#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bck s SER 2 N 0.00 4.83 0.22 1.61 0.01 -1.26 -3.60 113.70 115.51 2bck s SER 2 Ca 0.00 1.86 -0.10 0.00 1.31 0.00 0.00 55.95 59.02 2bck s SER 2 Cb 0.00 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2bck s SER 2 CO 0.00 -1.82 0.37 -1.00 0.41 0.00 0.00 173.24 171.21 2bck s HIS 3 N -2.72 0.52 -0.05 2.43 3.76 -1.04 -4.98 115.29 113.20 2bck s HIS 3 Ca 0.63 -0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 2bck s HIS 3 Cb -0.18 -0.00 0.08 0.00 1.11 0.00 0.00 32.58 33.59 2bck s HIS 3 CO 0.50 -0.87 0.71 -1.54 -0.85 0.00 0.00 174.74 172.69 2bck s SER 4 N -3.03 -0.62 0.04 1.40 1.04 -1.26 -1.16 113.70 110.11 2bck s SER 4 Ca 0.24 0.64 0.09 0.00 0.48 0.00 0.00 55.95 57.41 2bck s SER 4 Cb 0.02 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2bck s SER 4 CO 0.08 -0.60 -0.26 -0.32 0.98 0.00 0.00 173.24 173.12 2bck s MET 5 N -1.33 1.78 -0.10 4.02 -2.45 -0.77 -0.16 119.30 120.29 2bck s MET 5 Ca -0.09 -1.08 -0.09 0.00 -1.25 0.00 0.00 55.69 53.18 2bck s MET 5 Cb -0.00 -1.94 0.03 0.00 1.25 0.00 0.00 34.83 34.17 2bck s MET 5 CO 0.08 0.50 0.27 1.03 1.05 0.00 0.00 175.02 177.95 2bck s ARG 6 N -1.19 0.30 -0.15 4.11 1.81 0.14 -2.28 118.95 121.69 2bck s ARG 6 Ca 0.11 0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.55 2bck s ARG 6 Cb -0.10 0.10 0.01 0.00 -0.45 0.00 0.00 34.95 34.51 2bck s ARG 6 CO 0.02 -0.06 -0.20 0.71 -0.68 0.00 0.00 175.30 175.08 2bck s TYR 7 N 0.36 2.71 -0.10 -0.53 1.51 -0.45 0.51 117.35 121.36 2bck s TYR 7 Ca -0.02 -1.31 0.02 0.00 -1.01 0.00 0.00 57.07 54.75 2bck s TYR 7 Cb -0.03 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2bck s TYR 7 CO -0.01 -0.61 -0.15 -0.06 -1.11 0.00 0.00 175.55 173.61 2bck s PHE 8 N 0.87 2.73 0.08 2.71 0.08 0.11 -2.23 117.98 122.33 2bck s PHE 8 Ca -0.05 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.56 2bck s PHE 8 Cb -0.15 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 2bck s PHE 8 CO -0.03 -0.09 -0.19 -1.54 -0.10 0.00 0.00 175.22 173.27 2bck s SER 9 N -0.05 2.32 -0.04 1.36 1.04 -0.45 -0.15 113.70 117.73 2bck s SER 9 Ca -0.03 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.77 2bck s SER 9 Cb -0.14 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.87 2bck s SER 9 CO 0.04 0.07 0.07 -0.89 0.98 0.00 0.00 173.24 173.51 2bck s THR 10 N -1.05 -0.10 -0.14 2.02 2.01 0.50 -2.22 115.64 116.66 2bck s THR 10 Ca 0.05 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2bck s THR 10 Cb -0.09 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.28 2bck s THR 10 CO 0.03 0.12 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.42 2bck s SER 11 N 1.60 2.56 -0.08 3.53 0.15 -0.64 -1.06 113.70 119.75 2bck s SER 11 Ca -0.03 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.21 2bck s SER 11 Cb -0.12 -1.07 -0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2bck s SER 11 CO -0.04 -0.08 -0.22 -0.69 1.20 0.00 0.00 173.24 173.40 2bck s VAL 12 N 1.56 1.91 0.27 4.45 1.01 -0.66 -0.71 120.40 128.23 2bck s VAL 12 Ca 0.05 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 2bck s VAL 12 Cb -0.13 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 2bck s VAL 12 CO -0.10 0.53 0.88 -0.94 0.00 0.00 0.00 175.10 175.47 2bck s SER 13 N 0.20 7.34 -0.61 3.32 1.04 -0.73 -1.29 113.70 122.96 2bck s SER 13 Ca -0.13 1.75 0.06 0.00 0.48 0.00 0.00 55.95 58.11 2bck s SER 13 Cb -0.16 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.65 2bck s SER 13 CO 0.06 0.03 0.66 0.54 0.98 0.00 0.00 173.24 175.51 2bck n ARG 14 N 0.88 2.08 -1.70 4.02 1.74 -1.26 -4.27 116.66 118.15 2bck n ARG 14 Ca -0.01 -4.40 -0.61 0.00 -0.77 0.00 0.00 57.85 52.06 2bck n ARG 14 Cb 0.50 -2.11 -0.08 0.00 -1.02 0.00 0.00 32.46 29.74 2bck n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2bck n PRO 15 N 1.21 0.62 -1.15 5.56 -0.02 -1.26 -0.71 135.00 139.25 2bck n PRO 15 Ca 0.27 0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.93 2bck n PRO 15 Cb 0.42 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 2bck n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bck n GLY 16 N 3.79 0.76 1.00 -1.23 0.00 -1.26 -4.88 105.19 103.37 2bck n GLY 16 Ca 0.27 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.67 2bck n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bck n ARG 17 N -2.63 0.00 0.00 1.61 1.74 0.11 -5.15 116.66 112.34 2bck n ARG 17 Ca -0.05 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 2bck n ARG 17 Cb 0.19 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 2bck n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bck n GLY 18 N 0.24 -1.80 3.69 -0.13 0.00 -1.24 -4.95 105.19 100.99 2bck n GLY 18 Ca 0.01 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 2bck n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bck s GLU 19 N 0.00 1.27 0.84 1.61 0.41 -1.26 -4.38 118.70 117.19 2bck s GLU 19 Ca 0.00 1.55 -0.11 0.00 -0.41 0.00 0.00 54.97 56.00 2bck s GLU 19 Cb 0.00 -1.75 0.10 0.00 -1.78 0.00 0.00 34.13 30.69 2bck s GLU 19 CO 0.00 -2.45 1.09 -2.14 -0.49 0.00 0.00 175.26 171.27 2bck s PRO 20 N -4.57 1.69 -0.21 0.39 0.02 -1.26 -4.50 135.00 126.55 2bck s PRO 20 Ca 0.67 0.85 -0.10 0.00 0.02 0.00 0.00 61.00 62.44 2bck s PRO 20 Cb -0.23 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 2bck s PRO 20 CO 0.56 -1.95 0.15 0.50 -0.33 0.00 0.00 177.00 175.93 2bck s ARG 21 N -4.98 4.17 -0.20 5.54 3.52 -0.41 -4.89 118.95 121.69 2bck s ARG 21 Ca 0.62 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.99 2bck s ARG 21 Cb -0.17 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2bck s ARG 21 CO 0.56 0.24 -0.10 0.12 -0.81 0.00 0.00 175.30 175.31 2bck s PHE 22 N 0.54 2.89 -0.18 5.12 5.36 -1.26 -1.65 117.98 128.81 2bck s PHE 22 Ca 0.09 -1.18 0.01 0.00 -0.96 0.00 0.00 56.93 54.88 2bck s PHE 22 Cb -0.12 -2.03 0.03 0.00 -0.34 0.00 0.00 43.02 40.56 2bck s PHE 22 CO -0.00 -0.63 -0.16 0.42 -1.46 0.00 0.00 175.22 173.39 2bck s ILE 23 N 1.39 1.87 -0.07 3.12 -1.09 -0.23 -1.34 121.20 124.85 2bck s ILE 23 Ca 0.05 -0.93 0.05 0.00 -2.23 0.00 0.00 60.65 57.59 2bck s ILE 23 Cb -0.14 -1.77 -0.01 0.00 -1.58 0.00 0.00 42.46 38.97 2bck s ILE 23 CO -0.07 0.41 -0.23 0.00 -1.23 0.00 0.00 174.94 173.83 2bck s ALA 24 N 1.34 2.00 0.03 9.38 0.00 -0.08 -0.37 121.76 134.07 2bck s ALA 24 Ca 0.03 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2bck s ALA 24 Cb -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2bck s ALA 24 CO -0.11 0.34 -0.11 0.08 0.00 0.00 0.00 175.76 175.97 2bck s VAL 25 N 0.04 0.85 -0.06 0.00 1.01 0.79 0.22 120.40 123.25 2bck s VAL 25 Ca -0.08 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2bck s VAL 25 Cb -0.15 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2bck s VAL 25 CO 0.05 -0.05 -0.15 -0.83 0.00 0.00 0.00 175.10 174.12 2bck s GLY 26 N -1.03 0.88 0.17 4.51 0.00 -1.03 0.09 107.32 110.91 2bck s GLY 26 Ca -0.01 -0.53 0.10 0.00 0.00 0.00 0.00 44.72 44.28 2bck s GLY 26 CO 0.01 -0.04 -0.21 -0.19 0.00 0.00 0.00 173.10 172.67 2bck s TYR 27 N 0.48 2.05 -0.25 1.90 1.51 0.18 -1.60 117.35 121.63 2bck s TYR 27 Ca -0.13 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 2bck s TYR 27 Cb -0.15 -1.03 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 2bck s TYR 27 CO 0.04 0.40 -0.06 0.08 -1.11 0.00 0.00 175.55 174.90 2bck s VAL 28 N -1.76 1.76 0.00 0.71 1.01 -0.76 -0.68 120.40 120.68 2bck s VAL 28 Ca 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2bck s VAL 28 Cb -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2bck s VAL 28 CO 0.08 -0.12 0.00 0.47 0.00 0.00 0.00 175.10 175.52 2bck n ASP 29 N 4.57 0.00 -1.47 3.32 8.00 0.78 -1.23 116.55 130.53 2bck n ASP 29 Ca -0.11 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.45 2bck n ASP 29 Cb 0.43 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.84 2bck n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2bck n ASP 30 N 4.66 4.34 -4.26 -2.24 8.00 -1.26 -4.85 116.55 120.94 2bck n ASP 30 Ca 0.00 -2.52 -0.35 0.00 0.71 0.00 0.00 54.79 52.62 2bck n ASP 30 Cb 0.00 -0.57 -0.14 0.00 -0.02 0.00 0.00 41.12 40.39 2bck n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bck s THR 31 N -2.05 3.30 0.16 -3.53 2.01 -0.36 -5.05 115.64 110.12 2bck s THR 31 Ca 0.43 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 2bck s THR 31 Cb 0.30 -2.68 -0.07 0.00 0.01 0.00 0.00 72.50 70.06 2bck s THR 31 CO 0.17 0.16 1.09 -1.58 -0.69 0.00 0.00 174.62 173.78 2bck s GLN 32 N 1.39 4.59 0.00 4.92 0.74 -1.26 -1.82 119.66 128.22 2bck s GLN 32 Ca 0.01 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.11 2bck s GLN 32 Cb -0.17 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.65 2bck s GLN 32 CO -0.02 0.07 0.04 1.97 -0.55 0.00 0.00 175.29 176.80 2bck n PHE 33 N 2.52 0.00 -3.82 1.67 1.16 -0.63 -4.06 117.46 114.31 2bck n PHE 33 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.52 2bck n PHE 33 Cb 0.46 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.30 2bck n PHE 33 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2bck s VAL 34 N -0.57 0.01 0.27 1.97 -7.23 -1.22 -1.20 120.40 112.42 2bck s VAL 34 Ca 0.00 -0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 2bck s VAL 34 Cb 0.00 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 35.13 2bck s VAL 34 CO 0.00 -0.04 0.72 0.00 -0.31 0.00 0.00 175.10 175.47 2bck s ARG 35 N -3.91 1.74 -0.20 4.82 1.70 -0.62 -2.47 118.95 120.00 2bck s ARG 35 Ca 0.12 -0.94 -0.12 0.00 -0.47 0.00 0.00 55.73 54.32 2bck s ARG 35 Cb -0.03 0.60 0.06 0.00 -0.57 0.00 0.00 34.95 35.02 2bck s ARG 35 CO 0.03 -0.79 0.49 0.12 -1.08 0.00 0.00 175.30 174.07 2bck s PHE 36 N -3.89 -0.73 -0.14 5.89 2.19 0.13 -1.91 117.98 119.53 2bck s PHE 36 Ca 0.10 1.53 -0.00 0.00 0.33 0.00 0.00 56.93 58.88 2bck s PHE 36 Cb -0.06 0.37 0.03 0.00 -1.31 0.00 0.00 43.02 42.05 2bck s PHE 36 CO 0.06 -0.39 -0.07 0.34 1.83 0.00 0.00 175.22 176.99 2bck s ASP 37 N 1.40 2.51 0.49 6.13 -1.08 -1.26 -0.90 116.67 123.96 2bck s ASP 37 Ca -0.09 -0.48 0.21 0.00 -0.52 0.00 0.00 52.55 51.67 2bck s ASP 37 Cb -0.07 -0.88 1.27 0.00 -1.46 0.00 0.00 42.92 41.77 2bck s ASP 37 CO -0.14 -0.15 2.05 0.77 0.52 0.00 0.00 175.17 178.22 2bck h SER 38 N 8.15 0.00 0.09 -0.34 4.64 -1.61 -1.82 113.55 122.66 2bck h SER 38 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2bck h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2bck h SER 38 CO 0.41 0.14 -0.16 0.47 -0.87 0.00 0.00 176.83 176.81 2bck n ASP 39 N -4.01 1.51 -4.75 4.97 9.92 -1.26 -4.95 116.55 117.98 2bck n ASP 39 Ca -0.02 -1.29 -0.34 0.00 -0.53 0.00 0.00 54.79 52.60 2bck n ASP 39 Cb 0.22 0.11 0.05 0.00 -0.64 0.00 0.00 41.12 40.87 2bck n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bck s ALA 40 N -2.27 2.41 0.06 2.24 0.00 -0.68 -4.98 121.76 118.53 2bck s ALA 40 Ca 0.29 0.81 -0.36 0.00 0.00 0.00 0.00 51.96 52.70 2bck s ALA 40 Cb 0.20 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.71 2bck s ALA 40 CO 0.44 -1.37 1.52 0.00 0.00 0.00 0.00 175.76 176.35 2bck h ALA 41 N 0.31 -1.22 -0.78 0.00 0.00 -1.92 -3.16 119.26 112.49 2bck h ALA 41 Ca -0.48 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.30 2bck h ALA 41 Cb 1.28 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 2bck h ALA 41 CO 0.53 -1.16 0.34 0.66 0.00 0.00 0.00 179.25 179.62 2bck h SER 42 N -1.25 0.36 -1.71 0.00 4.64 -1.94 -3.45 113.55 110.20 2bck h SER 42 Ca -0.12 0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 2bck h SER 42 Cb 0.94 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2bck h SER 42 CO 0.20 0.14 -0.28 1.67 -0.87 0.00 0.00 176.83 177.69 2bck n GLN 43 N -4.96 -1.13 -4.00 4.77 -0.06 -1.20 -5.01 117.38 105.80 2bck n GLN 43 Ca 0.15 0.52 -0.08 0.00 -2.00 0.00 0.00 57.00 55.59 2bck n GLN 43 Cb 0.42 -4.60 -0.09 0.00 -4.06 0.00 0.00 30.24 21.91 2bck n GLN 43 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2bck s ARG 44 N -4.63 0.63 0.65 3.69 0.52 -1.26 -5.07 118.95 113.47 2bck s ARG 44 Ca 0.02 -1.03 -0.18 0.00 -0.52 0.00 0.00 55.73 54.03 2bck s ARG 44 Cb -0.01 0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.68 2bck s ARG 44 CO 0.03 -0.15 1.27 -0.12 0.02 0.00 0.00 175.30 176.36 2bck n MET 45 N 0.31 1.08 -4.07 3.54 0.00 -1.26 -4.79 117.12 111.93 2bck n MET 45 Ca -0.16 0.43 -0.11 0.00 -0.00 0.00 0.00 57.70 57.86 2bck n MET 45 Cb 0.60 -2.51 -0.11 0.00 0.00 0.00 0.00 33.22 31.21 2bck n MET 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2bck s GLU 46 N -3.35 0.56 0.06 2.12 2.02 -0.80 -4.97 118.70 114.34 2bck s GLU 46 Ca 0.82 -0.91 -0.23 0.00 0.02 0.00 0.00 54.97 54.67 2bck s GLU 46 Cb -0.38 -0.13 -0.06 0.00 0.10 0.00 0.00 34.13 33.66 2bck s GLU 46 CO 0.41 -0.01 0.69 -1.25 0.02 0.00 0.00 175.26 175.13 2bck s PRO 47 N -2.35 4.42 -0.08 0.39 0.04 -1.26 -1.59 135.00 134.57 2bck s PRO 47 Ca -0.04 0.95 0.11 0.00 0.04 0.00 0.00 61.00 62.06 2bck s PRO 47 Cb -0.04 -3.32 0.18 0.00 0.04 0.00 0.00 34.50 31.35 2bck s PRO 47 CO -0.02 0.42 1.07 0.54 0.04 0.00 0.00 177.00 179.04 2bck n ARG 48 N 2.36 1.24 -3.78 4.56 5.12 -0.34 -4.89 116.66 120.92 2bck n ARG 48 Ca -0.05 -2.01 -0.13 0.00 -1.93 0.00 0.00 57.85 53.73 2bck n ARG 48 Cb 0.50 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.52 2bck n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bck s ALA 49 N -1.90 -0.68 0.18 7.54 0.00 -1.24 -4.51 121.76 121.15 2bck s ALA 49 Ca 0.19 0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 2bck s ALA 49 Cb 0.17 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.16 2bck s ALA 49 CO 0.02 -0.19 1.83 -1.35 0.00 0.00 0.00 175.76 176.07 2bck h PRO 50 N 4.91 0.66 0.00 0.00 0.11 -1.94 -3.14 132.00 132.60 2bck h PRO 50 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2bck h PRO 50 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2bck h PRO 50 CO 0.36 0.44 0.00 -2.67 -0.21 0.00 0.00 178.00 175.92 2bck n TRP 51 N -4.75 0.00 1.21 0.65 4.27 -1.26 -1.96 117.44 115.60 2bck n TRP 51 Ca 0.04 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.77 2bck n TRP 51 Cb 0.05 -0.40 0.28 0.00 -1.36 0.00 0.00 31.31 29.88 2bck n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2bck n ILE 52 N -1.40 0.00 0.14 -1.67 0.13 -1.19 -4.25 119.36 111.13 2bck n ILE 52 Ca 0.05 -0.25 -0.14 0.00 -1.10 0.00 0.00 62.75 61.31 2bck n ILE 52 Cb 0.13 0.80 -0.08 0.00 -0.84 0.00 0.00 39.64 39.65 2bck n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2bck h GLU 53 N 2.32 -0.31 -4.02 9.51 4.39 -1.53 -3.33 114.58 121.61 2bck h GLU 53 Ca 0.00 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2bck h GLU 53 Cb 0.64 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2bck h GLU 53 CO 0.00 -0.08 0.89 0.00 -1.16 0.00 0.00 179.01 178.67 2bck n GLN 54 N -5.15 0.00 -4.16 2.33 10.64 -1.26 -4.73 117.38 115.05 2bck n GLN 54 Ca -0.09 -0.45 -0.19 0.00 -1.83 0.00 0.00 57.00 54.43 2bck n GLN 54 Cb 0.20 -1.90 -0.16 0.00 -0.86 0.00 0.00 30.24 27.53 2bck n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2bck s GLU 55 N 4.59 0.73 0.88 2.61 0.41 -1.25 -5.14 118.70 121.52 2bck s GLU 55 Ca 0.01 -0.11 -0.10 0.00 -0.41 0.00 0.00 54.97 54.36 2bck s GLU 55 Cb 0.00 -0.75 0.12 0.00 -1.78 0.00 0.00 34.13 31.73 2bck s GLU 55 CO 0.01 -0.05 1.13 0.20 -0.49 0.00 0.00 175.26 176.06 2bck s GLY 56 N 0.74 1.69 0.63 -1.39 0.00 -1.26 -4.86 107.32 102.87 2bck s GLY 56 Ca -0.10 0.52 0.40 0.00 0.00 0.00 0.00 44.72 45.54 2bck s GLY 56 CO 0.00 0.92 2.22 -2.55 0.00 0.00 0.00 173.10 173.69 2bck h PRO 57 N -1.68 0.00 -0.13 2.90 0.11 -2.00 -1.27 132.00 129.94 2bck h PRO 57 Ca -0.43 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 2bck h PRO 57 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2bck h PRO 57 CO 0.44 0.00 -0.39 0.93 -0.21 0.00 0.00 178.00 178.77 2bck h GLU 58 N 0.00 0.28 0.51 1.05 5.08 -1.99 -2.02 114.58 117.49 2bck h GLU 58 Ca 0.00 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2bck h GLU 58 Cb 0.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2bck h GLU 58 CO 0.00 0.63 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.48 2bck h TYR 59 N 0.24 -0.63 -0.39 4.33 3.20 -1.56 -2.14 116.97 120.01 2bck h TYR 59 Ca 0.02 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.99 2bck h TYR 59 Cb 0.80 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 2bck h TYR 59 CO 0.02 -0.31 0.28 -1.49 -1.64 0.00 0.00 178.16 175.02 2bck h TRP 60 N -0.97 0.00 -0.02 -3.82 4.06 -1.57 0.10 115.95 113.73 2bck h TRP 60 Ca -0.07 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 2bck h TRP 60 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 2bck h TRP 60 CO 0.01 0.00 -0.06 -0.44 -3.56 0.00 0.00 178.44 174.38 2bck h ASP 61 N 0.00 0.09 0.03 -3.49 3.32 -1.32 -1.58 116.42 113.47 2bck h ASP 61 Ca 0.18 -0.62 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 2bck h ASP 61 Cb 0.74 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2bck h ASP 61 CO -0.00 0.70 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.87 2bck h GLU 62 N -0.52 -0.04 -0.30 3.56 5.08 -0.56 -1.43 114.58 120.37 2bck h GLU 62 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2bck h GLU 62 Cb 0.69 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2bck h GLU 62 CO 0.01 0.14 0.18 0.93 -1.00 0.00 0.00 179.01 179.27 2bck h GLU 63 N -0.22 0.36 -0.72 2.33 4.39 -0.95 -0.15 114.58 119.62 2bck h GLU 63 Ca -0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2bck h GLU 63 Cb 0.20 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2bck h GLU 63 CO 0.01 0.24 0.44 1.15 -1.16 0.00 0.00 179.01 179.68 2bck h THR 64 N 0.37 1.06 -0.59 1.13 2.02 -1.24 -0.82 112.91 114.83 2bck h THR 64 Ca 0.12 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2bck h THR 64 Cb -0.00 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 2bck h THR 64 CO -0.05 0.15 0.23 1.23 0.37 0.00 0.00 175.52 177.45 2bck h GLY 65 N 0.84 0.95 0.70 2.16 0.00 -0.33 0.20 103.07 107.59 2bck h GLY 65 Ca 0.30 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2bck h GLY 65 CO -0.14 0.49 -0.04 0.50 0.00 0.00 0.00 176.54 177.35 2bck h LYS 66 N 0.82 0.21 -0.21 4.80 1.57 -0.54 -2.36 116.57 120.87 2bck h LYS 66 Ca 0.20 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 2bck h LYS 66 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2bck h LYS 66 CO -0.02 0.56 -0.63 -0.24 -0.57 0.00 0.00 179.45 178.55 2bck h VAL 67 N -0.14 1.30 0.00 0.50 3.04 -1.13 -2.10 116.25 117.72 2bck h VAL 67 Ca 0.02 -1.86 -0.02 0.00 -1.01 0.00 0.00 66.70 63.83 2bck h VAL 67 Cb 0.49 1.81 -0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2bck h VAL 67 CO 0.01 0.59 -0.11 0.50 -1.01 0.00 0.00 177.57 177.55 2bck h LYS 68 N 0.54 0.00 0.13 4.17 3.64 -0.65 0.33 116.57 124.74 2bck h LYS 68 Ca -0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 2bck h LYS 68 Cb 1.23 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2bck h LYS 68 CO 0.13 0.11 -1.25 0.00 -2.27 0.00 0.00 179.45 176.18 2bck h ALA 69 N 1.89 0.06 0.00 5.00 0.00 -1.25 -3.07 119.26 121.89 2bck h ALA 69 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 2bck h ALA 69 Cb 0.29 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bck h ALA 69 CO 0.01 0.83 -0.12 1.25 0.00 0.00 0.00 179.25 181.22 2bck h HIS 70 N 0.16 0.00 0.29 0.00 -0.00 -0.27 -0.62 115.15 114.71 2bck h HIS 70 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.19 2bck h HIS 70 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.35 2bck h HIS 70 CO 0.09 0.12 -0.14 0.77 -0.00 0.00 0.00 177.93 178.77 2bck h SER 71 N 0.00 -0.33 -0.09 3.26 0.02 -1.19 -1.75 113.55 113.47 2bck h SER 71 Ca -0.00 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2bck h SER 71 Cb 0.38 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2bck h SER 71 CO 0.02 -0.03 -0.04 1.56 -1.14 0.00 0.00 176.83 177.20 2bck h GLN 72 N -0.64 -0.02 -0.90 3.45 1.08 -1.37 0.25 115.11 116.95 2bck h GLN 72 Ca -0.04 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2bck h GLN 72 Cb 0.45 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 2bck h GLN 72 CO 0.06 -0.02 0.59 0.00 -0.95 0.00 0.00 178.83 178.52 2bck h THR 73 N -0.03 1.22 0.00 -0.54 1.03 -1.12 -1.98 112.91 111.49 2bck h THR 73 Ca 0.05 -0.41 -0.14 0.00 -0.01 0.00 0.00 66.41 65.90 2bck h THR 73 Cb 0.10 -0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.07 2bck h THR 73 CO -0.11 0.22 -0.66 0.44 -0.01 0.00 0.00 175.52 175.40 2bck h ASP 74 N 1.21 0.00 -0.54 0.00 5.19 -0.81 -1.93 116.42 119.54 2bck h ASP 74 Ca 0.33 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.72 2bck h ASP 74 Cb -0.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 2bck h ASP 74 CO -0.08 0.66 0.23 -0.09 -3.12 0.00 0.00 179.24 176.85 2bck h ARG 75 N 0.00 0.79 -0.67 3.56 2.43 -0.63 -2.23 114.38 117.63 2bck h ARG 75 Ca -0.01 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2bck h ARG 75 Cb 1.22 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2bck h ARG 75 CO 0.09 0.68 0.42 1.49 -1.51 0.00 0.00 179.97 181.13 2bck h GLU 76 N 0.73 0.91 0.13 0.20 4.57 -1.15 -3.12 114.58 116.84 2bck h GLU 76 Ca 0.18 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2bck h GLU 76 Cb 0.17 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2bck h GLU 76 CO -0.02 0.63 -0.11 -0.91 -1.18 0.00 0.00 179.01 177.43 2bck h ASN 77 N 0.91 -0.27 -0.92 1.04 2.35 -0.98 -2.43 115.58 115.29 2bck h ASN 77 Ca 0.24 0.02 0.17 0.00 -0.55 0.00 0.00 56.30 56.19 2bck h ASN 77 Cb -0.05 0.09 -0.17 0.00 0.05 0.00 0.00 38.32 38.25 2bck h ASN 77 CO -0.05 -0.17 -0.28 -0.07 -1.65 0.00 0.00 177.43 175.22 2bck h LEU 78 N -0.25 -1.03 -0.55 1.61 3.38 -1.35 0.36 115.31 117.49 2bck h LEU 78 Ca -0.00 0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.36 2bck h LEU 78 Cb 0.23 0.62 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 2bck h LEU 78 CO -0.02 -0.30 -0.00 0.03 0.09 0.00 0.00 178.44 178.24 2bck h ARG 79 N -0.01 0.11 -0.09 1.13 2.47 -1.46 -1.32 114.38 115.21 2bck h ARG 79 Ca 0.41 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2bck h ARG 79 Cb 0.65 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2bck h ARG 79 CO -0.95 0.07 0.05 0.82 0.56 0.00 0.00 179.97 180.52 2bck h ILE 80 N 0.11 1.09 -0.89 2.04 2.04 -0.02 -2.59 117.51 119.30 2bck h ILE 80 Ca 0.28 -0.27 0.14 0.00 1.00 0.00 0.00 64.86 66.01 2bck h ILE 80 Cb 0.43 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 2bck h ILE 80 CO -0.46 0.08 0.57 0.00 0.00 0.00 0.00 178.15 178.34 2bck h ALA 81 N 0.94 1.81 -0.64 1.87 0.00 -0.32 -0.33 119.26 122.59 2bck h ALA 81 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bck h ALA 81 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2bck h ALA 81 CO -0.00 -0.04 0.42 -0.07 0.00 0.00 0.00 179.25 179.55 2bck h LEU 82 N 0.71 0.71 0.05 0.00 3.38 -0.87 -0.78 115.31 118.52 2bck h LEU 82 Ca 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 2bck h LEU 82 Cb 0.67 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2bck h LEU 82 CO -0.20 0.51 -0.03 0.03 0.09 0.00 0.00 178.44 178.85 2bck h ARG 83 N 0.85 -0.07 -0.37 1.13 2.47 -0.99 0.16 114.38 117.56 2bck h ARG 83 Ca 0.24 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.03 2bck h ARG 83 Cb -0.08 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.19 2bck h ARG 83 CO -0.06 0.26 -0.04 1.88 0.56 0.00 0.00 179.97 182.57 2bck h TYR 84 N -0.40 -0.09 -0.15 3.04 0.05 -0.86 -2.08 116.97 116.48 2bck h TYR 84 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2bck h TYR 84 Cb 0.36 0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2bck h TYR 84 CO 0.04 -0.11 0.00 0.66 -1.05 0.00 0.00 178.16 177.70 2bck n TYR 85 N -5.23 0.18 -3.77 4.88 4.01 -0.32 -4.95 117.16 111.98 2bck n TYR 85 Ca 0.02 -0.09 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 2bck n TYR 85 Cb 0.20 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 2bck n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2bck n ASN 86 N 0.42 -1.56 -4.91 7.72 4.05 0.32 -4.95 115.26 116.36 2bck n ASN 86 Ca 0.17 -0.84 -0.30 0.00 0.45 0.00 0.00 54.58 54.06 2bck n ASN 86 Cb 0.37 -3.90 -0.04 0.00 1.23 0.00 0.00 39.78 37.44 2bck n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2bck s GLN 87 N -6.15 3.39 0.35 1.20 -0.21 0.20 -5.03 119.66 113.42 2bck s GLN 87 Ca 0.10 -0.50 -0.27 0.00 0.02 0.00 0.00 55.36 54.71 2bck s GLN 87 Cb -0.05 -2.99 -0.09 0.00 1.00 0.00 0.00 33.01 30.88 2bck s GLN 87 CO 0.82 0.59 1.13 0.45 -2.12 0.00 0.00 175.29 176.17 2bck s SER 88 N -2.64 6.86 0.16 5.90 0.15 -1.26 -4.75 113.70 118.12 2bck s SER 88 Ca 0.34 2.29 0.24 0.00 0.70 0.00 0.00 55.95 59.52 2bck s SER 88 Cb -0.13 -2.62 0.91 0.00 -1.71 0.00 0.00 66.02 62.48 2bck s SER 88 CO 0.28 -0.43 1.72 -1.84 1.20 0.00 0.00 173.24 174.16 2bck n GLU 89 N 0.52 0.15 0.00 5.44 0.28 -1.26 -2.82 120.64 122.94 2bck n GLU 89 Ca 0.02 0.26 0.05 0.00 -0.16 0.00 0.00 57.16 57.33 2bck n GLU 89 Cb 0.46 -1.73 0.31 0.00 1.43 0.00 0.00 31.44 31.91 2bck n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bck n ALA 90 N -1.69 2.49 -2.49 -1.84 0.00 -1.26 -4.61 120.51 111.12 2bck n ALA 90 Ca 0.04 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 2bck n ALA 90 Cb 0.30 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 2bck n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bck s GLY 91 N -1.39 1.69 0.13 0.00 0.00 -1.13 -4.85 107.32 101.77 2bck s GLY 91 Ca 0.15 -1.36 -0.19 0.00 0.00 0.00 0.00 44.72 43.32 2bck s GLY 91 CO 0.12 -1.34 0.62 -0.45 0.00 0.00 0.00 173.10 172.05 2bck s SER 92 N -2.16 7.06 0.03 1.64 0.15 -1.26 -4.68 113.70 114.47 2bck s SER 92 Ca 0.18 1.31 -0.05 0.00 0.70 0.00 0.00 55.95 58.09 2bck s SER 92 Cb -0.10 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2bck s SER 92 CO 0.10 0.19 0.08 -1.00 1.20 0.00 0.00 173.24 173.81 2bck s HIS 93 N -1.26 0.19 0.05 3.44 3.76 -1.26 -4.95 115.29 115.26 2bck s HIS 93 Ca 0.34 -0.46 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 2bck s HIS 93 Cb -0.19 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.33 2bck s HIS 93 CO 0.20 -0.32 -0.17 0.99 -0.85 0.00 0.00 174.74 174.60 2bck s THR 94 N -2.24 2.91 -0.18 1.30 2.01 -1.26 -1.78 115.64 116.40 2bck s THR 94 Ca -0.08 -1.18 -0.02 0.00 0.31 0.00 0.00 61.69 60.72 2bck s THR 94 Cb -0.03 -2.25 0.05 0.00 0.01 0.00 0.00 72.50 70.28 2bck s THR 94 CO -0.03 0.31 0.01 -0.22 -0.69 0.00 0.00 174.62 174.00 2bck s LEU 95 N -1.54 1.29 -0.05 4.42 2.96 0.11 -1.48 118.68 124.40 2bck s LEU 95 Ca 0.16 -0.74 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 2bck s LEU 95 Cb -0.11 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 2bck s LEU 95 CO 0.06 -0.27 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.64 2bck s GLN 96 N 1.80 2.63 0.06 1.98 -0.21 0.48 -1.63 119.66 124.78 2bck s GLN 96 Ca -0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.78 2bck s GLN 96 Cb -0.16 -2.51 -0.03 0.00 1.00 0.00 0.00 33.01 31.31 2bck s GLN 96 CO -0.07 0.64 -0.08 1.41 -2.12 0.00 0.00 175.29 175.06 2bck s MET 97 N -0.92 0.65 -0.16 2.91 1.75 -0.94 -0.01 119.30 122.58 2bck s MET 97 Ca 0.13 -0.93 -0.06 0.00 -1.25 0.00 0.00 55.69 53.58 2bck s MET 97 Cb -0.11 -0.35 0.07 0.00 2.84 0.00 0.00 34.83 37.28 2bck s MET 97 CO 0.02 0.05 0.34 1.41 -0.65 0.00 0.00 175.02 176.20 2bck s MET 98 N -2.15 0.26 0.08 4.11 0.00 -0.03 -1.34 119.30 120.23 2bck s MET 98 Ca -0.03 0.83 0.01 0.00 0.00 0.00 0.00 55.69 56.51 2bck s MET 98 Cb -0.06 0.09 -0.04 0.00 0.00 0.00 0.00 34.83 34.82 2bck s MET 98 CO -0.00 -0.24 -0.06 -0.59 0.00 0.00 0.00 175.02 174.13 2bck s PHE 99 N 2.16 0.77 -5.00 4.11 -0.12 -0.95 -0.52 117.98 118.44 2bck s PHE 99 Ca -0.03 -0.81 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 2bck s PHE 99 Cb -0.11 -0.46 0.00 0.00 -0.63 0.00 0.00 43.02 41.82 2bck s PHE 99 CO -0.11 -0.16 0.00 0.41 -0.05 0.00 0.00 175.22 175.31 2bck n GLY 100 N 0.43 -2.75 3.30 1.99 0.00 -0.08 -1.34 105.19 106.74 2bck n GLY 100 Ca -0.16 -1.35 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 2bck n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bck s ASP 102 N -3.34 2.24 0.18 0.00 1.01 -0.40 -1.85 116.67 114.51 2bck s ASP 102 Ca 0.37 -1.02 -0.06 0.00 0.71 0.00 0.00 52.55 52.55 2bck s ASP 102 Cb 0.05 -0.08 -0.02 0.00 1.01 0.00 0.00 42.92 43.88 2bck s ASP 102 CO 0.18 -0.24 0.24 0.68 0.21 0.00 0.00 175.17 176.24 2bck s VAL 103 N -3.13 0.05 0.28 -1.27 -7.23 -0.31 -2.05 120.40 106.74 2bck s VAL 103 Ca 0.20 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2bck s VAL 103 Cb 0.01 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.91 2bck s VAL 103 CO 0.04 -0.23 0.19 0.61 -0.31 0.00 0.00 175.10 175.40 2bck n GLY 104 N -0.23 2.98 0.41 2.32 0.00 -1.05 -2.51 105.19 107.13 2bck n GLY 104 Ca -0.04 -2.24 0.22 0.00 0.00 0.00 0.00 46.02 43.95 2bck n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bck h SER 105 N 0.36 0.26 -0.32 1.61 0.02 -1.93 -0.64 113.55 112.91 2bck h SER 105 Ca -0.18 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2bck h SER 105 Cb 0.64 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 2bck h SER 105 CO 0.28 0.11 0.14 0.44 -1.14 0.00 0.00 176.83 176.66 2bck h ASP 106 N 0.26 0.18 0.00 3.07 3.32 -1.94 -3.45 116.42 117.87 2bck h ASP 106 Ca 0.43 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.51 2bck h ASP 106 Cb 1.28 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2bck h ASP 106 CO -0.11 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 2bck n GLY 107 N -1.20 1.26 3.93 2.75 0.00 -0.25 -5.09 105.19 106.59 2bck n GLY 107 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2bck n GLY 107 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bck s ARG 108 N -0.19 3.53 0.28 1.61 3.52 -1.26 -4.85 118.95 121.58 2bck s ARG 108 Ca 0.00 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 2bck s ARG 108 Cb 0.00 -2.81 -0.10 0.00 -1.56 0.00 0.00 34.95 30.48 2bck s ARG 108 CO 0.00 0.37 1.22 0.12 -0.81 0.00 0.00 175.30 176.21 2bck s PHE 109 N -1.91 3.30 0.03 5.12 2.19 -1.26 -2.51 117.98 122.94 2bck s PHE 109 Ca 0.39 1.49 0.00 0.00 0.33 0.00 0.00 56.93 59.14 2bck s PHE 109 Cb -0.11 -3.50 0.00 0.00 -1.31 0.00 0.00 43.02 38.10 2bck s PHE 109 CO 0.29 -1.33 0.00 1.28 1.83 0.00 0.00 175.22 177.29 2bck n LEU 110 N 1.37 0.33 -3.68 6.12 4.32 -0.87 -4.89 117.00 119.70 2bck n LEU 110 Ca 0.01 0.05 -0.15 0.00 -0.02 0.00 0.00 56.01 55.90 2bck n LEU 110 Cb 0.43 -0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 42.06 2bck n LEU 110 CO 0.57 -0.24 0.17 -0.60 -1.22 0.00 0.00 177.39 176.06 2bck s ARG 111 N -2.00 0.81 0.23 3.23 3.52 -1.26 -4.99 118.95 118.50 2bck s ARG 111 Ca 0.00 -0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.63 2bck s ARG 111 Cb 0.00 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.71 2bck s ARG 111 CO 0.00 -0.24 -0.13 0.20 -0.81 0.00 0.00 175.30 174.32 2bck s GLY 112 N -1.32 1.58 -0.09 8.12 0.00 -1.26 -1.27 107.32 113.08 2bck s GLY 112 Ca -0.12 -1.75 -0.07 0.00 0.00 0.00 0.00 44.72 42.79 2bck s GLY 112 CO 0.06 -1.80 0.23 -0.19 0.00 0.00 0.00 173.10 171.39 2bck s TYR 113 N -2.92 -0.28 -0.26 1.90 1.51 0.74 -4.91 117.35 113.14 2bck s TYR 113 Ca 0.25 0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 56.97 2bck s TYR 113 Cb -0.00 0.06 0.14 0.00 -0.11 0.00 0.00 41.96 42.05 2bck s TYR 113 CO 0.09 -0.17 0.34 -1.58 -1.11 0.00 0.00 175.55 173.12 2bck s HIS 114 N 0.61 -0.67 0.03 2.71 2.46 -1.25 -0.90 115.29 118.28 2bck s HIS 114 Ca -0.04 0.28 -0.01 0.00 0.47 0.00 0.00 55.06 55.77 2bck s HIS 114 Cb -0.05 -0.24 -0.03 0.00 -0.13 0.00 0.00 32.58 32.13 2bck s HIS 114 CO -0.03 -0.84 -0.03 -0.65 -2.47 0.00 0.00 174.74 170.73 2bck s GLN 115 N 2.45 0.43 0.12 2.88 -0.21 0.32 -1.54 119.66 124.13 2bck s GLN 115 Ca 0.10 -0.85 0.06 0.00 0.02 0.00 0.00 55.36 54.70 2bck s GLN 115 Cb -0.14 0.15 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 2bck s GLN 115 CO -0.25 -0.08 -0.15 0.71 -2.12 0.00 0.00 175.29 173.41 2bck s TYR 116 N -2.43 1.47 -0.12 0.91 2.02 -0.39 -0.85 117.35 117.96 2bck s TYR 116 Ca -0.07 -0.52 -0.06 0.00 -0.37 0.00 0.00 57.07 56.05 2bck s TYR 116 Cb -0.03 -0.77 0.05 0.00 -0.40 0.00 0.00 41.96 40.81 2bck s TYR 116 CO -0.05 0.16 0.26 0.00 -1.57 0.00 0.00 175.55 174.36 2bck s ALA 117 N -1.95 -0.61 -0.14 3.71 0.00 0.98 -1.82 121.76 121.93 2bck s ALA 117 Ca 0.08 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 2bck s ALA 117 Cb -0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2bck s ALA 117 CO 0.03 -0.27 -0.10 -0.47 0.00 0.00 0.00 175.76 174.95 2bck s TYR 118 N 1.46 2.87 -1.51 0.00 5.04 -0.02 -0.39 117.35 124.79 2bck s TYR 118 Ca -0.08 -0.59 -0.10 0.00 -2.44 0.00 0.00 57.07 53.86 2bck s TYR 118 Cb -0.10 -1.89 0.07 0.00 0.35 0.00 0.00 41.96 40.39 2bck s TYR 118 CO -0.09 -0.19 0.80 -0.25 -1.34 0.00 0.00 175.55 174.48 2bck n ASP 119 N 3.61 -3.13 0.00 4.32 8.00 -0.55 -1.66 116.55 127.14 2bck n ASP 119 Ca -0.18 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2bck n ASP 119 Cb 0.53 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 2bck n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bck n GLY 120 N -1.66 0.92 3.27 0.44 0.00 -1.26 -5.02 105.19 101.89 2bck n GLY 120 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2bck n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bck s LYS 121 N -0.02 1.12 0.27 1.61 -2.85 -0.66 -5.11 119.74 114.09 2bck s LYS 121 Ca 0.00 -1.32 -0.30 0.00 -1.00 0.00 0.00 55.97 53.35 2bck s LYS 121 Cb 0.00 -1.02 -0.13 0.00 -2.06 0.00 0.00 37.83 34.62 2bck s LYS 121 CO 0.00 0.20 1.44 -0.25 0.10 0.00 0.00 175.35 176.84 2bck n ASP 122 N 0.37 3.08 -0.03 0.03 9.92 -1.26 -0.84 116.55 127.81 2bck n ASP 122 Ca -0.14 1.16 -0.07 0.00 -0.53 0.00 0.00 54.79 55.21 2bck n ASP 122 Cb 0.57 -1.49 -0.02 0.00 -0.64 0.00 0.00 41.12 39.55 2bck n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bck n TYR 123 N 1.69 0.00 -3.74 1.24 9.36 -0.75 -4.67 117.16 120.30 2bck n TYR 123 Ca 0.09 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.18 2bck n TYR 123 Cb 0.34 -0.29 -0.09 0.00 -0.63 0.00 0.00 39.34 38.66 2bck n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2bck s ILE 124 N -2.38 0.04 -0.08 2.97 2.07 -1.22 -1.65 121.20 120.95 2bck s ILE 124 Ca -0.15 -0.30 -0.13 0.00 -1.41 0.00 0.00 60.65 58.66 2bck s ILE 124 Cb 0.03 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 42.03 2bck s ILE 124 CO 0.21 -0.17 0.31 0.00 -1.91 0.00 0.00 174.94 173.39 2bck s ALA 125 N -0.89 -0.78 -0.01 1.50 0.00 -0.61 -1.26 121.76 119.70 2bck s ALA 125 Ca -0.10 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 2bck s ALA 125 Cb -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2bck s ALA 125 CO 0.04 -0.20 0.94 -1.17 0.00 0.00 0.00 175.76 175.37 2bck s LEU 126 N -0.48 4.36 1.14 0.00 2.96 -0.59 0.59 118.68 126.67 2bck s LEU 126 Ca -0.06 1.59 -0.17 0.00 -0.22 0.00 0.00 54.13 55.27 2bck s LEU 126 Cb -0.04 -3.50 0.26 0.00 0.50 0.00 0.00 46.19 43.41 2bck s LEU 126 CO 0.02 -0.25 1.11 -0.54 -1.32 0.00 0.00 176.35 175.38 2bck s LYS 127 N 1.03 -0.69 0.28 1.98 1.02 -0.27 -4.71 119.74 118.38 2bck s LYS 127 Ca 0.50 0.07 -0.03 0.00 0.02 0.00 0.00 55.97 56.53 2bck s LYS 127 Cb -0.20 -1.65 0.39 0.00 -0.52 0.00 0.00 37.83 35.85 2bck s LYS 127 CO 0.26 -3.39 1.90 1.49 -0.92 0.00 0.00 175.35 174.69 2bck h GLU 128 N -2.35 1.03 0.00 1.68 4.22 -1.91 -2.34 114.58 114.91 2bck h GLU 128 Ca -0.48 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 58.84 2bck h GLU 128 Cb 1.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2bck h GLU 128 CO 0.41 0.77 0.00 -0.40 -2.18 0.00 0.00 179.01 177.61 2bck n ASP 129 N -4.35 0.00 -3.19 1.04 5.75 -1.26 -4.77 116.55 109.77 2bck n ASP 129 Ca 0.07 -0.63 -0.22 0.00 -0.01 0.00 0.00 54.79 54.01 2bck n ASP 129 Cb 0.11 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2bck n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2bck n LEU 130 N -1.02 -1.66 0.00 -2.12 4.77 -0.88 -4.78 117.00 111.30 2bck n LEU 130 Ca 0.16 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2bck n LEU 130 Cb 0.08 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 2bck n LEU 130 CO 0.12 0.13 -0.13 0.54 -1.33 0.00 0.00 177.39 176.73 2bck n ARG 131 N -3.65 3.25 -4.00 3.23 1.74 -1.26 -4.72 116.66 111.25 2bck n ARG 131 Ca -0.05 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 2bck n ARG 131 Cb 0.56 -0.51 -0.09 0.00 -1.02 0.00 0.00 32.46 31.40 2bck n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bck s SER 132 N -0.69 0.34 0.37 0.55 1.04 -1.26 -4.95 113.70 109.10 2bck s SER 132 Ca 0.00 -0.83 0.07 0.00 0.48 0.00 0.00 55.95 55.68 2bck s SER 132 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2bck s SER 132 CO 0.00 -0.61 0.41 0.26 0.98 0.00 0.00 173.24 174.28 2bck s TRP 133 N -3.65 2.90 -0.30 5.02 0.52 -1.26 -1.12 118.94 121.05 2bck s TRP 133 Ca 0.04 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.83 2bck s TRP 133 Cb 0.05 -2.04 0.09 0.00 -1.15 0.00 0.00 33.47 30.42 2bck s TRP 133 CO -0.09 -0.05 0.04 0.99 0.02 0.00 0.00 176.95 177.85 2bck s THR 134 N -2.32 1.58 -0.15 2.01 2.01 0.20 -4.83 115.64 114.14 2bck s THR 134 Ca 0.46 -1.69 -0.19 0.00 0.31 0.00 0.00 61.69 60.58 2bck s THR 134 Cb -0.07 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2bck s THR 134 CO 0.29 -0.48 0.53 0.00 -0.69 0.00 0.00 174.62 174.27 2bck s ALA 135 N 1.29 3.49 -0.02 7.40 0.00 -1.26 -1.57 121.76 131.09 2bck s ALA 135 Ca 0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 2bck s ALA 135 Cb -0.18 -2.77 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 2bck s ALA 135 CO -0.13 -0.22 0.72 0.00 0.00 0.00 0.00 175.76 176.13 2bck h ALA 136 N 7.06 -0.64 -4.65 0.00 0.00 -1.58 -3.46 119.26 115.98 2bck h ALA 136 Ca -0.37 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 2bck h ALA 136 Cb 1.17 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2bck h ALA 136 CO 0.75 -0.60 -0.24 -0.40 0.00 0.00 0.00 179.25 178.77 2bck n ASP 137 N -4.66 2.60 0.22 0.00 5.75 -1.26 -5.01 116.55 114.19 2bck n ASP 137 Ca -0.07 -2.16 0.05 0.00 -0.01 0.00 0.00 54.79 52.60 2bck n ASP 137 Cb 0.22 0.15 0.48 0.00 -1.03 0.00 0.00 41.12 40.94 2bck n ASP 137 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 2bck h MET 138 N 0.00 0.00 -0.02 0.11 1.85 -1.98 -0.10 114.93 114.79 2bck h MET 138 Ca -0.22 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.87 2bck h MET 138 Cb 0.68 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.71 2bck h MET 138 CO 0.36 0.23 0.01 0.00 -0.40 0.00 0.00 176.91 177.11 2bck h ALA 139 N 1.77 0.02 -0.46 0.39 0.00 -1.96 -2.57 119.26 116.46 2bck h ALA 139 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2bck h ALA 139 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2bck h ALA 139 CO 0.03 -0.42 0.17 0.00 0.00 0.00 0.00 179.25 179.04 2bck h ALA 140 N 0.89 1.45 -0.98 0.00 0.00 -1.69 -2.34 119.26 116.59 2bck h ALA 140 Ca 0.01 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.96 2bck h ALA 140 Cb 0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 2bck h ALA 140 CO -0.00 0.42 0.61 1.96 0.00 0.00 0.00 179.25 182.24 2bck h GLN 141 N 0.65 0.70 0.51 0.00 1.08 -0.63 0.53 115.11 117.95 2bck h GLN 141 Ca 0.16 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2bck h GLN 141 Cb 0.15 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2bck h GLN 141 CO -0.01 0.46 -0.24 0.82 -0.95 0.00 0.00 178.83 178.91 2bck h ILE 142 N 0.72 0.45 -0.41 2.54 2.04 -1.20 -2.09 117.51 119.56 2bck h ILE 142 Ca 0.53 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 66.19 2bck h ILE 142 Cb 0.88 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 2bck h ILE 142 CO -0.31 0.04 -0.31 0.74 0.00 0.00 0.00 178.15 178.32 2bck h THR 143 N -0.87 0.25 -0.72 -0.27 2.02 -1.14 0.27 112.91 112.45 2bck h THR 143 Ca -0.07 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.26 2bck h THR 143 Cb 0.59 0.25 -0.11 0.00 -1.74 0.00 0.00 68.15 67.15 2bck h THR 143 CO 0.11 0.00 0.18 0.50 0.37 0.00 0.00 175.52 176.68 2bck h LYS 144 N -0.23 0.27 -0.56 6.66 3.64 0.02 0.46 116.57 126.83 2bck h LYS 144 Ca 0.18 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2bck h LYS 144 Cb 0.53 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2bck h LYS 144 CO -0.54 0.18 0.05 -0.09 -2.27 0.00 0.00 179.45 176.78 2bck h ARG 145 N 0.28 0.96 0.28 1.90 2.43 -0.38 -1.33 114.38 118.52 2bck h ARG 145 Ca 0.40 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2bck h ARG 145 Cb 0.68 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2bck h ARG 145 CO -0.49 0.94 -0.14 0.87 -1.51 0.00 0.00 179.97 179.64 2bck h LYS 146 N 0.85 -0.37 -0.80 0.20 1.57 0.11 -2.50 116.57 115.63 2bck h LYS 146 Ca 0.17 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.12 2bck h LYS 146 Cb 0.48 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 2bck h LYS 146 CO 0.02 -0.13 0.53 -1.49 -0.57 0.00 0.00 179.45 177.81 2bck h TRP 147 N -0.56 0.58 -0.49 -1.35 4.06 -0.15 -0.66 115.95 117.38 2bck h TRP 147 Ca -0.04 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.86 2bck h TRP 147 Cb 0.41 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 2bck h TRP 147 CO -0.01 0.21 0.06 0.93 -3.56 0.00 0.00 178.44 176.08 2bck h GLU 148 N 0.49 0.83 -0.46 0.49 5.08 -1.05 -0.84 114.58 119.11 2bck h GLU 148 Ca 0.40 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2bck h GLU 148 Cb 0.83 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2bck h GLU 148 CO -0.14 0.84 0.07 0.00 -1.00 0.00 0.00 179.01 178.77 2bck h ALA 149 N 0.96 1.27 -0.01 3.43 0.00 -0.73 -2.14 119.26 122.03 2bck h ALA 149 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bck h ALA 149 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2bck h ALA 149 CO 0.01 0.50 -0.11 0.00 0.00 0.00 0.00 179.25 179.66 2bck n ALA 150 N -2.47 2.80 -3.62 0.00 0.00 -0.39 -4.95 120.51 111.88 2bck n ALA 150 Ca 0.03 -0.36 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 2bck n ALA 150 Cb 0.24 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.53 2bck n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bck n HIS 151 N -0.51 -2.77 -0.02 0.00 -0.00 -0.41 -4.87 115.22 106.64 2bck n HIS 151 Ca 0.16 1.00 0.02 0.00 -0.00 0.00 0.00 57.72 58.90 2bck n HIS 151 Cb 0.31 -4.93 0.36 0.00 -0.00 0.00 0.00 29.99 25.72 2bck n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2bck h VAL 152 N -2.58 1.15 -0.30 1.59 2.07 -1.58 -3.03 116.25 113.57 2bck h VAL 152 Ca -0.57 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2bck h VAL 152 Cb 1.37 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2bck h VAL 152 CO 0.57 0.18 0.19 0.00 0.02 0.00 0.00 177.57 178.53 2bck h ALA 153 N 1.62 0.38 -0.09 1.67 0.00 -1.90 -1.90 119.26 119.04 2bck h ALA 153 Ca 0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2bck h ALA 153 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2bck h ALA 153 CO -0.02 -0.14 -0.49 1.05 0.00 0.00 0.00 179.25 179.66 2bck h GLU 154 N 0.39 0.24 -0.69 0.00 9.09 -1.82 0.15 114.58 121.94 2bck h GLU 154 Ca 0.11 -0.13 -0.02 0.00 0.05 0.00 0.00 59.36 59.37 2bck h GLU 154 Cb -0.02 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.06 2bck h GLU 154 CO -0.02 0.68 0.35 0.37 0.05 0.00 0.00 179.01 180.43 2bck h GLN 155 N 0.19 0.97 0.10 1.06 4.15 -1.41 -1.86 115.11 118.31 2bck h GLN 155 Ca 0.01 -0.12 -0.26 0.00 0.77 0.00 0.00 58.65 59.05 2bck h GLN 155 Cb 0.93 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.44 2bck h GLN 155 CO 0.08 0.73 -1.17 1.96 -1.93 0.00 0.00 178.83 178.49 2bck h GLN 156 N 0.97 0.28 0.00 1.69 1.08 -0.86 -3.15 115.11 115.12 2bck h GLN 156 Ca 0.24 -0.44 -0.06 0.00 -1.45 0.00 0.00 58.65 56.94 2bck h GLN 156 Cb 0.07 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2bck h GLN 156 CO -0.03 1.19 -0.28 -0.09 -0.95 0.00 0.00 178.83 178.66 2bck h ARG 157 N 0.10 0.00 -0.81 1.46 2.43 -0.53 -1.56 114.38 115.47 2bck h ARG 157 Ca -0.12 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 2bck h ARG 157 Cb 1.88 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.40 2bck h ARG 157 CO 0.19 0.28 0.35 0.00 -1.51 0.00 0.00 179.97 179.28 2bck h ALA 158 N 1.72 1.04 0.39 2.80 0.00 -1.31 -0.76 119.26 123.15 2bck h ALA 158 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2bck h ALA 158 Cb 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2bck h ALA 158 CO 0.04 0.64 -0.19 -0.92 0.00 0.00 0.00 179.25 178.82 2bck h TYR 159 N 1.16 -0.48 0.13 0.00 5.03 -1.42 -2.54 116.97 118.85 2bck h TYR 159 Ca 0.27 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.58 2bck h TYR 159 Cb 0.17 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 2bck h TYR 159 CO 0.02 -0.26 -0.43 -0.07 -1.32 0.00 0.00 178.16 176.10 2bck h LEU 160 N -1.11 -1.28 -1.40 2.82 3.38 -1.25 0.27 115.31 116.73 2bck h LEU 160 Ca -0.05 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2bck h LEU 160 Cb 0.44 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2bck h LEU 160 CO 0.09 -0.46 -0.18 -0.33 0.09 0.00 0.00 178.44 177.65 2bck h GLU 161 N -0.63 0.17 0.00 1.13 5.08 -1.32 -3.29 114.58 115.72 2bck h GLU 161 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2bck h GLU 161 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2bck h GLU 161 CO -0.22 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.56 2bck n GLY 162 N -0.82 -0.01 0.37 -3.84 0.00 -0.96 -4.65 105.19 95.29 2bck n GLY 162 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2bck n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bck h THR 163 N 0.00 0.07 -0.73 2.61 2.02 -1.47 -2.78 112.91 112.62 2bck h THR 163 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2bck h THR 163 Cb 0.00 0.07 -0.11 0.00 -1.74 0.00 0.00 68.15 66.37 2bck h THR 163 CO 0.00 0.00 -0.50 0.00 0.37 0.00 0.00 175.52 175.39 2bck h VAL 165 N -0.16 1.19 -0.08 0.00 -1.51 -1.56 -2.29 116.25 111.84 2bck h VAL 165 Ca 0.17 -0.67 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2bck h VAL 165 Cb 0.53 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 30.40 2bck h VAL 165 CO -0.79 0.25 0.04 0.44 -1.23 0.00 0.00 177.57 176.28 2bck h ASP 166 N 0.65 0.10 0.27 4.19 5.19 -1.09 -1.31 116.42 124.42 2bck h ASP 166 Ca 0.15 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2bck h ASP 166 Cb 0.22 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 2bck h ASP 166 CO -0.01 0.17 -0.06 1.23 -3.12 0.00 0.00 179.24 177.46 2bck h GLY 167 N 0.01 0.00 0.89 2.75 0.00 -1.03 -1.59 103.07 104.11 2bck h GLY 167 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 2bck h GLY 167 CO -0.00 0.00 -0.94 -2.00 0.00 0.00 0.00 176.54 173.60 2bck h LEU 168 N 0.00 0.62 -1.32 3.11 5.85 -0.88 -2.65 115.31 120.04 2bck h LEU 168 Ca -0.00 -0.88 -0.07 0.00 0.84 0.00 0.00 57.88 57.77 2bck h LEU 168 Cb 0.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2bck h LEU 168 CO 0.01 1.44 -0.27 0.03 -0.34 0.00 0.00 178.44 179.31 2bck h ARG 169 N -0.11 0.11 -0.25 1.25 3.08 -0.78 -0.26 114.38 117.42 2bck h ARG 169 Ca -0.15 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 2bck h ARG 169 Cb 1.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 2bck h ARG 169 CO 0.18 0.38 -0.47 -0.09 -1.07 0.00 0.00 179.97 178.90 2bck h ARG 170 N 0.11 0.65 0.01 0.04 2.43 -1.35 -2.38 114.38 113.89 2bck h ARG 170 Ca 0.02 -0.37 -0.22 0.00 -0.81 0.00 0.00 59.98 58.60 2bck h ARG 170 Cb 0.53 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2bck h ARG 170 CO 0.04 0.98 -0.95 1.88 -1.51 0.00 0.00 179.97 180.40 2bck h TYR 171 N 0.52 0.50 0.00 2.20 0.05 -1.03 0.20 116.97 119.41 2bck h TYR 171 Ca 0.03 -0.28 -0.07 0.00 0.05 0.00 0.00 58.73 58.46 2bck h TYR 171 Cb 1.01 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 2bck h TYR 171 CO 0.05 1.11 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.85 2bck h LEU 172 N 0.18 0.00 0.00 3.88 3.38 -1.01 0.17 115.31 121.91 2bck h LEU 172 Ca -0.07 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.61 2bck h LEU 172 Cb 1.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 2bck h LEU 172 CO 0.16 0.35 -1.57 1.21 0.09 0.00 0.00 178.44 178.68 2bck n GLU 173 N -3.69 0.57 0.00 1.13 0.00 -0.90 -2.53 120.64 115.22 2bck n GLU 173 Ca -0.01 0.50 0.07 0.00 0.00 0.00 0.00 57.16 57.72 2bck n GLU 173 Cb 0.45 -1.68 0.39 0.00 0.00 0.00 0.00 31.44 30.60 2bck n GLU 173 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2bck n ASN 174 N -4.39 0.00 -0.82 4.31 4.05 0.06 -1.66 115.26 116.81 2bck n ASN 174 Ca -0.37 -0.22 0.03 0.00 0.45 0.00 0.00 54.58 54.47 2bck n ASN 174 Cb 0.72 -0.12 0.03 0.00 1.23 0.00 0.00 39.78 41.64 2bck n ASN 174 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bck n GLY 175 N -0.12 1.36 0.41 8.20 0.00 0.60 -4.92 105.19 110.73 2bck n GLY 175 Ca 0.09 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2bck n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bck n LYS 176 N -0.02 -0.42 -0.23 1.61 5.02 -0.66 -1.48 118.16 121.98 2bck n LYS 176 Ca 0.05 1.49 -0.06 0.00 -2.02 0.00 0.00 58.31 57.77 2bck n LYS 176 Cb 0.85 -2.19 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 2bck n LYS 176 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2bck n GLU 177 N -5.24 -0.24 -0.10 1.97 2.13 -1.26 -2.00 120.64 115.89 2bck n GLU 177 Ca 0.03 0.84 -0.19 0.00 0.66 0.00 0.00 57.16 58.50 2bck n GLU 177 Cb 0.27 -1.24 -0.09 0.00 0.27 0.00 0.00 31.44 30.65 2bck n GLU 177 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2bck n THR 178 N -4.71 1.51 0.12 6.31 -1.04 -0.99 -4.16 114.28 111.32 2bck n THR 178 Ca 0.01 -0.01 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 2bck n THR 178 Cb 0.15 -2.11 0.75 0.00 -1.82 0.00 0.00 70.33 67.31 2bck n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2bck h LEU 179 N -1.00 0.00 -3.41 -4.42 3.38 -1.21 -0.90 115.31 107.75 2bck h LEU 179 Ca -0.31 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.49 2bck h LEU 179 Cb 1.17 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 2bck h LEU 179 CO -0.19 0.00 0.03 0.00 0.09 0.00 0.00 178.44 178.38 2bck n GLN 180 N -4.04 2.25 -2.82 1.13 6.02 -0.85 -4.97 117.38 114.10 2bck n GLN 180 Ca 0.05 -3.07 -0.41 0.00 -0.01 0.00 0.00 57.00 53.56 2bck n GLN 180 Cb 0.46 -1.88 -0.05 0.00 1.02 0.00 0.00 30.24 29.79 2bck n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2bck s ARG 181 N -3.13 4.61 -0.36 -1.09 3.52 -0.34 -5.03 118.95 117.14 2bck s ARG 181 Ca 0.46 1.30 0.01 0.00 -0.13 0.00 0.00 55.73 57.36 2bck s ARG 181 Cb 0.40 -3.38 0.11 0.00 -1.56 0.00 0.00 34.95 30.52 2bck s ARG 181 CO 0.04 0.22 0.14 -0.08 -0.81 0.00 0.00 175.30 174.81 2bck s THR 182 N 0.05 1.15 -0.25 4.11 -1.32 -1.26 -4.50 115.64 113.63 2bck s THR 182 Ca 0.44 -1.86 -0.19 0.00 -1.21 0.00 0.00 61.69 58.87 2bck s THR 182 Cb -0.22 -1.85 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 2bck s THR 182 CO 0.27 -0.75 0.54 -1.81 -2.21 0.00 0.00 174.62 170.66 2bck s ASP 183 N 1.14 6.49 0.59 8.08 1.01 0.15 -4.76 116.67 129.37 2bck s ASP 183 Ca 0.13 0.60 -0.17 0.00 0.71 0.00 0.00 52.55 53.81 2bck s ASP 183 Cb -0.20 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2bck s ASP 183 CO -0.15 -0.28 1.08 -2.16 0.21 0.00 0.00 175.17 173.88 2bck s PRO 184 N 2.19 3.24 0.19 8.23 0.04 -1.26 -2.54 135.00 145.10 2bck s PRO 184 Ca 0.23 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 2bck s PRO 184 Cb -0.16 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2bck s PRO 184 CO 0.09 -0.89 0.98 -1.25 0.04 0.00 0.00 177.00 175.97 2bck s PRO 185 N -3.82 4.76 -0.81 0.56 0.04 -1.26 -4.51 135.00 129.96 2bck s PRO 185 Ca 0.67 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 63.07 2bck s PRO 185 Cb -0.19 -3.31 0.16 0.00 0.04 0.00 0.00 34.50 31.20 2bck s PRO 185 CO 0.34 0.34 0.90 0.15 0.04 0.00 0.00 177.00 178.77 2bck s LYS 186 N -0.71 3.47 0.29 4.56 1.02 -0.19 -4.79 119.74 123.39 2bck s LYS 186 Ca 0.44 -1.91 -0.05 0.00 0.02 0.00 0.00 55.97 54.48 2bck s LYS 186 Cb -0.26 -4.58 0.07 0.00 -0.52 0.00 0.00 37.83 32.54 2bck s LYS 186 CO 0.32 -1.54 0.31 0.25 -0.92 0.00 0.00 175.35 173.77 2bck n THR 187 N 4.96 0.00 0.00 2.17 -2.24 -1.25 -3.07 114.28 114.85 2bck n THR 187 Ca 0.12 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2bck n THR 187 Cb 0.47 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 2bck n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bck n HIS 188 N -2.85 0.00 -4.36 4.78 1.44 -1.09 -4.93 115.22 108.21 2bck n HIS 188 Ca 0.04 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.56 2bck n HIS 188 Cb 0.15 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.16 2bck n HIS 188 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2bck s MET 189 N -2.18 1.36 -0.01 -1.40 -1.94 -0.78 -1.27 119.30 113.07 2bck s MET 189 Ca 0.00 -1.59 0.02 0.00 -1.71 0.00 0.00 55.69 52.41 2bck s MET 189 Cb 0.00 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.65 2bck s MET 189 CO 0.00 0.20 -0.06 0.95 -0.01 0.00 0.00 175.02 176.11 2bck s THR 190 N -2.86 0.50 -0.19 2.05 -4.23 -1.06 -4.89 115.64 104.96 2bck s THR 190 Ca 0.23 -0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 60.42 2bck s THR 190 Cb -0.01 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.34 2bck s THR 190 CO 0.08 0.16 0.07 -2.28 -0.54 0.00 0.00 174.62 172.10 2bck s HIS 191 N 0.06 3.23 -0.18 3.99 2.46 -1.26 -1.52 115.29 122.06 2bck s HIS 191 Ca -0.00 0.02 -0.02 0.00 0.47 0.00 0.00 55.06 55.53 2bck s HIS 191 Cb -0.05 -2.11 0.05 0.00 -0.13 0.00 0.00 32.58 30.34 2bck s HIS 191 CO -0.00 0.08 0.01 -1.01 -2.47 0.00 0.00 174.74 171.35 2bck s HIS 192 N 0.58 1.24 0.23 3.88 3.76 -0.07 -4.98 115.29 119.93 2bck s HIS 192 Ca 0.04 -0.93 -0.30 0.00 -0.15 0.00 0.00 55.06 53.72 2bck s HIS 192 Cb -0.13 -1.11 -0.09 0.00 1.11 0.00 0.00 32.58 32.36 2bck s HIS 192 CO 0.01 -0.61 1.30 -1.25 -0.85 0.00 0.00 174.74 173.34 2bck s PRO 193 N 1.79 4.40 -0.25 8.40 0.04 -1.26 0.82 135.00 148.93 2bck s PRO 193 Ca -0.01 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 2bck s PRO 193 Cb -0.17 -3.17 -0.15 0.00 0.04 0.00 0.00 34.50 31.05 2bck s PRO 193 CO -0.07 -0.21 -0.17 -0.89 0.04 0.00 0.00 177.00 175.70 2bck n ILE 194 N 2.19 1.54 -3.25 0.56 5.41 -0.23 -4.82 119.36 120.76 2bck n ILE 194 Ca 0.05 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.47 2bck n ILE 194 Cb 0.43 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 2bck n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2bck n SER 195 N -4.16 0.00 0.07 4.38 3.41 -0.54 -4.99 113.62 111.78 2bck n SER 195 Ca -0.47 -0.50 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 2bck n SER 195 Cb 0.85 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.25 2bck n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bck n ASP 196 N -1.25 0.42 0.00 4.04 5.68 -1.26 -3.68 116.55 120.51 2bck n ASP 196 Ca 0.00 0.58 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 2bck n ASP 196 Cb 0.00 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 2bck n ASP 196 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bck n HIS 197 N -1.94 0.00 -4.13 2.11 1.44 -1.26 -5.02 115.22 106.42 2bck n HIS 197 Ca 0.04 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 2bck n HIS 197 Cb 0.27 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.27 2bck n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2bck s GLU 198 N -0.20 0.72 0.10 -1.40 2.02 -1.24 -2.16 118.70 116.53 2bck s GLU 198 Ca 0.00 -1.00 -0.06 0.00 0.02 0.00 0.00 54.97 53.92 2bck s GLU 198 Cb 0.00 -0.43 -0.02 0.00 0.10 0.00 0.00 34.13 33.79 2bck s GLU 198 CO 0.00 0.07 0.15 0.00 0.02 0.00 0.00 175.26 175.49 2bck s ALA 199 N -2.07 0.13 -0.10 5.21 0.00 0.00 -1.06 121.76 123.86 2bck s ALA 199 Ca -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2bck s ALA 199 Cb -0.05 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 2bck s ALA 199 CO -0.00 -0.51 -0.01 0.99 0.00 0.00 0.00 175.76 176.23 2bck s THR 200 N -3.92 4.20 -0.28 0.00 2.01 0.24 0.21 115.64 118.10 2bck s THR 200 Ca 0.11 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2bck s THR 200 Cb 0.06 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.82 2bck s THR 200 CO -0.07 0.57 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.66 2bck s LEU 201 N -0.56 3.66 0.05 4.42 1.43 0.46 -0.89 118.68 127.25 2bck s LEU 201 Ca 0.09 -1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 51.89 2bck s LEU 201 Cb -0.12 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 2bck s LEU 201 CO 0.02 -0.22 0.50 -0.60 0.23 0.00 0.00 176.35 176.28 2bck s ARG 202 N 1.28 4.06 -0.15 1.70 6.06 -0.58 -2.28 118.95 129.04 2bck s ARG 202 Ca -0.03 0.57 0.00 0.00 -2.50 0.00 0.00 55.73 53.77 2bck s ARG 202 Cb -0.19 -3.21 0.02 0.00 0.06 0.00 0.00 34.95 31.64 2bck s ARG 202 CO -0.02 0.65 -0.14 0.00 -2.50 0.00 0.00 175.30 173.29 2bck s TRP 204 N 1.49 2.83 -0.07 0.00 0.52 -0.40 -1.13 118.94 122.20 2bck s TRP 204 Ca 0.05 -0.08 -0.01 0.00 0.02 0.00 0.00 56.10 56.08 2bck s TRP 204 Cb -0.13 -1.56 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 2bck s TRP 204 CO -0.10 0.38 -0.01 0.00 0.02 0.00 0.00 176.95 177.23 2bck s ALA 205 N -1.05 0.74 0.18 0.98 0.00 -0.26 -2.68 121.76 119.67 2bck s ALA 205 Ca 0.18 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.06 2bck s ALA 205 Cb -0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 2bck s ALA 205 CO 0.09 -0.38 -0.12 -0.51 0.00 0.00 0.00 175.76 174.85 2bck s LEU 206 N 1.76 2.54 -1.47 0.00 1.43 -1.17 -1.14 118.68 120.62 2bck s LEU 206 Ca 0.02 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 2bck s LEU 206 Cb -0.13 -0.50 0.08 0.00 0.03 0.00 0.00 46.19 45.67 2bck s LEU 206 CO -0.05 -0.26 0.78 0.61 0.23 0.00 0.00 176.35 177.66 2bck n GLY 207 N -0.29 -0.50 3.83 -3.19 0.00 -0.88 -1.02 105.19 103.14 2bck n GLY 207 Ca -0.09 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2bck n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bck s PHE 208 N -3.17 3.31 -0.20 1.61 -0.12 -0.91 -4.70 117.98 113.81 2bck s PHE 208 Ca 0.54 0.13 -0.14 0.00 -0.05 0.00 0.00 56.93 57.42 2bck s PHE 208 Cb -0.28 -1.66 0.06 0.00 -0.63 0.00 0.00 43.02 40.51 2bck s PHE 208 CO 0.67 0.54 0.51 -0.47 -0.05 0.00 0.00 175.22 176.42 2bck s TYR 209 N -1.46 -0.68 1.28 3.49 5.04 -1.05 -0.30 117.35 123.67 2bck s TYR 209 Ca 0.31 1.49 -0.21 0.00 -2.44 0.00 0.00 57.07 56.22 2bck s TYR 209 Cb -0.12 0.31 0.33 0.00 0.35 0.00 0.00 41.96 42.83 2bck s TYR 209 CO 0.24 -0.35 0.85 -0.35 -1.34 0.00 0.00 175.55 174.61 2bck n PRO 210 N 3.70 -4.15 0.15 4.97 -0.04 -1.26 -0.67 135.00 137.69 2bck n PRO 210 Ca -0.19 -1.41 0.13 0.00 -0.04 0.00 0.00 63.50 61.99 2bck n PRO 210 Cb 0.56 -1.66 0.30 0.00 -0.04 0.00 0.00 33.50 32.66 2bck n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bck h ALA 211 N -3.26 0.98 -2.72 0.55 0.00 -1.95 -3.46 119.26 109.39 2bck h ALA 211 Ca -0.36 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 2bck h ALA 211 Cb 1.19 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.04 2bck h ALA 211 CO 0.22 0.00 0.78 -2.00 0.00 0.00 0.00 179.25 178.26 2bck s GLU 212 N -3.15 4.25 -0.06 0.00 2.56 -1.26 -4.98 118.70 116.06 2bck s GLU 212 Ca 0.09 2.32 -0.31 0.00 0.00 0.00 0.00 54.97 57.07 2bck s GLU 212 Cb 0.09 -3.12 0.11 0.00 2.00 0.00 0.00 34.13 33.22 2bck s GLU 212 CO 0.63 -0.46 0.98 -1.50 -0.56 0.00 0.00 175.26 174.35 2bck s ILE 213 N 0.20 0.00 -0.15 -3.70 2.07 -1.26 -4.67 121.20 113.69 2bck s ILE 213 Ca 0.61 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.81 2bck s ILE 213 Cb -0.42 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.23 2bck s ILE 213 CO 0.41 0.00 0.15 -0.89 -1.91 0.00 0.00 174.94 172.70 2bck s THR 214 N -2.86 -0.21 -0.18 4.00 2.01 -0.79 -4.99 115.64 112.62 2bck s THR 214 Ca 0.06 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 2bck s THR 214 Cb -0.01 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 2bck s THR 214 CO -0.08 -0.11 0.16 -0.76 -0.69 0.00 0.00 174.62 173.14 2bck s LEU 215 N 2.24 4.25 -0.04 4.42 1.43 -1.26 -1.94 118.68 127.78 2bck s LEU 215 Ca 0.04 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2bck s LEU 215 Cb -0.15 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 43.97 2bck s LEU 215 CO -0.09 0.21 0.01 -0.89 0.23 0.00 0.00 176.35 175.83 2bck s THR 216 N 0.12 0.17 0.13 5.49 2.01 -0.11 -4.95 115.64 118.50 2bck s THR 216 Ca 0.10 0.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 2bck s THR 216 Cb -0.12 -0.32 -0.07 0.00 0.01 0.00 0.00 72.50 72.00 2bck s THR 216 CO -0.00 0.19 0.64 0.26 -0.69 0.00 0.00 174.62 175.01 2bck s TRP 217 N 1.57 3.77 -0.08 4.92 0.52 -1.26 -0.71 118.94 127.67 2bck s TRP 217 Ca -0.02 1.33 -0.09 0.00 0.02 0.00 0.00 56.10 57.34 2bck s TRP 217 Cb -0.13 -2.55 0.02 0.00 -1.15 0.00 0.00 33.47 29.66 2bck s TRP 217 CO -0.03 0.50 0.25 -1.14 0.02 0.00 0.00 176.95 176.55 2bck s GLN 218 N -1.41 0.37 -0.25 4.98 0.74 -0.32 -1.21 119.66 122.56 2bck s GLN 218 Ca 0.34 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.96 2bck s GLN 218 Cb -0.19 0.17 0.07 0.00 1.10 0.00 0.00 33.01 34.16 2bck s GLN 218 CO 0.21 -0.06 -0.01 0.50 -0.55 0.00 0.00 175.29 175.37 2bck s ARG 219 N -0.21 1.36 -1.54 1.67 3.52 0.20 -0.48 118.95 123.47 2bck s ARG 219 Ca -0.03 -1.01 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 2bck s ARG 219 Cb -0.03 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 2bck s ARG 219 CO 0.01 -0.69 0.00 -0.25 -0.81 0.00 0.00 175.30 173.56 2bck n ASP 220 N 4.71 -5.11 0.00 -2.12 8.00 -1.05 -2.27 116.55 118.70 2bck n ASP 220 Ca -0.09 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2bck n ASP 220 Cb 0.44 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 2bck n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bck n GLY 221 N -0.99 0.36 3.65 0.44 0.00 -1.26 -5.07 105.19 102.32 2bck n GLY 221 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2bck n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bck s GLU 222 N -0.96 3.19 0.10 1.61 2.02 -0.96 -5.07 118.70 118.62 2bck s GLU 222 Ca 0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 54.97 54.26 2bck s GLU 222 Cb 0.00 -2.85 -0.07 0.00 0.10 0.00 0.00 34.13 31.32 2bck s GLU 222 CO 0.00 0.59 1.23 -0.51 0.02 0.00 0.00 175.26 176.59 2bck s ASP 223 N -0.56 7.04 -1.58 -0.19 -0.00 -1.26 -0.63 116.67 119.48 2bck s ASP 223 Ca 0.09 2.12 -0.10 0.00 -0.00 0.00 0.00 52.55 54.66 2bck s ASP 223 Cb -0.12 -2.59 -0.06 0.00 -0.00 0.00 0.00 42.92 40.16 2bck s ASP 223 CO 0.02 -0.48 2.84 0.00 -0.00 0.00 0.00 175.17 177.55 2bck n GLN 224 N 3.60 3.70 0.00 8.23 1.13 -0.35 -4.80 117.38 128.89 2bck n GLN 224 Ca 0.08 -2.36 0.00 0.00 -1.94 0.00 0.00 57.00 52.79 2bck n GLN 224 Cb 0.45 -2.84 0.00 0.00 0.11 0.00 0.00 30.24 27.97 2bck n GLN 224 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2bck n THR 225 N 3.58 0.00 -0.93 5.09 -1.04 -1.26 -2.86 114.28 116.86 2bck n THR 225 Ca 0.75 1.14 -0.01 0.00 -2.04 0.00 0.00 64.05 63.89 2bck n THR 225 Cb 0.25 -1.60 0.34 0.00 -1.82 0.00 0.00 70.33 67.50 2bck n THR 225 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bck n GLN 226 N -1.82 4.20 -0.09 -2.82 6.02 -1.26 -4.07 117.38 117.54 2bck n GLN 226 Ca 0.00 -3.05 0.07 0.00 -0.01 0.00 0.00 57.00 54.01 2bck n GLN 226 Cb 0.00 -2.23 0.11 0.00 1.02 0.00 0.00 30.24 29.14 2bck n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2bck n ASP 227 N 0.20 2.42 -4.11 1.08 8.00 -1.13 -4.99 116.55 118.02 2bck n ASP 227 Ca 0.35 -2.72 -0.31 0.00 0.71 0.00 0.00 54.79 52.81 2bck n ASP 227 Cb 1.29 -0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.92 2bck n ASP 227 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2bck s THR 228 N -2.25 1.86 0.35 -3.53 -1.32 -1.21 -4.49 115.64 105.04 2bck s THR 228 Ca 0.23 -0.84 -0.26 0.00 -1.21 0.00 0.00 61.69 59.61 2bck s THR 228 Cb 0.20 -1.68 -0.09 0.00 -1.51 0.00 0.00 72.50 69.42 2bck s THR 228 CO 0.03 0.51 1.09 -0.70 -2.21 0.00 0.00 174.62 173.34 2bck s GLU 229 N 1.11 4.34 -0.13 7.08 2.56 0.60 -4.89 118.70 129.36 2bck s GLU 229 Ca -0.01 1.68 -0.14 0.00 0.00 0.00 0.00 54.97 56.50 2bck s GLU 229 Cb -0.14 -2.82 0.04 0.00 2.00 0.00 0.00 34.13 33.20 2bck s GLU 229 CO -0.07 -0.03 0.38 -1.17 -0.56 0.00 0.00 175.26 173.82 2bck s LEU 230 N -2.14 0.53 0.37 2.70 2.96 -1.26 -0.41 118.68 121.43 2bck s LEU 230 Ca 0.52 0.70 0.08 0.00 -0.22 0.00 0.00 54.13 55.21 2bck s LEU 230 Cb -0.27 1.35 -0.04 0.00 0.50 0.00 0.00 46.19 47.73 2bck s LEU 230 CO 0.35 -0.18 0.22 0.68 -1.32 0.00 0.00 176.35 176.09 2bck s VAL 231 N -0.01 2.88 0.67 1.68 -7.23 -1.07 -5.04 120.40 112.28 2bck s VAL 231 Ca -0.02 -1.58 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 2bck s VAL 231 Cb -0.03 -3.02 0.01 0.00 0.56 0.00 0.00 36.38 33.90 2bck s VAL 231 CO 0.01 -0.11 1.12 -1.61 -0.31 0.00 0.00 175.10 174.21 2bck s GLU 232 N -3.94 2.70 -0.18 4.82 2.02 -1.26 -4.75 118.70 118.11 2bck s GLU 232 Ca 0.41 1.44 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 2bck s GLU 232 Cb -0.02 -1.93 -0.00 0.00 0.10 0.00 0.00 34.13 32.27 2bck s GLU 232 CO 0.24 -1.34 1.12 0.99 0.02 0.00 0.00 175.26 176.29 2bck s THR 233 N -2.29 4.53 0.09 3.63 2.01 -1.26 -4.81 115.64 117.54 2bck s THR 233 Ca 0.68 1.85 0.05 0.00 0.31 0.00 0.00 61.69 64.58 2bck s THR 233 Cb -0.22 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2bck s THR 233 CO 0.42 -0.13 -0.03 0.00 -0.69 0.00 0.00 174.62 174.19 2bck s ARG 234 N 3.06 2.45 0.13 4.92 1.70 -0.70 -4.93 118.95 125.57 2bck s ARG 234 Ca 0.49 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 2bck s ARG 234 Cb -0.18 -2.48 -0.06 0.00 -0.57 0.00 0.00 34.95 31.65 2bck s ARG 234 CO 0.11 0.54 1.05 -1.25 -1.08 0.00 0.00 175.30 174.67 2bck s PRO 235 N -2.25 4.62 0.34 3.89 0.04 -1.26 -0.63 135.00 139.74 2bck s PRO 235 Ca 0.24 1.60 0.26 0.00 0.04 0.00 0.00 61.00 63.15 2bck s PRO 235 Cb -0.12 -3.33 1.00 0.00 0.04 0.00 0.00 34.50 32.09 2bck s PRO 235 CO 0.17 0.09 1.78 0.00 0.04 0.00 0.00 177.00 179.08 2bck h ALA 236 N 5.56 1.00 0.00 8.56 0.00 -1.50 -3.46 119.26 129.41 2bck h ALA 236 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bck h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2bck h ALA 236 CO 0.73 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2bck n GLY 237 N 0.32 0.44 0.07 0.00 0.00 -1.26 -4.92 105.19 99.84 2bck n GLY 237 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2bck n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bck n ASP 238 N 0.00 1.68 0.00 1.61 5.68 -1.26 -4.97 116.55 119.29 2bck n ASP 238 Ca 0.00 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 2bck n ASP 238 Cb 0.00 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 2bck n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bck n GLY 239 N -0.72 3.11 4.00 6.12 0.00 -1.26 -5.07 105.19 111.37 2bck n GLY 239 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2bck n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bck s THR 240 N -2.70 2.78 0.23 2.61 -4.23 -1.26 -4.85 115.64 108.21 2bck s THR 240 Ca 0.00 -0.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 2bck s THR 240 Cb 0.00 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 2bck s THR 240 CO 0.00 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.66 2bck s PHE 241 N -2.52 1.65 0.12 3.99 0.40 0.60 -1.28 117.98 120.94 2bck s PHE 241 Ca 0.57 -0.77 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 2bck s PHE 241 Cb -0.09 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.49 2bck s PHE 241 CO 0.36 0.14 -0.10 -0.65 0.70 0.00 0.00 175.22 175.67 2bck s GLN 242 N -3.77 0.94 -0.17 0.44 -0.21 0.19 -2.07 119.66 115.02 2bck s GLN 242 Ca 0.26 -1.32 -0.29 0.00 0.02 0.00 0.00 55.36 54.03 2bck s GLN 242 Cb 0.04 -0.53 0.12 0.00 1.00 0.00 0.00 33.01 33.64 2bck s GLN 242 CO 0.08 0.07 0.99 0.21 -2.12 0.00 0.00 175.29 174.51 2bck s LYS 243 N -3.38 0.60 0.03 2.91 2.20 -0.29 -1.72 119.74 120.10 2bck s LYS 243 Ca 0.12 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.93 2bck s LYS 243 Cb 0.01 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 2bck s LYS 243 CO -0.00 -0.17 -0.01 1.67 -0.36 0.00 0.00 175.35 176.47 2bck s TRP 244 N -0.90 0.33 0.02 4.03 1.48 -1.26 -1.10 118.94 121.54 2bck s TRP 244 Ca -0.01 -0.69 0.02 0.00 -1.06 0.00 0.00 56.10 54.36 2bck s TRP 244 Cb -0.01 -0.24 -0.01 0.00 -1.16 0.00 0.00 33.47 32.04 2bck s TRP 244 CO 0.01 -0.27 -0.07 0.00 -4.06 0.00 0.00 176.95 172.55 2bck s ALA 245 N -2.38 0.57 0.05 2.67 0.00 -0.28 -2.60 121.76 119.79 2bck s ALA 245 Ca -0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 2bck s ALA 245 Cb -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2bck s ALA 245 CO -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 175.76 175.75 2bck s ALA 246 N -0.75 0.52 -0.02 0.00 0.00 0.45 0.15 121.76 122.10 2bck s ALA 246 Ca -0.03 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 2bck s ALA 246 Cb -0.06 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.32 2bck s ALA 246 CO 0.00 -0.34 0.19 0.14 0.00 0.00 0.00 175.76 175.76 2bck s VAL 247 N -3.67 0.06 -0.26 0.00 -7.23 -0.97 -0.29 120.40 108.04 2bck s VAL 247 Ca 0.05 -0.46 -0.23 0.00 -1.81 0.00 0.00 61.98 59.54 2bck s VAL 247 Cb 0.06 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 2bck s VAL 247 CO -0.09 -0.25 0.75 0.68 -0.31 0.00 0.00 175.10 175.88 2bck s VAL 248 N -0.96 4.88 -0.19 1.32 -7.23 -1.26 -0.40 120.40 116.56 2bck s VAL 248 Ca -0.10 1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 61.39 2bck s VAL 248 Cb -0.05 -4.05 -0.02 0.00 0.56 0.00 0.00 36.38 32.81 2bck s VAL 248 CO 0.02 -0.06 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.01 2bck s VAL 249 N 2.74 3.56 -0.64 1.32 1.01 0.57 -4.92 120.40 124.03 2bck s VAL 249 Ca 0.31 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 2bck s VAL 249 Cb -0.15 -2.59 -0.12 0.00 0.00 0.00 0.00 36.38 33.52 2bck s VAL 249 CO 0.08 0.45 2.49 -2.65 0.00 0.00 0.00 175.10 175.48 2bck n PRO 250 N 4.24 0.73 -1.28 2.72 -0.02 -1.26 -0.82 135.00 139.32 2bck n PRO 250 Ca -0.18 0.02 -0.47 0.00 -2.02 0.00 0.00 63.50 60.85 2bck n PRO 250 Cb 0.52 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.16 2bck n PRO 250 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bck n SER 251 N 13.89 -0.54 0.00 2.55 3.41 -0.92 -1.69 113.62 130.32 2bck n SER 251 Ca 0.46 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 60.08 2bck n SER 251 Cb 0.37 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2bck n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bck n GLY 252 N 1.53 2.04 1.98 5.00 0.00 -1.26 -4.91 105.19 109.58 2bck n GLY 252 Ca 0.17 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2bck n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bck n GLU 253 N 0.00 2.24 -0.18 1.61 1.02 -0.68 -4.67 120.64 119.98 2bck n GLU 253 Ca 0.00 -3.05 0.03 0.00 -0.02 0.00 0.00 57.16 54.12 2bck n GLU 253 Cb 0.00 -2.10 0.30 0.00 -0.02 0.00 0.00 31.44 29.62 2bck n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bck h GLU 254 N 1.09 0.85 0.00 3.49 3.07 -1.91 -2.29 114.58 118.87 2bck h GLU 254 Ca 0.53 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 2bck h GLU 254 Cb 2.58 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 30.30 2bck h GLU 254 CO 0.93 0.56 -0.01 -0.56 -1.40 0.00 0.00 179.01 178.53 2bck h GLN 255 N 0.87 0.00 0.00 2.33 3.07 -1.86 -2.98 115.11 116.54 2bck h GLN 255 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.95 2bck h GLN 255 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 2bck h GLN 255 CO -0.07 0.01 -0.30 0.00 0.09 0.00 0.00 178.83 178.56 2bck h ARG 256 N 0.00 0.00 -6.59 0.06 3.08 -1.79 -3.45 114.38 105.69 2bck h ARG 256 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2bck h ARG 256 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2bck h ARG 256 CO 0.00 0.30 0.02 0.71 -1.07 0.00 0.00 179.97 179.93 2bck s TYR 257 N -3.86 3.42 0.02 3.04 1.51 -1.13 -2.54 117.35 117.82 2bck s TYR 257 Ca -0.01 1.11 0.00 0.00 -1.01 0.00 0.00 57.07 57.16 2bck s TYR 257 Cb 0.12 -2.44 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 2bck s TYR 257 CO 0.66 0.19 -0.03 0.95 -1.11 0.00 0.00 175.55 176.22 2bck s THR 258 N -1.86 0.11 -0.12 -0.71 -4.23 0.37 -4.62 115.64 104.58 2bck s THR 258 Ca 0.50 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 2bck s THR 258 Cb -0.11 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 2bck s THR 258 CO 0.19 -0.46 -0.17 0.00 -0.54 0.00 0.00 174.62 173.64 2bck s HIS 260 N 0.32 2.74 -0.09 0.00 3.76 0.11 -0.08 115.29 122.04 2bck s HIS 260 Ca -0.13 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.29 2bck s HIS 260 Cb -0.16 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.78 2bck s HIS 260 CO 0.07 -0.10 -0.18 0.08 -0.85 0.00 0.00 174.74 173.75 2bck s VAL 261 N -0.01 1.65 -0.07 -0.90 1.01 -0.98 -0.94 120.40 120.16 2bck s VAL 261 Ca -0.04 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2bck s VAL 261 Cb -0.14 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2bck s VAL 261 CO 0.04 0.47 -0.22 -1.10 0.00 0.00 0.00 175.10 174.29 2bck s GLN 262 N 0.63 2.74 -0.10 2.72 -0.21 -0.82 -1.13 119.66 123.50 2bck s GLN 262 Ca -0.14 -0.85 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 2bck s GLN 262 Cb -0.16 -2.27 0.10 0.00 1.00 0.00 0.00 33.01 31.68 2bck s GLN 262 CO 0.04 0.35 0.86 -1.58 -2.12 0.00 0.00 175.29 172.85 2bck s HIS 263 N -0.08 -0.48 0.55 0.91 2.46 -1.26 -1.88 115.29 115.51 2bck s HIS 263 Ca -0.05 0.79 0.22 0.00 0.47 0.00 0.00 55.06 56.49 2bck s HIS 263 Cb -0.14 0.44 1.49 0.00 -0.13 0.00 0.00 32.58 34.24 2bck s HIS 263 CO 0.04 -0.47 2.18 1.49 -2.47 0.00 0.00 174.74 175.52 2bck h GLU 264 N 2.68 0.00 0.00 2.88 4.81 -1.94 -2.62 114.58 120.40 2bck h GLU 264 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2bck h GLU 264 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2bck h GLU 264 CO 0.34 0.00 0.00 0.78 -0.73 0.00 0.00 179.01 179.40 2bck h GLY 265 N 0.00 0.00 -5.09 1.92 0.00 -1.85 -3.45 103.07 94.60 2bck h GLY 265 Ca 0.01 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.78 2bck h GLY 265 CO -0.00 0.00 0.13 1.08 0.00 0.00 0.00 176.54 177.75 2bck s LEU 266 N -5.73 4.30 0.00 3.11 1.43 -0.99 -4.57 118.68 116.23 2bck s LEU 266 Ca 0.08 1.19 0.19 0.00 -1.03 0.00 0.00 54.13 54.55 2bck s LEU 266 Cb 0.07 -3.11 1.11 0.00 0.03 0.00 0.00 46.19 44.29 2bck s LEU 266 CO 0.64 -0.16 1.52 -0.81 0.23 0.00 0.00 176.35 177.78 2bck n PRO 267 N 3.99 0.56 -3.63 1.29 -0.04 -1.26 -4.70 135.00 131.21 2bck n PRO 267 Ca -0.00 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2bck n PRO 267 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2bck n PRO 267 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2bck s LYS 268 N -2.05 0.31 0.57 0.54 2.20 -1.26 -5.16 119.74 114.89 2bck s LYS 268 Ca 0.27 0.24 -0.20 0.00 -0.36 0.00 0.00 55.97 55.92 2bck s LYS 268 Cb 0.13 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.55 2bck s LYS 268 CO 0.22 -0.06 1.19 -2.30 -0.36 0.00 0.00 175.35 174.04 2bck n PRO 269 N 1.42 1.29 -3.50 4.03 -0.02 -1.26 -4.96 135.00 132.00 2bck n PRO 269 Ca -0.09 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 2bck n PRO 269 Cb 0.57 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 2bck n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bck s LEU 270 N -2.89 4.00 -0.06 2.45 1.43 -0.28 -4.90 118.68 118.42 2bck s LEU 270 Ca 0.74 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2bck s LEU 270 Cb -0.42 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 42.97 2bck s LEU 270 CO 0.47 -0.39 0.02 -0.89 0.23 0.00 0.00 176.35 175.80 2bck s THR 271 N -2.20 0.20 -0.08 5.49 2.01 -1.25 -2.31 115.64 117.50 2bck s THR 271 Ca 0.43 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.69 2bck s THR 271 Cb -0.09 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 2bck s THR 271 CO 0.32 0.21 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.47 2bck s LEU 272 N 2.04 2.14 0.17 4.42 1.43 0.88 -4.92 118.68 124.85 2bck s LEU 272 Ca 0.05 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2bck s LEU 272 Cb -0.12 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2bck s LEU 272 CO -0.05 0.21 -0.24 -0.13 0.23 0.00 0.00 176.35 176.38 2bck s ARG 273 N 0.06 1.53 -1.18 1.70 0.52 -1.26 -0.88 118.95 119.44 2bck s ARG 273 Ca -0.10 -1.44 -0.20 0.00 -0.52 0.00 0.00 55.73 53.46 2bck s ARG 273 Cb -0.16 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 2bck s ARG 273 CO 0.06 0.42 1.90 1.87 0.02 0.00 0.00 175.30 179.57 2bck n TRP 274 N 0.46 3.24 -3.71 -0.53 -0.00 -1.26 -4.36 117.44 111.28 2bck n TRP 274 Ca -0.14 -2.04 -0.01 0.00 -0.00 0.00 0.00 57.50 55.30 2bck n TRP 274 Cb 0.55 -2.49 -0.01 0.00 -0.00 0.00 0.00 31.31 29.36 2bck n TRP 274 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 2bck s GLU 275 N 5.33 0.88 -0.05 5.87 -1.05 -1.26 -4.78 118.70 123.64 2bck s GLU 275 Ca 0.61 -0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 54.64 2bck s GLU 275 Cb 0.04 0.30 -0.06 0.00 -0.44 0.00 0.00 34.13 33.97 2bck s GLU 275 CO 0.10 -0.40 1.74 -2.14 0.95 0.00 0.00 175.26 175.50 2bck s PRO 276 N -2.92 4.13 0.00 -4.83 0.02 -1.24 -3.55 135.00 126.61 2bck s PRO 276 Ca 0.13 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.41 2bck s PRO 276 Cb 0.01 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.49 2bck s PRO 276 CO -0.00 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 2bck n GLY 277 N 4.29 0.91 0.00 0.52 0.00 -1.26 -4.98 105.19 104.67 2bck n GLY 277 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2bck n GLY 277 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bck n SER 278 N -0.19 0.00 0.00 1.61 7.64 -1.23 -4.85 113.62 116.59 2bck n SER 278 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bck n SER 278 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2bck n SER 278 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bck n GLY 279 N 0.00 0.00 0.00 0.23 0.00 -1.25 -4.23 105.19 99.94 2bck n GLY 279 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bck n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bck n GLY 280 N 0.00 -1.67 2.36 -0.02 0.00 -1.25 -1.87 105.19 102.73 2bck n GLY 280 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 2bck n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bck n GLY 281 N 0.00 1.59 1.28 -0.02 0.00 -1.26 -3.58 105.19 103.19 2bck n GLY 281 Ca 0.00 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.44 2bck n GLY 281 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2bck n LEU 282 N -0.63 4.61 -0.83 0.99 -0.00 -1.26 -4.50 117.00 115.38 2bck n LEU 282 Ca -0.04 -3.06 0.07 0.00 -0.00 0.00 0.00 56.01 52.98 2bck n LEU 282 Cb 0.87 -0.61 0.22 0.00 -0.00 0.00 0.00 43.42 43.90 2bck n LEU 282 CO -0.04 0.71 0.68 -0.46 -0.00 0.00 0.00 177.39 178.28 2bck n ASN 283 N -0.21 3.54 -2.59 1.45 6.94 -1.26 -4.60 115.26 118.53 2bck n ASN 283 Ca 0.26 -2.54 -0.33 0.00 -0.02 0.00 0.00 54.58 51.95 2bck n ASN 283 Cb 1.03 -0.41 0.03 0.00 -2.36 0.00 0.00 39.78 38.07 2bck n ASN 283 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2bck n ASP 284 N 0.04 6.16 0.00 0.53 9.92 -1.26 -4.95 116.55 126.99 2bck n ASP 284 Ca 0.17 -3.78 0.00 0.00 -0.53 0.00 0.00 54.79 50.66 2bck n ASP 284 Cb 0.69 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 2bck n ASP 284 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2bck n ILE 285 N -0.57 0.00 1.11 0.53 -5.35 -1.26 -5.24 119.36 108.57 2bck n ILE 285 Ca 0.48 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 63.08 2bck n ILE 285 Cb 0.52 0.00 0.19 0.00 -1.74 0.00 0.00 39.64 38.62 2bck n ILE 285 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12