#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgt s SER 2 N 0.00 5.54 0.09 1.61 1.04 -1.26 -3.77 113.70 116.96 3mgt s SER 2 Ca 0.00 0.91 -0.04 0.00 0.48 0.00 0.00 55.95 57.30 3mgt s SER 2 Cb 0.00 -1.82 -0.03 0.00 0.10 0.00 0.00 66.02 64.27 3mgt s SER 2 CO 0.00 -1.18 0.08 -1.00 0.98 0.00 0.00 173.24 172.12 3mgt s HIS 3 N -3.15 0.52 0.05 5.02 4.02 -0.69 -4.96 115.29 116.09 3mgt s HIS 3 Ca 0.56 -0.98 -0.00 0.00 1.02 0.00 0.00 55.06 55.65 3mgt s HIS 3 Cb -0.11 -0.31 -0.04 0.00 -1.02 0.00 0.00 32.58 31.11 3mgt s HIS 3 CO 0.48 -0.49 -0.04 -1.54 1.02 0.00 0.00 174.74 174.17 3mgt s SER 4 N -2.95 0.52 -0.03 1.40 1.04 -1.26 -0.67 113.70 111.75 3mgt s SER 4 Ca 0.12 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.67 3mgt s SER 4 Cb 0.07 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.37 3mgt s SER 4 CO -0.06 -0.52 -0.06 -0.32 0.98 0.00 0.00 173.24 173.26 3mgt s MET 5 N -3.42 0.84 -0.01 4.02 1.75 0.15 -1.22 119.30 121.42 3mgt s MET 5 Ca 0.03 -0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.30 3mgt s MET 5 Cb 0.04 -0.81 -0.00 0.00 2.84 0.00 0.00 34.83 36.90 3mgt s MET 5 CO -0.08 0.01 -0.07 1.03 -0.65 0.00 0.00 175.02 175.27 3mgt s ARG 6 N 0.52 0.56 -0.09 4.11 1.81 -0.89 -1.27 118.95 123.70 3mgt s ARG 6 Ca -0.07 -0.24 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 3mgt s ARG 6 Cb -0.11 -0.54 -0.03 0.00 -0.45 0.00 0.00 34.95 33.82 3mgt s ARG 6 CO 0.00 0.14 -0.09 0.71 -0.68 0.00 0.00 175.30 175.39 3mgt s TYR 7 N -0.14 2.88 -0.11 -0.53 2.02 0.07 -0.37 117.35 121.18 3mgt s TYR 7 Ca 0.02 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 3mgt s TYR 7 Cb -0.03 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3mgt s TYR 7 CO -0.00 0.12 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.85 3mgt s PHE 8 N -0.32 2.67 -0.10 2.71 0.08 0.76 -2.34 117.98 121.44 3mgt s PHE 8 Ca 0.04 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.35 3mgt s PHE 8 Cb -0.13 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3mgt s PHE 8 CO 0.02 -0.25 -0.15 -0.06 -0.10 0.00 0.00 175.22 174.68 3mgt s PHE 9 N 0.21 1.95 -0.16 0.36 0.08 0.30 -1.31 117.98 119.41 3mgt s PHE 9 Ca -0.11 -0.90 0.01 0.00 0.12 0.00 0.00 56.93 56.05 3mgt s PHE 9 Cb -0.16 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3mgt s PHE 9 CO 0.06 -0.46 -0.20 0.99 -0.10 0.00 0.00 175.22 175.52 3mgt s THR 10 N 0.93 1.99 -0.17 0.64 2.01 -0.24 -1.39 115.64 119.41 3mgt s THR 10 Ca -0.08 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 3mgt s THR 10 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.57 3mgt s THR 10 CO -0.01 0.53 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.77 3mgt s SER 11 N 1.14 3.69 -0.18 3.53 0.15 0.48 -1.08 113.70 121.43 3mgt s SER 11 Ca 0.00 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.17 3mgt s SER 11 Cb -0.14 -1.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.62 3mgt s SER 11 CO -0.09 0.05 -0.09 -0.69 1.20 0.00 0.00 173.24 173.62 3mgt s VAL 12 N 1.05 1.45 0.33 4.45 1.01 0.13 -0.34 120.40 128.49 3mgt s VAL 12 Ca -0.01 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 3mgt s VAL 12 Cb -0.15 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 3mgt s VAL 12 CO -0.04 0.22 1.18 -0.94 0.00 0.00 0.00 175.10 175.53 3mgt s SER 13 N 1.50 6.89 -0.62 3.32 1.04 -0.58 -0.72 113.70 124.52 3mgt s SER 13 Ca 0.01 2.42 0.06 0.00 0.48 0.00 0.00 55.95 58.91 3mgt s SER 13 Cb -0.15 -2.63 0.23 0.00 0.10 0.00 0.00 66.02 63.57 3mgt s SER 13 CO -0.09 -0.43 0.65 0.54 0.98 0.00 0.00 173.24 174.90 3mgt n ARG 14 N 0.71 2.06 -1.63 4.02 1.74 -1.26 -4.13 116.66 118.17 3mgt n ARG 14 Ca 0.01 -4.40 -0.50 0.00 -0.77 0.00 0.00 57.85 52.19 3mgt n ARG 14 Cb 0.44 -2.11 -0.05 0.00 -1.02 0.00 0.00 32.46 29.72 3mgt n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3mgt n PRO 15 N 1.25 1.58 -0.84 5.56 -0.02 -1.26 -0.41 135.00 140.86 3mgt n PRO 15 Ca 0.27 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3mgt n PRO 15 Cb 0.41 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3mgt n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgt n GLY 16 N 3.07 0.55 0.13 -1.23 0.00 -1.26 -4.80 105.19 101.65 3mgt n GLY 16 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3mgt n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgt n ARG 17 N -1.89 1.11 0.00 1.61 1.74 0.46 -5.12 116.66 114.57 3mgt n ARG 17 Ca 0.00 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 3mgt n ARG 17 Cb 0.04 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3mgt n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgt n GLY 18 N -1.25 -1.05 3.68 -0.13 0.00 -1.19 -4.97 105.19 100.29 3mgt n GLY 18 Ca 0.14 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 3mgt n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mgt n GLU 19 N 0.00 1.45 -1.98 1.61 -0.58 -1.26 -4.48 120.64 115.40 3mgt n GLU 19 Ca 0.00 0.53 -0.38 0.00 -0.42 0.00 0.00 57.16 56.89 3mgt n GLU 19 Cb 0.00 -2.34 0.02 0.00 -0.57 0.00 0.00 31.44 28.54 3mgt n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3mgt s PRO 20 N -2.60 3.50 0.26 3.49 0.02 -1.26 -4.59 135.00 133.81 3mgt s PRO 20 Ca 0.70 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 63.51 3mgt s PRO 20 Cb -0.45 -2.41 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 3mgt s PRO 20 CO 0.51 -0.86 1.21 0.50 -0.33 0.00 0.00 177.00 178.04 3mgt s ARG 21 N -2.71 4.49 -0.05 5.54 6.06 0.10 -4.86 118.95 127.52 3mgt s ARG 21 Ca 0.66 1.98 -0.01 0.00 -2.50 0.00 0.00 55.73 55.85 3mgt s ARG 21 Cb -0.36 -3.17 0.03 0.00 0.06 0.00 0.00 34.95 31.51 3mgt s ARG 21 CO 0.44 -0.04 0.02 0.12 -2.50 0.00 0.00 175.30 173.35 3mgt s PHE 22 N -0.72 0.36 -0.04 5.12 5.36 -1.26 -0.69 117.98 126.11 3mgt s PHE 22 Ca 0.49 0.03 0.06 0.00 -0.96 0.00 0.00 56.93 56.55 3mgt s PHE 22 Cb -0.35 -0.59 -0.01 0.00 -0.34 0.00 0.00 43.02 41.73 3mgt s PHE 22 CO 0.43 -0.23 -0.22 0.42 -1.46 0.00 0.00 175.22 174.16 3mgt s ILE 23 N 1.79 1.78 -0.04 3.12 -1.09 -0.24 -1.40 121.20 125.11 3mgt s ILE 23 Ca 0.01 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 3mgt s ILE 23 Cb -0.13 -1.50 0.00 0.00 -1.58 0.00 0.00 42.46 39.26 3mgt s ILE 23 CO -0.03 0.50 -0.14 0.00 -1.23 0.00 0.00 174.94 174.04 3mgt s ALA 24 N -0.25 1.27 0.03 9.38 0.00 0.14 -1.07 121.76 131.25 3mgt s ALA 24 Ca 0.01 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.45 3mgt s ALA 24 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3mgt s ALA 24 CO 0.02 0.21 -0.07 0.14 0.00 0.00 0.00 175.76 176.06 3mgt s VAL 25 N 0.16 0.50 -0.00 0.00 -7.23 -0.42 -0.48 120.40 112.91 3mgt s VAL 25 Ca -0.05 -0.80 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 3mgt s VAL 25 Cb -0.11 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.29 3mgt s VAL 25 CO 0.02 -0.22 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.52 3mgt s GLY 26 N -1.10 1.17 0.08 2.32 0.00 -0.73 -0.17 107.32 108.90 3mgt s GLY 26 Ca -0.06 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.68 3mgt s GLY 26 CO 0.00 -0.90 -0.18 -0.19 0.00 0.00 0.00 173.10 171.84 3mgt s TYR 27 N -0.61 1.53 -0.21 1.90 1.51 0.50 -0.69 117.35 121.27 3mgt s TYR 27 Ca 0.09 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 3mgt s TYR 27 Cb -0.09 -0.85 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 3mgt s TYR 27 CO -0.00 0.13 -0.12 0.08 -1.11 0.00 0.00 175.55 174.53 3mgt s VAL 28 N -1.18 2.58 0.00 0.71 1.01 0.12 -2.10 120.40 121.54 3mgt s VAL 28 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3mgt s VAL 28 Cb -0.10 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3mgt s VAL 28 CO 0.03 0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.98 3mgt n ASP 29 N 4.66 0.00 -1.95 3.32 8.00 -0.35 -0.86 116.55 129.36 3mgt n ASP 29 Ca -0.19 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.28 3mgt n ASP 29 Cb 0.49 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.91 3mgt n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mgt n ASP 30 N 4.15 4.95 -4.07 -2.24 8.00 -1.26 -4.85 116.55 121.22 3mgt n ASP 30 Ca 0.00 -3.11 -0.32 0.00 0.71 0.00 0.00 54.79 52.07 3mgt n ASP 30 Cb 0.00 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.21 3mgt n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgt s THR 31 N -2.84 1.95 0.41 -3.53 2.01 -0.04 -5.01 115.64 108.58 3mgt s THR 31 Ca 0.53 -1.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 3mgt s THR 31 Cb 0.42 -1.88 -0.08 0.00 0.01 0.00 0.00 72.50 70.97 3mgt s THR 31 CO 0.14 0.34 1.13 -1.58 -0.69 0.00 0.00 174.62 173.96 3mgt s GLN 32 N 1.29 4.06 0.00 4.92 0.74 -1.26 0.14 119.66 129.55 3mgt s GLN 32 Ca 0.01 1.73 0.00 0.00 0.05 0.00 0.00 55.36 57.15 3mgt s GLN 32 Cb -0.15 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.35 3mgt s GLN 32 CO -0.10 -0.29 0.00 1.97 -0.55 0.00 0.00 175.29 176.32 3mgt n PHE 33 N -0.02 0.00 -4.13 1.67 -1.74 0.13 -4.21 117.46 109.16 3mgt n PHE 33 Ca 0.05 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.85 3mgt n PHE 33 Cb 0.48 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.38 3mgt n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3mgt s VAL 34 N -0.69 0.41 0.03 1.97 -7.23 -1.22 0.01 120.40 113.68 3mgt s VAL 34 Ca 0.00 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 3mgt s VAL 34 Cb 0.00 -1.64 0.04 0.00 0.56 0.00 0.00 36.38 35.34 3mgt s VAL 34 CO 0.00 -0.89 0.44 0.00 -0.31 0.00 0.00 175.10 174.33 3mgt s ARG 35 N -3.90 0.92 -0.05 4.82 1.70 -0.66 -1.77 118.95 120.01 3mgt s ARG 35 Ca 0.11 -0.28 -0.03 0.00 -0.47 0.00 0.00 55.73 55.06 3mgt s ARG 35 Cb 0.07 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.89 3mgt s ARG 35 CO -0.07 -0.31 0.11 0.12 -1.08 0.00 0.00 175.30 174.08 3mgt s PHE 36 N -2.25 -0.12 -0.11 5.89 5.36 0.36 -0.53 117.98 126.58 3mgt s PHE 36 Ca -0.07 0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.26 3mgt s PHE 36 Cb -0.01 -0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.63 3mgt s PHE 36 CO -0.01 -0.11 -0.08 0.34 -1.46 0.00 0.00 175.22 173.89 3mgt s ASP 37 N 0.74 2.17 0.60 6.13 -1.08 -1.26 -0.68 116.67 123.29 3mgt s ASP 37 Ca -0.06 -0.31 0.37 0.00 -0.52 0.00 0.00 52.55 52.03 3mgt s ASP 37 Cb -0.08 -0.86 1.91 0.00 -1.46 0.00 0.00 42.92 42.43 3mgt s ASP 37 CO -0.03 -0.10 2.21 0.77 0.52 0.00 0.00 175.17 178.53 3mgt h SER 38 N 8.06 0.00 0.59 -0.34 4.64 -1.63 -2.23 113.55 122.64 3mgt h SER 38 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3mgt h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3mgt h SER 38 CO 0.42 0.03 -0.65 0.47 -0.87 0.00 0.00 176.83 176.23 3mgt n ASP 39 N -3.31 0.60 -4.84 4.97 9.92 -1.26 -4.93 116.55 117.70 3mgt n ASP 39 Ca -0.02 -0.14 -0.30 0.00 -0.53 0.00 0.00 54.79 53.80 3mgt n ASP 39 Cb 0.16 0.35 0.06 0.00 -0.64 0.00 0.00 41.12 41.04 3mgt n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mgt s ALA 40 N -3.09 2.65 0.03 2.24 0.00 -0.84 -5.01 121.76 117.74 3mgt s ALA 40 Ca 0.08 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 3mgt s ALA 40 Cb 0.16 -3.09 -0.19 0.00 0.00 0.00 0.00 23.12 20.00 3mgt s ALA 40 CO 0.73 -1.31 1.20 0.00 0.00 0.00 0.00 175.76 176.38 3mgt h ALA 41 N -0.78 0.17 -0.89 0.00 0.00 -1.92 -3.33 119.26 112.51 3mgt h ALA 41 Ca -0.45 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 54.07 3mgt h ALA 41 Cb 1.24 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3mgt h ALA 41 CO 0.61 0.33 0.52 0.66 0.00 0.00 0.00 179.25 181.36 3mgt h SER 42 N 0.02 0.73 -4.64 0.00 4.64 -1.94 -3.46 113.55 108.91 3mgt h SER 42 Ca -0.04 0.06 -0.41 0.00 -0.47 0.00 0.00 61.79 60.93 3mgt h SER 42 Cb 1.13 -0.08 0.07 0.00 -0.31 0.00 0.00 62.40 63.20 3mgt h SER 42 CO 0.10 0.39 -0.62 0.00 -0.87 0.00 0.00 176.83 175.83 3mgt n GLN 43 N -4.73 -5.29 -4.20 4.77 1.13 -1.25 -5.00 117.38 102.82 3mgt n GLN 43 Ca 0.16 0.91 -0.16 0.00 -1.94 0.00 0.00 57.00 55.97 3mgt n GLN 43 Cb 0.33 -5.80 -0.11 0.00 0.11 0.00 0.00 30.24 24.77 3mgt n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3mgt s ARG 44 N -5.78 0.90 0.23 -1.09 0.52 -1.26 -5.04 118.95 107.43 3mgt s ARG 44 Ca 0.34 -1.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.07 3mgt s ARG 44 Cb -0.15 -0.65 -0.10 0.00 0.52 0.00 0.00 34.95 34.57 3mgt s ARG 44 CO 0.42 0.11 1.44 1.41 0.02 0.00 0.00 175.30 178.70 3mgt s MET 45 N -2.71 4.28 0.05 3.54 -2.45 -1.26 -4.68 119.30 116.06 3mgt s MET 45 Ca 0.06 2.28 0.08 0.00 -1.25 0.00 0.00 55.69 56.85 3mgt s MET 45 Cb -0.04 -3.13 -0.03 0.00 1.25 0.00 0.00 34.83 32.89 3mgt s MET 45 CO 0.01 -0.42 -0.21 -1.21 1.05 0.00 0.00 175.02 174.24 3mgt s GLU 46 N -0.18 1.40 0.37 4.11 2.02 0.31 -4.90 118.70 121.84 3mgt s GLU 46 Ca 0.60 -0.99 -0.26 0.00 0.02 0.00 0.00 54.97 54.34 3mgt s GLU 46 Cb -0.41 -1.55 -0.09 0.00 0.10 0.00 0.00 34.13 32.18 3mgt s GLU 46 CO 0.41 0.39 1.14 -1.25 0.02 0.00 0.00 175.26 175.98 3mgt s PRO 47 N -1.28 4.21 0.00 0.39 0.04 -1.26 -1.65 135.00 135.44 3mgt s PRO 47 Ca 0.08 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3mgt s PRO 47 Cb -0.09 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3mgt s PRO 47 CO 0.02 -0.17 0.60 0.54 0.04 0.00 0.00 177.00 178.03 3mgt n ARG 48 N 0.31 0.89 -4.08 4.56 5.12 0.10 -4.87 116.66 118.68 3mgt n ARG 48 Ca 0.03 -0.76 -0.14 0.00 -1.93 0.00 0.00 57.85 55.05 3mgt n ARG 48 Cb 0.46 -0.70 -0.13 0.00 -1.16 0.00 0.00 32.46 30.94 3mgt n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mgt s ALA 49 N -0.32 0.44 0.38 7.54 0.00 -1.23 -4.66 121.76 123.91 3mgt s ALA 49 Ca 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.56 3mgt s ALA 49 Cb 0.00 -0.02 0.77 0.00 0.00 0.00 0.00 23.12 23.88 3mgt s ALA 49 CO 0.00 0.02 1.95 -1.00 0.00 0.00 0.00 175.76 176.74 3mgt h PRO 50 N 5.26 0.40 0.00 0.00 0.13 -1.94 -2.79 132.00 133.06 3mgt h PRO 50 Ca -0.31 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3mgt h PRO 50 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3mgt h PRO 50 CO 0.45 0.41 0.00 -2.67 -0.23 0.00 0.00 178.00 175.96 3mgt n TRP 51 N -4.34 0.00 0.42 1.56 4.27 -1.26 -2.68 117.44 115.41 3mgt n TRP 51 Ca 0.01 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.66 3mgt n TRP 51 Cb 0.20 -0.18 -0.05 0.00 -1.36 0.00 0.00 31.31 29.91 3mgt n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3mgt n ILE 52 N -1.18 0.00 0.25 -1.67 0.13 -1.06 -4.65 119.36 111.18 3mgt n ILE 52 Ca 0.15 -0.28 0.08 0.00 -1.10 0.00 0.00 62.75 61.60 3mgt n ILE 52 Cb 0.16 0.98 0.64 0.00 -0.84 0.00 0.00 39.64 40.58 3mgt n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3mgt h GLU 53 N 0.00 0.01 -0.58 9.51 5.08 -1.48 -2.74 114.58 124.38 3mgt h GLU 53 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mgt h GLU 53 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3mgt h GLU 53 CO 0.00 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.06 3mgt n GLN 54 N -4.54 3.32 -1.86 2.33 1.13 -1.26 -4.94 117.38 111.57 3mgt n GLN 54 Ca -0.03 -2.70 -0.36 0.00 -1.94 0.00 0.00 57.00 51.98 3mgt n GLN 54 Cb 0.10 -1.72 0.05 0.00 0.11 0.00 0.00 30.24 28.78 3mgt n GLN 54 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3mgt s GLU 55 N -1.62 2.76 1.04 -1.09 2.56 -1.04 -4.96 118.70 116.35 3mgt s GLU 55 Ca 0.45 1.81 -0.13 0.00 0.00 0.00 0.00 54.97 57.11 3mgt s GLU 55 Cb 0.28 -1.90 0.17 0.00 2.00 0.00 0.00 34.13 34.68 3mgt s GLU 55 CO 0.23 -1.37 0.80 0.41 -0.56 0.00 0.00 175.26 174.78 3mgt n GLY 56 N 0.46 -1.53 0.24 -1.50 0.00 -1.26 -4.82 105.19 96.79 3mgt n GLY 56 Ca 0.14 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.34 3mgt n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mgt h PRO 57 N -2.14 0.00 -0.47 1.61 0.11 -1.99 -2.58 132.00 126.55 3mgt h PRO 57 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3mgt h PRO 57 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3mgt h PRO 57 CO 0.42 0.11 0.28 1.49 -0.21 0.00 0.00 178.00 180.09 3mgt h GLU 58 N 0.00 0.63 0.12 1.05 4.22 -1.99 0.07 114.58 118.69 3mgt h GLU 58 Ca -0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 3mgt h GLU 58 Cb 0.20 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3mgt h GLU 58 CO 0.01 0.46 -0.07 -0.92 -2.18 0.00 0.00 179.01 176.32 3mgt h TYR 59 N 0.62 -0.18 -0.61 0.92 5.03 -1.81 -1.18 116.97 119.77 3mgt h TYR 59 Ca 0.17 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.37 3mgt h TYR 59 Cb -0.01 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 3mgt h TYR 59 CO -0.03 -0.11 -0.02 -1.49 -1.32 0.00 0.00 178.16 175.19 3mgt h TRP 60 N -0.19 1.18 -0.67 -3.82 4.06 -1.37 0.42 115.95 115.56 3mgt h TRP 60 Ca -0.01 -0.21 -0.02 0.00 2.06 0.00 0.00 58.89 60.70 3mgt h TRP 60 Cb 0.15 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 3mgt h TRP 60 CO -0.08 1.04 0.33 -0.44 -3.56 0.00 0.00 178.44 175.73 3mgt h ASP 61 N 0.98 0.88 0.27 -3.49 3.32 -0.96 0.09 116.42 117.51 3mgt h ASP 61 Ca 0.17 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3mgt h ASP 61 Cb 0.58 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3mgt h ASP 61 CO 0.03 0.76 -0.13 1.23 -1.72 0.00 0.00 179.24 179.41 3mgt h GLY 62 N 0.93 -0.37 1.24 2.75 0.00 -0.81 0.03 103.07 106.83 3mgt h GLY 62 Ca 0.23 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 3mgt h GLY 62 CO -0.03 -0.14 0.39 0.83 0.00 0.00 0.00 176.54 177.60 3mgt h GLU 63 N -0.44 1.00 -0.09 4.80 4.39 -0.82 -1.08 114.58 122.34 3mgt h GLU 63 Ca -0.04 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3mgt h GLU 63 Cb 0.33 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3mgt h GLU 63 CO 0.06 0.74 0.03 1.15 -1.16 0.00 0.00 179.01 179.82 3mgt h THR 64 N 1.01 1.18 -0.01 1.13 2.02 -0.83 -1.09 112.91 116.31 3mgt h THR 64 Ca 0.26 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3mgt h THR 64 Cb 0.03 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3mgt h THR 64 CO -0.04 0.15 -0.33 -0.09 0.37 0.00 0.00 175.52 175.58 3mgt h ARG 65 N -0.05 -0.46 -0.61 6.66 2.43 -0.54 -1.89 114.38 119.92 3mgt h ARG 65 Ca 0.03 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3mgt h ARG 65 Cb 0.22 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3mgt h ARG 65 CO -0.00 -0.30 0.31 0.87 -1.51 0.00 0.00 179.97 179.33 3mgt h LYS 66 N -0.47 0.87 0.00 0.20 1.57 -1.16 -2.64 116.57 114.92 3mgt h LYS 66 Ca 0.06 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3mgt h LYS 66 Cb 0.57 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3mgt h LYS 66 CO -0.28 0.68 -0.26 -0.24 -0.57 0.00 0.00 179.45 178.79 3mgt h VAL 67 N 0.83 1.15 -0.33 0.50 3.04 -1.02 -0.00 116.25 120.42 3mgt h VAL 67 Ca 0.21 -0.88 -0.17 0.00 -1.01 0.00 0.00 66.70 64.85 3mgt h VAL 67 Cb 0.09 1.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.85 3mgt h VAL 67 CO -0.03 0.25 -0.45 0.11 -1.01 0.00 0.00 177.57 176.44 3mgt h LYS 68 N 0.00 0.86 -0.58 4.17 1.57 -1.08 -0.95 116.57 120.55 3mgt h LYS 68 Ca -0.00 -0.49 -0.06 0.00 -1.87 0.00 0.00 60.65 58.23 3mgt h LYS 68 Cb 0.46 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3mgt h LYS 68 CO 0.03 1.13 0.13 0.00 -0.57 0.00 0.00 179.45 180.18 3mgt h ALA 69 N 0.79 0.77 -0.16 3.86 0.00 -1.02 -1.94 119.26 121.56 3mgt h ALA 69 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3mgt h ALA 69 Cb 1.04 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3mgt h ALA 69 CO 0.10 0.49 -0.14 0.45 0.00 0.00 0.00 179.25 180.15 3mgt h HIS 70 N 0.85 -0.35 -0.44 0.00 3.86 -0.89 -1.65 115.15 116.54 3mgt h HIS 70 Ca 0.18 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.50 3mgt h HIS 70 Cb 0.37 0.18 -0.08 0.00 1.06 0.00 0.00 27.41 28.93 3mgt h HIS 70 CO 0.03 -0.21 -0.12 1.03 0.86 0.00 0.00 177.93 179.52 3mgt h SER 71 N -0.16 -0.43 -0.43 2.45 0.87 -0.83 -1.95 113.55 113.08 3mgt h SER 71 Ca 0.10 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.69 3mgt h SER 71 Cb 0.31 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3mgt h SER 71 CO -0.25 -0.15 -0.14 1.56 -0.53 0.00 0.00 176.83 177.31 3mgt h GLN 72 N -0.01 0.86 -0.83 2.24 1.08 -1.06 -1.27 115.11 116.12 3mgt h GLN 72 Ca 0.21 -0.35 0.09 0.00 -1.45 0.00 0.00 58.65 57.16 3mgt h GLN 72 Cb 0.33 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.65 3mgt h GLN 72 CO -0.46 0.99 0.48 1.15 -0.95 0.00 0.00 178.83 180.04 3mgt h THR 73 N 0.69 0.92 -0.65 -0.54 2.02 -1.04 -1.69 112.91 112.61 3mgt h THR 73 Ca 0.10 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 3mgt h THR 73 Cb 0.69 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3mgt h THR 73 CO 0.05 0.15 0.10 0.45 0.37 0.00 0.00 175.52 176.64 3mgt h HIS 74 N 0.80 1.14 -0.90 3.16 3.86 -0.88 -0.85 115.15 121.49 3mgt h HIS 74 Ca 0.40 -0.15 0.08 0.00 -1.16 0.00 0.00 60.37 59.53 3mgt h HIS 74 Cb 0.35 -0.31 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 3mgt h HIS 74 CO -0.06 0.96 0.59 -0.09 0.86 0.00 0.00 177.93 180.19 3mgt h ARG 75 N 1.01 0.93 -0.07 2.45 2.43 -0.36 -1.23 114.38 119.54 3mgt h ARG 75 Ca 0.20 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3mgt h ARG 75 Cb 0.43 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3mgt h ARG 75 CO 0.01 0.62 -0.32 0.28 -1.51 0.00 0.00 179.97 179.05 3mgt h VAL 76 N 0.96 1.42 -0.99 0.20 2.07 -1.01 -3.29 116.25 115.61 3mgt h VAL 76 Ca 0.41 -1.71 0.16 0.00 0.82 0.00 0.00 66.70 66.37 3mgt h VAL 76 Cb 0.31 2.30 -0.09 0.00 -1.52 0.00 0.00 31.29 32.29 3mgt h VAL 76 CO -0.17 0.49 0.62 0.44 0.02 0.00 0.00 177.57 178.97 3mgt h ASP 77 N -0.14 0.82 -0.46 0.57 3.32 -0.40 -0.69 116.42 119.44 3mgt h ASP 77 Ca -0.02 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3mgt h ASP 77 Cb 0.96 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3mgt h ASP 77 CO 0.07 0.37 0.27 -0.07 -1.72 0.00 0.00 179.24 178.15 3mgt h LEU 78 N 0.84 0.42 -0.15 1.55 3.38 -1.32 0.76 115.31 120.79 3mgt h LEU 78 Ca 0.53 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.50 3mgt h LEU 78 Cb 0.72 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3mgt h LEU 78 CO -0.31 0.30 0.08 1.23 0.09 0.00 0.00 178.44 179.83 3mgt h GLY 79 N 0.53 0.23 0.91 0.83 0.00 -1.27 -1.54 103.07 102.77 3mgt h GLY 79 Ca 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.42 3mgt h GLY 79 CO -0.10 0.10 0.14 -0.84 0.00 0.00 0.00 176.54 175.85 3mgt h THR 80 N 0.14 1.01 -0.53 4.70 2.02 -0.78 -2.21 112.91 117.26 3mgt h THR 80 Ca 0.05 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3mgt h THR 80 Cb 0.08 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3mgt h THR 80 CO -0.01 0.05 0.12 -0.07 0.37 0.00 0.00 175.52 175.98 3mgt h LEU 81 N 0.29 0.77 -1.65 2.58 3.38 -0.83 -0.82 115.31 119.03 3mgt h LEU 81 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3mgt h LEU 81 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3mgt h LEU 81 CO -0.06 0.76 0.17 -0.09 0.09 0.00 0.00 178.44 179.31 3mgt h ARG 82 N 0.79 0.40 -0.03 1.13 2.43 -0.89 -2.52 114.38 115.69 3mgt h ARG 82 Ca 0.17 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3mgt h ARG 82 Cb 0.31 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3mgt h ARG 82 CO 0.00 0.29 -0.27 0.78 -1.51 0.00 0.00 179.97 179.27 3mgt h GLY 83 N 0.46 0.26 0.18 2.80 0.00 -0.70 -1.75 103.07 104.33 3mgt h GLY 83 Ca 0.11 -0.40 0.19 0.00 0.00 0.00 0.00 47.33 47.23 3mgt h GLY 83 CO -0.02 0.35 0.61 -0.97 0.00 0.00 0.00 176.54 176.52 3mgt h TYR 84 N -0.34 0.99 -0.70 5.60 0.05 -0.78 -1.56 116.97 120.23 3mgt h TYR 84 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3mgt h TYR 84 Cb 0.95 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.39 3mgt h TYR 84 CO 0.15 0.24 0.00 0.66 -1.05 0.00 0.00 178.16 178.16 3mgt n TYR 85 N -4.71 0.93 -3.93 4.88 4.01 -0.99 -4.96 117.16 112.40 3mgt n TYR 85 Ca 0.22 -0.49 -0.26 0.00 -0.16 0.00 0.00 57.90 57.21 3mgt n TYR 85 Cb 0.58 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.60 3mgt n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3mgt n ASN 86 N 1.59 -1.37 -4.94 7.72 5.03 -0.59 -4.95 115.26 117.76 3mgt n ASN 86 Ca 0.24 -0.94 -0.25 0.00 0.87 0.00 0.00 54.58 54.50 3mgt n ASN 86 Cb 0.61 -3.33 -0.02 0.00 -1.02 0.00 0.00 39.78 36.02 3mgt n ASN 86 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3mgt s GLN 87 N -6.48 3.50 0.91 3.52 -0.21 -0.67 -5.06 119.66 115.16 3mgt s GLN 87 Ca 0.17 -0.38 -0.10 0.00 0.02 0.00 0.00 55.36 55.06 3mgt s GLN 87 Cb -0.09 -2.74 0.14 0.00 1.00 0.00 0.00 33.01 31.32 3mgt s GLN 87 CO 0.87 0.27 1.12 0.45 -2.12 0.00 0.00 175.29 175.88 3mgt s SER 88 N -3.74 3.08 0.00 5.90 0.15 -1.26 -4.86 113.70 112.97 3mgt s SER 88 Ca 0.39 2.04 0.24 0.00 0.70 0.00 0.00 55.95 59.31 3mgt s SER 88 Cb -0.10 -2.52 0.28 0.00 -1.71 0.00 0.00 66.02 61.96 3mgt s SER 88 CO 0.33 -2.97 1.27 1.21 1.20 0.00 0.00 173.24 174.27 3mgt n GLU 89 N -4.14 1.05 0.00 5.44 2.13 -1.26 -4.06 120.64 119.81 3mgt n GLU 89 Ca 0.10 -0.80 0.11 0.00 0.66 0.00 0.00 57.16 57.24 3mgt n GLU 89 Cb 0.53 -1.48 0.11 0.00 0.27 0.00 0.00 31.44 30.87 3mgt n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mgt n ALA 90 N -0.28 3.92 -2.25 4.31 0.00 -1.26 -4.76 120.51 120.18 3mgt n ALA 90 Ca 0.10 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.72 3mgt n ALA 90 Cb 0.42 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 3mgt n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mgt s GLY 91 N -3.06 2.70 0.07 0.00 0.00 -1.26 -4.69 107.32 101.08 3mgt s GLY 91 Ca 0.09 0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 3mgt s GLY 91 CO 0.76 0.51 0.87 -0.45 0.00 0.00 0.00 173.10 174.79 3mgt s SER 92 N -1.10 7.35 0.21 1.64 0.15 -1.26 -4.74 113.70 115.96 3mgt s SER 92 Ca 0.30 1.62 0.02 0.00 0.70 0.00 0.00 55.95 58.59 3mgt s SER 92 Cb -0.20 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.53 3mgt s SER 92 CO 0.20 -0.04 0.02 -1.00 1.20 0.00 0.00 173.24 173.61 3mgt s HIS 93 N 0.07 1.43 -0.06 3.44 3.76 -1.26 -4.96 115.29 117.70 3mgt s HIS 93 Ca 0.43 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.36 3mgt s HIS 93 Cb -0.22 -0.83 0.01 0.00 1.11 0.00 0.00 32.58 32.66 3mgt s HIS 93 CO 0.26 -0.16 -0.14 0.99 -0.85 0.00 0.00 174.74 174.84 3mgt s THR 94 N -3.57 1.28 -0.12 1.30 2.01 -1.26 -1.53 115.64 113.74 3mgt s THR 94 Ca 0.29 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.72 3mgt s THR 94 Cb 0.06 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 3mgt s THR 94 CO 0.08 0.38 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 3mgt s VAL 95 N 0.50 2.73 0.07 3.82 1.01 0.54 -0.47 120.40 128.59 3mgt s VAL 95 Ca -0.13 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.16 3mgt s VAL 95 Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3mgt s VAL 95 CO 0.04 0.53 -0.24 -1.10 0.00 0.00 0.00 175.10 174.34 3mgt s GLN 96 N 0.39 1.49 -0.01 2.72 -0.21 -0.58 -0.38 119.66 123.09 3mgt s GLN 96 Ca -0.13 -1.09 0.01 0.00 0.02 0.00 0.00 55.36 54.17 3mgt s GLN 96 Cb -0.16 -1.71 0.00 0.00 1.00 0.00 0.00 33.01 32.14 3mgt s GLN 96 CO 0.06 0.43 -0.02 0.50 -2.12 0.00 0.00 175.29 174.14 3mgt s ARG 97 N -1.43 0.19 -0.02 2.91 3.52 -0.48 -0.64 118.95 122.99 3mgt s ARG 97 Ca 0.10 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 3mgt s ARG 97 Cb -0.10 -0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.08 3mgt s ARG 97 CO 0.03 0.01 -0.05 1.41 -0.81 0.00 0.00 175.30 175.89 3mgt s MET 98 N 0.14 0.58 0.12 5.12 -2.45 -0.40 -0.54 119.30 121.87 3mgt s MET 98 Ca -0.01 -0.16 -0.09 0.00 -1.25 0.00 0.00 55.69 54.18 3mgt s MET 98 Cb -0.03 -0.59 -0.00 0.00 1.25 0.00 0.00 34.83 35.46 3mgt s MET 98 CO -0.00 0.04 0.24 1.52 1.05 0.00 0.00 175.02 177.87 3mgt s TYR 99 N 0.28 0.26 -5.00 4.11 -0.85 -0.99 -1.43 117.35 113.73 3mgt s TYR 99 Ca -0.03 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.86 3mgt s TYR 99 Cb -0.07 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.22 3mgt s TYR 99 CO -0.00 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 173.81 3mgt n GLY 100 N -0.14 -0.78 3.17 5.49 0.00 -0.79 -0.75 105.19 111.39 3mgt n GLY 100 Ca -0.12 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 3mgt n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgt s ASP 102 N -1.59 4.46 0.17 0.00 1.01 -0.22 -0.67 116.67 119.82 3mgt s ASP 102 Ca -0.12 -0.14 0.11 0.00 0.71 0.00 0.00 52.55 53.11 3mgt s ASP 102 Cb -0.05 -1.02 -0.04 0.00 1.01 0.00 0.00 42.92 42.81 3mgt s ASP 102 CO 0.01 0.31 -0.22 0.68 0.21 0.00 0.00 175.17 176.16 3mgt s VAL 103 N -0.89 2.48 0.93 -1.27 -7.23 0.15 -0.14 120.40 114.43 3mgt s VAL 103 Ca 0.15 -1.88 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 3mgt s VAL 103 Cb -0.11 -2.17 0.23 0.00 0.56 0.00 0.00 36.38 34.89 3mgt s VAL 103 CO 0.04 -0.05 0.97 0.61 -0.31 0.00 0.00 175.10 176.37 3mgt n GLY 104 N 0.43 -2.24 0.26 2.32 0.00 -0.27 -1.71 105.19 103.98 3mgt n GLY 104 Ca -0.14 -1.57 0.17 0.00 0.00 0.00 0.00 46.02 44.49 3mgt n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mgt h SER 105 N -2.06 0.00 -0.26 1.61 0.02 -1.91 0.35 113.55 111.30 3mgt h SER 105 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3mgt h SER 105 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3mgt h SER 105 CO 0.23 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.02 3mgt n ASP 106 N -2.72 2.85 0.00 3.07 5.68 -1.26 -4.50 116.55 119.66 3mgt n ASP 106 Ca -0.02 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 3mgt n ASP 106 Cb 0.09 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3mgt n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3mgt n TRP 107 N 0.95 0.00 -3.46 2.11 7.02 0.12 -5.05 117.44 119.12 3mgt n TRP 107 Ca 0.13 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.31 3mgt n TRP 107 Cb 0.46 -0.40 -0.04 0.00 -2.42 0.00 0.00 31.31 28.90 3mgt n TRP 107 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3mgt s ARG 108 N -1.63 3.66 0.11 -0.99 1.70 -1.26 -4.74 118.95 115.80 3mgt s ARG 108 Ca 0.00 0.02 -0.36 0.00 -0.47 0.00 0.00 55.73 54.92 3mgt s ARG 108 Cb 0.00 -2.71 -0.16 0.00 -0.57 0.00 0.00 34.95 31.51 3mgt s ARG 108 CO 0.00 0.31 1.31 0.34 -1.08 0.00 0.00 175.30 176.18 3mgt n PHE 109 N -0.49 1.49 0.03 5.89 7.35 -1.26 -1.11 117.46 129.35 3mgt n PHE 109 Ca -0.02 0.64 -0.01 0.00 -0.76 0.00 0.00 57.45 57.30 3mgt n PHE 109 Cb 0.53 -2.33 -0.00 0.00 0.35 0.00 0.00 39.48 38.03 3mgt n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3mgt n LEU 110 N 2.43 1.21 -4.05 -2.13 7.94 0.80 -4.74 117.00 118.46 3mgt n LEU 110 Ca 0.18 0.16 -0.08 0.00 -1.11 0.00 0.00 56.01 55.16 3mgt n LEU 110 Cb 0.21 -0.39 -0.10 0.00 0.53 0.00 0.00 43.42 43.66 3mgt n LEU 110 CO 0.62 -0.66 -0.35 -0.13 -1.11 0.00 0.00 177.39 175.76 3mgt s ARG 111 N -2.13 0.53 0.03 1.96 0.52 -1.02 -4.98 118.95 113.86 3mgt s ARG 111 Ca -0.04 -1.02 0.04 0.00 -0.52 0.00 0.00 55.73 54.18 3mgt s ARG 111 Cb 0.01 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 3mgt s ARG 111 CO 0.06 -0.10 -0.11 0.20 0.02 0.00 0.00 175.30 175.38 3mgt s GLY 112 N -2.47 0.62 0.03 -3.53 0.00 -1.26 -1.06 107.32 99.65 3mgt s GLY 112 Ca -0.00 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.06 3mgt s GLY 112 CO -0.07 -0.67 -0.09 -0.19 0.00 0.00 0.00 173.10 172.07 3mgt s TYR 113 N -0.80 0.80 -0.30 1.90 1.51 0.12 -4.81 117.35 115.76 3mgt s TYR 113 Ca -0.01 -0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 55.64 3mgt s TYR 113 Cb -0.07 -0.48 0.18 0.00 -0.11 0.00 0.00 41.96 41.48 3mgt s TYR 113 CO 0.01 -0.03 0.75 -1.58 -1.11 0.00 0.00 175.55 173.59 3mgt s HIS 114 N -0.91 -1.25 0.06 2.71 2.46 -1.25 -1.89 115.29 115.21 3mgt s HIS 114 Ca -0.03 1.42 -0.19 0.00 0.47 0.00 0.00 55.06 56.73 3mgt s HIS 114 Cb -0.07 0.47 0.04 0.00 -0.13 0.00 0.00 32.58 32.89 3mgt s HIS 114 CO 0.01 -0.68 0.43 1.14 -2.47 0.00 0.00 174.74 173.17 3mgt s GLN 115 N 2.87 0.96 0.23 2.88 -2.07 -0.52 -0.23 119.66 123.78 3mgt s GLN 115 Ca 0.12 -0.39 0.10 0.00 -1.82 0.00 0.00 55.36 53.37 3mgt s GLN 115 Cb -0.13 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.17 3mgt s GLN 115 CO -0.18 -0.34 -0.19 0.71 -1.32 0.00 0.00 175.29 173.97 3mgt s TYR 116 N -2.67 2.09 0.04 9.60 1.51 0.50 -1.28 117.35 127.13 3mgt s TYR 116 Ca -0.04 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 3mgt s TYR 116 Cb -0.00 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 3mgt s TYR 116 CO -0.04 0.54 -0.06 0.00 -1.11 0.00 0.00 175.55 174.88 3mgt s ALA 117 N -2.38 0.43 -0.11 3.71 0.00 0.19 -1.77 121.76 121.83 3mgt s ALA 117 Ca 0.24 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3mgt s ALA 117 Cb -0.05 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3mgt s ALA 117 CO 0.11 -0.08 -0.12 -0.47 0.00 0.00 0.00 175.76 175.19 3mgt s TYR 118 N -1.54 1.80 -1.55 0.00 5.04 -0.18 -1.52 117.35 119.40 3mgt s TYR 118 Ca -0.11 -0.88 -0.10 0.00 -2.44 0.00 0.00 57.07 53.54 3mgt s TYR 118 Cb -0.09 -1.35 0.08 0.00 0.35 0.00 0.00 41.96 40.95 3mgt s TYR 118 CO -0.00 -0.50 0.69 -0.25 -1.34 0.00 0.00 175.55 174.15 3mgt n ASP 119 N 4.46 -2.43 0.00 4.32 8.00 0.38 -2.49 116.55 128.80 3mgt n ASP 119 Ca -0.17 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3mgt n ASP 119 Cb 0.51 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 3mgt n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgt n GLY 120 N -1.67 1.28 3.39 0.44 0.00 -1.26 -5.02 105.19 102.35 3mgt n GLY 120 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3mgt n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mgt s LYS 121 N -0.48 1.44 0.02 1.61 -2.85 -1.04 -5.07 119.74 113.37 3mgt s LYS 121 Ca 0.00 -1.33 -0.39 0.00 -1.00 0.00 0.00 55.97 53.25 3mgt s LYS 121 Cb 0.00 -1.92 -0.19 0.00 -2.06 0.00 0.00 37.83 33.67 3mgt s LYS 121 CO 0.00 0.45 1.21 -0.25 0.10 0.00 0.00 175.35 176.87 3mgt n ASP 122 N 0.95 0.77 0.00 0.03 8.00 -1.26 -1.01 116.55 124.03 3mgt n ASP 122 Ca -0.18 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.46 3mgt n ASP 122 Cb 0.53 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 3mgt n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mgt n TYR 123 N 2.08 0.00 -4.19 1.24 9.36 -0.73 -4.69 117.16 120.23 3mgt n TYR 123 Ca 0.20 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.25 3mgt n TYR 123 Cb 0.12 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.71 3mgt n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3mgt s ILE 124 N -0.78 0.78 -0.07 2.97 2.07 -1.23 -1.73 121.20 123.22 3mgt s ILE 124 Ca 0.00 -0.93 -0.04 0.00 -1.41 0.00 0.00 60.65 58.27 3mgt s ILE 124 Cb 0.00 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.86 3mgt s ILE 124 CO 0.00 -0.14 0.16 0.00 -1.91 0.00 0.00 174.94 173.05 3mgt s ALA 125 N -0.97 -0.36 0.02 1.50 0.00 -0.81 -0.37 121.76 120.78 3mgt s ALA 125 Ca -0.03 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 3mgt s ALA 125 Cb -0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 3mgt s ALA 125 CO 0.01 -0.12 1.36 -1.17 0.00 0.00 0.00 175.76 175.84 3mgt s LEU 126 N 0.69 4.33 0.94 0.00 2.96 0.67 -0.58 118.68 127.69 3mgt s LEU 126 Ca -0.05 2.12 -0.12 0.00 -0.22 0.00 0.00 54.13 55.85 3mgt s LEU 126 Cb -0.07 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.21 3mgt s LEU 126 CO -0.04 -0.67 1.10 -0.54 -1.32 0.00 0.00 176.35 174.88 3mgt s LYS 127 N 2.03 0.89 0.45 1.98 1.02 -0.51 -4.57 119.74 121.02 3mgt s LYS 127 Ca 0.63 0.55 0.11 0.00 0.02 0.00 0.00 55.97 57.28 3mgt s LYS 127 Cb -0.32 -1.79 1.02 0.00 -0.52 0.00 0.00 37.83 36.23 3mgt s LYS 127 CO 0.27 -2.43 2.08 1.49 -0.92 0.00 0.00 175.35 175.84 3mgt h GLU 128 N -1.67 0.26 0.00 1.68 4.81 -1.89 -0.44 114.58 117.33 3mgt h GLU 128 Ca -0.52 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3mgt h GLU 128 Cb 1.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3mgt h GLU 128 CO 0.58 0.21 0.00 -0.40 -0.73 0.00 0.00 179.01 178.67 3mgt n ASP 129 N -4.47 0.00 -3.41 1.04 5.68 -1.26 -4.81 116.55 109.33 3mgt n ASP 129 Ca -0.00 0.27 -0.25 0.00 -0.50 0.00 0.00 54.79 54.32 3mgt n ASP 129 Cb 0.11 -0.38 0.03 0.00 -1.14 0.00 0.00 41.12 39.73 3mgt n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3mgt n LEU 130 N -1.38 -2.40 0.00 -2.12 4.77 -0.17 -4.77 117.00 110.93 3mgt n LEU 130 Ca 0.05 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3mgt n LEU 130 Cb 0.13 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.58 3mgt n LEU 130 CO 0.11 0.32 0.00 0.54 -1.33 0.00 0.00 177.39 177.03 3mgt n ARG 131 N -4.22 3.62 -4.48 3.23 1.74 -1.26 -4.65 116.66 110.64 3mgt n ARG 131 Ca -0.03 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 3mgt n ARG 131 Cb 0.57 -0.30 -0.10 0.00 -1.02 0.00 0.00 32.46 31.60 3mgt n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mgt s SER 132 N 0.00 2.60 0.02 0.55 1.04 -1.26 -4.94 113.70 111.71 3mgt s SER 132 Ca 0.00 -1.44 0.06 0.00 0.48 0.00 0.00 55.95 55.04 3mgt s SER 132 Cb 0.00 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 3mgt s SER 132 CO 0.00 -0.67 -0.17 0.26 0.98 0.00 0.00 173.24 173.64 3mgt s TRP 133 N -3.23 1.47 -0.33 5.02 0.52 -1.26 -1.43 118.94 119.70 3mgt s TRP 133 Ca 0.33 -0.33 -0.12 0.00 0.02 0.00 0.00 56.10 56.00 3mgt s TRP 133 Cb 0.07 -0.90 -0.02 0.00 -1.15 0.00 0.00 33.47 31.47 3mgt s TRP 133 CO 0.15 0.03 0.22 0.99 0.02 0.00 0.00 176.95 178.35 3mgt s THR 134 N -0.65 5.12 -0.19 2.01 2.01 0.25 -4.90 115.64 119.29 3mgt s THR 134 Ca 0.05 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 3mgt s THR 134 Cb -0.07 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3mgt s THR 134 CO 0.01 0.03 0.02 0.00 -0.69 0.00 0.00 174.62 173.99 3mgt s ALA 135 N 1.70 3.16 0.03 7.40 0.00 -1.26 -1.92 121.76 130.87 3mgt s ALA 135 Ca 0.06 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 3mgt s ALA 135 Cb -0.17 -1.82 -0.17 0.00 0.00 0.00 0.00 23.12 20.95 3mgt s ALA 135 CO 0.10 -0.04 1.46 0.00 0.00 0.00 0.00 175.76 177.28 3mgt h ALA 136 N 7.22 -0.15 -3.03 0.00 0.00 -1.61 -3.46 119.26 118.22 3mgt h ALA 136 Ca -0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3mgt h ALA 136 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3mgt h ALA 136 CO 0.63 -0.47 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 3mgt n ASP 137 N -5.05 0.15 -0.00 0.00 5.68 -1.26 -5.01 116.55 111.06 3mgt n ASP 137 Ca -0.08 -0.44 -0.04 0.00 -0.50 0.00 0.00 54.79 53.72 3mgt n ASP 137 Cb 0.18 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.35 3mgt n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3mgt h MET 138 N 0.00 0.52 -0.22 0.11 2.86 -1.99 -1.81 114.93 114.40 3mgt h MET 138 Ca 0.00 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3mgt h MET 138 Cb 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3mgt h MET 138 CO 0.00 0.73 0.06 0.00 1.06 0.00 0.00 176.91 178.75 3mgt h ALA 139 N 1.28 0.28 0.00 6.32 0.00 -1.96 -2.88 119.26 122.31 3mgt h ALA 139 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3mgt h ALA 139 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3mgt h ALA 139 CO 0.05 -0.07 -0.33 0.00 0.00 0.00 0.00 179.25 178.89 3mgt h ALA 140 N 0.87 1.19 0.00 0.00 0.00 -1.83 -2.31 119.26 117.18 3mgt h ALA 140 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3mgt h ALA 140 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3mgt h ALA 140 CO -0.00 0.41 -0.42 1.96 0.00 0.00 0.00 179.25 181.20 3mgt h GLN 141 N 0.00 0.00 -0.25 0.00 4.20 -1.19 0.69 115.11 118.56 3mgt h GLN 141 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3mgt h GLN 141 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3mgt h GLN 141 CO 0.04 0.42 0.01 1.15 -0.67 0.00 0.00 178.83 179.78 3mgt h THR 142 N 0.00 1.25 -0.59 -0.54 2.02 -1.20 -1.20 112.91 112.65 3mgt h THR 142 Ca -0.00 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 3mgt h THR 142 Cb 0.88 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3mgt h THR 142 CO 0.05 0.28 0.17 0.74 0.37 0.00 0.00 175.52 177.13 3mgt h THR 143 N 0.21 1.23 -0.27 3.16 2.02 -1.38 -2.41 112.91 115.48 3mgt h THR 143 Ca 0.07 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.46 3mgt h THR 143 Cb 0.40 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3mgt h THR 143 CO 0.01 0.31 0.08 0.50 0.37 0.00 0.00 175.52 176.79 3mgt h LYS 144 N 0.88 0.19 -0.45 6.66 3.64 -0.56 -0.01 116.57 126.91 3mgt h LYS 144 Ca 0.19 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3mgt h LYS 144 Cb 0.28 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3mgt h LYS 144 CO -0.00 0.12 0.11 0.45 -2.27 0.00 0.00 179.45 177.85 3mgt h HIS 145 N 0.19 0.77 -0.63 1.91 3.86 -1.14 -1.25 115.15 118.85 3mgt h HIS 145 Ca 0.12 -0.09 0.13 0.00 -1.16 0.00 0.00 60.37 59.36 3mgt h HIS 145 Cb 0.10 -0.22 -0.09 0.00 1.06 0.00 0.00 27.41 28.26 3mgt h HIS 145 CO -0.14 0.71 0.11 -0.22 0.86 0.00 0.00 177.93 179.25 3mgt h LYS 146 N 0.61 0.22 0.00 2.45 3.64 -0.97 -1.57 116.57 120.95 3mgt h LYS 146 Ca 0.14 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 3mgt h LYS 146 Cb 0.33 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3mgt h LYS 146 CO 0.00 0.15 -0.80 -1.49 -2.27 0.00 0.00 179.45 175.03 3mgt h TRP 147 N 0.23 0.00 -0.27 1.91 4.06 -0.75 -3.04 115.95 118.09 3mgt h TRP 147 Ca 0.34 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.23 3mgt h TRP 147 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 3mgt h TRP 147 CO -0.28 0.78 -0.06 0.93 -3.56 0.00 0.00 178.44 176.25 3mgt h GLU 148 N 0.00 0.53 -0.14 0.49 5.08 -0.89 -0.96 114.58 118.69 3mgt h GLU 148 Ca -0.01 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3mgt h GLU 148 Cb 1.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3mgt h GLU 148 CO 0.10 0.73 -0.04 0.00 -1.00 0.00 0.00 179.01 178.81 3mgt h ALA 149 N 0.78 1.68 -0.62 3.43 0.00 -1.31 -2.26 119.26 120.96 3mgt h ALA 149 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mgt h ALA 149 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3mgt h ALA 149 CO 0.03 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3mgt n ALA 150 N -2.50 2.40 -3.85 0.00 0.00 -1.15 -4.95 120.51 110.45 3mgt n ALA 150 Ca -0.01 -1.12 -0.26 0.00 0.00 0.00 0.00 53.44 52.06 3mgt n ALA 150 Cb 0.19 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.71 3mgt n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mgt n HIS 151 N 1.41 -1.93 -0.19 0.00 -0.00 -0.85 -4.88 115.22 108.77 3mgt n HIS 151 Ca 0.22 0.83 -0.05 0.00 -0.00 0.00 0.00 57.72 58.72 3mgt n HIS 151 Cb 0.56 -4.03 0.12 0.00 -0.00 0.00 0.00 29.99 26.63 3mgt n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3mgt h VAL 152 N -1.89 1.25 -0.77 1.59 2.07 -1.44 -3.06 116.25 113.99 3mgt h VAL 152 Ca -0.61 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 3mgt h VAL 152 Cb 1.37 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3mgt h VAL 152 CO 0.62 0.34 0.45 0.00 0.02 0.00 0.00 177.57 179.00 3mgt h ALA 153 N 1.22 0.98 -0.41 1.67 0.00 -1.90 -2.13 119.26 118.69 3mgt h ALA 153 Ca 0.20 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3mgt h ALA 153 Cb 0.34 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3mgt h ALA 153 CO 0.00 0.47 0.11 0.93 0.00 0.00 0.00 179.25 180.76 3mgt h GLU 154 N 1.06 0.25 -0.30 0.00 3.07 -1.80 0.17 114.58 117.02 3mgt h GLU 154 Ca 0.27 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 3mgt h GLU 154 Cb -0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 3mgt h GLU 154 CO -0.05 0.16 0.01 1.96 -1.40 0.00 0.00 179.01 179.70 3mgt h GLN 155 N 0.25 0.52 -0.81 2.33 4.20 -1.55 -1.99 115.11 118.07 3mgt h GLN 155 Ca 0.19 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3mgt h GLN 155 Cb 0.21 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3mgt h GLN 155 CO -0.23 0.66 0.39 -0.07 -0.67 0.00 0.00 178.83 178.91 3mgt h LEU 156 N 0.33 1.04 -0.35 1.46 3.38 -1.09 -2.31 115.31 117.77 3mgt h LEU 156 Ca 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3mgt h LEU 156 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3mgt h LEU 156 CO 0.01 0.88 0.21 -0.09 0.09 0.00 0.00 178.44 179.54 3mgt h ARG 157 N 1.14 0.41 -0.64 1.13 2.43 -0.48 0.38 114.38 118.75 3mgt h ARG 157 Ca 0.28 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 3mgt h ARG 157 Cb 0.11 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3mgt h ARG 157 CO -0.04 0.27 0.37 0.00 -1.51 0.00 0.00 179.97 179.07 3mgt h ALA 158 N 1.15 0.84 -0.10 2.80 0.00 -0.98 -0.92 119.26 122.06 3mgt h ALA 158 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mgt h ALA 158 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mgt h ALA 158 CO -0.06 0.08 0.02 -0.92 0.00 0.00 0.00 179.25 178.38 3mgt h TYR 159 N 0.71 0.17 0.00 0.00 3.20 -1.07 -0.21 116.97 119.78 3mgt h TYR 159 Ca 0.27 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 3mgt h TYR 159 Cb 0.10 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3mgt h TYR 159 CO -0.07 0.33 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.48 3mgt h LEU 160 N -0.04 0.00 0.00 2.82 3.38 -0.57 0.34 115.31 121.24 3mgt h LEU 160 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mgt h LEU 160 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3mgt h LEU 160 CO 0.00 0.23 -1.42 -0.62 0.09 0.00 0.00 178.44 176.72 3mgt n GLU 161 N -4.18 0.41 0.00 1.13 1.02 -0.38 -3.99 120.64 114.65 3mgt n GLU 161 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3mgt n GLU 161 Cb 0.29 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3mgt n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mgt n GLY 162 N 1.33 0.25 0.35 0.62 0.00 -0.09 -4.67 105.19 102.99 3mgt n GLY 162 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3mgt n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgt h THR 163 N 0.00 0.92 -0.24 2.61 1.03 -1.68 0.27 112.91 115.83 3mgt h THR 163 Ca 0.00 -0.33 0.05 0.00 -0.01 0.00 0.00 66.41 66.12 3mgt h THR 163 Cb 0.00 -0.12 -0.05 0.00 -1.07 0.00 0.00 68.15 66.91 3mgt h THR 163 CO 0.00 0.18 -0.08 0.00 -0.01 0.00 0.00 175.52 175.60 3mgt h VAL 165 N -0.04 1.27 -0.52 0.00 2.07 -1.49 -1.98 116.25 115.55 3mgt h VAL 165 Ca 0.12 -0.86 0.10 0.00 0.82 0.00 0.00 66.70 66.88 3mgt h VAL 165 Cb 0.22 1.63 -0.11 0.00 -1.52 0.00 0.00 31.29 31.51 3mgt h VAL 165 CO -0.27 0.25 -0.25 -0.08 0.02 0.00 0.00 177.57 177.24 3mgt h GLU 166 N -0.10 -0.12 0.03 1.57 4.81 0.00 -1.28 114.58 119.49 3mgt h GLU 166 Ca 0.03 0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.04 3mgt h GLU 166 Cb 0.39 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3mgt h GLU 166 CO 0.01 -0.08 -1.05 -1.49 -0.73 0.00 0.00 179.01 175.67 3mgt h TRP 167 N -0.13 0.13 -0.42 0.92 4.06 -0.74 -2.14 115.95 117.63 3mgt h TRP 167 Ca 0.23 -0.09 0.07 0.00 2.06 0.00 0.00 58.89 61.17 3mgt h TRP 167 Cb 0.50 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.59 3mgt h TRP 167 CO -0.53 1.06 0.05 1.25 -3.56 0.00 0.00 178.44 176.70 3mgt h LEU 168 N 0.02 -0.07 -0.16 -4.49 5.85 -1.06 0.90 115.31 116.30 3mgt h LEU 168 Ca -0.04 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3mgt h LEU 168 Cb 1.80 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.91 3mgt h LEU 168 CO 0.15 -0.00 -0.19 0.03 -0.34 0.00 0.00 178.44 178.08 3mgt h ARG 169 N 0.17 -0.22 -0.81 1.25 3.08 -1.03 -0.89 114.38 115.92 3mgt h ARG 169 Ca 0.21 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.31 3mgt h ARG 169 Cb 0.28 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3mgt h ARG 169 CO -0.31 -0.15 0.52 -0.09 -1.07 0.00 0.00 179.97 178.87 3mgt h ARG 170 N -0.23 0.97 -0.47 0.04 2.43 -0.70 -1.96 114.38 114.45 3mgt h ARG 170 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3mgt h ARG 170 Cb 0.39 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3mgt h ARG 170 CO -0.29 0.64 0.16 1.88 -1.51 0.00 0.00 179.97 180.85 3mgt h TYR 171 N 1.00 0.74 -0.90 2.20 0.05 -0.45 -0.15 116.97 119.46 3mgt h TYR 171 Ca 0.33 -0.07 0.11 0.00 0.05 0.00 0.00 58.73 59.15 3mgt h TYR 171 Cb 0.02 -0.22 -0.07 0.00 1.01 0.00 0.00 36.73 37.48 3mgt h TYR 171 CO -0.03 0.65 0.58 -0.07 -1.05 0.00 0.00 178.16 178.24 3mgt h LEU 172 N 0.62 0.79 0.06 3.88 3.38 -0.70 0.24 115.31 123.59 3mgt h LEU 172 Ca 0.15 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3mgt h LEU 172 Cb 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3mgt h LEU 172 CO -0.01 0.45 -0.03 -0.33 0.09 0.00 0.00 178.44 178.61 3mgt h GLU 173 N 0.86 -0.08 -0.14 1.13 5.08 -0.98 -2.38 114.58 118.07 3mgt h GLU 173 Ca 0.43 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.74 3mgt h GLU 173 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3mgt h GLU 173 CO -0.19 0.50 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.24 3mgt h ASN 174 N -0.79 0.21 -0.51 1.42 -0.26 -0.76 -2.66 115.58 112.23 3mgt h ASN 174 Ca -0.01 -0.05 -0.21 0.00 -0.56 0.00 0.00 56.30 55.48 3mgt h ASN 174 Cb 0.62 -0.06 -0.12 0.00 -1.06 0.00 0.00 38.32 37.70 3mgt h ASN 174 CO 0.01 0.40 0.13 0.61 -1.06 0.00 0.00 177.43 177.53 3mgt n GLY 175 N -0.79 4.43 0.37 2.83 0.00 0.83 -4.76 105.19 108.11 3mgt n GLY 175 Ca -0.01 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 45.03 3mgt n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3mgt h LYS 176 N 1.46 0.65 -0.32 1.61 2.10 -1.05 0.66 116.57 121.69 3mgt h LYS 176 Ca 0.26 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.86 3mgt h LYS 176 Cb 1.95 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 33.11 3mgt h LYS 176 CO 0.54 0.43 0.17 1.49 -2.00 0.00 0.00 179.45 180.08 3mgt h GLU 177 N 0.67 0.43 0.00 0.07 4.81 -1.86 -0.90 114.58 117.80 3mgt h GLU 177 Ca 0.51 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.46 3mgt h GLU 177 Cb 0.90 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 3mgt h GLU 177 CO -0.27 0.32 -1.47 2.41 -0.73 0.00 0.00 179.01 179.27 3mgt n THR 178 N -4.45 1.51 0.32 0.32 -1.04 0.89 -4.32 114.28 107.51 3mgt n THR 178 Ca 0.02 -0.07 0.12 0.00 -2.04 0.00 0.00 64.05 62.08 3mgt n THR 178 Cb 0.10 -2.08 0.20 0.00 -1.82 0.00 0.00 70.33 66.72 3mgt n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3mgt h LEU 179 N -1.00 0.00 -3.28 -4.42 3.38 0.08 -3.26 115.31 106.81 3mgt h LEU 179 Ca -0.36 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3mgt h LEU 179 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3mgt h LEU 179 CO -0.22 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.32 3mgt n GLN 180 N -2.77 3.33 -3.49 1.13 6.02 -0.34 -4.99 117.38 116.28 3mgt n GLN 180 Ca 0.04 -2.84 -0.30 0.00 -0.01 0.00 0.00 57.00 53.89 3mgt n GLN 180 Cb 0.50 -1.87 -0.04 0.00 1.02 0.00 0.00 30.24 29.85 3mgt n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3mgt s ARG 181 N -2.59 3.65 -0.22 -1.09 1.70 -1.23 -4.98 118.95 114.17 3mgt s ARG 181 Ca 0.43 -0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.70 3mgt s ARG 181 Cb 0.33 -2.72 0.04 0.00 -0.57 0.00 0.00 34.95 32.03 3mgt s ARG 181 CO 0.12 0.32 -0.14 0.99 -1.08 0.00 0.00 175.30 175.51 3mgt s THR 182 N -1.89 2.23 -0.54 4.99 2.01 -1.26 -4.69 115.64 116.48 3mgt s THR 182 Ca 0.43 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 3mgt s THR 182 Cb -0.11 -2.13 0.11 0.00 0.01 0.00 0.00 72.50 70.38 3mgt s THR 182 CO 0.27 0.24 0.53 -1.81 -0.69 0.00 0.00 174.62 173.16 3mgt s ASP 183 N 1.21 6.18 0.38 3.53 1.01 -0.54 -4.91 116.67 123.54 3mgt s ASP 183 Ca -0.02 -1.61 -0.28 0.00 0.71 0.00 0.00 52.55 51.36 3mgt s ASP 183 Cb -0.17 -2.23 -0.10 0.00 1.01 0.00 0.00 42.92 41.43 3mgt s ASP 183 CO -0.08 -0.87 1.44 0.00 0.21 0.00 0.00 175.17 175.86 3mgt s ALA 184 N 1.86 3.50 0.37 5.23 0.00 -1.26 -1.03 121.76 130.43 3mgt s ALA 184 Ca 0.05 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 3mgt s ALA 184 Cb -0.28 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.16 3mgt s ALA 184 CO 0.05 -0.99 1.48 -1.25 0.00 0.00 0.00 175.76 175.04 3mgt s PRO 185 N -2.09 4.13 -0.18 0.00 0.04 -1.26 -4.59 135.00 131.05 3mgt s PRO 185 Ca 0.53 2.54 -0.20 0.00 0.04 0.00 0.00 61.00 63.91 3mgt s PRO 185 Cb -0.44 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 3mgt s PRO 185 CO 0.60 -0.51 0.60 0.15 0.04 0.00 0.00 177.00 177.88 3mgt s LYS 186 N -2.01 4.24 0.04 4.56 3.01 0.67 -4.82 119.74 125.43 3mgt s LYS 186 Ca 0.53 0.59 0.06 0.00 -1.01 0.00 0.00 55.97 56.14 3mgt s LYS 186 Cb -0.46 -3.55 -0.03 0.00 -1.01 0.00 0.00 37.83 32.77 3mgt s LYS 186 CO 0.62 -0.17 -0.15 0.95 0.51 0.00 0.00 175.35 177.11 3mgt s THR 187 N 1.67 3.04 0.29 2.17 -4.23 -1.26 -0.07 115.64 117.25 3mgt s THR 187 Ca 0.28 -1.12 -0.18 0.00 -1.18 0.00 0.00 61.69 59.49 3mgt s THR 187 Cb -0.16 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.39 3mgt s THR 187 CO 0.11 0.31 0.66 -1.38 -0.54 0.00 0.00 174.62 173.78 3mgt s HIS 188 N -0.98 0.02 0.02 3.99 -3.43 -1.12 -5.00 115.29 108.79 3mgt s HIS 188 Ca 0.16 -0.47 0.06 0.00 -0.80 0.00 0.00 55.06 54.01 3mgt s HIS 188 Cb -0.11 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 3mgt s HIS 188 CO 0.07 -1.21 -0.17 1.41 -2.00 0.00 0.00 174.74 172.84 3mgt s MET 189 N -3.74 1.21 0.15 -0.38 1.75 -1.26 -0.42 119.30 116.60 3mgt s MET 189 Ca 0.15 -0.76 0.10 0.00 -1.25 0.00 0.00 55.69 53.93 3mgt s MET 189 Cb -0.04 -1.23 -0.04 0.00 2.84 0.00 0.00 34.83 36.35 3mgt s MET 189 CO 0.08 0.32 -0.23 0.95 -0.65 0.00 0.00 175.02 175.50 3mgt s THR 190 N -0.68 2.51 -0.15 10.11 -4.23 -0.23 -4.97 115.64 118.00 3mgt s THR 190 Ca 0.05 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 3mgt s THR 190 Cb -0.08 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.64 3mgt s THR 190 CO 0.01 0.03 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.78 3mgt s HIS 191 N -1.28 1.60 -0.09 3.99 2.46 -1.26 -1.49 115.29 119.21 3mgt s HIS 191 Ca 0.18 -0.98 0.00 0.00 0.47 0.00 0.00 55.06 54.73 3mgt s HIS 191 Cb -0.10 -1.27 0.02 0.00 -0.13 0.00 0.00 32.58 31.11 3mgt s HIS 191 CO 0.09 -0.59 -0.08 -1.01 -2.47 0.00 0.00 174.74 170.68 3mgt s HIS 192 N 1.67 1.36 -0.06 3.88 3.76 -0.62 -4.96 115.29 120.31 3mgt s HIS 192 Ca 0.02 -0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 54.02 3mgt s HIS 192 Cb -0.15 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.38 3mgt s HIS 192 CO -0.08 -0.42 1.47 0.00 -0.85 0.00 0.00 174.74 174.86 3mgt s ALA 193 N 1.44 3.62 0.00 -1.40 0.00 -1.26 0.44 121.76 124.60 3mgt s ALA 193 Ca -0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3mgt s ALA 193 Cb -0.13 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3mgt s ALA 193 CO -0.05 -1.17 0.70 0.28 0.00 0.00 0.00 175.76 175.53 3mgt n VAL 194 N 5.14 0.00 -2.53 0.00 0.31 -0.33 -4.90 118.33 116.02 3mgt n VAL 194 Ca 0.15 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.67 3mgt n VAL 194 Cb 0.43 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 3mgt n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3mgt n SER 195 N -1.90 0.65 -0.03 4.52 3.41 -1.21 -5.01 113.62 114.05 3mgt n SER 195 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3mgt n SER 195 Cb 0.00 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 64.79 3mgt n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mgt n ASP 196 N 0.00 0.10 -0.13 4.04 5.68 -1.26 -3.81 116.55 121.17 3mgt n ASP 196 Ca 0.00 -0.68 0.02 0.00 -0.50 0.00 0.00 54.79 53.64 3mgt n ASP 196 Cb 0.00 -0.11 0.03 0.00 -1.14 0.00 0.00 41.12 39.91 3mgt n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mgt n HIS 197 N -1.05 0.00 -3.60 2.11 1.44 -1.26 -4.93 115.22 107.93 3mgt n HIS 197 Ca 0.19 -0.39 -0.13 0.00 -2.01 0.00 0.00 57.72 55.39 3mgt n HIS 197 Cb 0.18 -0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.18 3mgt n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3mgt s GLU 198 N -0.99 1.01 -0.01 -1.40 2.02 -1.25 -2.81 118.70 115.28 3mgt s GLU 198 Ca 0.08 -0.33 -0.11 0.00 0.02 0.00 0.00 54.97 54.62 3mgt s GLU 198 Cb 0.07 0.46 0.01 0.00 0.10 0.00 0.00 34.13 34.77 3mgt s GLU 198 CO 0.01 -0.37 0.23 0.00 0.02 0.00 0.00 175.26 175.15 3mgt s ALA 199 N -2.65 -0.58 -0.18 5.21 0.00 -0.51 -1.19 121.76 121.86 3mgt s ALA 199 Ca -0.04 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 3mgt s ALA 199 Cb -0.00 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3mgt s ALA 199 CO -0.03 -0.24 0.44 0.99 0.00 0.00 0.00 175.76 176.92 3mgt s THR 200 N -1.35 5.18 -0.32 0.00 2.01 0.17 -0.61 115.64 120.72 3mgt s THR 200 Ca -0.14 0.81 -0.09 0.00 0.31 0.00 0.00 61.69 62.58 3mgt s THR 200 Cb -0.06 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.68 3mgt s THR 200 CO 0.03 0.25 0.14 -0.22 -0.69 0.00 0.00 174.62 174.13 3mgt s LEU 201 N 1.21 4.13 -0.19 4.42 2.96 -0.38 -1.59 118.68 129.24 3mgt s LEU 201 Ca 0.22 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3mgt s LEU 201 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3mgt s LEU 201 CO 0.09 -0.22 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.22 3mgt s ARG 202 N 1.57 3.38 -0.26 1.98 3.52 -0.56 -1.52 118.95 127.06 3mgt s ARG 202 Ca 0.04 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 3mgt s ARG 202 Cb -0.17 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.30 3mgt s ARG 202 CO 0.05 -0.04 0.18 0.00 -0.81 0.00 0.00 175.30 174.69 3mgt s TRP 204 N 1.45 3.21 -0.18 0.00 0.52 0.43 -1.51 118.94 122.87 3mgt s TRP 204 Ca 0.08 0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.37 3mgt s TRP 204 Cb -0.15 -1.87 0.02 0.00 -1.15 0.00 0.00 33.47 30.32 3mgt s TRP 204 CO 0.08 0.40 -0.20 0.00 0.02 0.00 0.00 176.95 177.25 3mgt s ALA 205 N -0.58 2.34 0.10 0.98 0.00 0.12 -2.78 121.76 121.93 3mgt s ALA 205 Ca 0.10 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 50.94 3mgt s ALA 205 Cb -0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 3mgt s ALA 205 CO 0.02 -0.31 -0.20 -0.51 0.00 0.00 0.00 175.76 174.77 3mgt s LEU 206 N 1.23 2.30 -1.38 0.00 1.43 0.90 -1.85 118.68 121.31 3mgt s LEU 206 Ca 0.03 -0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 52.37 3mgt s LEU 206 Cb -0.13 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.29 3mgt s LEU 206 CO -0.11 0.03 1.09 -0.24 0.23 0.00 0.00 176.35 177.35 3mgt n SER 207 N 1.11 -5.16 -4.76 2.29 2.88 -0.95 -0.24 113.62 108.79 3mgt n SER 207 Ca -0.20 -0.63 -0.24 0.00 -1.33 0.00 0.00 58.87 56.48 3mgt n SER 207 Cb 0.54 -4.71 -0.06 0.00 -0.75 0.00 0.00 64.21 59.23 3mgt n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mgt s PHE 208 N -3.34 3.00 -0.21 0.66 -0.71 -1.11 -4.69 117.98 111.58 3mgt s PHE 208 Ca 0.50 -0.11 -0.17 0.00 -1.04 0.00 0.00 56.93 56.11 3mgt s PHE 208 Cb -0.23 -1.39 0.06 0.00 -1.21 0.00 0.00 43.02 40.25 3mgt s PHE 208 CO 0.76 0.54 0.55 -0.47 -1.34 0.00 0.00 175.22 175.25 3mgt s TYR 209 N -1.99 -0.67 1.03 3.49 5.04 -0.20 -1.06 117.35 123.00 3mgt s TYR 209 Ca 0.31 1.53 -0.17 0.00 -2.44 0.00 0.00 57.07 56.30 3mgt s TYR 209 Cb -0.08 0.28 0.25 0.00 0.35 0.00 0.00 41.96 42.75 3mgt s TYR 209 CO 0.22 -0.33 1.09 -2.30 -1.34 0.00 0.00 175.55 172.89 3mgt n PRO 210 N 3.24 -2.26 0.18 4.97 -0.02 -1.26 -1.47 135.00 138.39 3mgt n PRO 210 Ca -0.16 -1.71 0.03 0.00 -2.02 0.00 0.00 63.50 59.64 3mgt n PRO 210 Cb 0.56 -1.40 0.42 0.00 -0.02 0.00 0.00 33.50 33.06 3mgt n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mgt h ALA 211 N -2.33 1.54 -2.24 3.55 0.00 -1.95 -3.44 119.26 114.39 3mgt h ALA 211 Ca -0.38 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 53.71 3mgt h ALA 211 Cb 1.12 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.90 3mgt h ALA 211 CO 0.26 0.34 0.98 -1.91 0.00 0.00 0.00 179.25 178.92 3mgt n GLU 212 N -4.24 2.32 -3.52 0.00 4.07 -1.26 -4.96 120.64 113.04 3mgt n GLU 212 Ca -0.02 0.84 -0.16 0.00 -0.06 0.00 0.00 57.16 57.76 3mgt n GLU 212 Cb 0.30 -2.67 -0.05 0.00 -0.06 0.00 0.00 31.44 28.96 3mgt n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3mgt s ILE 213 N 2.50 0.01 -0.18 6.31 2.07 -1.26 -4.65 121.20 126.00 3mgt s ILE 213 Ca 0.85 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 60.05 3mgt s ILE 213 Cb -0.64 -0.98 0.03 0.00 0.13 0.00 0.00 42.46 41.00 3mgt s ILE 213 CO 0.43 -0.02 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.38 3mgt s THR 214 N -1.72 1.86 -0.18 4.00 2.01 -0.38 -5.00 115.64 116.22 3mgt s THR 214 Ca -0.09 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.03 3mgt s THR 214 Cb -0.00 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.81 3mgt s THR 214 CO 0.05 0.44 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.11 3mgt s LEU 215 N 1.36 1.94 0.00 4.42 2.96 -1.26 -0.89 118.68 127.21 3mgt s LEU 215 Ca 0.03 -0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 3mgt s LEU 215 Cb -0.14 -1.09 0.00 0.00 0.50 0.00 0.00 46.19 45.46 3mgt s LEU 215 CO -0.11 -0.15 0.13 0.28 -1.32 0.00 0.00 176.35 175.17 3mgt s THR 216 N 1.51 0.08 -0.03 3.68 -1.32 -0.55 -4.87 115.64 114.13 3mgt s THR 216 Ca 0.00 -0.69 0.02 0.00 -1.21 0.00 0.00 61.69 59.81 3mgt s THR 216 Cb -0.15 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.38 3mgt s THR 216 CO -0.08 -0.38 -0.05 0.26 -2.21 0.00 0.00 174.62 172.16 3mgt s TRP 217 N -1.36 2.96 0.06 9.09 0.52 -1.26 0.09 118.94 129.04 3mgt s TRP 217 Ca -0.15 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.06 3mgt s TRP 217 Cb -0.08 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 3mgt s TRP 217 CO 0.01 0.38 -0.17 -0.65 0.02 0.00 0.00 176.95 176.55 3mgt s GLN 218 N -1.17 1.03 -0.21 4.98 -0.21 -0.20 -1.69 119.66 122.19 3mgt s GLN 218 Ca 0.15 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 54.62 3mgt s GLN 218 Cb -0.11 -1.11 0.03 0.00 1.00 0.00 0.00 33.01 32.81 3mgt s GLN 218 CO 0.05 0.27 -0.14 0.50 -2.12 0.00 0.00 175.29 173.86 3mgt s ARG 219 N -1.43 2.87 -1.37 2.91 3.52 0.20 -1.24 118.95 124.41 3mgt s ARG 219 Ca 0.03 -0.93 -0.09 0.00 -0.13 0.00 0.00 55.73 54.60 3mgt s ARG 219 Cb -0.09 -2.77 0.06 0.00 -1.56 0.00 0.00 34.95 30.60 3mgt s ARG 219 CO 0.02 -0.32 0.58 -0.25 -0.81 0.00 0.00 175.30 174.52 3mgt n ASP 220 N 4.62 -4.27 -0.03 -2.12 9.92 -0.46 -1.24 116.55 122.97 3mgt n ASP 220 Ca -0.18 -0.43 -0.00 0.00 -0.53 0.00 0.00 54.79 53.64 3mgt n ASP 220 Cb 0.48 -3.50 -0.00 0.00 -0.64 0.00 0.00 41.12 37.46 3mgt n ASP 220 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mgt n GLY 221 N -1.30 0.47 3.50 0.44 0.00 -1.26 -5.03 105.19 102.01 3mgt n GLY 221 Ca -0.02 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3mgt n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mgt s GLU 222 N -0.67 3.34 0.35 1.61 -1.05 -0.38 -5.04 118.70 116.86 3mgt s GLU 222 Ca 0.00 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 3mgt s GLU 222 Cb 0.00 -2.77 -0.11 0.00 -0.44 0.00 0.00 34.13 30.81 3mgt s GLU 222 CO 0.00 0.37 1.51 -3.47 0.95 0.00 0.00 175.26 174.62 3mgt n ASP 223 N 3.13 3.75 -2.12 0.83 -0.08 -1.26 -0.63 116.55 120.17 3mgt n ASP 223 Ca -0.18 1.20 -0.28 0.00 -1.51 0.00 0.00 54.79 54.02 3mgt n ASP 223 Cb 0.53 -1.60 0.07 0.00 2.34 0.00 0.00 41.12 42.45 3mgt n ASP 223 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mgt n GLN 224 N 1.03 2.97 -0.19 -0.67 1.13 -0.68 -4.83 117.38 116.14 3mgt n GLN 224 Ca 0.04 -3.61 -0.00 0.00 -1.94 0.00 0.00 57.00 51.48 3mgt n GLN 224 Cb 0.38 -2.25 0.09 0.00 0.11 0.00 0.00 30.24 28.57 3mgt n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3mgt h THR 225 N 1.46 0.56 -0.00 5.09 2.02 -1.91 0.15 112.91 120.27 3mgt h THR 225 Ca 0.49 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.62 3mgt h THR 225 Cb 1.23 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3mgt h THR 225 CO 1.16 0.03 -0.01 0.00 0.37 0.00 0.00 175.52 177.07 3mgt n GLN 226 N -5.23 1.10 -0.55 6.66 6.02 -1.26 -3.37 117.38 120.75 3mgt n GLN 226 Ca 0.08 -0.25 0.06 0.00 -0.01 0.00 0.00 57.00 56.88 3mgt n GLN 226 Cb 0.32 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.21 3mgt n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3mgt n ASP 227 N -0.73 1.52 -4.39 1.08 9.92 0.35 -5.03 116.55 119.27 3mgt n ASP 227 Ca 0.22 -3.00 -0.33 0.00 -0.53 0.00 0.00 54.79 51.15 3mgt n ASP 227 Cb 0.19 -0.40 -0.14 0.00 -0.64 0.00 0.00 41.12 40.12 3mgt n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3mgt s THR 228 N -2.04 2.82 -0.41 -3.53 2.01 -0.22 -4.61 115.64 109.66 3mgt s THR 228 Ca 0.29 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 3mgt s THR 228 Cb 0.28 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.69 3mgt s THR 228 CO -0.04 0.56 0.59 -0.70 -0.69 0.00 0.00 174.62 174.34 3mgt s GLU 229 N -0.18 3.37 -0.21 4.92 2.12 0.36 -4.93 118.70 124.15 3mgt s GLU 229 Ca -0.01 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 54.98 3mgt s GLU 229 Cb -0.13 -3.91 0.02 0.00 0.26 0.00 0.00 34.13 30.36 3mgt s GLU 229 CO 0.03 -0.89 -0.13 -1.17 -0.54 0.00 0.00 175.26 172.57 3mgt s LEU 230 N 2.64 2.58 0.35 2.70 2.96 -1.26 -0.79 118.68 127.87 3mgt s LEU 230 Ca 0.21 -0.66 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 3mgt s LEU 230 Cb -0.15 -1.58 -0.09 0.00 0.50 0.00 0.00 46.19 44.87 3mgt s LEU 230 CO 0.17 -0.04 0.78 0.68 -1.32 0.00 0.00 176.35 176.62 3mgt s VAL 231 N 1.34 4.65 0.31 1.68 -7.23 -1.06 -5.03 120.40 115.05 3mgt s VAL 231 Ca 0.04 0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 60.90 3mgt s VAL 231 Cb -0.14 -3.62 -0.11 0.00 0.56 0.00 0.00 36.38 33.06 3mgt s VAL 231 CO -0.09 -0.26 1.56 -0.70 -0.31 0.00 0.00 175.10 175.31 3mgt s GLU 232 N -3.14 4.12 0.21 4.82 2.12 -1.26 -4.58 118.70 120.99 3mgt s GLU 232 Ca 0.55 2.57 -0.32 0.00 0.36 0.00 0.00 54.97 58.13 3mgt s GLU 232 Cb -0.10 -3.01 -0.14 0.00 0.26 0.00 0.00 34.13 31.14 3mgt s GLU 232 CO 0.19 -0.60 1.37 2.41 -0.54 0.00 0.00 175.26 178.09 3mgt n THR 233 N 1.72 0.78 -4.18 -1.70 -1.04 -1.26 -4.85 114.28 103.75 3mgt n THR 233 Ca 0.06 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.05 61.72 3mgt n THR 233 Cb 0.38 -1.32 -0.13 0.00 -1.82 0.00 0.00 70.33 67.44 3mgt n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mgt s ARG 234 N -0.21 0.62 0.16 -2.82 1.70 -0.21 -4.95 118.95 113.24 3mgt s ARG 234 Ca 0.71 -0.59 -0.30 0.00 -0.47 0.00 0.00 55.73 55.08 3mgt s ARG 234 Cb -0.71 -0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 33.08 3mgt s ARG 234 CO 0.49 0.12 1.15 -1.25 -1.08 0.00 0.00 175.30 174.73 3mgt s PRO 235 N -1.01 4.53 0.40 3.89 0.04 -1.26 0.19 135.00 141.77 3mgt s PRO 235 Ca -0.03 1.78 0.22 0.00 0.04 0.00 0.00 61.00 63.01 3mgt s PRO 235 Cb -0.07 -3.28 0.57 0.00 0.04 0.00 0.00 34.50 31.77 3mgt s PRO 235 CO 0.00 -0.04 1.68 0.00 0.04 0.00 0.00 177.00 178.68 3mgt h ALA 236 N 5.45 0.91 0.00 8.56 0.00 -1.13 -3.46 119.26 129.58 3mgt h ALA 236 Ca -0.44 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3mgt h ALA 236 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mgt h ALA 236 CO 0.75 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.72 3mgt n GLY 237 N 0.66 0.60 0.40 0.00 0.00 -1.26 -4.92 105.19 100.67 3mgt n GLY 237 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3mgt n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mgt n ASP 238 N 0.00 2.80 0.00 1.61 5.75 -1.26 -4.94 116.55 120.51 3mgt n ASP 238 Ca 0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 3mgt n ASP 238 Cb 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 3mgt n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mgt n GLY 239 N -0.50 0.73 3.79 6.12 0.00 -1.26 -5.07 105.19 109.00 3mgt n GLY 239 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3mgt n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mgt s THR 240 N -2.40 2.11 0.28 2.61 -4.23 -1.26 -4.87 115.64 107.87 3mgt s THR 240 Ca 0.00 -1.64 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 3mgt s THR 240 Cb 0.00 -2.75 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 3mgt s THR 240 CO 0.00 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.65 3mgt s PHE 241 N -2.65 1.95 0.11 3.99 0.40 -0.22 -0.54 117.98 121.02 3mgt s PHE 241 Ca 0.37 -0.68 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 3mgt s PHE 241 Cb 0.02 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 3mgt s PHE 241 CO 0.21 0.30 -0.10 -0.65 0.70 0.00 0.00 175.22 175.68 3mgt s GLN 242 N -3.72 0.89 -0.08 0.44 -0.21 0.13 -2.25 119.66 114.87 3mgt s GLN 242 Ca 0.29 -1.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.12 3mgt s GLN 242 Cb 0.03 -0.50 0.09 0.00 1.00 0.00 0.00 33.01 33.63 3mgt s GLN 242 CO 0.12 0.07 0.79 0.21 -2.12 0.00 0.00 175.29 174.35 3mgt s LYS 243 N -3.14 0.91 0.01 2.91 2.20 -0.77 -1.04 119.74 120.82 3mgt s LYS 243 Ca 0.09 0.17 -0.07 0.00 -0.36 0.00 0.00 55.97 55.80 3mgt s LYS 243 Cb -0.01 0.43 -0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3mgt s LYS 243 CO -0.01 -0.29 0.13 1.67 -0.36 0.00 0.00 175.35 176.49 3mgt s TRP 244 N -1.34 0.07 -0.01 4.03 1.48 -1.26 -0.71 118.94 121.19 3mgt s TRP 244 Ca -0.07 -0.20 0.06 0.00 -1.06 0.00 0.00 56.10 54.83 3mgt s TRP 244 Cb -0.00 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.23 3mgt s TRP 244 CO 0.06 -0.31 -0.21 0.00 -4.06 0.00 0.00 176.95 172.43 3mgt s ALA 245 N -1.64 1.73 0.09 2.67 0.00 -0.57 -2.57 121.76 121.47 3mgt s ALA 245 Ca -0.13 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3mgt s ALA 245 Cb -0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3mgt s ALA 245 CO 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 175.76 176.08 3mgt s ALA 246 N -0.49 1.14 0.03 0.00 0.00 0.03 0.06 121.76 122.53 3mgt s ALA 246 Ca 0.08 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 3mgt s ALA 246 Cb -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3mgt s ALA 246 CO -0.01 0.03 -0.03 0.14 0.00 0.00 0.00 175.76 175.88 3mgt s VAL 247 N -2.08 0.19 -0.27 0.00 -7.23 -0.58 -0.49 120.40 109.95 3mgt s VAL 247 Ca 0.03 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 3mgt s VAL 247 Cb -0.05 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 3mgt s VAL 247 CO 0.01 -0.68 0.49 -0.69 -0.31 0.00 0.00 175.10 173.93 3mgt s VAL 248 N -2.37 5.08 -0.20 1.32 1.01 -1.26 -1.25 120.40 122.72 3mgt s VAL 248 Ca -0.07 0.78 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 3mgt s VAL 248 Cb -0.03 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3mgt s VAL 248 CO -0.04 0.07 -0.04 -0.69 0.00 0.00 0.00 175.10 174.39 3mgt s VAL 249 N 2.29 3.51 0.47 2.92 1.01 0.22 -4.96 120.40 125.87 3mgt s VAL 249 Ca 0.20 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 3mgt s VAL 249 Cb -0.16 -2.58 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 3mgt s VAL 249 CO 0.10 0.44 1.27 -2.84 0.00 0.00 0.00 175.10 174.07 3mgt s PRO 250 N 1.11 3.60 -0.23 2.72 0.02 -1.26 -1.42 135.00 139.54 3mgt s PRO 250 Ca 0.02 2.03 -0.43 0.00 0.02 0.00 0.00 61.00 62.63 3mgt s PRO 250 Cb -0.15 -2.44 -0.20 0.00 0.02 0.00 0.00 34.50 31.73 3mgt s PRO 250 CO -0.00 -0.75 1.33 0.43 -0.33 0.00 0.00 177.00 177.68 3mgt n SER 251 N -0.51 0.62 -0.00 2.53 7.64 -1.12 -1.63 113.62 121.13 3mgt n SER 251 Ca 0.07 1.17 -0.00 0.00 1.01 0.00 0.00 58.87 61.13 3mgt n SER 251 Cb 0.46 -0.91 -0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3mgt n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgt n GLY 252 N 2.72 0.47 0.65 0.23 0.00 -1.26 -4.90 105.19 103.08 3mgt n GLY 252 Ca 0.25 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3mgt n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mgt n GLN 253 N -2.97 2.54 -0.26 1.61 6.02 -0.65 -4.73 117.38 118.95 3mgt n GLN 253 Ca -0.00 -1.96 0.06 0.00 -0.01 0.00 0.00 57.00 55.09 3mgt n GLN 253 Cb 0.01 -1.28 0.19 0.00 1.02 0.00 0.00 30.24 30.18 3mgt n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mgt h GLU 254 N 2.17 0.44 -0.32 -1.09 3.07 -1.91 0.11 114.58 117.04 3mgt h GLU 254 Ca 0.00 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.93 3mgt h GLU 254 Cb 0.71 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3mgt h GLU 254 CO 0.00 0.29 0.31 -0.56 -1.40 0.00 0.00 179.01 177.65 3mgt h GLN 255 N 0.45 0.00 0.00 2.33 3.07 -1.85 -1.91 115.11 117.20 3mgt h GLN 255 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 3mgt h GLN 255 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 3mgt h GLN 255 CO -0.41 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.51 3mgt h ARG 256 N 0.00 0.00 -5.65 0.06 3.08 -1.12 -3.45 114.38 107.30 3mgt h ARG 256 Ca 0.15 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.54 3mgt h ARG 256 Cb 0.77 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.74 3mgt h ARG 256 CO -0.00 0.00 -0.50 0.71 -1.07 0.00 0.00 179.97 179.11 3mgt s TYR 257 N -3.59 3.53 -0.03 3.04 1.51 -0.72 -1.35 117.35 119.73 3mgt s TYR 257 Ca 0.02 0.47 0.03 0.00 -1.01 0.00 0.00 57.07 56.58 3mgt s TYR 257 Cb 0.08 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 3mgt s TYR 257 CO 0.56 0.67 -0.12 0.95 -1.11 0.00 0.00 175.55 176.50 3mgt s THR 258 N -0.89 1.00 -0.13 -0.71 -4.23 -0.37 -4.39 115.64 105.92 3mgt s THR 258 Ca 0.14 -0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 60.06 3mgt s THR 258 Cb -0.12 -0.88 -0.05 0.00 1.34 0.00 0.00 72.50 72.80 3mgt s THR 258 CO 0.03 0.30 0.22 0.00 -0.54 0.00 0.00 174.62 174.64 3mgt s HIS 260 N -0.35 2.65 -0.16 0.00 3.76 0.11 -0.07 115.29 121.24 3mgt s HIS 260 Ca 0.15 -1.27 0.01 0.00 -0.15 0.00 0.00 55.06 53.81 3mgt s HIS 260 Cb -0.13 -1.80 0.02 0.00 1.11 0.00 0.00 32.58 31.78 3mgt s HIS 260 CO 0.04 -0.57 -0.19 0.08 -0.85 0.00 0.00 174.74 173.26 3mgt s VAL 261 N 0.71 1.94 -0.10 -0.90 1.01 -0.70 -1.48 120.40 120.88 3mgt s VAL 261 Ca -0.09 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3mgt s VAL 261 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3mgt s VAL 261 CO 0.00 0.52 -0.23 -1.10 0.00 0.00 0.00 175.10 174.30 3mgt s GLN 262 N 1.21 2.95 -0.09 2.72 -0.21 -0.07 -1.18 119.66 124.99 3mgt s GLN 262 Ca 0.02 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.25 3mgt s GLN 262 Cb -0.14 -2.24 0.07 0.00 1.00 0.00 0.00 33.01 31.70 3mgt s GLN 262 CO -0.10 0.15 0.70 -1.58 -2.12 0.00 0.00 175.29 172.35 3mgt s HIS 263 N 0.40 -0.66 0.44 0.91 2.46 -1.26 -1.26 115.29 116.33 3mgt s HIS 263 Ca -0.18 1.21 0.23 0.00 0.47 0.00 0.00 55.06 56.80 3mgt s HIS 263 Cb -0.18 0.39 1.23 0.00 -0.13 0.00 0.00 32.58 33.90 3mgt s HIS 263 CO 0.08 -0.57 1.80 1.49 -2.47 0.00 0.00 174.74 175.07 3mgt h GLU 264 N 3.25 0.27 -0.04 2.88 4.81 -1.93 -1.06 114.58 122.76 3mgt h GLU 264 Ca -0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3mgt h GLU 264 Cb 1.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3mgt h GLU 264 CO 0.34 0.18 0.00 0.41 -0.73 0.00 0.00 179.01 179.21 3mgt n GLY 265 N -1.56 -0.29 3.57 1.92 0.00 -1.26 -4.79 105.19 102.78 3mgt n GLY 265 Ca 0.24 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3mgt n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgt s LEU 266 N -1.88 4.18 0.24 0.99 1.43 -0.40 -4.49 118.68 118.74 3mgt s LEU 266 Ca 0.39 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 3mgt s LEU 266 Cb 0.20 -2.12 0.30 0.00 0.03 0.00 0.00 46.19 44.59 3mgt s LEU 266 CO 0.32 -0.11 1.58 -0.65 0.23 0.00 0.00 176.35 177.71 3mgt h PRO 267 N 8.41 -0.03 -3.83 1.29 0.11 -1.87 -3.42 132.00 132.67 3mgt h PRO 267 Ca -0.34 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.60 3mgt h PRO 267 Cb 1.18 0.01 -0.22 0.00 0.11 0.00 0.00 31.00 32.08 3mgt h PRO 267 CO 0.58 -0.02 -0.65 -1.59 -0.21 0.00 0.00 178.00 176.11 3mgt s LYS 268 N -6.13 0.31 0.32 1.05 -2.85 -1.26 -5.13 119.74 106.04 3mgt s LYS 268 Ca -0.14 -0.46 -0.26 0.00 -1.00 0.00 0.00 55.97 54.10 3mgt s LYS 268 Cb 0.22 0.12 -0.14 0.00 -2.06 0.00 0.00 37.83 35.96 3mgt s LYS 268 CO 0.74 -0.06 0.79 -2.30 0.10 0.00 0.00 175.35 174.62 3mgt n PRO 269 N 1.79 0.88 -3.33 1.78 -0.02 -1.26 -4.95 135.00 129.90 3mgt n PRO 269 Ca -0.22 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 3mgt n PRO 269 Cb 0.56 -1.61 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 3mgt n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mgt s LEU 270 N 1.20 4.36 -0.25 2.45 1.43 -0.32 -4.93 118.68 122.62 3mgt s LEU 270 Ca 0.61 1.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 3mgt s LEU 270 Cb -0.70 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.34 3mgt s LEU 270 CO 0.58 0.12 -0.07 -0.89 0.23 0.00 0.00 176.35 176.32 3mgt s THR 271 N -1.42 1.78 -0.05 5.49 2.01 -1.26 -1.72 115.64 120.47 3mgt s THR 271 Ca 0.37 -1.41 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 3mgt s THR 271 Cb -0.16 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 3mgt s THR 271 CO 0.19 -0.09 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.26 3mgt s LEU 272 N 1.27 3.50 0.01 4.42 1.43 0.90 -4.94 118.68 125.28 3mgt s LEU 272 Ca -0.07 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3mgt s LEU 272 Cb -0.19 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3mgt s LEU 272 CO -0.06 0.34 -0.05 -0.60 0.23 0.00 0.00 176.35 176.21 3mgt s ARG 273 N -1.11 0.38 -0.25 1.70 3.52 -1.26 -0.11 118.95 121.82 3mgt s ARG 273 Ca 0.15 -0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.13 3mgt s ARG 273 Cb -0.11 -0.29 0.01 0.00 -1.56 0.00 0.00 34.95 33.00 3mgt s ARG 273 CO 0.05 0.07 1.11 -0.46 -0.81 0.00 0.00 175.30 175.26 3mgt s TRP 274 N -0.52 3.15 0.00 5.12 -0.11 -1.26 -5.06 118.94 120.25 3mgt s TRP 274 Ca -0.03 1.26 0.00 0.00 1.22 0.00 0.00 56.10 58.56 3mgt s TRP 274 Cb -0.04 -3.48 0.00 0.00 -1.50 0.00 0.00 33.47 28.45 3mgt s TRP 274 CO -0.00 -0.88 0.00 -0.85 -4.62 0.00 0.00 176.95 170.60