.31 -0.70 0.00 0.00 0.00 0.00 54.91 53.80 3mgo h ALA 211 Cb 0.29 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mgo h ALA 211 CO 0.07 0.50 1.01 -1.91 0.00 0.00 0.00 179.25 178.92 3mgo n GLU 212 N -4.16 1.42 -3.49 0.00 4.07 -1.26 -4.93 120.64 112.30 3mgo n GLU 212 Ca -0.00 0.51 -0.16 0.00 -0.06 0.00 0.00 57.16 57.45 3mgo n GLU 212 Cb 0.37 -2.28 -0.05 0.00 -0.06 0.00 0.00 31.44 29.42 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 4.08 0.00 -0.15 6.31 2.07 -1.26 -4.64 121.20 127.61 3mgo s ILE 213 Ca 0.98 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.22 3mgo s ILE 213 Cb -0.95 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.67 3mgo s ILE 213 CO 0.61 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.64 3mgo s THR 214 N -2.08 1.43 -0.18 4.00 2.01 -0.68 -5.01 115.64 115.12 3mgo s THR 214 Ca -0.07 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.29 3mgo s THR 214 Cb -0.00 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.10 3mgo s THR 214 CO 0.02 0.34 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.34 3mgo s LEU 215 N 1.53 2.18 0.03 4.42 1.43 -1.26 -1.63 118.68 125.37 3mgo s LEU 215 Ca 0.03 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3mgo s LEU 215 Cb -0.14 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3mgo s LEU 215 CO -0.09 -0.00 -0.06 0.42 0.23 0.00 0.00 176.35 176.84 3mgo s THR 216 N 1.30 0.42 -0.00 5.49 -4.23 -0.86 -4.93 115.64 112.82 3mgo s THR 216 Ca 0.05 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3mgo s THR 216 Cb -0.13 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 3mgo s THR 216 CO -0.12 -0.33 0.03 0.26 -0.54 0.00 0.00 174.62 173.91 3mgo s TRP 217 N -1.20 3.16 -0.00 3.99 0.52 -1.26 -0.20 118.94 123.95 3mgo s TRP 217 Ca -0.09 0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.19 3mgo s TRP 217 Cb -0.09 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3mgo s TRP 217 CO 0.00 0.50 -0.11 -0.65 0.02 0.00 0.00 176.95 176.71 3mgo s GLN 218 N -1.63 0.84 -0.24 4.98 -0.21 0.56 -1.75 119.66 122.21 3mgo s GLN 218 Ca 0.21 -0.41 -0.02 0.00 0.02 0.00 0.00 55.36 55.15 3mgo s GLN 218 Cb -0.12 -0.81 0.02 0.00 1.00 0.00 0.00 33.01 33.10 3mgo s GLN 218 CO 0.12 0.22 -0.06 0.50 -2.12 0.00 0.00 175.29 173.95 3mgo s ARG 219 N -0.35 2.98 -1.39 2.91 3.52 0.28 -0.55 118.95 126.35 3mgo s ARG 219 Ca 0.03 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 54.71 3mgo s ARG 219 Cb -0.04 -2.98 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 3mgo s ARG 219 CO -0.00 -0.34 0.31 -0.25 -0.81 0.00 0.00 175.30 174.20 3mgo n ASP 220 N 4.71 -4.85 0.00 -2.12 9.92 -0.43 -1.32 116.55 122.45 3mgo n ASP 220 Ca -0.17 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 3mgo n ASP 220 Cb 0.48 -4.01 0.00 0.00 -0.64 0.00 0.00 41.12 36.95 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 -1.15 0.74 3.44 0.44 0.00 -1.26 -5.04 105.19 102.36 3mgo n GLY 221 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.34 3.54 0.35 1.61 2.02 -0.43 -5.05 118.70 120.39 3mgo s GLU 222 Ca 0.00 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 3mgo s GLU 222 Cb 0.00 -2.79 -0.11 0.00 0.10 0.00 0.00 34.13 31.33 3mgo s GLU 222 CO 0.00 0.22 1.47 -0.51 0.02 0.00 0.00 175.26 176.47 3mgo s ASP 223 N 0.37 6.44 -0.63 -0.19 1.11 -1.26 -0.56 116.67 121.95 3mgo s ASP 223 Ca -0.07 2.95 0.00 0.00 0.18 0.00 0.00 52.55 55.61 3mgo s ASP 223 Cb -0.15 -2.66 0.43 0.00 1.07 0.00 0.00 42.92 41.61 3mgo s ASP 223 CO 0.04 -0.81 1.83 0.00 1.18 0.00 0.00 175.17 177.40 3mgo n GLN 224 N 0.92 2.91 -0.32 8.23 1.13 -0.72 -4.82 117.38 124.71 3mgo n GLN 224 Ca 0.02 -3.58 0.10 0.00 -1.94 0.00 0.00 57.00 51.61 3mgo n GLN 224 Cb 0.39 -2.28 0.22 0.00 0.11 0.00 0.00 30.24 28.68 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 1.53 0.10 -0.62 5.09 2.02 -1.91 0.26 112.91 119.38 3mgo h THR 225 Ca 0.54 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.71 3mgo h THR 225 Cb 0.76 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3mgo h THR 225 CO 1.37 0.01 0.00 0.00 0.37 0.00 0.00 175.52 177.27 3mgo n GLN 226 N -5.48 3.86 -0.33 6.66 10.64 -1.26 -4.11 117.38 127.35 3mgo n GLN 226 Ca 0.19 -2.82 0.03 0.00 -1.83 0.00 0.00 57.00 52.57 3mgo n GLN 226 Cb 0.62 -1.95 0.04 0.00 -0.86 0.00 0.00 30.24 28.09 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 1.01 0.71 -4.17 2.61 9.92 0.85 -5.05 116.55 122.43 3mgo n ASP 227 Ca 0.25 -2.23 -0.27 0.00 -0.53 0.00 0.00 54.79 52.02 3mgo n ASP 227 Cb 0.92 -0.24 -0.16 0.00 -0.64 0.00 0.00 41.12 41.00 3mgo n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3mgo s THR 228 N -0.83 1.52 -0.37 -3.53 -4.23 -0.87 -4.54 115.64 102.79 3mgo s THR 228 Ca 0.09 -0.79 -0.24 0.00 -1.18 0.00 0.00 61.69 59.57 3mgo s THR 228 Cb 0.08 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.65 3mgo s THR 228 CO 0.01 0.43 0.83 -0.70 -0.54 0.00 0.00 174.62 174.65 3mgo s GLU 229 N -0.17 3.77 -0.01 3.99 2.12 0.64 -4.92 118.70 124.13 3mgo s GLU 229 Ca 0.01 0.39 -0.01 0.00 0.36 0.00 0.00 54.97 55.71 3mgo s GLU 229 Cb -0.10 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 3mgo s GLU 229 CO 0.01 -0.89 0.11 -0.51 -0.54 0.00 0.00 175.26 173.44 3mgo s LEU 230 N 3.22 4.03 0.07 2.70 1.43 -1.26 -0.94 118.68 127.92 3mgo s LEU 230 Ca 0.33 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3mgo s LEU 230 Cb -0.13 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3mgo s LEU 230 CO 0.18 0.28 -0.05 0.68 0.23 0.00 0.00 176.35 177.66 3mgo s VAL 231 N -1.21 3.71 0.33 -1.59 -7.23 -1.13 -5.05 120.40 108.24 3mgo s VAL 231 Ca 0.23 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 3mgo s VAL 231 Cb -0.12 -2.71 -0.11 0.00 0.56 0.00 0.00 36.38 34.00 3mgo s VAL 231 CO 0.14 0.21 1.51 -0.70 -0.31 0.00 0.00 175.10 175.95 3mgo s GLU 232 N -1.99 4.14 0.24 4.82 2.12 -1.26 -4.60 118.70 122.16 3mgo s GLU 232 Ca 0.22 2.54 -0.31 0.00 0.36 0.00 0.00 54.97 57.77 3mgo s GLU 232 Cb -0.11 -3.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.14 3mgo s GLU 232 CO 0.13 -0.54 1.40 2.41 -0.54 0.00 0.00 175.26 178.13 3mgo n THR 233 N 1.24 0.96 -4.22 -1.70 -1.04 -1.26 -4.83 114.28 103.43 3mgo n THR 233 Ca 0.04 -0.24 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 3mgo n THR 233 Cb 0.39 -1.47 -0.12 0.00 -1.82 0.00 0.00 70.33 67.31 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 -0.43 0.88 0.14 -2.82 1.70 -0.07 -4.94 118.95 113.41 3mgo s ARG 234 Ca 0.68 -0.96 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 3mgo s ARG 234 Cb -0.65 -0.93 -0.07 0.00 -0.57 0.00 0.00 34.95 32.74 3mgo s ARG 234 CO 0.50 0.21 1.03 -1.25 -1.08 0.00 0.00 175.30 174.71 3mgo s PRO 235 N -1.67 4.65 0.30 3.89 0.04 -1.26 0.56 135.00 141.51 3mgo s PRO 235 Ca -0.00 1.57 0.16 0.00 0.04 0.00 0.00 61.00 62.77 3mgo s PRO 235 Cb -0.10 -3.33 0.32 0.00 0.04 0.00 0.00 34.50 31.43 3mgo s PRO 235 CO 0.02 0.14 1.56 0.00 0.04 0.00 0.00 177.00 178.77 3mgo h ALA 236 N 5.42 0.79 0.00 8.56 0.00 -1.18 -3.46 119.26 129.39 3mgo h ALA 236 Ca -0.43 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3mgo h ALA 236 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3mgo h ALA 236 CO 0.72 0.63 0.00 0.41 0.00 0.00 0.00 179.25 181.02 3mgo n GLY 237 N 0.75 0.51 0.31 0.00 0.00 -1.26 -4.93 105.19 100.58 3mgo n GLY 237 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 2.67 0.00 1.61 5.75 -1.26 -4.94 116.55 120.38 3mgo n ASP 238 Ca 0.00 -2.65 0.00 0.00 -0.01 0.00 0.00 54.79 52.13 3mgo n ASP 238 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 -0.74 0.28 3.91 6.12 0.00 -1.26 -5.06 105.19 108.43 3mgo n GLY 239 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.09 2.98 0.31 2.61 -4.23 -1.26 -4.88 115.64 109.07 3mgo s THR 240 Ca 0.00 -1.24 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 3mgo s THR 240 Cb 0.00 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 3mgo s THR 240 CO 0.00 -0.04 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.60 3mgo s PHE 241 N -2.40 2.16 0.15 3.99 0.08 -0.17 -0.62 117.98 121.17 3mgo s PHE 241 Ca 0.48 -0.59 0.04 0.00 0.12 0.00 0.00 56.93 56.98 3mgo s PHE 241 Cb -0.06 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 3mgo s PHE 241 CO 0.29 0.43 -0.09 -0.65 -0.10 0.00 0.00 175.22 175.10 3mgo s GLN 242 N -3.67 1.05 -0.26 0.44 -0.21 0.19 -2.84 119.66 114.37 3mgo s GLN 242 Ca 0.31 -1.45 -0.28 0.00 0.02 0.00 0.00 55.36 53.96 3mgo s GLN 242 Cb 0.03 -0.57 0.16 0.00 1.00 0.00 0.00 33.01 33.63 3mgo s GLN 242 CO 0.14 0.05 1.24 0.21 -2.12 0.00 0.00 175.29 174.81 3mgo s LYS 243 N -3.76 0.27 0.02 2.91 2.20 -0.89 -0.89 119.74 119.59 3mgo s LYS 243 Ca 0.17 0.16 -0.07 0.00 -0.36 0.00 0.00 55.97 55.87 3mgo s LYS 243 Cb 0.03 0.13 -0.00 0.00 -1.51 0.00 0.00 37.83 36.47 3mgo s LYS 243 CO 0.00 -0.06 0.14 1.67 -0.36 0.00 0.00 175.35 176.74 3mgo s TRP 244 N -0.55 0.09 -0.10 4.03 1.48 -1.26 -1.11 118.94 121.53 3mgo s TRP 244 Ca 0.05 -0.28 0.03 0.00 -1.06 0.00 0.00 56.10 54.84 3mgo s TRP 244 Cb -0.03 -0.07 0.01 0.00 -1.16 0.00 0.00 33.47 32.22 3mgo s TRP 244 CO -0.07 -0.34 -0.19 0.00 -4.06 0.00 0.00 176.95 172.29 3mgo s ALA 245 N -2.03 1.82 0.12 2.67 0.00 -0.46 -2.84 121.76 121.04 3mgo s ALA 245 Ca -0.10 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.20 3mgo s ALA 245 Cb -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3mgo s ALA 245 CO -0.02 0.14 -0.27 0.00 0.00 0.00 0.00 175.76 175.62 3mgo s ALA 246 N 0.60 2.37 0.02 0.00 0.00 -0.12 0.81 121.76 125.45 3mgo s ALA 246 Ca -0.14 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.39 3mgo s ALA 246 Cb -0.17 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3mgo s ALA 246 CO 0.04 0.54 -0.04 0.54 0.00 0.00 0.00 175.76 176.85 3mgo s VAL 247 N -1.02 0.19 -0.24 0.00 0.11 0.08 -0.26 120.40 119.26 3mgo s VAL 247 Ca 0.14 -0.76 -0.18 0.00 -2.93 0.00 0.00 61.98 58.25 3mgo s VAL 247 Cb -0.10 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 3mgo s VAL 247 CO 0.06 -0.36 0.51 -0.69 -3.33 0.00 0.00 175.10 171.28 3mgo s VAL 248 N -1.14 5.09 -0.17 2.04 1.01 -1.26 -1.20 120.40 124.77 3mgo s VAL 248 Ca -0.11 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3mgo s VAL 248 Cb -0.08 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3mgo s VAL 248 CO -0.01 0.12 -0.16 -0.69 0.00 0.00 0.00 175.10 174.37 3mgo s VAL 249 N 2.06 2.56 0.41 2.92 1.01 0.38 -4.94 120.40 124.81 3mgo s VAL 249 Ca 0.22 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 3mgo s VAL 249 Cb -0.16 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 3mgo s VAL 249 CO 0.09 0.51 1.35 -2.84 0.00 0.00 0.00 175.10 174.21 3mgo s PRO 250 N 1.01 3.91 0.05 2.72 0.02 -1.26 -0.87 135.00 140.58 3mgo s PRO 250 Ca -0.02 2.25 -0.37 0.00 0.02 0.00 0.00 61.00 62.88 3mgo s PRO 250 Cb -0.15 -2.75 -0.17 0.00 0.02 0.00 0.00 34.50 31.46 3mgo s PRO 250 CO -0.04 -0.58 1.35 0.43 -0.33 0.00 0.00 177.00 177.84 3mgo n SER 251 N 0.07 1.56 0.00 2.53 7.64 -0.46 -2.01 113.62 122.95 3mgo n SER 251 Ca 0.04 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3mgo n SER 251 Cb 0.43 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 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 2.56 0.47 0.00 0.23 0.00 -1.26 -4.92 105.19 102.27 3mgo n GLY 252 Ca 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.87 0.64 -0.33 1.61 6.02 -0.85 -4.77 117.38 116.82 3mgo n GLN 253 Ca 0.00 -0.82 0.23 0.00 -0.01 0.00 0.00 57.00 56.40 3mgo n GLN 253 Cb 0.00 -0.91 0.51 0.00 1.02 0.00 0.00 30.24 30.85 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 0.38 0.00 -1.09 3.07 -1.92 0.93 114.58 115.96 3mgo h GLU 254 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3mgo h GLU 254 Cb 0.31 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3mgo h GLU 254 CO 0.00 0.25 -0.08 -0.56 -1.40 0.00 0.00 179.01 177.22 3mgo h GLN 255 N 0.39 0.00 0.00 2.33 -0.00 -1.86 -2.66 115.11 113.31 3mgo h GLN 255 Ca 0.61 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 59.22 3mgo h GLN 255 Cb 1.55 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.02 3mgo h GLN 255 CO -0.32 0.08 -0.23 0.00 -0.00 0.00 0.00 178.83 178.36 3mgo h ARG 256 N 0.00 0.00 -5.98 0.06 3.08 -1.18 -3.46 114.38 106.90 3mgo h ARG 256 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3mgo h ARG 256 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 3mgo h ARG 256 CO 0.01 0.23 -0.26 0.71 -1.07 0.00 0.00 179.97 179.59 3mgo s TYR 257 N -3.43 3.67 -0.02 3.04 1.51 -1.00 -1.31 117.35 119.81 3mgo s TYR 257 Ca 0.02 0.87 0.01 0.00 -1.01 0.00 0.00 57.07 56.96 3mgo s TYR 257 Cb 0.09 -2.20 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 3mgo s TYR 257 CO 0.66 0.63 -0.03 0.95 -1.11 0.00 0.00 175.55 176.65 3mgo s THR 258 N -1.16 0.31 -0.10 -0.71 -4.23 0.28 -4.43 115.64 105.60 3mgo s THR 258 Ca 0.25 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.58 3mgo s THR 258 Cb -0.15 -0.34 -0.05 0.00 1.34 0.00 0.00 72.50 73.30 3mgo s THR 258 CO 0.13 0.14 0.28 0.00 -0.54 0.00 0.00 174.62 174.64 3mgo s HIS 260 N -0.40 2.73 -0.15 0.00 3.76 0.72 -0.47 115.29 121.49 3mgo s HIS 260 Ca 0.18 -1.11 0.01 0.00 -0.15 0.00 0.00 55.06 53.98 3mgo s HIS 260 Cb -0.14 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.70 3mgo s HIS 260 CO 0.06 -0.50 -0.18 0.08 -0.85 0.00 0.00 174.74 173.36 3mgo s VAL 261 N 0.76 2.42 -0.12 -0.90 1.01 -0.69 -2.03 120.40 120.85 3mgo s VAL 261 Ca -0.07 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3mgo s VAL 261 Cb -0.16 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3mgo s VAL 261 CO 0.00 0.53 -0.20 -1.10 0.00 0.00 0.00 175.10 174.33 3mgo s GLN 262 N 0.89 2.75 -0.04 2.72 -0.21 -0.65 -1.11 119.66 124.01 3mgo s GLN 262 Ca -0.04 -0.76 -0.23 0.00 0.02 0.00 0.00 55.36 54.34 3mgo s GLN 262 Cb -0.15 -2.21 0.05 0.00 1.00 0.00 0.00 33.01 31.70 3mgo s GLN 262 CO -0.02 0.02 0.51 -1.58 -2.12 0.00 0.00 175.29 172.10 3mgo s HIS 263 N 0.73 -0.44 0.54 0.91 2.46 -1.26 -1.69 115.29 116.54 3mgo s HIS 263 Ca -0.10 0.77 0.22 0.00 0.47 0.00 0.00 55.06 56.41 3mgo s HIS 263 Cb -0.16 0.26 1.41 0.00 -0.13 0.00 0.00 32.58 33.95 3mgo s HIS 263 CO 0.01 -0.49 2.11 1.49 -2.47 0.00 0.00 174.74 175.39 3mgo h GLU 264 N 3.53 0.00 -0.00 2.88 4.81 -1.94 -1.21 114.58 122.65 3mgo h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3mgo h GLU 264 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 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 -1.53 -0.91 3.57 1.92 0.00 -1.26 -4.76 105.19 102.22 3mgo n GLY 265 Ca 0.01 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.03 3.85 0.25 0.99 1.43 -0.46 -4.42 118.68 118.29 3mgo s LEU 266 Ca 0.46 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3mgo s LEU 266 Cb 0.22 -2.04 0.50 0.00 0.03 0.00 0.00 46.19 44.90 3mgo s LEU 266 CO 0.37 0.02 1.70 -0.65 0.23 0.00 0.00 176.35 178.02 3mgo h PRO 267 N 7.88 0.34 -3.85 1.29 0.11 -1.86 -3.42 132.00 132.48 3mgo h PRO 267 Ca -0.37 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 3mgo h PRO 267 Cb 1.18 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 32.02 3mgo h PRO 267 CO 0.61 0.22 -0.59 -1.59 -0.21 0.00 0.00 178.00 176.43 3mgo s LYS 268 N -6.01 0.47 0.33 1.05 0.00 -1.26 -5.14 119.74 109.18 3mgo s LYS 268 Ca -0.12 -0.68 -0.28 0.00 0.00 0.00 0.00 55.97 54.89 3mgo s LYS 268 Cb 0.22 0.18 -0.13 0.00 0.00 0.00 0.00 37.83 38.10 3mgo s LYS 268 CO 0.76 -0.10 1.16 -2.30 0.00 0.00 0.00 175.35 174.87 3mgo n PRO 269 N 1.13 1.77 -3.39 1.78 -0.02 -1.26 -4.97 135.00 130.05 3mgo n PRO 269 Ca -0.21 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 3mgo n PRO 269 Cb 0.57 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.47 4.29 -0.24 2.45 1.43 -0.27 -4.92 118.68 120.95 3mgo s LEU 270 Ca 0.57 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 3mgo s LEU 270 Cb -0.61 -3.36 0.06 0.00 0.03 0.00 0.00 46.19 42.31 3mgo s LEU 270 CO 0.61 0.06 -0.07 -0.89 0.23 0.00 0.00 176.35 176.29 3mgo s THR 271 N -1.56 1.66 -0.02 5.49 2.01 -1.26 -1.70 115.64 120.27 3mgo s THR 271 Ca 0.40 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 61.13 3mgo s THR 271 Cb -0.14 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 3mgo s THR 271 CO 0.20 -0.08 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.19 3mgo s LEU 272 N 1.33 3.02 -0.01 4.42 1.43 0.38 -4.95 118.68 124.31 3mgo s LEU 272 Ca -0.06 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 3mgo s LEU 272 Cb -0.19 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.33 3mgo s LEU 272 CO -0.06 0.31 0.18 0.00 0.23 0.00 0.00 176.35 177.01 3mgo s ARG 273 N -1.17 0.50 -0.25 1.70 1.70 -1.26 0.37 118.95 120.53 3mgo s ARG 273 Ca 0.15 -0.28 -0.29 0.00 -0.47 0.00 0.00 55.73 54.84 3mgo s ARG 273 Cb -0.11 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.48 3mgo s ARG 273 CO 0.05 -0.12 1.29 -0.46 -1.08 0.00 0.00 175.30 174.98 3mgo s TRP 274 N -1.21 2.73 0.00 5.89 -0.11 -1.26 -5.07 118.94 119.91 3mgo s TRP 274 Ca -0.13 0.92 0.00 0.00 1.22 0.00 0.00 56.10 58.11 3mgo s TRP 274 Cb -0.06 -3.76 0.00 0.00 -1.50 0.00 0.00 33.47 28.14 3mgo s TRP 274 CO 0.02 -1.72 0.00 -0.85 -4.62 0.00 0.00 176.95 169.78