#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 6.64 0.16 1.61 0.15 -1.26 -3.63 113.70 117.36 3mgo s SER 2 Ca 0.00 1.37 -0.01 0.00 0.70 0.00 0.00 55.95 58.01 3mgo s SER 2 Cb 0.00 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 3mgo s SER 2 CO 0.00 -0.43 0.07 -1.00 1.20 0.00 0.00 173.24 173.08 3mgo s HIS 3 N -2.38 1.00 -0.04 3.44 4.02 -0.23 -4.97 115.29 116.13 3mgo s HIS 3 Ca 0.55 -1.24 -0.29 0.00 1.02 0.00 0.00 55.06 55.11 3mgo s HIS 3 Cb -0.10 -0.54 0.06 0.00 -1.02 0.00 0.00 32.58 30.98 3mgo s HIS 3 CO 0.27 -0.50 0.63 -1.54 1.02 0.00 0.00 174.74 174.62 3mgo s SER 4 N -3.10 -0.60 -0.03 1.40 1.04 -1.26 -0.48 113.70 110.67 3mgo s SER 4 Ca 0.28 0.62 0.07 0.00 0.48 0.00 0.00 55.95 57.40 3mgo s SER 4 Cb 0.07 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 3mgo s SER 4 CO 0.05 -0.60 -0.25 -0.32 0.98 0.00 0.00 173.24 173.10 3mgo s MET 5 N -1.27 2.24 -0.02 4.02 0.00 -0.53 -0.15 119.30 123.60 3mgo s MET 5 Ca -0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 55.69 54.64 3mgo s MET 5 Cb -0.01 -2.09 0.00 0.00 0.00 0.00 0.00 34.83 32.73 3mgo s MET 5 CO 0.09 0.52 0.06 1.03 0.00 0.00 0.00 175.02 176.72 3mgo s ARG 6 N -0.50 0.14 -0.11 4.11 1.81 -0.37 -1.61 118.95 122.42 3mgo s ARG 6 Ca 0.07 -0.03 0.03 0.00 -1.72 0.00 0.00 55.73 54.07 3mgo s ARG 6 Cb -0.11 0.06 -0.00 0.00 -0.45 0.00 0.00 34.95 34.45 3mgo s ARG 6 CO 0.00 -0.02 -0.21 0.71 -0.68 0.00 0.00 175.30 175.09 3mgo s TYR 7 N -0.27 2.63 -0.18 -0.53 2.02 -0.31 -0.22 117.35 120.49 3mgo s TYR 7 Ca -0.03 -1.03 -0.02 0.00 -0.37 0.00 0.00 57.07 55.62 3mgo s TYR 7 Cb -0.02 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 3mgo s TYR 7 CO 0.00 -0.42 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.42 3mgo s PHE 8 N 0.44 2.91 -0.12 2.71 0.08 0.03 -2.67 117.98 121.35 3mgo s PHE 8 Ca -0.15 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.17 3mgo s PHE 8 Cb -0.17 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 3mgo s PHE 8 CO 0.06 -0.35 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.55 3mgo s PHE 9 N 0.88 2.63 -0.11 0.36 0.08 0.80 -1.72 117.98 120.91 3mgo s PHE 9 Ca -0.02 -1.14 0.02 0.00 0.12 0.00 0.00 56.93 55.90 3mgo s PHE 9 Cb -0.15 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3mgo s PHE 9 CO 0.01 -0.49 -0.15 0.99 -0.10 0.00 0.00 175.22 175.48 3mgo s THR 10 N 0.56 1.46 -0.14 0.64 2.01 -0.38 -0.81 115.64 118.97 3mgo s THR 10 Ca -0.13 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3mgo s THR 10 Cb -0.17 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.02 3mgo s THR 10 CO 0.04 0.43 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.71 3mgo s SER 11 N 1.05 2.65 -0.20 3.53 0.15 0.55 -1.22 113.70 120.20 3mgo s SER 11 Ca -0.05 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.13 3mgo s SER 11 Cb -0.15 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.04 3mgo s SER 11 CO -0.02 -0.05 -0.16 -0.69 1.20 0.00 0.00 173.24 173.51 3mgo s VAL 12 N 1.47 1.99 0.43 4.45 1.01 -0.25 -0.43 120.40 129.06 3mgo s VAL 12 Ca 0.04 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 3mgo s VAL 12 Cb -0.13 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 3mgo s VAL 12 CO -0.10 0.33 1.15 -0.94 0.00 0.00 0.00 175.10 175.54 3mgo s SER 13 N 1.27 6.37 -0.44 3.32 1.04 -0.48 -1.06 113.70 123.72 3mgo s SER 13 Ca 0.00 2.29 0.02 0.00 0.48 0.00 0.00 55.95 58.75 3mgo s SER 13 Cb -0.15 -2.61 0.14 0.00 0.10 0.00 0.00 66.02 63.50 3mgo s SER 13 CO -0.10 -0.78 0.25 -0.13 0.98 0.00 0.00 173.24 173.46 3mgo s ARG 14 N -2.52 1.27 0.08 4.02 0.52 -1.26 -4.10 118.95 116.95 3mgo s ARG 14 Ca 0.60 -2.02 -0.36 0.00 -0.52 0.00 0.00 55.73 53.44 3mgo s ARG 14 Cb -0.29 -2.27 -0.15 0.00 0.52 0.00 0.00 34.95 32.76 3mgo s ARG 14 CO 0.35 -1.18 1.49 -2.30 0.02 0.00 0.00 175.30 173.68 3mgo n PRO 15 N 3.49 1.57 -0.85 3.54 -0.02 -1.26 -1.33 135.00 140.14 3mgo n PRO 15 Ca 0.10 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3mgo n PRO 15 Cb 0.35 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.07 0.61 0.44 -1.23 0.00 -1.26 -4.81 105.19 102.01 3mgo n GLY 16 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.95 1.55 0.00 1.61 1.74 -0.44 -5.10 116.66 114.07 3mgo n ARG 17 Ca 0.00 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 3mgo n ARG 17 Cb 0.02 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.22 -0.24 3.77 -0.13 0.00 -1.24 -4.93 105.19 101.20 3mgo n GLY 18 Ca 0.19 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 3.81 0.54 1.61 0.41 -1.26 -4.59 118.70 119.22 3mgo s GLU 19 Ca 0.00 2.14 -0.21 0.00 -0.41 0.00 0.00 54.97 56.49 3mgo s GLU 19 Cb 0.00 -2.64 -0.05 0.00 -1.78 0.00 0.00 34.13 29.67 3mgo s GLU 19 CO 0.00 -0.62 1.30 -1.25 -0.49 0.00 0.00 175.26 174.19 3mgo s PRO 20 N -2.41 3.21 0.21 0.39 0.04 -1.26 -4.74 135.00 130.44 3mgo s PRO 20 Ca 0.60 2.08 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 3mgo s PRO 20 Cb -0.38 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 3mgo s PRO 20 CO 0.48 -1.09 1.28 0.50 0.04 0.00 0.00 177.00 178.21 3mgo s ARG 21 N -2.95 4.41 -0.08 4.56 6.06 -0.23 -4.85 118.95 125.88 3mgo s ARG 21 Ca 0.71 2.02 0.01 0.00 -2.50 0.00 0.00 55.73 55.97 3mgo s ARG 21 Cb -0.37 -3.19 0.02 0.00 0.06 0.00 0.00 34.95 31.47 3mgo s ARG 21 CO 0.43 -0.20 -0.09 0.12 -2.50 0.00 0.00 175.30 173.06 3mgo s PHE 22 N -0.05 1.32 -0.08 5.12 5.36 -1.26 -1.09 117.98 127.30 3mgo s PHE 22 Ca 0.55 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 3mgo s PHE 22 Cb -0.36 -1.06 0.02 0.00 -0.34 0.00 0.00 43.02 41.28 3mgo s PHE 22 CO 0.39 -0.37 -0.08 0.42 -1.46 0.00 0.00 175.22 174.13 3mgo s ILE 23 N 1.20 0.94 -0.04 3.12 1.01 -0.36 -1.33 121.20 125.74 3mgo s ILE 23 Ca -0.05 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3mgo s ILE 23 Cb -0.14 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 3mgo s ILE 23 CO -0.02 0.33 -0.22 0.00 0.00 0.00 0.00 174.94 175.03 3mgo s ALA 24 N 1.29 1.89 0.00 9.38 0.00 -0.39 -1.25 121.76 132.68 3mgo s ALA 24 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3mgo s ALA 24 Cb -0.14 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 3mgo s ALA 24 CO -0.03 0.41 -0.01 0.14 0.00 0.00 0.00 175.76 176.27 3mgo s VAL 25 N -0.28 0.05 -0.01 0.00 -7.23 -0.70 -0.41 120.40 111.82 3mgo s VAL 25 Ca 0.02 -0.16 0.03 0.00 -1.81 0.00 0.00 61.98 60.07 3mgo s VAL 25 Cb -0.11 -0.07 -0.03 0.00 0.56 0.00 0.00 36.38 36.73 3mgo s VAL 25 CO 0.01 -0.07 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.82 3mgo s GLY 26 N -0.23 1.70 -0.01 2.32 0.00 -0.91 -0.79 107.32 109.39 3mgo s GLY 26 Ca -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.72 3mgo s GLY 26 CO -0.00 -0.86 -0.12 -0.19 0.00 0.00 0.00 173.10 171.92 3mgo s TYR 27 N -0.94 1.10 -0.32 1.90 1.51 0.69 -1.02 117.35 120.28 3mgo s TYR 27 Ca 0.16 -0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 3mgo s TYR 27 Cb -0.11 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.05 3mgo s TYR 27 CO 0.06 -0.03 0.08 0.08 -1.11 0.00 0.00 175.55 174.63 3mgo s VAL 28 N -0.23 3.75 0.00 0.71 1.01 0.41 -1.23 120.40 124.81 3mgo s VAL 28 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3mgo s VAL 28 Cb -0.05 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3mgo s VAL 28 CO -0.00 -0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.50 3mgo n ASP 29 N 4.81 0.00 -2.16 3.32 8.00 0.79 -1.52 116.55 129.80 3mgo n ASP 29 Ca -0.13 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.17 3mgo n ASP 29 Cb 0.46 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.76 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 5.77 3.97 -3.94 -2.24 8.00 -1.26 -4.86 116.55 121.99 3mgo n ASP 30 Ca 0.00 -3.49 -0.28 0.00 0.71 0.00 0.00 54.79 51.73 3mgo n ASP 30 Cb 0.00 -0.81 -0.17 0.00 -0.02 0.00 0.00 41.12 40.12 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 -3.15 1.26 0.20 -3.53 2.01 -0.58 -5.02 115.64 106.82 3mgo s THR 31 Ca 0.55 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3mgo s THR 31 Cb 0.46 -1.31 -0.08 0.00 0.01 0.00 0.00 72.50 71.58 3mgo s THR 31 CO 0.11 0.28 1.10 -1.58 -0.69 0.00 0.00 174.62 173.84 3mgo s GLN 32 N 1.59 4.61 0.00 4.92 0.74 -1.26 -0.45 119.66 129.81 3mgo s GLN 32 Ca 0.03 1.73 0.00 0.00 0.05 0.00 0.00 55.36 57.17 3mgo s GLN 32 Cb -0.14 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.71 3mgo s GLN 32 CO -0.09 0.11 0.00 1.97 -0.55 0.00 0.00 175.29 176.73 3mgo n PHE 33 N 2.14 0.00 -4.09 1.67 -1.74 -0.19 -4.01 117.46 111.24 3mgo n PHE 33 Ca 0.02 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.80 3mgo n PHE 33 Cb 0.46 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.38 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 -1.74 0.02 -0.02 1.97 -7.23 -1.24 -0.00 120.40 112.16 3mgo s VAL 34 Ca 0.00 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 3mgo s VAL 34 Cb 0.00 -2.24 0.10 0.00 0.56 0.00 0.00 36.38 34.79 3mgo s VAL 34 CO 0.00 -0.10 0.84 0.00 -0.31 0.00 0.00 175.10 175.53 3mgo s ARG 35 N -4.07 0.87 -0.06 4.82 1.04 -0.76 -2.15 118.95 118.64 3mgo s ARG 35 Ca 0.29 -0.15 -0.02 0.00 -1.04 0.00 0.00 55.73 54.81 3mgo s ARG 35 Cb 0.04 0.40 0.04 0.00 -2.04 0.00 0.00 34.95 33.39 3mgo s ARG 35 CO 0.08 -0.34 0.11 0.12 -0.04 0.00 0.00 175.30 175.22 3mgo s PHE 36 N -2.49 -0.08 -0.24 5.89 5.36 0.45 -0.78 117.98 126.09 3mgo s PHE 36 Ca 0.01 0.40 0.02 0.00 -0.96 0.00 0.00 56.93 56.40 3mgo s PHE 36 Cb -0.01 -0.24 0.05 0.00 -0.34 0.00 0.00 43.02 42.48 3mgo s PHE 36 CO -0.05 -0.18 -0.13 0.34 -1.46 0.00 0.00 175.22 173.74 3mgo s ASP 37 N 1.64 4.04 0.56 6.13 2.15 -1.26 -1.27 116.67 128.66 3mgo s ASP 37 Ca -0.03 -1.18 0.28 0.00 0.43 0.00 0.00 52.55 52.04 3mgo s ASP 37 Cb -0.12 -1.49 1.48 0.00 -0.30 0.00 0.00 42.92 42.48 3mgo s ASP 37 CO -0.05 -0.15 1.97 0.77 -0.17 0.00 0.00 175.17 177.55 3mgo h SER 38 N 7.83 0.00 -0.40 -0.34 4.64 -1.60 0.13 113.55 123.81 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 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3mgo h SER 38 CO 0.50 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.93 3mgo n ASP 39 N -4.05 2.45 -4.90 4.97 9.92 -1.26 -4.90 116.55 118.79 3mgo n ASP 39 Ca 0.09 -1.94 -0.29 0.00 -0.53 0.00 0.00 54.79 52.12 3mgo n ASP 39 Cb 0.61 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.79 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 -1.47 3.55 0.26 2.24 0.00 0.46 -5.01 121.76 121.79 3mgo s ALA 40 Ca 0.33 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.88 3mgo s ALA 40 Cb 0.17 -2.41 0.33 0.00 0.00 0.00 0.00 23.12 21.22 3mgo s ALA 40 CO 0.24 0.16 1.61 0.00 0.00 0.00 0.00 175.76 177.77 3mgo h ALA 41 N 1.53 0.95 -0.25 0.00 0.00 -1.90 -3.27 119.26 116.33 3mgo h ALA 41 Ca -0.48 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 53.81 3mgo h ALA 41 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3mgo h ALA 41 CO 0.65 0.70 -0.31 0.66 0.00 0.00 0.00 179.25 180.95 3mgo h SER 42 N 0.14 0.53 -5.86 0.00 4.64 -1.95 -3.46 113.55 107.59 3mgo h SER 42 Ca -0.00 -0.20 -0.43 0.00 -0.47 0.00 0.00 61.79 60.69 3mgo h SER 42 Cb 1.02 -0.15 0.07 0.00 -0.31 0.00 0.00 62.40 63.03 3mgo h SER 42 CO 0.08 0.81 -0.70 0.00 -0.87 0.00 0.00 176.83 176.16 3mgo n GLN 43 N -4.08 -6.74 -4.15 4.77 1.13 -1.23 -4.99 117.38 102.09 3mgo n GLN 43 Ca -0.01 0.75 -0.11 0.00 -1.94 0.00 0.00 57.00 55.69 3mgo n GLN 43 Cb 0.45 -5.72 -0.10 0.00 0.11 0.00 0.00 30.24 24.97 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 -6.36 0.78 0.09 -1.09 0.52 -1.26 -5.04 118.95 106.59 3mgo s ARG 44 Ca 0.58 -1.22 -0.31 0.00 -0.52 0.00 0.00 55.73 54.27 3mgo s ARG 44 Cb -0.27 -0.24 -0.06 0.00 0.52 0.00 0.00 34.95 34.90 3mgo s ARG 44 CO 0.72 -0.00 1.24 1.41 0.02 0.00 0.00 175.30 178.69 3mgo s MET 45 N -3.37 4.41 0.11 3.54 -2.45 -1.26 -4.62 119.30 115.66 3mgo s MET 45 Ca 0.08 1.85 0.09 0.00 -1.25 0.00 0.00 55.69 56.45 3mgo s MET 45 Cb 0.02 -3.31 -0.04 0.00 1.25 0.00 0.00 34.83 32.75 3mgo s MET 45 CO -0.04 -0.28 -0.18 -1.21 1.05 0.00 0.00 175.02 174.36 3mgo s GLU 46 N 0.92 1.79 0.39 4.11 2.02 0.04 -4.91 118.70 123.05 3mgo s GLU 46 Ca 0.59 -1.17 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 3mgo s GLU 46 Cb -0.31 -2.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.72 3mgo s GLU 46 CO 0.30 0.48 1.08 -1.25 0.02 0.00 0.00 175.26 175.90 3mgo s PRO 47 N -2.09 4.18 0.00 0.39 0.04 -1.26 -1.83 135.00 134.42 3mgo s PRO 47 Ca 0.18 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3mgo s PRO 47 Cb -0.11 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3mgo s PRO 47 CO 0.10 -0.15 0.39 0.54 0.04 0.00 0.00 177.00 177.92 3mgo n ARG 48 N 0.07 0.26 -4.12 4.56 5.12 1.00 -4.88 116.66 118.67 3mgo n ARG 48 Ca 0.04 -0.47 -0.16 0.00 -1.93 0.00 0.00 57.85 55.33 3mgo n ARG 48 Cb 0.48 -0.68 -0.15 0.00 -1.16 0.00 0.00 32.46 30.96 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 0.41 0.55 7.54 0.00 -1.21 -4.67 121.76 124.22 3mgo s ALA 49 Ca 0.00 -0.17 0.24 0.00 0.00 0.00 0.00 51.96 52.03 3mgo s ALA 49 Cb 0.00 -0.13 1.48 0.00 0.00 0.00 0.00 23.12 24.47 3mgo s ALA 49 CO 0.00 0.08 2.09 -1.00 0.00 0.00 0.00 175.76 176.93 3mgo h PRO 50 N 6.18 0.00 -0.00 0.00 0.13 -1.94 -2.41 132.00 133.96 3mgo h PRO 50 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 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 0.50 0.00 -0.06 -2.67 -0.23 0.00 0.00 178.00 175.54 3mgo n TRP 51 N -4.18 0.00 0.33 1.56 4.27 -1.26 -3.07 117.44 115.09 3mgo n TRP 51 Ca 0.02 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.73 3mgo n TRP 51 Cb 0.33 -0.20 -0.14 0.00 -1.36 0.00 0.00 31.31 29.93 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 -1.08 0.00 0.28 -1.67 0.13 -0.91 -4.31 119.36 111.81 3mgo n ILE 52 Ca 0.15 -0.31 0.17 0.00 -1.10 0.00 0.00 62.75 61.66 3mgo n ILE 52 Cb 0.25 0.38 0.84 0.00 -0.84 0.00 0.00 39.64 40.27 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 -1.60 -1.64 114.58 125.93 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 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 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 -6.36 2.33 3.07 -1.76 -3.44 115.11 108.95 3mgo h GLN 54 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 3mgo h GLN 54 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.71 3mgo h GLN 54 CO 0.00 0.00 1.03 -1.21 0.09 0.00 0.00 178.83 178.74 3mgo s GLU 55 N -3.21 4.20 1.23 0.06 0.41 -0.62 -4.99 118.70 115.78 3mgo s GLU 55 Ca 0.08 2.25 -0.20 0.00 -0.41 0.00 0.00 54.97 56.69 3mgo s GLU 55 Cb 0.11 -3.79 0.31 0.00 -1.78 0.00 0.00 34.13 28.97 3mgo s GLU 55 CO 0.53 -0.78 0.70 0.41 -0.49 0.00 0.00 175.26 175.63 3mgo n GLY 56 N 4.05 -3.59 0.22 -1.39 0.00 -1.26 -4.75 105.19 98.47 3mgo n GLY 56 Ca 0.16 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -0.65 1.61 0.11 -1.97 -2.70 132.00 128.40 3mgo h PRO 57 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 3mgo h PRO 57 Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3mgo h PRO 57 CO 0.19 0.21 0.28 1.49 -0.21 0.00 0.00 178.00 179.97 3mgo h GLU 58 N 0.00 0.95 -0.29 1.05 4.22 -1.99 0.24 114.58 118.76 3mgo h GLU 58 Ca -0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 59.36 59.27 3mgo h GLU 58 Cb 0.42 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3mgo h GLU 58 CO 0.03 0.78 0.15 -0.92 -2.18 0.00 0.00 179.01 176.87 3mgo h TYR 59 N 0.90 0.41 -0.24 0.92 3.20 -1.80 -1.31 116.97 119.05 3mgo h TYR 59 Ca 0.22 -0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.87 3mgo h TYR 59 Cb 0.17 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3mgo h TYR 59 CO 0.01 0.36 -0.63 -1.49 -1.64 0.00 0.00 178.16 174.76 3mgo h TRP 60 N 0.34 1.10 -0.17 -3.82 4.06 -1.39 0.06 115.95 116.13 3mgo h TRP 60 Ca 0.10 -0.43 0.00 0.00 2.06 0.00 0.00 58.89 60.63 3mgo h TRP 60 Cb 0.10 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 3mgo h TRP 60 CO -0.02 1.26 0.11 -0.44 -3.56 0.00 0.00 178.44 175.79 3mgo h ASP 61 N 0.63 0.20 0.49 -3.49 5.19 -0.55 -0.04 116.42 118.85 3mgo h ASP 61 Ca -0.01 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 3mgo h ASP 61 Cb 1.25 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3mgo h ASP 61 CO 0.14 0.16 -0.26 1.23 -3.12 0.00 0.00 179.24 177.39 3mgo h GLY 62 N 0.22 -0.72 1.37 2.75 0.00 -1.13 -1.29 103.07 104.28 3mgo h GLY 62 Ca 0.06 0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.69 3mgo h GLY 62 CO -0.01 -0.26 0.39 0.83 0.00 0.00 0.00 176.54 177.49 3mgo h GLU 63 N -0.68 0.74 -0.61 4.80 4.39 -0.97 -1.69 114.58 120.56 3mgo h GLU 63 Ca -0.06 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3mgo h GLU 63 Cb 0.54 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3mgo h GLU 63 CO 0.09 0.49 0.30 1.15 -1.16 0.00 0.00 179.01 179.88 3mgo h THR 64 N 0.76 1.21 -0.31 1.13 2.02 -0.71 -1.55 112.91 115.46 3mgo h THR 64 Ca 0.23 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 3mgo h THR 64 Cb -0.02 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3mgo h THR 64 CO -0.05 0.24 0.03 0.03 0.37 0.00 0.00 175.52 176.13 3mgo h ARG 65 N 0.83 0.52 -0.40 6.66 3.08 -0.39 -2.33 114.38 122.35 3mgo h ARG 65 Ca 0.21 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3mgo h ARG 65 Cb 0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3mgo h ARG 65 CO -0.03 0.64 -0.21 0.87 -1.07 0.00 0.00 179.97 180.17 3mgo h LYS 66 N 0.33 0.80 0.00 0.04 1.57 -1.25 -1.89 116.57 116.17 3mgo h LYS 66 Ca 0.09 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 3mgo h LYS 66 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3mgo h LYS 66 CO 0.01 0.94 -0.58 -0.24 -0.57 0.00 0.00 179.45 179.02 3mgo h VAL 67 N 0.70 1.39 -0.51 0.50 3.04 -1.27 0.26 116.25 120.35 3mgo h VAL 67 Ca 0.10 -1.99 -0.13 0.00 -1.01 0.00 0.00 66.70 63.67 3mgo h VAL 67 Cb 0.73 2.08 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 3mgo h VAL 67 CO 0.06 0.56 -0.17 0.11 -1.01 0.00 0.00 177.57 177.12 3mgo h LYS 68 N 0.00 1.01 -0.44 4.17 1.57 -1.17 -0.44 116.57 121.28 3mgo h LYS 68 Ca -0.01 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.30 3mgo h LYS 68 Cb 1.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3mgo h LYS 68 CO 0.07 1.09 0.03 0.00 -0.57 0.00 0.00 179.45 180.08 3mgo h ALA 69 N 0.91 0.59 -0.52 3.86 0.00 -0.95 -1.04 119.26 122.11 3mgo h ALA 69 Ca 0.12 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3mgo h ALA 69 Cb 0.75 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3mgo h ALA 69 CO 0.06 0.35 0.09 0.45 0.00 0.00 0.00 179.25 180.19 3mgo h HIS 70 N 0.61 0.13 -0.04 0.00 3.86 -0.83 -1.40 115.15 117.48 3mgo h HIS 70 Ca 0.13 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3mgo h HIS 70 Cb 0.44 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3mgo h HIS 70 CO 0.03 -0.03 -0.04 1.03 0.86 0.00 0.00 177.93 179.78 3mgo h SER 71 N 0.22 -0.12 -0.47 2.45 0.87 -0.57 -2.16 113.55 113.76 3mgo h SER 71 Ca 0.26 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3mgo h SER 71 Cb 0.37 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3mgo h SER 71 CO -0.36 -0.06 0.16 1.56 -0.53 0.00 0.00 176.83 177.60 3mgo h GLN 72 N -0.06 0.78 -0.69 2.24 1.08 -0.91 -1.83 115.11 115.72 3mgo h GLN 72 Ca 0.03 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3mgo h GLN 72 Cb 0.10 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3mgo h GLN 72 CO -0.07 0.69 0.35 1.15 -0.95 0.00 0.00 178.83 179.99 3mgo h THR 73 N 0.76 1.23 -0.17 -0.54 2.02 -0.95 -2.71 112.91 112.55 3mgo h THR 73 Ca 0.17 -0.62 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 3mgo h THR 73 Cb 0.24 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3mgo h THR 73 CO -0.01 0.26 -0.42 0.45 0.37 0.00 0.00 175.52 176.17 3mgo h HIS 74 N 0.96 0.48 -0.86 3.16 3.86 -0.88 -1.14 115.15 120.73 3mgo h HIS 74 Ca 0.24 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3mgo h HIS 74 Cb 0.10 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 3mgo h HIS 74 CO 0.00 0.76 0.47 -0.09 0.86 0.00 0.00 177.93 179.93 3mgo h ARG 75 N 0.33 1.20 -0.24 2.45 2.43 -1.12 -1.69 114.38 117.75 3mgo h ARG 75 Ca 0.03 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 3mgo h ARG 75 Cb 0.88 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3mgo h ARG 75 CO 0.07 0.88 -0.33 0.28 -1.51 0.00 0.00 179.97 179.36 3mgo h VAL 76 N 1.20 1.32 -0.99 0.20 2.07 -1.26 -3.21 116.25 115.58 3mgo h VAL 76 Ca 0.30 -1.53 0.13 0.00 0.82 0.00 0.00 66.70 66.42 3mgo h VAL 76 Cb 0.03 1.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 3mgo h VAL 76 CO -0.05 0.48 0.62 0.44 0.02 0.00 0.00 177.57 179.09 3mgo h ASP 77 N 0.35 0.88 -0.94 0.57 3.32 -0.77 -0.89 116.42 118.94 3mgo h ASP 77 Ca 0.02 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.19 3mgo h ASP 77 Cb 0.92 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 3mgo h ASP 77 CO 0.08 0.45 0.61 -0.07 -1.72 0.00 0.00 179.24 178.59 3mgo h LEU 78 N 0.94 0.97 -0.11 1.55 3.38 -1.32 0.22 115.31 120.93 3mgo h LEU 78 Ca 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.42 3mgo h LEU 78 Cb 0.56 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3mgo h LEU 78 CO -0.27 0.63 -0.17 1.23 0.09 0.00 0.00 178.44 179.95 3mgo h GLY 79 N 1.10 0.33 0.93 0.83 0.00 -1.27 -2.05 103.07 102.94 3mgo h GLY 79 Ca 0.40 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.38 3mgo h GLY 79 CO -0.15 0.34 0.53 -0.84 0.00 0.00 0.00 176.54 176.42 3mgo h THR 80 N -0.12 1.16 -0.31 4.70 2.02 -0.94 -1.89 112.91 117.54 3mgo h THR 80 Ca 0.01 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 3mgo h THR 80 Cb 0.73 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3mgo h THR 80 CO 0.04 0.19 -0.34 -0.07 0.37 0.00 0.00 175.52 175.71 3mgo h LEU 81 N 1.06 0.71 -2.02 2.58 3.38 -1.00 -0.31 115.31 119.72 3mgo h LEU 81 Ca 0.32 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3mgo h LEU 81 Cb -0.05 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3mgo h LEU 81 CO -0.09 0.99 -0.06 -0.09 0.09 0.00 0.00 178.44 179.28 3mgo h ARG 82 N 0.57 0.00 0.11 1.13 2.43 -0.79 -2.33 114.38 115.50 3mgo h ARG 82 Ca 0.06 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.05 3mgo h ARG 82 Cb 0.86 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3mgo h ARG 82 CO 0.07 0.06 -0.86 0.78 -1.51 0.00 0.00 179.97 178.51 3mgo h GLY 83 N 0.24 0.27 0.28 2.80 0.00 -0.80 -0.77 103.07 105.09 3mgo h GLY 83 Ca -0.00 -0.69 0.17 0.00 0.00 0.00 0.00 47.33 46.81 3mgo h GLY 83 CO 0.01 0.61 0.61 -0.97 0.00 0.00 0.00 176.54 176.80 3mgo h TYR 84 N -0.46 1.01 -0.54 5.60 0.05 -0.74 -2.00 116.97 119.88 3mgo h TYR 84 Ca -0.17 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3mgo h TYR 84 Cb 1.57 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 39.00 3mgo h TYR 84 CO 0.19 0.29 0.00 0.66 -1.05 0.00 0.00 178.16 178.25 3mgo n TYR 85 N -4.68 0.99 -3.81 4.88 4.01 -0.91 -4.90 117.16 112.75 3mgo n TYR 85 Ca 0.21 -0.58 -0.27 0.00 -0.16 0.00 0.00 57.90 57.11 3mgo n TYR 85 Cb 0.52 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.92 -2.17 -4.80 7.72 5.15 -0.75 -4.97 115.26 116.36 3mgo n ASN 86 Ca 0.21 -0.98 -0.27 0.00 -0.60 0.00 0.00 54.58 52.94 3mgo n ASN 86 Cb 0.68 -3.34 -0.05 0.00 -0.53 0.00 0.00 39.78 36.53 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 -6.25 2.91 1.17 1.20 -0.21 -0.31 -5.05 119.66 113.11 3mgo s GLN 87 Ca 0.16 -0.85 -0.17 0.00 0.02 0.00 0.00 55.36 54.52 3mgo s GLN 87 Cb -0.06 -2.66 0.27 0.00 1.00 0.00 0.00 33.01 31.56 3mgo s GLN 87 CO 0.87 0.49 1.08 -1.54 -2.12 0.00 0.00 175.29 174.07 3mgo s SER 88 N -3.03 1.17 0.00 5.90 1.04 -1.26 -4.81 113.70 112.71 3mgo s SER 88 Ca 0.31 0.85 0.24 0.00 0.48 0.00 0.00 55.95 57.83 3mgo s SER 88 Cb -0.10 -1.25 0.32 0.00 0.10 0.00 0.00 66.02 65.09 3mgo s SER 88 CO 0.23 -3.99 1.33 -0.62 0.98 0.00 0.00 173.24 171.17 3mgo n GLU 89 N -4.70 2.25 0.03 4.02 1.02 -1.26 -4.23 120.64 117.78 3mgo n GLU 89 Ca 0.10 -1.83 0.11 0.00 -0.02 0.00 0.00 57.16 55.53 3mgo n GLU 89 Cb 0.59 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 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 1.20 3.17 -2.07 0.62 0.00 -1.26 -4.65 120.51 117.53 3mgo n ALA 90 Ca 0.15 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 3mgo n ALA 90 Cb 0.57 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.97 2.62 -0.06 0.00 0.00 -1.26 -4.69 107.32 99.96 3mgo s GLY 91 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.73 3mgo s GLY 91 CO 0.83 0.55 0.49 -0.45 0.00 0.00 0.00 173.10 174.52 3mgo s SER 92 N -1.68 6.78 0.18 1.64 0.15 -1.26 -4.65 113.70 114.87 3mgo s SER 92 Ca 0.44 0.93 0.05 0.00 0.70 0.00 0.00 55.95 58.07 3mgo s SER 92 Cb -0.16 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 3mgo s SER 92 CO 0.21 0.10 -0.08 -1.00 1.20 0.00 0.00 173.24 173.66 3mgo s HIS 93 N 0.05 1.45 -0.07 3.44 3.76 -1.26 -4.96 115.29 117.70 3mgo s HIS 93 Ca 0.27 -0.76 0.04 0.00 -0.15 0.00 0.00 55.06 54.45 3mgo s HIS 93 Cb -0.16 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 32.77 3mgo s HIS 93 CO 0.13 0.11 -0.19 0.99 -0.85 0.00 0.00 174.74 174.93 3mgo s THR 94 N -3.27 1.63 -0.10 1.30 2.01 -1.26 -1.38 115.64 114.57 3mgo s THR 94 Ca 0.21 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.44 3mgo s THR 94 Cb 0.03 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 3mgo s THR 94 CO 0.04 0.46 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.59 3mgo s VAL 95 N 0.27 2.83 -0.03 3.82 1.01 0.42 -0.53 120.40 128.18 3mgo s VAL 95 Ca -0.11 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3mgo s VAL 95 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3mgo s VAL 95 CO 0.05 0.55 -0.17 -1.10 0.00 0.00 0.00 175.10 174.43 3mgo s GLN 96 N 0.01 1.62 0.01 2.72 -0.21 -0.65 -0.33 119.66 122.84 3mgo s GLN 96 Ca -0.05 -0.60 0.05 0.00 0.02 0.00 0.00 55.36 54.78 3mgo s GLN 96 Cb -0.15 -1.46 -0.02 0.00 1.00 0.00 0.00 33.01 32.39 3mgo s GLN 96 CO 0.04 0.28 -0.15 0.50 -2.12 0.00 0.00 175.29 173.84 3mgo s ARG 97 N -0.10 1.11 -0.03 2.91 3.52 0.01 -0.93 118.95 125.44 3mgo s ARG 97 Ca -0.00 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 3mgo s ARG 97 Cb -0.10 -1.10 0.03 0.00 -1.56 0.00 0.00 34.95 32.21 3mgo s ARG 97 CO 0.01 0.29 0.07 1.41 -0.81 0.00 0.00 175.30 176.27 3mgo s MET 98 N -0.74 0.02 0.10 5.12 -2.45 -0.56 -0.14 119.30 120.65 3mgo s MET 98 Ca 0.04 0.21 -0.07 0.00 -1.25 0.00 0.00 55.69 54.62 3mgo s MET 98 Cb -0.07 -0.15 -0.01 0.00 1.25 0.00 0.00 34.83 35.85 3mgo s MET 98 CO 0.00 -0.12 0.17 1.52 1.05 0.00 0.00 175.02 177.64 3mgo s TYR 99 N 0.82 0.31 -4.31 4.11 -0.85 -1.09 -0.29 117.35 116.06 3mgo s TYR 99 Ca -0.07 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 3mgo s TYR 99 Cb -0.09 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.11 3mgo s TYR 99 CO -0.03 -0.55 0.00 0.41 -1.52 0.00 0.00 175.55 173.86 3mgo n GLY 100 N -0.07 -1.97 2.99 5.49 0.00 -1.07 -1.17 105.19 109.40 3mgo n GLY 100 Ca -0.13 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.33 4.94 0.05 0.00 1.01 0.12 -1.45 116.67 120.01 3mgo s ASP 102 Ca -0.13 -0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.13 3mgo s ASP 102 Cb -0.09 -1.25 -0.02 0.00 1.01 0.00 0.00 42.92 42.56 3mgo s ASP 102 CO -0.01 0.29 -0.11 0.68 0.21 0.00 0.00 175.17 176.23 3mgo s VAL 103 N -1.03 0.88 0.00 -1.27 -7.23 0.36 -0.41 120.40 111.70 3mgo s VAL 103 Ca 0.18 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3mgo s VAL 103 Cb -0.11 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.97 3mgo s VAL 103 CO 0.08 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3mgo n GLY 104 N 1.64 -1.51 0.24 2.32 0.00 -0.84 -1.06 105.19 105.97 3mgo n GLY 104 Ca -0.20 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.29 0.00 -0.14 1.61 0.02 -1.91 0.01 113.55 112.84 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 0.12 0.00 -0.90 -1.14 0.00 0.00 176.83 174.91 3mgo n ASP 106 N -4.27 0.76 -1.47 3.07 5.68 -1.26 -4.88 116.55 114.19 3mgo n ASP 106 Ca -0.03 -1.98 -0.19 0.00 -0.50 0.00 0.00 54.79 52.10 3mgo n ASP 106 Cb 0.20 -0.09 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 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 -0.09 -0.00 -3.65 2.11 7.02 -0.01 -4.97 117.44 117.85 3mgo n TRP 107 Ca 0.05 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.18 3mgo n TRP 107 Cb 0.12 -3.23 -0.05 0.00 -2.42 0.00 0.00 31.31 25.73 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 -3.62 3.69 0.33 -0.99 0.52 -1.26 -4.80 118.95 112.82 3mgo s ARG 108 Ca 0.00 0.08 -0.27 0.00 -0.52 0.00 0.00 55.73 55.03 3mgo s ARG 108 Cb 0.00 -3.05 -0.13 0.00 0.52 0.00 0.00 34.95 32.29 3mgo s ARG 108 CO 0.00 0.61 0.93 0.34 0.02 0.00 0.00 175.30 177.19 3mgo n PHE 109 N 1.06 0.94 0.00 -0.53 -0.00 -1.26 -1.99 117.46 115.68 3mgo n PHE 109 Ca -0.10 0.68 0.00 0.00 -0.00 0.00 0.00 57.45 58.03 3mgo n PHE 109 Cb 0.53 -2.20 0.00 0.00 -0.00 0.00 0.00 39.48 37.81 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 1.13 0.20 -3.64 -2.13 0.00 0.45 -4.78 117.00 108.23 3mgo n LEU 110 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.06 3mgo n LEU 110 Cb 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.70 3mgo n LEU 110 CO 0.59 0.03 1.02 -0.60 0.00 0.00 0.00 177.39 178.43 3mgo s ARG 111 N -1.36 0.23 0.09 1.96 3.52 -1.14 -4.96 118.95 117.28 3mgo s ARG 111 Ca 0.00 0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 3mgo s ARG 111 Cb 0.00 0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.47 3mgo s ARG 111 CO 0.00 -0.04 -0.18 0.20 -0.81 0.00 0.00 175.30 174.47 3mgo s GLY 112 N -0.24 1.06 0.12 8.12 0.00 -1.26 0.10 107.32 115.22 3mgo s GLY 112 Ca 0.06 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.69 3mgo s GLY 112 CO -0.10 -1.15 -0.12 -0.19 0.00 0.00 0.00 173.10 171.53 3mgo s TYR 113 N -1.25 1.30 -0.29 1.90 1.51 0.16 -4.83 117.35 115.83 3mgo s TYR 113 Ca 0.03 -0.62 -0.04 0.00 -1.01 0.00 0.00 57.07 55.43 3mgo s TYR 113 Cb -0.10 -0.68 0.19 0.00 -0.11 0.00 0.00 41.96 41.27 3mgo s TYR 113 CO 0.03 0.10 0.84 -1.58 -1.11 0.00 0.00 175.55 173.84 3mgo s HIS 114 N -2.44 -1.09 0.05 2.71 2.46 -1.25 -2.58 115.29 113.15 3mgo s HIS 114 Ca 0.10 0.69 0.04 0.00 0.47 0.00 0.00 55.06 56.36 3mgo s HIS 114 Cb -0.03 0.21 -0.02 0.00 -0.13 0.00 0.00 32.58 32.60 3mgo s HIS 114 CO 0.02 -0.63 -0.12 -0.65 -2.47 0.00 0.00 174.74 170.89 3mgo s GLN 115 N 2.90 0.77 0.03 2.88 -0.21 0.61 -1.34 119.66 125.30 3mgo s GLN 115 Ca 0.18 -0.81 0.07 0.00 0.02 0.00 0.00 55.36 54.83 3mgo s GLN 115 Cb -0.06 -0.73 -0.02 0.00 1.00 0.00 0.00 33.01 33.20 3mgo s GLN 115 CO -0.23 0.17 -0.21 0.71 -2.12 0.00 0.00 175.29 173.60 3mgo s TYR 116 N -1.10 1.86 0.03 0.91 1.51 0.14 -1.50 117.35 119.19 3mgo s TYR 116 Ca -0.02 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 3mgo s TYR 116 Cb -0.09 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 3mgo s TYR 116 CO 0.01 0.07 -0.11 0.00 -1.11 0.00 0.00 175.55 174.42 3mgo s ALA 117 N -0.75 0.88 -0.19 3.71 0.00 -0.11 -0.83 121.76 124.47 3mgo s ALA 117 Ca 0.08 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3mgo s ALA 117 Cb -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3mgo s ALA 117 CO 0.01 0.14 -0.16 -0.47 0.00 0.00 0.00 175.76 175.29 3mgo s TYR 118 N -0.81 2.64 -1.42 0.00 5.04 0.25 -1.63 117.35 121.41 3mgo s TYR 118 Ca -0.01 -1.62 -0.10 0.00 -2.44 0.00 0.00 57.07 52.90 3mgo s TYR 118 Cb -0.07 -1.80 0.04 0.00 0.35 0.00 0.00 41.96 40.48 3mgo s TYR 118 CO 0.01 -0.77 1.04 -0.25 -1.34 0.00 0.00 175.55 174.24 3mgo n ASP 119 N 4.64 -4.95 0.00 4.32 8.00 0.31 -2.49 116.55 126.38 3mgo n ASP 119 Ca -0.18 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.64 3mgo n ASP 119 Cb 0.48 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 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 -1.78 0.70 3.22 0.44 0.00 -1.26 -5.02 105.19 101.50 3mgo n GLY 120 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.17 1.60 -0.07 1.61 1.02 -1.04 -5.09 119.74 117.59 3mgo s LYS 121 Ca 0.00 -0.77 -0.39 0.00 0.02 0.00 0.00 55.97 54.83 3mgo s LYS 121 Cb 0.00 -1.58 -0.18 0.00 -0.52 0.00 0.00 37.83 35.56 3mgo s LYS 121 CO 0.00 0.43 1.37 -0.25 -0.92 0.00 0.00 175.35 175.97 3mgo n ASP 122 N 2.44 1.26 -0.02 2.83 8.00 -1.26 -0.59 116.55 129.21 3mgo n ASP 122 Ca -0.16 1.13 -0.05 0.00 0.71 0.00 0.00 54.79 56.43 3mgo n ASP 122 Cb 0.53 -1.07 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 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 2.91 0.00 -3.82 1.24 9.36 -0.01 -4.74 117.16 122.10 3mgo n TYR 123 Ca 0.22 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.32 3mgo n TYR 123 Cb 0.12 -0.25 -0.11 0.00 -0.63 0.00 0.00 39.34 38.48 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 -2.43 0.04 -0.13 2.97 2.07 -1.11 -4.27 121.20 118.35 3mgo s ILE 124 Ca -0.14 -0.31 -0.08 0.00 -1.41 0.00 0.00 60.65 58.71 3mgo s ILE 124 Cb 0.02 -0.40 0.05 0.00 0.13 0.00 0.00 42.46 42.26 3mgo s ILE 124 CO 0.21 -0.17 0.31 0.00 -1.91 0.00 0.00 174.94 173.37 3mgo s ALA 125 N -0.63 -0.75 0.17 1.50 0.00 -1.09 0.23 121.76 121.18 3mgo s ALA 125 Ca -0.07 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 3mgo s ALA 125 Cb -0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.29 3mgo s ALA 125 CO 0.01 -0.21 1.41 -1.17 0.00 0.00 0.00 175.76 175.81 3mgo s LEU 126 N 1.06 4.38 0.88 0.00 2.96 -0.45 -0.69 118.68 126.81 3mgo s LEU 126 Ca -0.07 2.45 -0.12 0.00 -0.22 0.00 0.00 54.13 56.17 3mgo s LEU 126 Cb -0.08 -3.60 0.12 0.00 0.50 0.00 0.00 46.19 43.13 3mgo s LEU 126 CO -0.08 -0.66 1.15 -0.54 -1.32 0.00 0.00 176.35 174.89 3mgo s LYS 127 N 0.58 1.43 0.52 1.98 1.02 0.24 -4.64 119.74 120.87 3mgo s LYS 127 Ca 0.63 0.26 0.21 0.00 0.02 0.00 0.00 55.97 57.09 3mgo s LYS 127 Cb -0.39 -1.87 1.38 0.00 -0.52 0.00 0.00 37.83 36.43 3mgo s LYS 127 CO 0.34 -2.00 2.13 1.49 -0.92 0.00 0.00 175.35 176.40 3mgo h GLU 128 N -1.35 0.00 0.00 1.68 4.81 -1.88 0.92 114.58 118.76 3mgo h GLU 128 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3mgo h GLU 128 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3mgo h GLU 128 CO 0.63 0.06 0.00 -0.40 -0.73 0.00 0.00 179.01 178.57 3mgo n ASP 129 N -4.18 0.00 -2.20 1.04 5.75 -1.26 -4.80 116.55 110.90 3mgo n ASP 129 Ca -0.03 0.16 -0.16 0.00 -0.01 0.00 0.00 54.79 54.75 3mgo n ASP 129 Cb 0.14 -0.36 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 3mgo n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3mgo n LEU 130 N -1.36 -1.44 0.00 -2.12 4.77 0.32 -4.76 117.00 112.41 3mgo n LEU 130 Ca 0.08 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3mgo n LEU 130 Cb 0.18 -2.48 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 3mgo n LEU 130 CO 0.16 -0.33 -0.34 0.54 -1.33 0.00 0.00 177.39 176.10 3mgo n ARG 131 N -2.71 2.25 -4.40 3.23 1.74 -1.26 -4.62 116.66 110.89 3mgo n ARG 131 Ca -0.19 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.69 3mgo n ARG 131 Cb 0.62 -0.84 -0.10 0.00 -1.02 0.00 0.00 32.46 31.12 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 -1.74 2.77 0.15 0.55 1.04 -1.26 -4.95 113.70 110.25 3mgo s SER 132 Ca 0.00 -1.12 0.10 0.00 0.48 0.00 0.00 55.95 55.41 3mgo s SER 132 Cb 0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 3mgo s SER 132 CO 0.00 -0.25 -0.21 0.26 0.98 0.00 0.00 173.24 174.02 3mgo s TRP 133 N -2.96 2.43 -0.26 5.02 0.52 -1.26 -0.60 118.94 121.84 3mgo s TRP 133 Ca 0.27 -0.31 -0.06 0.00 0.02 0.00 0.00 56.10 56.02 3mgo s TRP 133 Cb 0.02 -1.26 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 3mgo s TRP 133 CO 0.10 0.42 0.04 0.99 0.02 0.00 0.00 176.95 178.52 3mgo s THR 134 N -1.32 3.94 -0.10 2.01 2.01 0.13 -4.90 115.64 117.41 3mgo s THR 134 Ca 0.18 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3mgo s THR 134 Cb -0.10 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.54 3mgo s THR 134 CO 0.10 0.28 -0.09 0.00 -0.69 0.00 0.00 174.62 174.21 3mgo s ALA 135 N 1.54 1.35 -0.03 7.40 0.00 -1.26 -2.66 121.76 128.10 3mgo s ALA 135 Ca 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 3mgo s ALA 135 Cb -0.16 -0.84 -0.28 0.00 0.00 0.00 0.00 23.12 21.84 3mgo s ALA 135 CO 0.01 -0.29 0.73 0.00 0.00 0.00 0.00 175.76 176.21 3mgo h ALA 136 N 7.89 0.31 -0.92 0.00 0.00 -1.91 -3.46 119.26 121.17 3mgo h ALA 136 Ca -0.31 -1.18 -0.63 0.00 0.00 0.00 0.00 54.91 52.79 3mgo h ALA 136 Cb 1.14 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 3mgo h ALA 136 CO 0.43 1.17 -0.51 0.16 0.00 0.00 0.00 179.25 180.50 3mgo s ASP 137 N -6.99 3.56 0.11 0.00 1.47 -1.26 -5.03 116.67 108.52 3mgo s ASP 137 Ca -0.12 -1.67 -0.24 0.00 1.18 0.00 0.00 52.55 51.70 3mgo s ASP 137 Cb 0.07 0.52 -0.08 0.00 -0.34 0.00 0.00 42.92 43.08 3mgo s ASP 137 CO 0.84 -0.89 1.67 0.24 0.68 0.00 0.00 175.17 177.71 3mgo h MET 138 N 1.54 -0.26 -0.69 2.11 2.86 -1.99 -0.83 114.93 117.67 3mgo h MET 138 Ca -0.40 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.38 3mgo h MET 138 Cb 1.30 0.06 -0.13 0.00 0.06 0.00 0.00 31.60 32.89 3mgo h MET 138 CO 0.66 -0.18 -0.30 0.00 1.06 0.00 0.00 176.91 178.15 3mgo h ALA 139 N 0.63 0.13 -0.58 6.32 0.00 -1.97 0.31 119.26 124.11 3mgo h ALA 139 Ca 0.04 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3mgo h ALA 139 Cb 0.32 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3mgo h ALA 139 CO -0.12 -0.60 0.24 0.00 0.00 0.00 0.00 179.25 178.77 3mgo h ALA 140 N 1.25 1.34 -0.30 0.00 0.00 -1.76 -2.59 119.26 117.20 3mgo h ALA 140 Ca 0.28 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3mgo h ALA 140 Cb 0.56 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3mgo h ALA 140 CO -0.75 0.50 -0.14 1.96 0.00 0.00 0.00 179.25 180.82 3mgo h GLN 141 N 0.82 -0.09 -0.18 0.00 1.08 0.10 0.90 115.11 117.75 3mgo h GLN 141 Ca 0.20 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.45 3mgo h GLN 141 Cb 0.15 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 3mgo h GLN 141 CO -0.02 -0.06 -0.17 1.15 -0.95 0.00 0.00 178.83 178.78 3mgo h THR 142 N -0.10 0.55 -0.68 -0.54 2.02 -0.90 -0.85 112.91 112.41 3mgo h THR 142 Ca 0.16 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.43 3mgo h THR 142 Cb 0.33 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 3mgo h THR 142 CO -0.36 0.00 0.32 0.74 0.37 0.00 0.00 175.52 176.59 3mgo h THR 143 N -0.19 0.83 -0.53 3.16 2.02 -1.29 -1.39 112.91 115.53 3mgo h THR 143 Ca 0.11 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.14 3mgo h THR 143 Cb 0.35 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3mgo h THR 143 CO -0.29 0.10 0.28 0.50 0.37 0.00 0.00 175.52 176.48 3mgo h LYS 144 N 0.55 0.53 -0.06 6.66 3.64 0.19 0.14 116.57 128.22 3mgo h LYS 144 Ca 0.34 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3mgo h LYS 144 Cb 0.37 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3mgo h LYS 144 CO -0.27 0.35 0.03 0.45 -2.27 0.00 0.00 179.45 177.74 3mgo h HIS 145 N 0.55 0.08 -0.40 1.91 3.86 -0.52 0.17 115.15 120.80 3mgo h HIS 145 Ca 0.23 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 3mgo h HIS 145 Cb 0.11 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.48 3mgo h HIS 145 CO -0.09 0.10 -0.13 -0.22 0.86 0.00 0.00 177.93 178.45 3mgo h LYS 146 N 0.03 -0.04 0.00 2.45 3.64 -0.85 -1.25 116.57 120.55 3mgo h LYS 146 Ca 0.02 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3mgo h LYS 146 Cb 0.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3mgo h LYS 146 CO -0.00 -0.03 -0.30 -1.49 -2.27 0.00 0.00 179.45 175.36 3mgo h TRP 147 N -0.04 0.00 -0.29 1.91 4.06 -0.78 -2.43 115.95 118.38 3mgo h TRP 147 Ca 0.19 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.96 3mgo h TRP 147 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 3mgo h TRP 147 CO -0.38 0.30 -0.52 0.93 -3.56 0.00 0.00 178.44 175.21 3mgo h GLU 148 N 0.00 0.87 -0.04 0.49 5.08 -0.15 -1.28 114.58 119.54 3mgo h GLU 148 Ca -0.00 -0.54 -0.14 0.00 -1.00 0.00 0.00 59.36 57.68 3mgo h GLU 148 Cb 0.81 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3mgo h GLU 148 CO 0.04 1.18 -0.60 0.00 -1.00 0.00 0.00 179.01 178.63 3mgo h ALA 149 N 0.68 0.93 -0.25 3.43 0.00 -1.02 -2.66 119.26 120.38 3mgo h ALA 149 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3mgo h ALA 149 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3mgo h ALA 149 CO 0.12 0.73 0.00 0.00 0.00 0.00 0.00 179.25 180.10 3mgo n ALA 150 N -2.45 2.49 -3.93 0.00 0.00 -0.94 -4.94 120.51 110.74 3mgo n ALA 150 Ca -0.02 -0.59 -0.26 0.00 0.00 0.00 0.00 53.44 52.58 3mgo n ALA 150 Cb 0.60 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 0.46 -1.66 -0.12 0.00 -0.00 -1.00 -4.88 115.22 108.02 3mgo n HIS 151 Ca 0.15 0.73 -0.12 0.00 -0.00 0.00 0.00 57.72 58.48 3mgo n HIS 151 Cb 0.33 -3.74 0.00 0.00 -0.00 0.00 0.00 29.99 26.59 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 -1.85 1.27 -0.81 1.59 2.07 -1.52 -3.20 116.25 113.81 3mgo h VAL 152 Ca -0.63 -1.51 0.04 0.00 0.82 0.00 0.00 66.70 65.42 3mgo h VAL 152 Cb 1.37 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 3mgo h VAL 152 CO 0.61 0.51 0.51 0.00 0.02 0.00 0.00 177.57 179.22 3mgo h ALA 153 N 0.84 1.08 -0.47 1.67 0.00 -1.90 -1.08 119.26 119.42 3mgo h ALA 153 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3mgo h ALA 153 Cb 0.92 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3mgo h ALA 153 CO 0.09 0.30 0.13 0.93 0.00 0.00 0.00 179.25 180.70 3mgo h GLU 154 N 0.98 0.69 0.10 0.00 3.07 -1.81 0.90 114.58 118.51 3mgo h GLU 154 Ca 0.34 -0.12 -0.25 0.00 -0.50 0.00 0.00 59.36 58.83 3mgo h GLU 154 Cb 0.06 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3mgo h GLU 154 CO -0.13 0.62 -1.03 1.96 -1.40 0.00 0.00 179.01 179.03 3mgo h GLN 155 N 0.68 0.52 -0.95 2.33 4.20 -1.51 -2.92 115.11 117.46 3mgo h GLN 155 Ca 0.16 -0.69 0.01 0.00 0.06 0.00 0.00 58.65 58.18 3mgo h GLN 155 Cb 0.23 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 3mgo h GLN 155 CO -0.01 1.30 0.63 -0.07 -0.67 0.00 0.00 178.83 180.01 3mgo h LEU 156 N 0.08 1.09 -0.85 1.46 3.38 -0.95 -2.42 115.31 117.09 3mgo h LEU 156 Ca -0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3mgo h LEU 156 Cb 1.74 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 3mgo h LEU 156 CO 0.20 0.79 0.51 -0.09 0.09 0.00 0.00 178.44 179.93 3mgo h ARG 157 N 1.28 1.16 -0.80 1.13 2.43 -0.85 -0.37 114.38 118.37 3mgo h ARG 157 Ca 0.35 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.46 3mgo h ARG 157 Cb -0.15 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.10 3mgo h ARG 157 CO -0.08 0.82 0.49 0.00 -1.51 0.00 0.00 179.97 179.69 3mgo h ALA 158 N 1.27 1.08 -0.08 2.80 0.00 -1.24 -0.55 119.26 122.54 3mgo h ALA 158 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3mgo h ALA 158 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3mgo h ALA 158 CO -0.06 0.23 -0.06 -0.92 0.00 0.00 0.00 179.25 178.44 3mgo h TYR 159 N 0.90 0.21 -0.32 0.00 3.20 -1.08 -1.18 116.97 118.70 3mgo h TYR 159 Ca 0.35 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 3mgo h TYR 159 Cb 0.15 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3mgo h TYR 159 CO -0.04 0.58 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.81 3mgo h LEU 160 N -0.22 0.57 0.00 2.82 3.38 -0.84 0.47 115.31 121.48 3mgo h LEU 160 Ca 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3mgo h LEU 160 Cb 0.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3mgo h LEU 160 CO 0.02 0.76 -1.04 -0.33 0.09 0.00 0.00 178.44 177.93 3mgo h GLU 161 N 0.52 0.00 0.00 1.13 5.08 -1.18 -3.34 114.58 116.78 3mgo h GLU 161 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3mgo h GLU 161 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3mgo h GLU 161 CO 0.04 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 3mgo n GLY 162 N 1.22 0.23 0.25 -3.84 0.00 -0.45 -4.64 105.19 97.96 3mgo n GLY 162 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 0.40 -0.26 2.61 2.02 -1.52 0.29 112.91 116.45 3mgo h THR 163 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3mgo h THR 163 Cb 0.00 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 3mgo h THR 163 CO 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 3mgo h VAL 165 N 0.02 1.15 -0.15 0.00 2.07 -1.52 -1.29 116.25 116.52 3mgo h VAL 165 Ca 0.13 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3mgo h VAL 165 Cb 0.19 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3mgo h VAL 165 CO -0.26 0.13 -0.12 -0.33 0.02 0.00 0.00 177.57 177.02 3mgo h GLU 166 N -0.04 -0.12 0.00 1.57 5.08 -0.62 -1.14 114.58 119.31 3mgo h GLU 166 Ca 0.03 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3mgo h GLU 166 Cb 0.18 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3mgo h GLU 166 CO -0.00 -0.08 -0.41 -1.49 -1.00 0.00 0.00 179.01 176.03 3mgo h TRP 167 N -0.13 0.00 -0.43 4.33 4.06 -1.10 -1.61 115.95 121.07 3mgo h TRP 167 Ca 0.10 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 3mgo h TRP 167 Cb 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.41 3mgo h TRP 167 CO -0.25 0.41 0.21 1.25 -3.56 0.00 0.00 178.44 176.50 3mgo h LEU 168 N 0.00 0.56 -0.49 -4.49 5.85 -0.72 -1.17 115.31 114.86 3mgo h LEU 168 Ca -0.00 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3mgo h LEU 168 Cb 0.93 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3mgo h LEU 168 CO 0.05 0.53 0.31 0.03 -0.34 0.00 0.00 178.44 179.03 3mgo h ARG 169 N 0.56 0.62 -0.70 1.25 3.08 -0.75 -1.54 114.38 116.90 3mgo h ARG 169 Ca 0.15 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.19 3mgo h ARG 169 Cb 0.12 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3mgo h ARG 169 CO -0.02 0.41 0.44 -0.09 -1.07 0.00 0.00 179.97 179.64 3mgo h ARG 170 N 0.64 0.83 -0.52 0.04 2.43 -1.02 -1.24 114.38 115.54 3mgo h ARG 170 Ca 0.19 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3mgo h ARG 170 Cb -0.04 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3mgo h ARG 170 CO -0.06 0.55 0.06 1.88 -1.51 0.00 0.00 179.97 180.89 3mgo h TYR 171 N 0.86 0.95 -0.53 2.20 0.05 -0.94 0.26 116.97 119.82 3mgo h TYR 171 Ca 0.28 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.94 3mgo h TYR 171 Cb 0.01 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.46 3mgo h TYR 171 CO -0.04 0.87 0.31 -0.07 -1.05 0.00 0.00 178.16 178.17 3mgo h LEU 172 N 0.77 0.49 0.38 3.88 3.38 -0.84 0.90 115.31 124.27 3mgo h LEU 172 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3mgo h LEU 172 Cb 0.45 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3mgo h LEU 172 CO 0.02 0.34 -0.18 -0.33 0.09 0.00 0.00 178.44 178.38 3mgo h GLU 173 N 0.61 -0.49 -0.32 1.13 5.08 -1.03 -2.10 114.58 117.46 3mgo h GLU 173 Ca 0.22 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3mgo h GLU 173 Cb 0.05 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3mgo h GLU 173 CO -0.11 -0.20 0.22 -0.91 -1.00 0.00 0.00 179.01 177.01 3mgo h ASN 174 N -0.77 0.23 -1.31 1.42 -0.26 -0.82 -2.65 115.58 111.42 3mgo h ASN 174 Ca -0.05 -0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.08 3mgo h ASN 174 Cb 0.52 -0.05 -0.40 0.00 -1.06 0.00 0.00 38.32 37.33 3mgo h ASN 174 CO 0.09 0.16 -0.42 0.61 -1.06 0.00 0.00 177.43 176.80 3mgo n GLY 175 N -1.52 6.06 0.22 2.83 0.00 0.30 -4.85 105.19 108.23 3mgo n GLY 175 Ca 0.03 -2.67 -0.07 0.00 0.00 0.00 0.00 46.02 43.31 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 2.47 0.72 -0.34 1.61 3.64 -1.00 0.25 116.57 123.92 3mgo h LYS 176 Ca 0.38 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.79 3mgo h LYS 176 Cb 0.99 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3mgo h LYS 176 CO 0.95 0.49 0.24 1.49 -2.27 0.00 0.00 179.45 180.35 3mgo h GLU 177 N 0.73 0.08 0.00 1.90 4.81 -1.88 -0.89 114.58 119.33 3mgo h GLU 177 Ca 0.20 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 3mgo h GLU 177 Cb -0.06 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3mgo h GLU 177 CO -0.04 0.05 -1.71 0.25 -0.73 0.00 0.00 179.01 176.83 3mgo n THR 178 N -4.45 0.72 0.13 0.32 -2.24 -1.12 -4.31 114.28 103.33 3mgo n THR 178 Ca 0.05 -0.31 0.02 0.00 -2.27 0.00 0.00 64.05 61.54 3mgo n THR 178 Cb 0.36 -0.91 0.04 0.00 -2.10 0.00 0.00 70.33 67.72 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 -3.07 3.22 3.38 -0.50 -3.25 115.31 115.08 3mgo h LEU 179 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3mgo h LEU 179 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3mgo h LEU 179 CO -0.03 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3mgo n GLN 180 N -3.27 3.19 -3.27 1.13 6.02 -0.34 -4.98 117.38 115.87 3mgo n GLN 180 Ca 0.02 -2.58 -0.33 0.00 -0.01 0.00 0.00 57.00 54.10 3mgo n GLN 180 Cb 0.74 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 30.29 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 -1.79 3.95 -0.27 -1.09 1.70 -1.23 -4.99 118.95 115.23 3mgo s ARG 181 Ca 0.39 0.52 0.01 0.00 -0.47 0.00 0.00 55.73 56.18 3mgo s ARG 181 Cb 0.26 -2.63 0.08 0.00 -0.57 0.00 0.00 34.95 32.08 3mgo s ARG 181 CO 0.18 0.29 0.01 0.95 -1.08 0.00 0.00 175.30 175.64 3mgo s THR 182 N -1.80 1.47 -0.56 4.99 -4.23 -1.26 -4.66 115.64 109.59 3mgo s THR 182 Ca 0.48 -1.46 -0.19 0.00 -1.18 0.00 0.00 61.69 59.34 3mgo s THR 182 Cb -0.12 -1.90 0.08 0.00 1.34 0.00 0.00 72.50 71.90 3mgo s THR 182 CO 0.19 -0.35 0.70 -1.81 -0.54 0.00 0.00 174.62 172.82 3mgo s ASP 183 N 1.37 6.20 0.40 3.99 1.01 -0.06 -4.81 116.67 124.78 3mgo s ASP 183 Ca 0.02 -1.18 -0.26 0.00 0.71 0.00 0.00 52.55 51.84 3mgo s ASP 183 Cb -0.18 -2.31 -0.11 0.00 1.01 0.00 0.00 42.92 41.33 3mgo s ASP 183 CO -0.11 -1.06 1.28 0.00 0.21 0.00 0.00 175.17 175.49 3mgo n ALA 184 N 6.41 1.33 -1.77 5.23 0.00 -1.26 -1.46 120.51 129.00 3mgo n ALA 184 Ca -0.08 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 3mgo n ALA 184 Cb 0.44 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 3mgo n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mgo s PRO 185 N -2.11 4.27 -0.27 0.00 0.04 -1.26 -4.58 135.00 131.08 3mgo s PRO 185 Ca 0.59 2.16 -0.25 0.00 0.04 0.00 0.00 61.00 63.54 3mgo s PRO 185 Cb -0.52 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3mgo s PRO 185 CO 0.59 -0.24 0.86 0.15 0.04 0.00 0.00 177.00 178.40 3mgo s LYS 186 N -1.91 4.09 -0.04 4.56 -0.14 0.84 -4.82 119.74 122.33 3mgo s LYS 186 Ca 0.51 0.86 0.04 0.00 -1.36 0.00 0.00 55.97 56.02 3mgo s LYS 186 Cb -0.38 -3.69 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 3mgo s LYS 186 CO 0.51 -0.63 -0.15 0.95 -0.76 0.00 0.00 175.35 175.26 3mgo s THR 187 N 3.01 3.03 0.33 2.17 -4.23 -1.26 -0.91 115.64 117.79 3mgo s THR 187 Ca 0.36 -0.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.98 3mgo s THR 187 Cb -0.14 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.52 3mgo s THR 187 CO 0.10 0.56 0.60 -1.38 -0.54 0.00 0.00 174.62 173.97 3mgo s HIS 188 N -0.76 0.47 -0.01 3.99 -3.43 -1.12 -5.00 115.29 109.44 3mgo s HIS 188 Ca 0.12 -0.90 0.02 0.00 -0.80 0.00 0.00 55.06 53.50 3mgo s HIS 188 Cb -0.11 0.36 -0.00 0.00 -1.43 0.00 0.00 32.58 31.40 3mgo s HIS 188 CO 0.01 -1.26 -0.08 1.41 -2.00 0.00 0.00 174.74 172.82 3mgo s MET 189 N -3.11 0.76 0.13 -0.38 1.75 -1.26 -0.64 119.30 116.55 3mgo s MET 189 Ca 0.22 -0.29 0.09 0.00 -1.25 0.00 0.00 55.69 54.46 3mgo s MET 189 Cb -0.03 -0.73 -0.04 0.00 2.84 0.00 0.00 34.83 36.87 3mgo s MET 189 CO 0.14 0.15 -0.15 0.95 -0.65 0.00 0.00 175.02 175.46 3mgo s THR 190 N -0.02 3.01 -0.07 10.11 -4.23 -0.27 -4.96 115.64 119.21 3mgo s THR 190 Ca 0.01 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3mgo s THR 190 Cb -0.05 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.39 3mgo s THR 190 CO -0.00 0.04 0.01 -2.28 -0.54 0.00 0.00 174.62 171.85 3mgo s HIS 191 N -1.33 0.59 -0.04 3.99 2.46 -1.26 -1.43 115.29 118.28 3mgo s HIS 191 Ca 0.21 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.62 3mgo s HIS 191 Cb -0.10 -0.76 0.03 0.00 -0.13 0.00 0.00 32.58 31.61 3mgo s HIS 191 CO 0.12 -0.32 -0.00 -1.01 -2.47 0.00 0.00 174.74 171.07 3mgo s HIS 192 N 2.00 0.38 -0.20 3.88 3.76 -0.74 -4.97 115.29 119.40 3mgo s HIS 192 Ca 0.05 -0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.65 3mgo s HIS 192 Cb -0.12 -0.48 -0.02 0.00 1.11 0.00 0.00 32.58 33.07 3mgo s HIS 192 CO -0.05 -0.16 1.39 0.00 -0.85 0.00 0.00 174.74 175.07 3mgo s ALA 193 N 1.17 3.50 -0.15 -1.40 0.00 -1.26 0.48 121.76 124.10 3mgo s ALA 193 Ca -0.08 0.42 0.16 0.00 0.00 0.00 0.00 51.96 52.46 3mgo s ALA 193 Cb -0.13 -3.72 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 3mgo s ALA 193 CO -0.02 -1.51 1.22 -0.39 0.00 0.00 0.00 175.76 175.06 3mgo h VAL 194 N 5.75 0.71 -0.89 0.00 -1.51 -1.84 -3.48 116.25 114.99 3mgo h VAL 194 Ca -0.29 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.08 3mgo h VAL 194 Cb 1.12 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 3mgo h VAL 194 CO 0.99 0.40 0.00 -1.54 -1.23 0.00 0.00 177.57 176.20 3mgo n SER 195 N -3.09 0.00 0.06 4.19 3.41 -1.16 -5.01 113.62 112.01 3mgo n SER 195 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 3mgo n SER 195 Cb 0.76 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.58 3mgo n SER 195 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3mgo h ASP 196 N 0.00 0.16 -0.01 4.04 -0.00 -2.03 -3.36 116.42 115.21 3mgo h ASP 196 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 3mgo h ASP 196 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.28 3mgo h ASP 196 CO 0.00 1.15 -0.19 1.41 -0.00 0.00 0.00 179.24 181.61 3mgo n HIS 197 N -3.38 0.00 -4.06 0.28 -0.00 -1.26 -4.84 115.22 101.96 3mgo n HIS 197 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.58 3mgo n HIS 197 Cb 0.99 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.88 3mgo n HIS 197 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3mgo s GLU 198 N -1.55 0.72 -0.01 -0.41 2.02 -1.26 -1.07 118.70 117.15 3mgo s GLU 198 Ca 0.14 -1.22 -0.18 0.00 0.02 0.00 0.00 54.97 53.73 3mgo s GLU 198 Cb 0.12 0.24 0.03 0.00 0.10 0.00 0.00 34.13 34.62 3mgo s GLU 198 CO 0.29 -0.17 0.38 0.00 0.02 0.00 0.00 175.26 175.78 3mgo s ALA 199 N -3.94 -0.95 -0.24 5.21 0.00 0.14 -2.68 121.76 119.31 3mgo s ALA 199 Ca 0.10 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 3mgo s ALA 199 Cb 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3mgo s ALA 199 CO -0.08 -0.32 0.44 0.99 0.00 0.00 0.00 175.76 176.80 3mgo s THR 200 N -1.58 5.14 -0.28 0.00 2.01 0.18 -0.45 115.64 120.66 3mgo s THR 200 Ca -0.11 0.75 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 3mgo s THR 200 Cb -0.03 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3mgo s THR 200 CO 0.04 0.16 0.15 -0.76 -0.69 0.00 0.00 174.62 173.52 3mgo s LEU 201 N 1.89 3.87 -0.16 4.42 1.43 -0.44 -1.79 118.68 127.90 3mgo s LEU 201 Ca 0.19 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3mgo s LEU 201 Cb -0.15 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3mgo s LEU 201 CO 0.09 -0.07 -0.16 -0.60 0.23 0.00 0.00 176.35 175.84 3mgo s ARG 202 N 1.70 3.16 -0.25 1.70 3.52 -0.51 -0.87 118.95 127.40 3mgo s ARG 202 Ca 0.07 -0.77 -0.13 0.00 -0.13 0.00 0.00 55.73 54.77 3mgo s ARG 202 Cb -0.16 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 30.59 3mgo s ARG 202 CO 0.08 -0.02 0.26 0.00 -0.81 0.00 0.00 175.30 174.81 3mgo s TRP 204 N 1.52 3.25 -0.14 0.00 0.52 0.19 -2.00 118.94 122.28 3mgo s TRP 204 Ca 0.11 0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.48 3mgo s TRP 204 Cb -0.15 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3mgo s TRP 204 CO 0.08 0.50 -0.13 0.00 0.02 0.00 0.00 176.95 177.43 3mgo s ALA 205 N -0.83 1.72 0.13 0.98 0.00 -0.41 -2.77 121.76 120.57 3mgo s ALA 205 Ca 0.13 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.33 3mgo s ALA 205 Cb -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 3mgo s ALA 205 CO 0.03 -0.38 -0.13 -0.51 0.00 0.00 0.00 175.76 174.77 3mgo s LEU 206 N 1.52 2.43 -1.46 0.00 1.43 -0.09 -2.22 118.68 120.29 3mgo s LEU 206 Ca 0.05 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 3mgo s LEU 206 Cb -0.13 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.64 3mgo s LEU 206 CO -0.10 -0.19 0.62 -1.20 0.23 0.00 0.00 176.35 175.71 3mgo n SER 207 N 0.39 -5.29 -4.86 2.29 7.64 -1.08 -0.11 113.62 112.60 3mgo n SER 207 Ca -0.14 -0.36 -0.26 0.00 1.01 0.00 0.00 58.87 59.12 3mgo n SER 207 Cb 0.58 -4.29 -0.04 0.00 -1.01 0.00 0.00 64.21 59.45 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 -3.11 3.28 -0.22 1.43 -0.12 -1.19 -4.68 117.98 113.37 3mgo s PHE 208 Ca 0.37 0.03 -0.15 0.00 -0.05 0.00 0.00 56.93 57.12 3mgo s PHE 208 Cb -0.18 -1.56 0.06 0.00 -0.63 0.00 0.00 43.02 40.71 3mgo s PHE 208 CO 0.45 0.52 0.56 -0.47 -0.05 0.00 0.00 175.22 176.23 3mgo s TYR 209 N -1.77 -0.76 0.39 3.49 5.04 -0.53 -1.58 117.35 121.62 3mgo s TYR 209 Ca 0.32 1.65 -0.07 0.00 -2.44 0.00 0.00 57.07 56.54 3mgo s TYR 209 Cb -0.10 0.36 0.10 0.00 0.35 0.00 0.00 41.96 42.67 3mgo s TYR 209 CO 0.25 -0.39 0.40 -2.30 -1.34 0.00 0.00 175.55 172.17 3mgo n PRO 210 N 3.71 -1.34 0.13 4.97 -0.02 -1.26 -0.88 135.00 140.31 3mgo n PRO 210 Ca -0.19 -0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 60.66 3mgo n PRO 210 Cb 0.57 -0.53 0.15 0.00 -0.02 0.00 0.00 33.50 33.67 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 -2.15 0.89 -2.53 3.55 0.00 -1.96 -3.45 119.26 113.60 3mgo h ALA 211 Ca -0.14 -0.58 -0.53 0.00 0.00 0.00 0.00 54.91 53.66 3mgo h ALA 211 Cb 0.42 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.15 3mgo h ALA 211 CO 0.09 0.80 1.11 -1.91 0.00 0.00 0.00 179.25 179.34 3mgo n GLU 212 N -3.69 2.83 -3.48 0.00 4.07 -1.26 -4.96 120.64 114.14 3mgo n GLU 212 Ca -0.01 1.03 -0.13 0.00 -0.06 0.00 0.00 57.16 57.99 3mgo n GLU 212 Cb 0.65 -2.92 -0.04 0.00 -0.06 0.00 0.00 31.44 29.07 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 2.55 0.00 -0.12 6.31 2.07 -1.26 -4.59 121.20 126.16 3mgo s ILE 213 Ca 0.81 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.07 3mgo s ILE 213 Cb -0.47 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.12 3mgo s ILE 213 CO 0.36 0.00 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.31 3mgo s THR 214 N -2.65 1.83 -0.13 4.00 2.01 -0.57 -5.00 115.64 115.14 3mgo s THR 214 Ca -0.02 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 3mgo s THR 214 Cb -0.01 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.91 3mgo s THR 214 CO -0.04 0.51 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 3mgo s LEU 215 N 0.75 1.35 0.05 4.42 1.43 -1.26 -1.58 118.68 123.83 3mgo s LEU 215 Ca -0.10 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3mgo s LEU 215 Cb -0.16 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 3mgo s LEU 215 CO 0.01 -0.11 -0.06 0.42 0.23 0.00 0.00 176.35 176.84 3mgo s THR 216 N 1.65 0.45 -0.01 5.49 -4.23 -0.89 -4.93 115.64 113.16 3mgo s THR 216 Ca 0.05 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 3mgo s THR 216 Cb -0.13 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 3mgo s THR 216 CO -0.09 -0.52 -0.00 0.26 -0.54 0.00 0.00 174.62 173.73 3mgo s TRP 217 N -1.87 3.07 0.03 3.99 0.52 -1.26 -0.37 118.94 123.05 3mgo s TRP 217 Ca -0.07 0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.18 3mgo s TRP 217 Cb -0.07 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3mgo s TRP 217 CO -0.01 0.46 -0.14 -0.65 0.02 0.00 0.00 176.95 176.63 3mgo s GLN 218 N -1.48 0.96 -0.28 4.98 -0.21 0.63 -1.99 119.66 122.27 3mgo s GLN 218 Ca 0.19 -0.69 -0.01 0.00 0.02 0.00 0.00 55.36 54.87 3mgo s GLN 218 Cb -0.11 -0.96 0.05 0.00 1.00 0.00 0.00 33.01 32.98 3mgo s GLN 218 CO 0.09 0.24 -0.04 0.50 -2.12 0.00 0.00 175.29 173.96 3mgo s ARG 219 N -0.94 2.50 -1.49 2.91 3.52 -0.11 -0.43 118.95 124.91 3mgo s ARG 219 Ca 0.02 -1.21 -0.12 0.00 -0.13 0.00 0.00 55.73 54.30 3mgo s ARG 219 Cb -0.07 -3.06 0.07 0.00 -1.56 0.00 0.00 34.95 30.33 3mgo s ARG 219 CO 0.01 -0.55 0.92 -0.25 -0.81 0.00 0.00 175.30 174.62 3mgo n ASP 220 N 4.59 -5.07 0.00 -2.12 8.00 0.03 -1.70 116.55 120.28 3mgo n ASP 220 Ca -0.14 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.70 3mgo n ASP 220 Cb 0.44 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 3mgo n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgo n GLY 221 N -1.66 1.08 3.67 0.44 0.00 -1.26 -5.02 105.19 102.43 3mgo n GLY 221 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.19 4.06 0.54 1.61 2.02 -0.69 -5.02 118.70 121.03 3mgo s GLU 222 Ca 0.00 -0.29 -0.22 0.00 0.02 0.00 0.00 54.97 54.49 3mgo s GLU 222 Cb 0.00 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 3mgo s GLU 222 CO 0.00 0.21 1.28 -0.25 0.02 0.00 0.00 175.26 176.52 3mgo n ASP 223 N 3.77 2.35 -0.49 -0.19 9.92 -1.26 -0.94 116.55 129.71 3mgo n ASP 223 Ca -0.16 0.97 0.07 0.00 -0.53 0.00 0.00 54.79 55.14 3mgo n ASP 223 Cb 0.52 -1.53 0.19 0.00 -0.64 0.00 0.00 41.12 39.66 3mgo n ASP 223 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mgo n GLN 224 N -0.86 1.51 -0.31 -1.24 1.13 -0.84 -4.84 117.38 111.93 3mgo n GLN 224 Ca 0.10 -3.13 -0.00 0.00 -1.94 0.00 0.00 57.00 52.03 3mgo n GLN 224 Cb 0.44 -1.58 0.04 0.00 0.11 0.00 0.00 30.24 29.25 3mgo n GLN 224 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3mgo n THR 225 N -1.18 -0.42 1.17 5.09 -1.04 -1.26 0.08 114.28 116.72 3mgo n THR 225 Ca 0.18 1.87 0.14 0.00 -2.04 0.00 0.00 64.05 64.20 3mgo n THR 225 Cb 0.68 -2.48 0.54 0.00 -1.82 0.00 0.00 70.33 67.25 3mgo n THR 225 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mgo n GLN 226 N -5.19 0.26 -0.10 -2.82 10.64 -1.26 -3.29 117.38 115.63 3mgo n GLN 226 Ca 0.08 -0.08 0.06 0.00 -1.83 0.00 0.00 57.00 55.24 3mgo n GLN 226 Cb 0.33 -1.50 0.11 0.00 -0.86 0.00 0.00 30.24 28.32 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 -1.31 2.51 -4.50 2.61 10.43 0.11 -4.96 116.55 121.45 3mgo n ASP 227 Ca 0.10 -1.76 -0.33 0.00 2.57 0.00 0.00 54.79 55.37 3mgo n ASP 227 Cb 0.31 -0.13 -0.13 0.00 1.84 0.00 0.00 41.12 43.01 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 -0.99 3.17 -0.28 -3.53 -4.23 -0.39 -4.44 115.64 104.95 3mgo s THR 228 Ca 0.19 -0.72 -0.20 0.00 -1.18 0.00 0.00 61.69 59.79 3mgo s THR 228 Cb 0.11 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 3mgo s THR 228 CO 0.16 0.57 0.59 -0.70 -0.54 0.00 0.00 174.62 174.70 3mgo s GLU 229 N -0.83 4.00 -0.26 3.99 2.12 0.10 -4.92 118.70 122.90 3mgo s GLU 229 Ca 0.12 0.37 -0.06 0.00 0.36 0.00 0.00 54.97 55.76 3mgo s GLU 229 Cb -0.11 -3.68 -0.00 0.00 0.26 0.00 0.00 34.13 30.59 3mgo s GLU 229 CO 0.01 -0.46 0.03 -0.51 -0.54 0.00 0.00 175.26 173.79 3mgo s LEU 230 N 2.48 3.43 0.43 2.70 1.43 -1.26 -1.48 118.68 126.41 3mgo s LEU 230 Ca 0.24 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 3mgo s LEU 230 Cb -0.15 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 3mgo s LEU 230 CO 0.10 -0.10 0.84 0.68 0.23 0.00 0.00 176.35 178.10 3mgo s VAL 231 N 1.51 4.69 0.33 -1.59 -7.23 -1.13 -5.04 120.40 111.95 3mgo s VAL 231 Ca 0.04 0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 60.77 3mgo s VAL 231 Cb -0.16 -3.72 -0.10 0.00 0.56 0.00 0.00 36.38 32.97 3mgo s VAL 231 CO 0.01 -0.54 1.27 -0.70 -0.31 0.00 0.00 175.10 174.83 3mgo s GLU 232 N -3.83 4.35 0.08 4.82 2.12 -1.26 -4.64 118.70 120.34 3mgo s GLU 232 Ca 0.54 2.13 -0.34 0.00 0.36 0.00 0.00 54.97 57.66 3mgo s GLU 232 Cb -0.10 -3.04 -0.13 0.00 0.26 0.00 0.00 34.13 31.11 3mgo s GLU 232 CO 0.30 -0.16 1.67 2.41 -0.54 0.00 0.00 175.26 178.93 3mgo n THR 233 N 0.76 0.18 -4.49 -1.70 -1.04 -1.26 -4.81 114.28 101.92 3mgo n THR 233 Ca 0.00 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.05 61.76 3mgo n THR 233 Cb 0.43 -1.63 -0.14 0.00 -1.82 0.00 0.00 70.33 67.17 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 1.88 1.10 0.17 -2.82 1.70 -0.21 -4.94 118.95 115.84 3mgo s ARG 234 Ca 0.83 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 55.02 3mgo s ARG 234 Cb -0.69 -1.14 -0.08 0.00 -0.57 0.00 0.00 34.95 32.48 3mgo s ARG 234 CO 0.42 0.29 1.12 -1.25 -1.08 0.00 0.00 175.30 174.80 3mgo s PRO 235 N -1.02 4.57 0.35 3.89 0.04 -1.26 0.35 135.00 141.92 3mgo s PRO 235 Ca 0.04 1.75 0.25 0.00 0.04 0.00 0.00 61.00 63.07 3mgo s PRO 235 Cb -0.08 -3.27 0.58 0.00 0.04 0.00 0.00 34.50 31.77 3mgo s PRO 235 CO 0.01 0.03 1.69 0.00 0.04 0.00 0.00 177.00 178.77 3mgo h ALA 236 N 5.19 1.00 0.00 8.56 0.00 -1.66 -3.46 119.26 128.89 3mgo h ALA 236 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3mgo h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mgo h ALA 236 CO 0.73 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3mgo n GLY 237 N 1.11 0.49 0.90 0.00 0.00 -1.26 -4.89 105.19 101.54 3mgo n GLY 237 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 3.12 0.00 1.61 5.75 -1.26 -4.93 116.55 120.83 3mgo n ASP 238 Ca 0.00 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 3mgo n ASP 238 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.07 1.07 4.04 6.12 0.00 -1.26 -5.08 105.19 111.14 3mgo n GLY 239 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.17 1.99 0.19 2.61 -4.23 -1.26 -4.91 115.64 107.85 3mgo s THR 240 Ca 0.00 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 3mgo s THR 240 Cb 0.00 -2.00 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 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 -2.72 1.30 0.17 3.99 0.08 -0.62 -1.74 117.98 118.44 3mgo s PHE 241 Ca 0.62 -0.99 0.02 0.00 0.12 0.00 0.00 56.93 56.70 3mgo s PHE 241 Cb -0.05 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.62 3mgo s PHE 241 CO 0.39 -0.16 -0.02 -0.65 -0.10 0.00 0.00 175.22 174.68 3mgo s GLN 242 N -3.90 1.09 -0.26 0.44 -0.21 0.16 -2.63 119.66 114.35 3mgo s GLN 242 Ca 0.25 -1.51 -0.28 0.00 0.02 0.00 0.00 55.36 53.84 3mgo s GLN 242 Cb 0.06 -0.32 0.17 0.00 1.00 0.00 0.00 33.01 33.92 3mgo s GLN 242 CO 0.05 -0.10 1.27 0.21 -2.12 0.00 0.00 175.29 174.60 3mgo s LYS 243 N -3.89 0.23 0.02 2.91 2.20 -0.94 -1.05 119.74 119.22 3mgo s LYS 243 Ca 0.22 0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.91 3mgo s LYS 243 Cb 0.06 0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 3mgo s LYS 243 CO 0.03 -0.06 0.09 1.67 -0.36 0.00 0.00 175.35 176.73 3mgo s TRP 244 N -0.57 0.14 -0.12 4.03 1.48 -1.26 -1.29 118.94 121.35 3mgo s TRP 244 Ca 0.05 -0.34 0.02 0.00 -1.06 0.00 0.00 56.10 54.77 3mgo s TRP 244 Cb -0.03 -0.11 0.01 0.00 -1.16 0.00 0.00 33.47 32.19 3mgo s TRP 244 CO -0.08 -0.30 -0.16 0.00 -4.06 0.00 0.00 176.95 172.35 3mgo s ALA 245 N -1.83 1.79 0.11 2.67 0.00 -0.85 -2.85 121.76 120.80 3mgo s ALA 245 Ca -0.12 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.12 3mgo s ALA 245 Cb -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3mgo s ALA 245 CO -0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 175.76 175.52 3mgo s ALA 246 N 1.01 2.85 -0.00 0.00 0.00 -0.55 -0.98 121.76 124.09 3mgo s ALA 246 Ca -0.06 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 3mgo s ALA 246 Cb -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.19 3mgo s ALA 246 CO -0.02 0.61 0.00 0.54 0.00 0.00 0.00 175.76 176.89 3mgo s VAL 247 N -1.22 -0.00 -0.34 0.00 0.11 -0.05 -0.73 120.40 118.17 3mgo s VAL 247 Ca 0.20 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 3mgo s VAL 247 Cb -0.11 -0.01 0.01 0.00 -1.53 0.00 0.00 36.38 34.74 3mgo s VAL 247 CO 0.12 0.00 0.81 -0.69 -3.33 0.00 0.00 175.10 172.02 3mgo s VAL 248 N 0.01 4.73 -0.15 2.04 1.01 -1.26 -1.33 120.40 125.44 3mgo s VAL 248 Ca -0.00 1.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.01 3mgo s VAL 248 Cb -0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3mgo s VAL 248 CO -0.00 -0.38 -0.05 -0.69 0.00 0.00 0.00 175.10 173.98 3mgo s VAL 249 N 3.12 3.80 0.18 2.92 1.01 0.40 -4.93 120.40 126.90 3mgo s VAL 249 Ca 0.33 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 3mgo s VAL 249 Cb -0.13 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 3mgo s VAL 249 CO 0.15 0.50 1.47 -2.84 0.00 0.00 0.00 175.10 174.38 3mgo s PRO 250 N 0.34 4.27 -0.30 2.72 0.02 -1.26 -0.68 135.00 140.10 3mgo s PRO 250 Ca -0.05 2.25 -0.39 0.00 0.02 0.00 0.00 61.00 62.84 3mgo s PRO 250 Cb -0.14 -3.17 -0.15 0.00 0.02 0.00 0.00 34.50 31.06 3mgo s PRO 250 CO 0.03 -0.49 1.88 0.43 -0.33 0.00 0.00 177.00 178.53 3mgo n SER 251 N 3.40 2.29 0.00 2.53 7.64 -0.23 -1.59 113.62 127.67 3mgo n SER 251 Ca 0.11 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.88 3mgo n SER 251 Cb 0.40 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 4.97 0.80 0.49 0.23 0.00 -1.26 -4.97 105.19 105.45 3mgo n GLY 252 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.83 2.71 -0.29 1.61 6.02 -0.62 -4.72 117.38 121.25 3mgo n GLN 253 Ca 0.00 -2.21 0.07 0.00 -0.01 0.00 0.00 57.00 54.86 3mgo n GLN 253 Cb 0.00 -1.39 0.22 0.00 1.02 0.00 0.00 30.24 30.09 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 1.26 0.58 0.00 -1.09 3.07 -1.92 -1.75 114.58 114.73 3mgo h GLU 254 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3mgo h GLU 254 Cb 0.90 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3mgo h GLU 254 CO 0.06 0.38 -0.09 -0.56 -1.40 0.00 0.00 179.01 177.39 3mgo h GLN 255 N 0.59 0.00 0.00 2.33 -0.00 -1.85 -2.40 115.11 113.78 3mgo h GLN 255 Ca 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.09 3mgo h GLN 255 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.15 3mgo h GLN 255 CO -0.37 0.09 -0.11 0.00 -0.00 0.00 0.00 178.83 178.44 3mgo h ARG 256 N 0.00 0.00 -5.94 0.06 3.08 -1.68 -3.45 114.38 106.45 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 0.30 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 3mgo h ARG 256 CO 0.01 0.11 -0.28 0.71 -1.07 0.00 0.00 179.97 179.45 3mgo s TYR 257 N -3.61 3.67 -0.03 3.04 1.51 -0.90 -0.79 117.35 120.24 3mgo s TYR 257 Ca 0.01 0.84 0.02 0.00 -1.01 0.00 0.00 57.07 56.93 3mgo s TYR 257 Cb 0.09 -2.18 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3mgo s TYR 257 CO 0.60 0.65 -0.06 0.95 -1.11 0.00 0.00 175.55 176.57 3mgo s THR 258 N -1.13 0.62 -0.11 -0.71 -4.23 0.43 -4.44 115.64 106.06 3mgo s THR 258 Ca 0.23 -0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 60.39 3mgo s THR 258 Cb -0.15 -0.58 -0.05 0.00 1.34 0.00 0.00 72.50 73.06 3mgo s THR 258 CO 0.12 0.22 0.29 0.00 -0.54 0.00 0.00 174.62 174.70 3mgo s HIS 260 N -0.20 2.65 -0.14 0.00 3.76 0.51 -0.31 115.29 121.55 3mgo s HIS 260 Ca 0.18 -1.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.08 3mgo s HIS 260 Cb -0.14 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 31.79 3mgo s HIS 260 CO 0.06 -0.42 -0.21 0.08 -0.85 0.00 0.00 174.74 173.39 3mgo s VAL 261 N 0.49 2.14 -0.12 -0.90 1.01 -0.24 -2.10 120.40 120.68 3mgo s VAL 261 Ca -0.14 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.91 3mgo s VAL 261 Cb -0.17 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3mgo s VAL 261 CO 0.05 0.55 -0.19 -1.10 0.00 0.00 0.00 175.10 174.41 3mgo s GLN 262 N 0.80 2.63 -0.09 2.72 -0.21 -0.61 -0.86 119.66 124.04 3mgo s GLN 262 Ca -0.07 -0.72 -0.23 0.00 0.02 0.00 0.00 55.36 54.36 3mgo s GLN 262 Cb -0.16 -2.14 0.05 0.00 1.00 0.00 0.00 33.01 31.77 3mgo s GLN 262 CO -0.01 -0.00 0.55 -1.58 -2.12 0.00 0.00 175.29 172.13 3mgo s HIS 263 N 0.80 -0.53 0.35 0.91 2.46 -1.26 -1.51 115.29 116.52 3mgo s HIS 263 Ca -0.09 1.03 0.15 0.00 0.47 0.00 0.00 55.06 56.62 3mgo s HIS 263 Cb -0.16 0.27 1.06 0.00 -0.13 0.00 0.00 32.58 33.63 3mgo s HIS 263 CO 0.00 -0.46 1.70 1.49 -2.47 0.00 0.00 174.74 175.00 3mgo h GLU 264 N 3.90 0.38 0.00 2.88 4.81 -1.93 0.22 114.58 124.85 3mgo h GLU 264 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3mgo h GLU 264 Cb 1.16 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3mgo h GLU 264 CO 0.32 0.25 0.00 0.41 -0.73 0.00 0.00 179.01 179.26 3mgo n GLY 265 N -1.35 -1.09 3.59 1.92 0.00 -1.26 -4.72 105.19 102.29 3mgo n GLY 265 Ca 0.30 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.35 3.86 0.12 0.99 1.43 0.79 -4.49 118.68 119.04 3mgo s LEU 266 Ca 0.33 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 3mgo s LEU 266 Cb 0.19 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3mgo s LEU 266 CO 0.39 0.06 1.67 -0.65 0.23 0.00 0.00 176.35 178.04 3mgo h PRO 267 N 7.58 -0.21 -5.52 1.29 0.11 -1.84 -3.44 132.00 129.96 3mgo h PRO 267 Ca -0.37 0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.31 3mgo h PRO 267 Cb 1.17 0.05 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 3mgo h PRO 267 CO 0.63 -0.14 -0.77 -1.59 -0.21 0.00 0.00 178.00 175.92 3mgo s LYS 268 N -6.14 1.02 0.27 1.05 0.00 -1.26 -5.12 119.74 109.56 3mgo s LYS 268 Ca -0.14 -1.19 -0.30 0.00 0.00 0.00 0.00 55.97 54.33 3mgo s LYS 268 Cb 0.10 -0.97 -0.13 0.00 0.00 0.00 0.00 37.83 36.82 3mgo s LYS 268 CO 0.67 0.20 1.39 -2.30 0.00 0.00 0.00 175.35 175.31 3mgo n PRO 269 N 0.71 2.10 -3.23 1.78 -0.02 -1.26 -4.96 135.00 130.11 3mgo n PRO 269 Ca -0.17 0.74 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 3mgo n PRO 269 Cb 0.56 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.21 4.42 -0.15 2.45 1.43 -0.04 -4.91 118.68 121.67 3mgo s LEU 270 Ca 0.65 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3mgo s LEU 270 Cb -0.62 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.38 3mgo s LEU 270 CO 0.53 0.14 -0.18 -0.89 0.23 0.00 0.00 176.35 176.18 3mgo s THR 271 N -1.35 1.83 0.02 5.49 2.01 -1.26 -1.08 115.64 121.30 3mgo s THR 271 Ca 0.36 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.64 3mgo s THR 271 Cb -0.17 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3mgo s THR 271 CO 0.20 0.50 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.63 3mgo s LEU 272 N 1.25 2.12 -0.11 4.42 1.43 0.58 -4.96 118.68 123.42 3mgo s LEU 272 Ca 0.02 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3mgo s LEU 272 Cb -0.14 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.94 3mgo s LEU 272 CO -0.09 0.25 0.27 0.00 0.23 0.00 0.00 176.35 177.01 3mgo s ARG 273 N -0.96 0.28 0.02 1.70 1.70 -1.26 0.53 118.95 120.96 3mgo s ARG 273 Ca 0.10 0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 55.51 3mgo s ARG 273 Cb -0.09 0.04 -0.08 0.00 -0.57 0.00 0.00 34.95 34.25 3mgo s ARG 273 CO 0.01 -0.09 1.82 -0.46 -1.08 0.00 0.00 175.30 175.50 3mgo s TRP 274 N 0.63 1.69 0.00 5.89 -0.11 -1.26 -5.07 118.94 120.70 3mgo s TRP 274 Ca -0.04 -0.13 0.00 0.00 1.22 0.00 0.00 56.10 57.15 3mgo s TRP 274 Cb -0.05 -4.10 0.00 0.00 -1.50 0.00 0.00 33.47 27.81 3mgo s TRP 274 CO -0.04 -4.78 0.00 -0.85 -4.62 0.00 0.00 176.95 166.66