#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f54 s SER 2 N 0.00 5.19 0.18 1.61 0.01 -1.26 -3.40 113.70 116.03 2f54 s SER 2 Ca 0.00 0.63 -0.04 0.00 1.31 0.00 0.00 55.95 57.85 2f54 s SER 2 Cb 0.00 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 2f54 s SER 2 CO 0.00 -1.36 0.19 -1.00 0.41 0.00 0.00 173.24 171.47 2f54 s HIS 3 N -3.16 0.85 -0.07 2.43 3.76 -0.64 -4.97 115.29 113.49 2f54 s HIS 3 Ca 0.57 -1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 2f54 s HIS 3 Cb -0.11 -0.35 0.10 0.00 1.11 0.00 0.00 32.58 33.34 2f54 s HIS 3 CO 0.46 -0.67 0.87 -1.54 -0.85 0.00 0.00 174.74 173.00 2f54 s SER 4 N -3.08 -0.45 -0.14 1.40 1.04 -1.26 -1.13 113.70 110.07 2f54 s SER 4 Ca 0.29 0.35 0.02 0.00 0.48 0.00 0.00 55.95 57.09 2f54 s SER 4 Cb 0.05 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2f54 s SER 4 CO 0.07 -0.52 -0.19 -0.32 0.98 0.00 0.00 173.24 173.26 2f54 s MET 5 N -1.83 2.69 0.10 4.02 0.00 -0.97 -0.84 119.30 122.48 2f54 s MET 5 Ca -0.02 -0.72 0.09 0.00 0.00 0.00 0.00 55.69 55.04 2f54 s MET 5 Cb -0.01 -2.27 -0.04 0.00 0.00 0.00 0.00 34.83 32.52 2f54 s MET 5 CO -0.00 -0.11 -0.24 1.03 0.00 0.00 0.00 175.02 175.70 2f54 s ARG 6 N 1.08 1.30 -0.15 4.11 1.81 -0.73 -2.31 118.95 124.05 2f54 s ARG 6 Ca -0.02 -1.21 -0.00 0.00 -1.72 0.00 0.00 55.73 52.77 2f54 s ARG 6 Cb -0.14 -1.64 0.04 0.00 -0.45 0.00 0.00 34.95 32.75 2f54 s ARG 6 CO -0.06 0.39 -0.06 0.71 -0.68 0.00 0.00 175.30 175.60 2f54 s TYR 7 N -1.07 1.69 -0.12 -0.53 1.51 -0.86 -0.50 117.35 117.47 2f54 s TYR 7 Ca 0.10 -1.02 -0.04 0.00 -1.01 0.00 0.00 57.07 55.11 2f54 s TYR 7 Cb -0.10 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 2f54 s TYR 7 CO 0.05 -0.60 0.01 -0.06 -1.11 0.00 0.00 175.55 173.84 2f54 s PHE 8 N 1.64 3.17 -0.04 2.71 0.40 0.46 -2.79 117.98 123.52 2f54 s PHE 8 Ca 0.02 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.45 2f54 s PHE 8 Cb -0.14 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.49 2f54 s PHE 8 CO -0.08 0.29 -0.13 -0.06 0.70 0.00 0.00 175.22 175.95 2f54 s PHE 9 N -0.32 1.35 -0.04 0.36 0.40 -0.29 -1.12 117.98 118.31 2f54 s PHE 9 Ca 0.07 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 2f54 s PHE 9 Cb -0.12 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.46 2f54 s PHE 9 CO 0.02 -0.17 -0.12 0.99 0.70 0.00 0.00 175.22 176.64 2f54 s THR 10 N 0.29 1.06 -0.05 0.64 2.01 0.28 -1.36 115.64 118.51 2f54 s THR 10 Ca -0.07 -0.49 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 2f54 s THR 10 Cb -0.12 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.49 2f54 s THR 10 CO 0.02 0.32 -0.00 -0.55 -0.69 0.00 0.00 174.62 173.72 2f54 s SER 11 N 0.24 0.95 -0.06 3.53 0.15 0.31 -1.03 113.70 117.79 2f54 s SER 11 Ca -0.05 -0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.59 2f54 s SER 11 Cb -0.11 -0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2f54 s SER 11 CO 0.02 -0.14 -0.20 -0.69 1.20 0.00 0.00 173.24 173.43 2f54 s VAL 12 N 1.42 1.68 0.45 4.45 1.01 -0.65 -0.61 120.40 128.14 2f54 s VAL 12 Ca -0.04 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2f54 s VAL 12 Cb -0.13 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 2f54 s VAL 12 CO -0.03 0.47 0.83 -0.94 0.00 0.00 0.00 175.10 175.44 2f54 s SER 13 N 0.05 6.50 -0.51 3.32 1.04 -0.52 -0.75 113.70 122.82 2f54 s SER 13 Ca -0.06 1.21 0.03 0.00 0.48 0.00 0.00 55.95 57.62 2f54 s SER 13 Cb -0.13 -2.36 0.15 0.00 0.10 0.00 0.00 66.02 63.77 2f54 s SER 13 CO 0.03 -0.48 0.31 -0.13 0.98 0.00 0.00 173.24 173.96 2f54 s ARG 14 N -4.06 1.60 0.00 4.02 0.52 -1.26 -4.37 118.95 115.39 2f54 s ARG 14 Ca 0.53 -2.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 2f54 s ARG 14 Cb -0.10 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.77 2f54 s ARG 14 CO 0.34 -1.21 0.00 -2.30 0.02 0.00 0.00 175.30 172.15 2f54 n PRO 15 N 3.04 0.00 -2.70 3.54 -0.02 -1.26 -2.19 135.00 135.40 2f54 n PRO 15 Ca 0.13 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.55 2f54 n PRO 15 Cb 0.36 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.93 2f54 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f54 n GLY 16 N -0.52 0.32 2.64 -1.23 0.00 -1.26 -4.91 105.19 100.23 2f54 n GLY 16 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2f54 n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2f54 n ARG 17 N -0.14 1.03 0.00 1.61 1.85 -0.93 -5.14 116.66 114.94 2f54 n ARG 17 Ca -0.05 -2.19 0.00 0.00 -1.00 0.00 0.00 57.85 54.61 2f54 n ARG 17 Cb 0.75 -1.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.12 2f54 n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2f54 n GLY 18 N 0.24 0.95 3.61 2.89 0.00 -1.26 -4.97 105.19 106.64 2f54 n GLY 18 Ca 0.08 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 2f54 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f54 s GLU 19 N -1.47 0.23 0.64 1.61 8.01 -1.26 -4.56 118.70 121.91 2f54 s GLU 19 Ca 0.00 1.03 -0.15 0.00 0.01 0.00 0.00 54.97 55.86 2f54 s GLU 19 Cb 0.00 -1.67 -0.01 0.00 -4.31 0.00 0.00 34.13 28.14 2f54 s GLU 19 CO 0.00 -3.00 1.08 -2.14 0.01 0.00 0.00 175.26 171.21 2f54 s PRO 20 N -4.65 2.99 0.09 0.39 0.02 -1.26 -4.64 135.00 127.93 2f54 s PRO 20 Ca 0.67 1.26 -0.24 0.00 0.02 0.00 0.00 61.00 62.70 2f54 s PRO 20 Cb -0.22 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.25 2f54 s PRO 20 CO 0.60 -1.08 0.75 0.50 -0.33 0.00 0.00 177.00 177.44 2f54 s ARG 21 N -4.23 4.49 -0.07 5.54 3.52 0.07 -4.86 118.95 123.40 2f54 s ARG 21 Ca 0.64 1.06 0.05 0.00 -0.13 0.00 0.00 55.73 57.35 2f54 s ARG 21 Cb -0.18 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.89 2f54 s ARG 21 CO 0.42 0.42 -0.23 0.12 -0.81 0.00 0.00 175.30 175.22 2f54 s PHE 22 N -0.53 2.34 -0.05 5.12 5.36 -1.26 -1.64 117.98 127.32 2f54 s PHE 22 Ca 0.36 -0.82 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 2f54 s PHE 22 Cb -0.21 -1.56 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 2f54 s PHE 22 CO 0.24 -0.30 0.01 0.42 -1.46 0.00 0.00 175.22 174.13 2f54 s ILE 23 N 0.12 0.23 -0.04 3.12 1.01 -0.20 -1.73 121.20 123.71 2f54 s ILE 23 Ca -0.11 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.76 2f54 s ILE 23 Cb -0.15 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 2f54 s ILE 23 CO 0.06 0.22 -0.19 0.00 0.00 0.00 0.00 174.94 175.02 2f54 s ALA 24 N 1.76 1.69 0.01 9.38 0.00 -0.77 -0.56 121.76 133.26 2f54 s ALA 24 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2f54 s ALA 24 Cb -0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2f54 s ALA 24 CO -0.04 0.32 -0.02 0.08 0.00 0.00 0.00 175.76 176.10 2f54 s VAL 25 N -0.06 0.12 -0.02 0.00 1.01 -0.27 -0.46 120.40 120.72 2f54 s VAL 25 Ca -0.03 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2f54 s VAL 25 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2f54 s VAL 25 CO 0.02 -0.18 -0.23 -0.83 0.00 0.00 0.00 175.10 173.88 2f54 s GLY 26 N -0.60 1.14 0.15 4.51 0.00 -0.84 -0.40 107.32 111.27 2f54 s GLY 26 Ca -0.06 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 43.73 2f54 s GLY 26 CO -0.00 -0.79 -0.13 -0.19 0.00 0.00 0.00 173.10 171.99 2f54 s TYR 27 N -0.47 1.42 -0.14 1.90 1.51 0.35 0.32 117.35 122.23 2f54 s TYR 27 Ca 0.07 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2f54 s TYR 27 Cb -0.10 -0.72 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2f54 s TYR 27 CO -0.00 0.17 -0.01 0.08 -1.11 0.00 0.00 175.55 174.68 2f54 s VAL 28 N -2.66 0.67 0.00 0.71 1.01 0.07 -1.78 120.40 118.42 2f54 s VAL 28 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2f54 s VAL 28 Cb -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2f54 s VAL 28 CO 0.03 0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.66 2f54 n ASP 29 N 5.02 0.00 -2.25 3.32 8.00 -0.02 -1.55 116.55 129.07 2f54 n ASP 29 Ca -0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 2f54 n ASP 29 Cb 0.48 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.70 2f54 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2f54 n ASP 30 N 4.53 5.94 -3.82 -2.24 8.00 -1.26 -4.89 116.55 122.81 2f54 n ASP 30 Ca 0.00 -3.72 -0.26 0.00 0.71 0.00 0.00 54.79 51.52 2f54 n ASP 30 Cb 0.00 -0.90 -0.17 0.00 -0.02 0.00 0.00 41.12 40.03 2f54 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2f54 s THR 31 N -4.18 0.73 0.29 -3.53 2.01 -0.60 -4.99 115.64 105.38 2f54 s THR 31 Ca 0.61 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 2f54 s THR 31 Cb 0.49 -0.95 -0.10 0.00 0.01 0.00 0.00 72.50 71.95 2f54 s THR 31 CO 0.04 0.13 1.26 -1.58 -0.69 0.00 0.00 174.62 173.78 2f54 s GLN 32 N 1.80 4.43 0.00 4.92 0.74 -1.26 -0.75 119.66 129.54 2f54 s GLN 32 Ca 0.02 2.09 0.00 0.00 0.05 0.00 0.00 55.36 57.53 2f54 s GLN 32 Cb -0.14 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.85 2f54 s GLN 32 CO -0.07 -0.11 0.00 1.97 -0.55 0.00 0.00 175.29 176.53 2f54 n PHE 33 N 1.26 0.00 -4.17 1.67 -1.74 0.15 -4.07 117.46 110.55 2f54 n PHE 33 Ca 0.01 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.79 2f54 n PHE 33 Cb 0.43 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.33 2f54 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2f54 s VAL 34 N -1.46 0.16 -0.18 1.97 -7.23 -1.18 0.29 120.40 112.77 2f54 s VAL 34 Ca 0.00 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 57.95 2f54 s VAL 34 Cb 0.00 -2.15 0.10 0.00 0.56 0.00 0.00 36.38 34.90 2f54 s VAL 34 CO 0.00 -0.37 0.89 0.00 -0.31 0.00 0.00 175.10 175.31 2f54 s ARG 35 N -4.05 0.72 0.01 4.82 1.04 -0.85 -1.98 118.95 118.65 2f54 s ARG 35 Ca 0.27 0.41 0.02 0.00 -1.04 0.00 0.00 55.73 55.38 2f54 s ARG 35 Cb 0.07 0.34 -0.01 0.00 -2.04 0.00 0.00 34.95 33.31 2f54 s ARG 35 CO 0.04 -0.18 -0.06 0.12 -0.04 0.00 0.00 175.30 175.19 2f54 s PHE 36 N -0.57 0.49 -0.04 5.89 5.36 0.39 -1.43 117.98 128.06 2f54 s PHE 36 Ca -0.02 -0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 55.71 2f54 s PHE 36 Cb -0.02 -0.30 0.03 0.00 -0.34 0.00 0.00 43.02 42.39 2f54 s PHE 36 CO 0.01 -0.04 0.07 0.34 -1.46 0.00 0.00 175.22 174.15 2f54 s ASP 37 N -0.60 0.92 0.25 6.13 -1.08 -1.26 -1.86 116.67 119.18 2f54 s ASP 37 Ca -0.02 0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 52.08 2f54 s ASP 37 Cb -0.05 -0.07 0.49 0.00 -1.46 0.00 0.00 42.92 41.83 2f54 s ASP 37 CO -0.00 -0.23 1.72 0.28 0.52 0.00 0.00 175.17 177.46 2f54 h SER 38 N 8.25 0.28 1.11 -0.34 0.02 -1.73 -2.03 113.55 119.10 2f54 h SER 38 Ca -0.17 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2f54 h SER 38 Cb 1.12 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2f54 h SER 38 CO 0.20 0.09 -0.07 0.47 -1.14 0.00 0.00 176.83 176.38 2f54 n ASP 39 N -5.01 0.33 -4.79 3.07 9.92 -1.26 -4.85 116.55 113.96 2f54 n ASP 39 Ca 0.15 0.45 -0.33 0.00 -0.53 0.00 0.00 54.79 54.53 2f54 n ASP 39 Cb 0.44 -0.51 0.01 0.00 -0.64 0.00 0.00 41.12 40.42 2f54 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2f54 s ALA 40 N -3.04 2.71 -0.18 2.24 0.00 -0.77 -4.95 121.76 117.78 2f54 s ALA 40 Ca 0.12 0.51 0.23 0.00 0.00 0.00 0.00 51.96 52.83 2f54 s ALA 40 Cb 0.16 -3.27 0.57 0.00 0.00 0.00 0.00 23.12 20.59 2f54 s ALA 40 CO 0.57 -0.79 1.68 0.00 0.00 0.00 0.00 175.76 177.22 2f54 h ALA 41 N 0.67 0.93 0.17 0.00 0.00 -1.88 -3.33 119.26 115.81 2f54 h ALA 41 Ca -0.48 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.31 2f54 h ALA 41 Cb 1.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2f54 h ALA 41 CO 0.57 0.19 -0.37 1.03 0.00 0.00 0.00 179.25 180.67 2f54 h SER 42 N 0.00 -1.07 -4.46 0.00 0.87 -1.92 -3.46 113.55 103.51 2f54 h SER 42 Ca -0.00 0.12 -0.34 0.00 -1.23 0.00 0.00 61.79 60.33 2f54 h SER 42 Cb 0.95 0.40 0.08 0.00 -0.44 0.00 0.00 62.40 63.40 2f54 h SER 42 CO 0.02 -0.47 -0.55 0.00 -0.53 0.00 0.00 176.83 175.31 2f54 n GLN 43 N -5.45 -5.43 -3.88 2.24 1.13 -1.25 -5.00 117.38 99.73 2f54 n GLN 43 Ca -0.08 0.74 -0.09 0.00 -1.94 0.00 0.00 57.00 55.64 2f54 n GLN 43 Cb 0.36 -5.36 -0.08 0.00 0.11 0.00 0.00 30.24 25.27 2f54 n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2f54 s ARG 44 N -5.81 0.75 0.04 -1.09 0.52 -1.26 -5.02 118.95 107.09 2f54 s ARG 44 Ca 0.37 -0.88 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 2f54 s ARG 44 Cb -0.16 0.30 -0.07 0.00 0.52 0.00 0.00 34.95 35.54 2f54 s ARG 44 CO 0.46 -0.22 1.46 -1.64 0.02 0.00 0.00 175.30 175.38 2f54 s MET 45 N -3.40 4.27 -0.02 3.54 -1.94 -1.26 -4.72 119.30 115.77 2f54 s MET 45 Ca 0.01 2.07 0.01 0.00 -1.71 0.00 0.00 55.69 56.08 2f54 s MET 45 Cb 0.03 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 2f54 s MET 45 CO -0.08 -0.58 0.01 -1.21 -0.01 0.00 0.00 175.02 173.14 2f54 s GLU 46 N 2.16 2.85 0.28 2.03 2.02 -0.52 -4.93 118.70 122.60 2f54 s GLU 46 Ca 0.66 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.81 2f54 s GLU 46 Cb -0.35 -2.71 -0.09 0.00 0.10 0.00 0.00 34.13 31.08 2f54 s GLU 46 CO 0.29 0.64 1.05 -1.25 0.02 0.00 0.00 175.26 176.01 2f54 s PRO 47 N -1.45 4.65 0.00 0.39 0.04 -1.26 -2.00 135.00 135.37 2f54 s PRO 47 Ca 0.19 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2f54 s PRO 47 Cb -0.12 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2f54 s PRO 47 CO 0.09 0.26 0.29 -2.13 0.04 0.00 0.00 177.00 175.55 2f54 n ARG 48 N 1.12 -0.10 -3.91 4.56 3.00 0.14 -4.91 116.66 116.56 2f54 n ARG 48 Ca -0.01 -0.33 -0.10 0.00 -0.00 0.00 0.00 57.85 57.41 2f54 n ARG 48 Cb 0.46 -0.70 -0.11 0.00 0.00 0.00 0.00 32.46 32.12 2f54 n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2f54 s ALA 49 N -0.07 -0.13 0.11 5.13 0.00 -1.20 -4.65 121.76 120.95 2f54 s ALA 49 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 2f54 s ALA 49 Cb 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 2f54 s ALA 49 CO 0.00 -0.17 1.62 -1.00 0.00 0.00 0.00 175.76 176.20 2f54 h PRO 50 N 4.57 -0.54 0.00 0.00 0.13 -1.94 -3.39 132.00 130.84 2f54 h PRO 50 Ca -0.31 0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.66 2f54 h PRO 50 Cb 1.20 0.12 0.12 0.00 0.13 0.00 0.00 31.00 32.57 2f54 h PRO 50 CO 0.41 -0.36 -0.10 -2.67 -0.23 0.00 0.00 178.00 175.06 2f54 n TRP 51 N -5.42 -2.87 0.00 1.56 4.27 -1.26 -2.72 117.44 111.00 2f54 n TRP 51 Ca -0.07 -0.41 0.00 0.00 -3.89 0.00 0.00 57.50 53.13 2f54 n TRP 51 Cb 0.33 -0.76 0.00 0.00 -1.36 0.00 0.00 31.31 29.52 2f54 n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2f54 n ILE 52 N -4.52 0.00 0.27 -1.67 0.00 -1.26 -4.61 119.36 107.57 2f54 n ILE 52 Ca 0.08 0.00 0.17 0.00 0.00 0.00 0.00 62.75 63.00 2f54 n ILE 52 Cb 0.33 0.00 0.88 0.00 0.00 0.00 0.00 39.64 40.85 2f54 n ILE 52 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2f54 h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.71 0.31 114.58 127.77 2f54 h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2f54 h GLU 53 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2f54 h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2f54 n GLN 54 N -2.71 0.13 -2.11 2.33 10.64 -1.26 -4.77 117.38 119.63 2f54 n GLN 54 Ca -0.02 0.28 -0.41 0.00 -1.83 0.00 0.00 57.00 55.02 2f54 n GLN 54 Cb 0.09 -1.71 -0.03 0.00 -0.86 0.00 0.00 30.24 27.74 2f54 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2f54 s GLU 55 N -3.15 4.33 1.02 2.61 0.41 0.09 -5.00 118.70 119.02 2f54 s GLU 55 Ca 0.08 2.19 -0.13 0.00 -0.41 0.00 0.00 54.97 56.70 2f54 s GLU 55 Cb 0.11 -3.13 0.20 0.00 -1.78 0.00 0.00 34.13 29.53 2f54 s GLU 55 CO 0.42 -0.31 1.10 0.20 -0.49 0.00 0.00 175.26 176.18 2f54 s GLY 56 N 0.17 1.57 0.26 -1.39 0.00 -1.26 -4.85 107.32 101.81 2f54 s GLY 56 Ca 0.56 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.77 2f54 s GLY 56 CO 0.43 0.17 1.86 -2.55 0.00 0.00 0.00 173.10 173.02 2f54 h PRO 57 N -1.95 1.03 -0.97 2.90 0.11 -1.97 -1.40 132.00 129.74 2f54 h PRO 57 Ca -0.53 -0.06 0.22 0.00 0.11 0.00 0.00 66.00 65.74 2f54 h PRO 57 Cb 1.33 -0.23 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2f54 h PRO 57 CO 0.56 0.68 0.63 0.93 -0.21 0.00 0.00 178.00 180.59 2f54 h GLU 58 N 1.06 0.47 -0.19 1.05 5.08 -1.99 0.25 114.58 120.30 2f54 h GLU 58 Ca 0.41 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2f54 h GLU 58 Cb 0.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2f54 h GLU 58 CO -0.18 0.31 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.19 2f54 h TYR 59 N 0.48 0.40 -0.10 4.33 3.20 -1.60 -1.90 116.97 121.77 2f54 h TYR 59 Ca 0.54 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.31 2f54 h TYR 59 Cb 1.23 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 2f54 h TYR 59 CO -0.00 0.59 0.01 -1.49 -1.64 0.00 0.00 178.16 175.62 2f54 h TRP 60 N 0.09 0.20 -0.65 -3.82 4.06 -0.52 -0.06 115.95 115.24 2f54 h TRP 60 Ca 0.05 -0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.07 2f54 h TRP 60 Cb 0.45 -0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 28.49 2f54 h TRP 60 CO 0.05 0.42 0.26 -0.44 -3.56 0.00 0.00 178.44 175.17 2f54 h ASP 61 N -0.08 0.28 0.70 -3.49 3.32 -0.76 0.11 116.42 116.50 2f54 h ASP 61 Ca 0.03 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2f54 h ASP 61 Cb 0.33 0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2f54 h ASP 61 CO 0.00 0.15 -0.34 1.23 -1.72 0.00 0.00 179.24 178.57 2f54 h GLY 62 N 0.45 -0.99 0.78 2.75 0.00 -1.02 0.54 103.07 105.58 2f54 h GLY 62 Ca 0.33 0.37 0.05 0.00 0.00 0.00 0.00 47.33 48.08 2f54 h GLY 62 CO -0.32 -0.36 0.54 0.83 0.00 0.00 0.00 176.54 177.24 2f54 h GLU 63 N -1.03 0.99 -0.61 4.80 4.39 -0.79 0.29 114.58 122.61 2f54 h GLU 63 Ca -0.10 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.58 2f54 h GLU 63 Cb 0.75 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2f54 h GLU 63 CO 0.16 0.65 0.36 1.15 -1.16 0.00 0.00 179.01 180.17 2f54 h THR 64 N 1.02 1.04 -0.10 1.13 2.02 -0.65 0.22 112.91 117.59 2f54 h THR 64 Ca 0.36 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 2f54 h THR 64 Cb 0.11 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2f54 h THR 64 CO -0.15 0.13 -0.03 -0.09 0.37 0.00 0.00 175.52 175.75 2f54 h ARG 65 N 0.70 0.19 -0.55 6.66 2.43 0.10 -2.55 114.38 121.37 2f54 h ARG 65 Ca 0.25 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2f54 h ARG 65 Cb 0.06 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2f54 h ARG 65 CO -0.12 0.51 0.34 0.87 -1.51 0.00 0.00 179.97 180.07 2f54 h LYS 66 N -0.14 0.73 0.00 0.20 1.57 -0.16 -2.48 116.57 116.28 2f54 h LYS 66 Ca 0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2f54 h LYS 66 Cb 0.45 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2f54 h LYS 66 CO 0.01 0.51 -0.09 -0.24 -0.57 0.00 0.00 179.45 179.07 2f54 h VAL 67 N 0.74 0.28 0.04 0.50 3.04 -0.55 -1.17 116.25 119.13 2f54 h VAL 67 Ca 0.20 -0.63 -0.23 0.00 -1.01 0.00 0.00 66.70 65.03 2f54 h VAL 67 Cb -0.05 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2f54 h VAL 67 CO -0.04 0.09 -1.04 0.11 -1.01 0.00 0.00 177.57 175.68 2f54 h LYS 68 N 0.00 0.16 -0.16 4.17 1.57 -1.06 -2.51 116.57 118.74 2f54 h LYS 68 Ca -0.00 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 2f54 h LYS 68 Cb 0.48 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2f54 h LYS 68 CO 0.01 1.06 -0.18 0.00 -0.57 0.00 0.00 179.45 179.77 2f54 h ALA 69 N 0.85 1.41 -0.35 3.86 0.00 -0.88 -1.32 119.26 122.82 2f54 h ALA 69 Ca -0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2f54 h ALA 69 Cb 1.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2f54 h ALA 69 CO 0.16 0.41 -0.26 0.45 0.00 0.00 0.00 179.25 180.01 2f54 h HIS 70 N 0.25 0.80 -0.22 0.00 3.86 -1.12 -2.40 115.15 116.32 2f54 h HIS 70 Ca 0.05 -0.19 -0.15 0.00 -1.16 0.00 0.00 60.37 58.92 2f54 h HIS 70 Cb 0.47 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2f54 h HIS 70 CO 0.01 0.89 -0.47 0.66 0.86 0.00 0.00 177.93 179.88 2f54 h SER 71 N 0.61 0.62 -0.02 2.45 4.64 -0.84 -2.34 113.55 118.67 2f54 h SER 71 Ca 0.08 -0.30 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2f54 h SER 71 Cb 0.75 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2f54 h SER 71 CO 0.06 0.99 0.00 1.56 -0.87 0.00 0.00 176.83 178.58 2f54 h GLN 72 N 0.46 0.03 -0.69 4.77 1.08 -1.21 0.52 115.11 120.07 2f54 h GLN 72 Ca 0.03 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 2f54 h GLN 72 Cb 0.99 -0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.32 2f54 h GLN 72 CO 0.09 0.29 0.19 1.15 -0.95 0.00 0.00 178.83 179.60 2f54 h THR 73 N -0.23 0.60 -0.06 -0.54 2.02 -1.38 -0.82 112.91 112.49 2f54 h THR 73 Ca 0.01 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 2f54 h THR 73 Cb 0.28 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2f54 h THR 73 CO 0.00 0.06 -0.54 0.45 0.37 0.00 0.00 175.52 175.86 2f54 h HIS 74 N 0.31 0.22 -0.91 3.16 3.86 -1.29 0.11 115.15 120.62 2f54 h HIS 74 Ca 0.38 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.54 2f54 h HIS 74 Cb 0.59 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 2f54 h HIS 74 CO -0.23 0.68 0.59 -0.09 0.86 0.00 0.00 177.93 179.74 2f54 h ARG 75 N 0.14 1.11 -0.00 2.45 2.43 0.44 -1.49 114.38 119.46 2f54 h ARG 75 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2f54 h ARG 75 Cb 1.00 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2f54 h ARG 75 CO 0.08 0.73 -0.04 0.28 -1.51 0.00 0.00 179.97 179.52 2f54 h VAL 76 N 1.14 1.57 -1.00 0.20 2.07 -0.90 -3.23 116.25 116.10 2f54 h VAL 76 Ca 0.36 -1.73 0.27 0.00 0.82 0.00 0.00 66.70 66.43 2f54 h VAL 76 Cb -0.00 2.72 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 2f54 h VAL 76 CO -0.12 0.45 0.69 0.44 0.02 0.00 0.00 177.57 179.06 2f54 h ASP 77 N -0.68 0.17 -0.91 0.57 3.32 -0.48 0.31 116.42 118.71 2f54 h ASP 77 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2f54 h ASP 77 Cb 0.76 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 2f54 h ASP 77 CO 0.01 0.04 0.55 -0.07 -1.72 0.00 0.00 179.24 178.05 2f54 h LEU 78 N 0.15 1.10 0.01 1.55 3.38 -1.29 -0.14 115.31 120.07 2f54 h LEU 78 Ca 0.51 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.25 2f54 h LEU 78 Cb 1.72 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 42.20 2f54 h LEU 78 CO -0.10 0.85 -0.63 1.23 0.09 0.00 0.00 178.44 179.88 2f54 h GLY 79 N 1.26 0.45 1.00 0.83 0.00 -0.52 -2.85 103.07 103.25 2f54 h GLY 79 Ca 0.33 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2f54 h GLY 79 CO -0.06 0.72 0.32 0.00 0.00 0.00 0.00 176.54 177.52 2f54 h THR 80 N -0.12 1.22 -0.65 4.70 1.03 -1.30 -2.44 112.91 115.35 2f54 h THR 80 Ca -0.08 -0.63 0.01 0.00 -0.01 0.00 0.00 66.41 65.70 2f54 h THR 80 Cb 1.35 0.41 -0.03 0.00 -1.07 0.00 0.00 68.15 68.80 2f54 h THR 80 CO 0.12 0.26 0.43 -0.07 -0.01 0.00 0.00 175.52 176.25 2f54 h LEU 81 N 0.92 0.75 -0.41 0.00 3.38 -1.06 -0.75 115.31 118.14 2f54 h LEU 81 Ca 0.23 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2f54 h LEU 81 Cb 0.11 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 2f54 h LEU 81 CO -0.03 0.54 -0.09 0.03 0.09 0.00 0.00 178.44 178.98 2f54 h ARG 82 N 0.88 0.01 -0.78 1.13 3.08 -1.27 -0.98 114.38 116.45 2f54 h ARG 82 Ca 0.24 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.40 2f54 h ARG 82 Cb -0.10 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.87 2f54 h ARG 82 CO -0.05 0.01 0.40 0.78 -1.07 0.00 0.00 179.97 180.04 2f54 h GLY 83 N 0.01 1.22 1.16 0.04 0.00 -0.88 1.67 103.07 106.30 2f54 h GLY 83 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 2f54 h GLY 83 CO -0.41 0.03 0.24 -0.97 0.00 0.00 0.00 176.54 175.43 2f54 h TYR 84 N 0.64 1.08 -0.54 5.60 0.05 0.16 -2.34 116.97 121.62 2f54 h TYR 84 Ca 0.40 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 59.09 2f54 h TYR 84 Cb 0.48 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2f54 h TYR 84 CO -0.10 0.85 0.00 0.66 -1.05 0.00 0.00 178.16 178.52 2f54 n TYR 85 N -4.27 0.71 -4.12 4.88 4.01 -0.68 -4.89 117.16 112.80 2f54 n TYR 85 Ca 0.06 -0.36 -0.46 0.00 -0.16 0.00 0.00 57.90 56.99 2f54 n TYR 85 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 2f54 n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2f54 n ASN 86 N 1.47 -3.50 -4.91 7.72 4.05 0.55 -4.93 115.26 115.71 2f54 n ASN 86 Ca 0.21 -1.31 -0.29 0.00 0.45 0.00 0.00 54.58 53.64 2f54 n ASN 86 Cb 0.59 -1.62 -0.04 0.00 1.23 0.00 0.00 39.78 39.94 2f54 n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2f54 s GLN 87 N -7.48 3.58 1.12 1.20 -0.21 0.01 -4.98 119.66 112.91 2f54 s GLN 87 Ca 0.44 -0.17 -0.13 0.00 0.02 0.00 0.00 55.36 55.52 2f54 s GLN 87 Cb -0.24 -2.80 0.24 0.00 1.00 0.00 0.00 33.01 31.21 2f54 s GLN 87 CO 0.98 0.39 0.93 0.45 -2.12 0.00 0.00 175.29 175.92 2f54 n SER 88 N -0.40 -1.45 -0.62 5.90 2.88 -1.26 -4.76 113.62 113.91 2f54 n SER 88 Ca -0.03 -0.05 0.12 0.00 -1.33 0.00 0.00 58.87 57.59 2f54 n SER 88 Cb 0.53 -1.27 0.24 0.00 -0.75 0.00 0.00 64.21 62.95 2f54 n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2f54 n GLU 89 N -4.51 1.67 -0.06 -1.46 1.02 -1.26 -4.54 120.64 111.50 2f54 n GLU 89 Ca 0.04 -1.24 -0.15 0.00 -0.02 0.00 0.00 57.16 55.80 2f54 n GLU 89 Cb 0.54 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 2f54 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f54 h ALA 90 N 4.27 0.30 -3.01 0.62 0.00 -1.91 -3.43 119.26 116.10 2f54 h ALA 90 Ca 0.00 -0.47 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 2f54 h ALA 90 Cb 0.73 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 2f54 h ALA 90 CO 0.00 0.43 -0.54 0.20 0.00 0.00 0.00 179.25 179.33 2f54 s GLY 91 N -3.82 2.10 0.45 0.00 0.00 -1.26 -4.61 107.32 100.19 2f54 s GLY 91 Ca -0.12 -0.89 -0.15 0.00 0.00 0.00 0.00 44.72 43.56 2f54 s GLY 91 CO 0.83 -0.83 0.89 -1.35 0.00 0.00 0.00 173.10 172.64 2f54 s SER 92 N -2.24 6.63 0.24 1.64 1.04 -1.26 -4.81 113.70 114.95 2f54 s SER 92 Ca 0.30 1.41 0.03 0.00 0.48 0.00 0.00 55.95 58.17 2f54 s SER 92 Cb -0.12 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2f54 s SER 92 CO 0.22 -0.47 0.03 -1.00 0.98 0.00 0.00 173.24 173.00 2f54 s HIS 93 N -2.44 1.57 -0.03 5.02 3.76 -1.26 -4.92 115.29 116.98 2f54 s HIS 93 Ca 0.56 -1.01 0.04 0.00 -0.15 0.00 0.00 55.06 54.50 2f54 s HIS 93 Cb -0.10 -0.93 -0.00 0.00 1.11 0.00 0.00 32.58 32.66 2f54 s HIS 93 CO 0.28 -0.14 -0.13 0.99 -0.85 0.00 0.00 174.74 174.89 2f54 s THR 94 N -3.52 1.11 -0.10 1.30 2.01 -1.26 -1.44 115.64 113.73 2f54 s THR 94 Ca 0.32 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.80 2f54 s THR 94 Cb 0.07 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.62 2f54 s THR 94 CO 0.10 0.33 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.44 2f54 s VAL 95 N 0.02 1.99 0.08 3.82 1.01 0.22 0.38 120.40 127.93 2f54 s VAL 95 Ca -0.02 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.06 2f54 s VAL 95 Cb -0.09 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2f54 s VAL 95 CO 0.01 0.54 -0.20 -1.10 0.00 0.00 0.00 175.10 174.36 2f54 s GLN 96 N 0.45 1.12 -0.03 2.72 -0.21 -0.30 -0.53 119.66 122.89 2f54 s GLN 96 Ca -0.17 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.10 2f54 s GLN 96 Cb -0.17 -1.32 0.01 0.00 1.00 0.00 0.00 33.01 32.53 2f54 s GLN 96 CO 0.07 0.31 0.10 0.50 -2.12 0.00 0.00 175.29 174.15 2f54 s ARG 97 N -1.71 0.20 -0.22 2.91 3.52 -0.46 -0.59 118.95 122.59 2f54 s ARG 97 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 55.73 55.62 2f54 s ARG 97 Cb -0.10 0.09 0.10 0.00 -1.56 0.00 0.00 34.95 33.49 2f54 s ARG 97 CO 0.03 -0.03 0.24 1.41 -0.81 0.00 0.00 175.30 176.14 2f54 s MET 98 N -0.30 0.22 0.14 5.12 1.75 -0.74 -1.14 119.30 124.36 2f54 s MET 98 Ca -0.04 0.12 0.08 0.00 -1.25 0.00 0.00 55.69 54.61 2f54 s MET 98 Cb -0.03 -1.08 -0.04 0.00 2.84 0.00 0.00 34.83 36.52 2f54 s MET 98 CO 0.00 -0.74 -0.18 1.52 -0.65 0.00 0.00 175.02 174.98 2f54 s TYR 99 N 2.33 1.75 -2.80 4.11 -0.85 -1.12 -1.77 117.35 119.00 2f54 s TYR 99 Ca 0.08 -0.47 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 2f54 s TYR 99 Cb -0.15 -0.90 0.00 0.00 0.38 0.00 0.00 41.96 41.29 2f54 s TYR 99 CO -0.17 0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.54 2f54 n GLY 100 N 0.51 -1.05 3.32 5.49 0.00 -0.70 -2.03 105.19 110.72 2f54 n GLY 100 Ca -0.15 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2f54 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f54 s ASP 102 N -3.06 1.90 0.04 0.00 1.01 -0.88 -2.28 116.67 113.39 2f54 s ASP 102 Ca 0.28 -0.73 0.02 0.00 0.71 0.00 0.00 52.55 52.82 2f54 s ASP 102 Cb 0.04 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.89 2f54 s ASP 102 CO 0.07 -0.11 -0.07 0.68 0.21 0.00 0.00 175.17 175.94 2f54 s VAL 103 N -1.78 0.51 0.25 -1.27 -7.23 -0.29 -2.09 120.40 108.51 2f54 s VAL 103 Ca 0.05 -1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 59.17 2f54 s VAL 103 Cb -0.07 -0.58 0.06 0.00 0.56 0.00 0.00 36.38 36.36 2f54 s VAL 103 CO 0.03 -0.35 0.26 0.61 -0.31 0.00 0.00 175.10 175.34 2f54 n GLY 104 N 1.58 -2.03 0.27 2.32 0.00 0.57 -1.62 105.19 106.27 2f54 n GLY 104 Ca -0.22 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.32 2f54 n GLY 104 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2f54 h SER 105 N -1.01 0.15 -0.44 1.61 0.87 -1.89 -0.92 113.55 111.91 2f54 h SER 105 Ca -0.09 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2f54 h SER 105 Cb 0.27 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2f54 h SER 105 CO 0.06 0.16 0.00 -0.90 -0.53 0.00 0.00 176.83 175.62 2f54 n ASP 106 N -4.46 3.21 -0.45 6.23 5.68 -1.26 -4.74 116.55 120.75 2f54 n ASP 106 Ca -0.01 -2.25 -0.06 0.00 -0.50 0.00 0.00 54.79 51.97 2f54 n ASP 106 Cb 0.12 -0.45 -0.03 0.00 -1.14 0.00 0.00 41.12 39.63 2f54 n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2f54 n TRP 107 N 0.71 0.00 -2.88 2.11 7.02 -0.35 -4.98 117.44 119.07 2f54 n TRP 107 Ca 0.17 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.32 2f54 n TRP 107 Cb 0.60 -1.89 -0.07 0.00 -2.42 0.00 0.00 31.31 27.53 2f54 n TRP 107 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2f54 s ARG 108 N -2.15 4.22 0.51 -0.99 6.06 -1.26 -4.64 118.95 120.71 2f54 s ARG 108 Ca 0.00 1.05 -0.23 0.00 -2.50 0.00 0.00 55.73 54.05 2f54 s ARG 108 Cb 0.00 -2.31 -0.06 0.00 0.06 0.00 0.00 34.95 32.64 2f54 s ARG 108 CO 0.00 0.05 1.31 0.12 -2.50 0.00 0.00 175.30 174.28 2f54 s PHE 109 N -2.07 2.48 0.13 5.12 5.36 -1.26 -0.31 117.98 127.43 2f54 s PHE 109 Ca 0.59 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.97 2f54 s PHE 109 Cb -0.10 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 2f54 s PHE 109 CO 0.15 -2.50 0.00 1.28 -1.46 0.00 0.00 175.22 172.69 2f54 n LEU 110 N -0.75 0.31 -4.05 6.12 4.32 -0.89 -4.77 117.00 117.29 2f54 n LEU 110 Ca 0.09 0.22 -0.07 0.00 -0.02 0.00 0.00 56.01 56.22 2f54 n LEU 110 Cb 0.45 0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 42.19 2f54 n LEU 110 CO 0.52 -0.60 -0.32 -0.60 -1.22 0.00 0.00 177.39 175.17 2f54 s ARG 111 N -2.00 0.65 0.05 3.23 6.06 -1.25 -5.00 118.95 120.68 2f54 s ARG 111 Ca 0.00 -1.17 0.03 0.00 -2.50 0.00 0.00 55.73 52.08 2f54 s ARG 111 Cb 0.00 0.23 -0.03 0.00 0.06 0.00 0.00 34.95 35.22 2f54 s ARG 111 CO 0.00 -0.14 -0.09 0.20 -2.50 0.00 0.00 175.30 172.78 2f54 s GLY 112 N -2.90 0.57 -0.02 8.12 0.00 -1.26 -2.07 107.32 109.77 2f54 s GLY 112 Ca 0.06 -0.83 -0.07 0.00 0.00 0.00 0.00 44.72 43.89 2f54 s GLY 112 CO -0.10 -0.88 0.14 -0.19 0.00 0.00 0.00 173.10 172.07 2f54 s TYR 113 N -1.47 -0.02 -0.30 1.90 2.02 -0.53 -4.84 117.35 114.11 2f54 s TYR 113 Ca -0.08 0.03 0.05 0.00 -0.37 0.00 0.00 57.07 56.70 2f54 s TYR 113 Cb -0.09 -0.02 0.19 0.00 -0.40 0.00 0.00 41.96 41.64 2f54 s TYR 113 CO 0.00 -0.22 0.55 -1.58 -1.57 0.00 0.00 175.55 172.74 2f54 s HIS 114 N -0.94 -1.68 0.23 2.71 2.46 -1.26 -1.71 115.29 115.10 2f54 s HIS 114 Ca -0.10 0.89 0.11 0.00 0.47 0.00 0.00 55.06 56.43 2f54 s HIS 114 Cb -0.06 0.22 -0.05 0.00 -0.13 0.00 0.00 32.58 32.57 2f54 s HIS 114 CO 0.01 -1.07 -0.19 -0.65 -2.47 0.00 0.00 174.74 170.36 2f54 s GLN 115 N 2.72 1.69 -0.02 2.88 -0.21 -0.73 -1.41 119.66 124.58 2f54 s GLN 115 Ca 0.10 -1.59 -0.04 0.00 0.02 0.00 0.00 55.36 53.85 2f54 s GLN 115 Cb -0.10 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 32.04 2f54 s GLN 115 CO -0.26 0.37 0.08 -0.47 -2.12 0.00 0.00 175.29 172.89 2f54 s TYR 116 N -2.06 -0.00 0.03 0.91 6.14 -0.35 -1.79 117.35 120.23 2f54 s TYR 116 Ca 0.26 0.02 0.00 0.00 0.64 0.00 0.00 57.07 57.99 2f54 s TYR 116 Cb -0.07 -0.02 -0.02 0.00 0.42 0.00 0.00 41.96 42.26 2f54 s TYR 116 CO 0.13 -0.13 -0.04 0.00 0.64 0.00 0.00 175.55 176.16 2f54 s ALA 117 N -0.55 0.25 -0.08 3.97 0.00 0.24 -1.75 121.76 123.84 2f54 s ALA 117 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2f54 s ALA 117 Cb -0.04 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2f54 s ALA 117 CO 0.00 -0.18 -0.06 -0.47 0.00 0.00 0.00 175.76 175.06 2f54 s TYR 118 N -1.89 1.12 -1.62 0.00 5.04 -0.48 -1.15 117.35 118.38 2f54 s TYR 118 Ca -0.11 -0.46 -0.00 0.00 -2.44 0.00 0.00 57.07 54.06 2f54 s TYR 118 Cb -0.07 -0.99 0.00 0.00 0.35 0.00 0.00 41.96 41.26 2f54 s TYR 118 CO -0.02 -0.37 0.05 -0.25 -1.34 0.00 0.00 175.55 173.61 2f54 n ASP 119 N 4.66 -5.50 0.00 4.32 10.43 0.16 -2.57 116.55 128.05 2f54 n ASP 119 Ca -0.15 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.22 2f54 n ASP 119 Cb 0.50 -4.58 0.00 0.00 1.84 0.00 0.00 41.12 38.88 2f54 n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f54 n GLY 120 N -1.01 0.66 3.24 0.44 0.00 -1.26 -5.00 105.19 102.26 2f54 n GLY 120 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 2f54 n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f54 s LYS 121 N -0.26 1.34 0.34 1.61 -2.85 -1.06 -5.11 119.74 113.75 2f54 s LYS 121 Ca 0.00 -0.93 -0.27 0.00 -1.00 0.00 0.00 55.97 53.77 2f54 s LYS 121 Cb 0.00 -1.44 -0.13 0.00 -2.06 0.00 0.00 37.83 34.20 2f54 s LYS 121 CO 0.00 0.37 1.03 -0.25 0.10 0.00 0.00 175.35 176.60 2f54 n ASP 122 N 1.83 1.42 0.05 0.03 8.00 -1.26 -1.38 116.55 125.23 2f54 n ASP 122 Ca -0.17 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.46 2f54 n ASP 122 Cb 0.53 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 2f54 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f54 n TYR 123 N -0.00 -0.18 -3.77 1.24 9.36 -0.72 -4.69 117.16 118.40 2f54 n TYR 123 Ca 0.09 0.03 -0.13 0.00 3.32 0.00 0.00 57.90 61.21 2f54 n TYR 123 Cb 0.35 0.04 -0.09 0.00 -0.63 0.00 0.00 39.34 39.01 2f54 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2f54 s ILE 124 N -1.90 0.05 -0.10 2.97 2.07 -1.18 -0.44 121.20 122.68 2f54 s ILE 124 Ca 0.00 -0.42 -0.19 0.00 -1.41 0.00 0.00 60.65 58.64 2f54 s ILE 124 Cb 0.00 -0.58 0.04 0.00 0.13 0.00 0.00 42.46 42.05 2f54 s ILE 124 CO 0.00 -0.23 0.46 0.00 -1.91 0.00 0.00 174.94 173.26 2f54 s ALA 125 N -1.11 -1.16 -0.09 1.50 0.00 -0.72 -1.21 121.76 118.98 2f54 s ALA 125 Ca -0.12 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 2f54 s ALA 125 Cb -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2f54 s ALA 125 CO 0.04 -0.27 1.21 -1.17 0.00 0.00 0.00 175.76 175.57 2f54 s LEU 126 N -0.59 4.25 0.94 0.00 2.96 -0.50 -0.69 118.68 125.06 2f54 s LEU 126 Ca -0.07 1.77 -0.10 0.00 -0.22 0.00 0.00 54.13 55.51 2f54 s LEU 126 Cb -0.03 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.27 2f54 s LEU 126 CO 0.04 -0.62 1.13 -0.54 -1.32 0.00 0.00 176.35 175.03 2f54 s LYS 127 N 2.53 0.78 0.54 1.98 -0.14 -0.36 -4.66 119.74 120.41 2f54 s LYS 127 Ca 0.55 1.45 0.23 0.00 -1.36 0.00 0.00 55.97 56.84 2f54 s LYS 127 Cb -0.24 -1.71 1.42 0.00 -1.68 0.00 0.00 37.83 35.62 2f54 s LYS 127 CO 0.20 -2.76 2.08 1.49 -0.76 0.00 0.00 175.35 175.59 2f54 h GLU 128 N -1.96 0.00 0.00 1.68 4.81 -1.89 -0.85 114.58 116.36 2f54 h GLU 128 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2f54 h GLU 128 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2f54 h GLU 128 CO 0.43 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.31 2f54 n ASP 129 N -4.30 0.00 -2.89 1.04 5.68 -1.26 -4.74 116.55 110.08 2f54 n ASP 129 Ca 0.03 -0.41 -0.18 0.00 -0.50 0.00 0.00 54.79 53.74 2f54 n ASP 129 Cb 0.36 -0.05 -0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2f54 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2f54 n LEU 130 N -1.05 -1.43 0.00 -2.12 7.99 -0.32 -4.79 117.00 115.27 2f54 n LEU 130 Ca 0.12 -0.09 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2f54 n LEU 130 Cb 0.07 -2.19 0.00 0.00 -0.11 0.00 0.00 43.42 41.19 2f54 n LEU 130 CO 0.10 0.03 -0.01 0.54 -1.51 0.00 0.00 177.39 176.53 2f54 n ARG 131 N -3.30 1.81 -4.13 3.23 1.74 -1.26 -4.64 116.66 110.10 2f54 n ARG 131 Ca -0.08 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 2f54 n ARG 131 Cb 0.58 -0.16 -0.09 0.00 -1.02 0.00 0.00 32.46 31.77 2f54 n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2f54 s SER 132 N -0.21 0.10 0.33 0.55 1.04 -1.26 -4.90 113.70 109.34 2f54 s SER 132 Ca 0.00 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.28 2f54 s SER 132 Cb 0.00 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 2f54 s SER 132 CO 0.00 -0.90 -0.05 0.26 0.98 0.00 0.00 173.24 173.53 2f54 s TRP 133 N -4.10 2.20 -0.20 5.02 0.52 -1.26 -1.22 118.94 119.90 2f54 s TRP 133 Ca 0.32 -0.65 -0.00 0.00 0.02 0.00 0.00 56.10 55.79 2f54 s TRP 133 Cb 0.05 -1.33 0.05 0.00 -1.15 0.00 0.00 33.47 31.09 2f54 s TRP 133 CO 0.09 0.38 -0.05 0.99 0.02 0.00 0.00 176.95 178.39 2f54 s THR 134 N -2.85 1.28 -0.25 2.01 2.01 0.14 -4.82 115.64 113.15 2f54 s THR 134 Ca 0.32 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.26 2f54 s THR 134 Cb 0.05 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2f54 s THR 134 CO 0.15 0.01 0.42 0.00 -0.69 0.00 0.00 174.62 174.51 2f54 s ALA 135 N 1.53 3.57 0.15 7.40 0.00 -1.26 -1.75 121.76 131.40 2f54 s ALA 135 Ca -0.02 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 2f54 s ALA 135 Cb -0.17 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.23 2f54 s ALA 135 CO -0.07 -0.59 1.69 0.00 0.00 0.00 0.00 175.76 176.78 2f54 h ALA 136 N 7.92 0.64 -4.77 0.00 0.00 -1.03 -3.47 119.26 118.55 2f54 h ALA 136 Ca -0.32 -0.17 -0.45 0.00 0.00 0.00 0.00 54.91 53.97 2f54 h ALA 136 Cb 1.16 -0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 2f54 h ALA 136 CO 0.68 0.28 -0.44 -0.40 0.00 0.00 0.00 179.25 179.37 2f54 n ASP 137 N -4.53 -0.61 0.26 0.00 5.68 -1.26 -5.04 116.55 111.04 2f54 n ASP 137 Ca 0.01 -3.06 0.09 0.00 -0.50 0.00 0.00 54.79 51.33 2f54 n ASP 137 Cb 0.18 1.56 0.66 0.00 -1.14 0.00 0.00 41.12 42.38 2f54 n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2f54 h MET 138 N 0.00 0.00 -0.36 0.11 1.85 -1.98 -1.86 114.93 112.68 2f54 h MET 138 Ca -0.22 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.83 2f54 h MET 138 Cb 1.13 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.14 2f54 h MET 138 CO 0.32 0.05 0.08 0.00 -0.40 0.00 0.00 176.91 176.96 2f54 h ALA 139 N 1.95 0.48 0.00 0.39 0.00 -1.97 -2.73 119.26 117.39 2f54 h ALA 139 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2f54 h ALA 139 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2f54 h ALA 139 CO 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 2f54 h ALA 140 N 0.92 1.01 -0.96 0.00 0.00 -1.64 -1.72 119.26 116.87 2f54 h ALA 140 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2f54 h ALA 140 Cb 0.33 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2f54 h ALA 140 CO 0.00 0.01 0.62 1.96 0.00 0.00 0.00 179.25 181.85 2f54 h GLN 141 N 0.00 1.06 -0.09 0.00 1.08 -1.22 0.40 115.11 116.35 2f54 h GLN 141 Ca -0.00 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 2f54 h GLN 141 Cb 0.34 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2f54 h GLN 141 CO 0.00 0.70 -0.03 1.15 -0.95 0.00 0.00 178.83 179.71 2f54 h THR 142 N 1.10 1.30 -0.78 -0.54 2.02 -1.39 0.27 112.91 114.88 2f54 h THR 142 Ca 0.42 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2f54 h THR 142 Cb 0.21 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 2f54 h THR 142 CO -0.17 0.28 0.47 0.74 0.37 0.00 0.00 175.52 177.21 2f54 h THR 143 N -0.16 1.22 -0.32 3.16 2.02 -1.36 -1.98 112.91 115.49 2f54 h THR 143 Ca 0.02 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 2f54 h THR 143 Cb 0.45 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2f54 h THR 143 CO 0.01 0.23 -0.07 0.50 0.37 0.00 0.00 175.52 176.57 2f54 h LYS 144 N 1.08 0.61 -0.71 6.66 3.64 -0.10 -1.52 116.57 126.23 2f54 h LYS 144 Ca 0.28 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2f54 h LYS 144 Cb -0.04 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2f54 h LYS 144 CO -0.05 0.79 0.43 1.25 -2.27 0.00 0.00 179.45 179.59 2f54 h HIS 145 N 0.39 0.94 0.00 1.91 2.76 0.06 -1.51 115.15 119.72 2f54 h HIS 145 Ca 0.08 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2f54 h HIS 145 Cb 0.55 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2f54 h HIS 145 CO 0.05 0.64 -0.01 1.57 -1.30 0.00 0.00 177.93 178.87 2f54 h LYS 146 N 0.97 0.00 0.10 5.26 2.10 -1.34 -2.61 116.57 121.06 2f54 h LYS 146 Ca 0.26 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.63 2f54 h LYS 146 Cb -0.03 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.33 2f54 h LYS 146 CO -0.05 0.00 -1.13 -1.49 -2.00 0.00 0.00 179.45 174.79 2f54 h TRP 147 N 0.00 0.94 0.00 0.07 4.06 -0.69 -0.63 115.95 119.70 2f54 h TRP 147 Ca 0.00 -0.58 -0.03 0.00 2.06 0.00 0.00 58.89 60.34 2f54 h TRP 147 Cb 0.84 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 28.91 2f54 h TRP 147 CO 0.00 1.43 -0.14 1.05 -3.56 0.00 0.00 178.44 177.21 2f54 h GLU 148 N 0.19 0.00 -0.06 0.49 4.11 -1.33 -1.57 114.58 116.41 2f54 h GLU 148 Ca -0.17 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.19 2f54 h GLU 148 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2f54 h GLU 148 CO 0.22 0.14 -0.22 0.00 0.07 0.00 0.00 179.01 179.22 2f54 h ALA 149 N 1.86 0.11 -0.12 1.06 0.00 -1.36 -3.18 119.26 117.63 2f54 h ALA 149 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2f54 h ALA 149 Cb 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2f54 h ALA 149 CO 0.02 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2f54 n ALA 150 N -2.48 2.79 -4.31 0.00 0.00 -0.25 -4.88 120.51 111.39 2f54 n ALA 150 Ca -0.08 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.58 2f54 n ALA 150 Cb 0.44 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 2f54 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2f54 n HIS 151 N 0.13 -1.31 0.19 0.00 -0.00 -0.90 -4.86 115.22 108.48 2f54 n HIS 151 Ca 0.06 0.63 -0.17 0.00 -0.00 0.00 0.00 57.72 58.24 2f54 n HIS 151 Cb 0.45 -1.91 -0.10 0.00 -0.00 0.00 0.00 29.99 28.43 2f54 n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2f54 h VAL 152 N -0.85 0.00 -0.77 1.59 2.07 -1.60 -2.24 116.25 114.44 2f54 h VAL 152 Ca -0.54 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.14 2f54 h VAL 152 Cb 1.35 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.01 2f54 h VAL 152 CO 0.80 0.00 0.24 0.00 0.02 0.00 0.00 177.57 178.63 2f54 h ALA 153 N -0.73 1.06 -1.00 1.67 0.00 -1.89 0.23 119.26 118.59 2f54 h ALA 153 Ca -0.03 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2f54 h ALA 153 Cb 0.80 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2f54 h ALA 153 CO -0.18 -0.30 0.66 0.93 0.00 0.00 0.00 179.25 180.36 2f54 h GLU 154 N 0.34 1.28 -0.32 0.00 5.08 -1.75 -0.84 114.58 118.36 2f54 h GLU 154 Ca 0.44 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.63 2f54 h GLU 154 Cb 0.74 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2f54 h GLU 154 CO -0.48 0.84 -0.15 1.96 -1.00 0.00 0.00 179.01 180.18 2f54 h GLN 155 N 1.31 0.67 -0.06 2.33 1.08 -0.07 -3.21 115.11 117.17 2f54 h GLN 155 Ca 0.39 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2f54 h GLN 155 Cb -0.07 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2f54 h GLN 155 CO -0.10 0.88 0.03 -0.07 -0.95 0.00 0.00 178.83 178.62 2f54 h LEU 156 N 0.44 0.04 -0.50 1.46 3.38 -0.40 -3.01 115.31 116.73 2f54 h LEU 156 Ca 0.07 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2f54 h LEU 156 Cb 0.68 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2f54 h LEU 156 CO 0.05 0.03 -0.27 0.54 0.09 0.00 0.00 178.44 178.88 2f54 n ARG 157 N -5.07 -0.19 -0.25 1.13 5.12 -0.36 0.16 116.66 117.20 2f54 n ARG 157 Ca -0.06 0.75 -0.01 0.00 -1.93 0.00 0.00 57.85 56.60 2f54 n ARG 157 Cb 0.04 -1.11 0.05 0.00 -1.16 0.00 0.00 32.46 30.28 2f54 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2f54 h ALA 158 N 0.36 0.23 0.51 7.54 0.00 -1.62 0.21 119.26 126.50 2f54 h ALA 158 Ca 0.10 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2f54 h ALA 158 Cb 0.23 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2f54 h ALA 158 CO -0.47 -0.55 -0.24 -0.92 0.00 0.00 0.00 179.25 177.07 2f54 h TYR 159 N -0.07 -0.63 0.02 0.00 3.20 0.15 -2.42 116.97 117.21 2f54 h TYR 159 Ca 0.31 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2f54 h TYR 159 Cb 0.56 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2f54 h TYR 159 CO -0.65 -0.39 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.23 2f54 h LEU 160 N -0.99 -0.50 -1.33 2.82 3.38 -1.19 0.20 115.31 117.70 2f54 h LEU 160 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f54 h LEU 160 Cb 0.52 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2f54 h LEU 160 CO 0.11 -0.24 0.00 -0.08 0.09 0.00 0.00 178.44 178.33 2f54 h GLU 161 N -0.29 0.00 0.00 1.13 4.57 -1.07 -3.36 114.58 115.56 2f54 h GLU 161 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2f54 h GLU 161 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2f54 h GLU 161 CO -0.15 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.09 2f54 n GLY 162 N -0.78 -0.35 0.35 1.92 0.00 -0.76 -4.86 105.19 100.72 2f54 n GLY 162 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 2f54 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2f54 h THR 163 N 0.00 0.11 -0.53 2.61 2.02 -1.31 0.13 112.91 115.95 2f54 h THR 163 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2f54 h THR 163 Cb 0.00 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 2f54 h THR 163 CO 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 2f54 h VAL 165 N 0.06 1.49 0.24 0.00 -1.51 -1.35 -2.28 116.25 112.90 2f54 h VAL 165 Ca 0.26 -2.66 -0.00 0.00 -1.23 0.00 0.00 66.70 63.08 2f54 h VAL 165 Cb 0.41 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 32.07 2f54 h VAL 165 CO -0.49 0.78 -0.21 -0.33 -1.23 0.00 0.00 177.57 176.08 2f54 h GLU 166 N 0.12 -0.45 -0.98 5.19 5.08 -0.23 -0.42 114.58 122.88 2f54 h GLU 166 Ca -0.05 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2f54 h GLU 166 Cb 1.56 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.85 2f54 h GLU 166 CO 0.14 -0.30 0.64 -1.49 -1.00 0.00 0.00 179.01 177.00 2f54 h TRP 167 N -0.47 1.18 -0.09 4.33 4.06 -1.22 -1.34 115.95 122.40 2f54 h TRP 167 Ca -0.01 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.99 2f54 h TRP 167 Cb 0.43 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 2f54 h TRP 167 CO -0.14 0.64 -0.01 1.25 -3.56 0.00 0.00 178.44 176.62 2f54 h LEU 168 N 1.18 -0.06 -1.03 -4.49 5.85 -0.85 0.12 115.31 116.02 2f54 h LEU 168 Ca 0.41 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.18 2f54 h LEU 168 Cb 0.12 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2f54 h LEU 168 CO -0.15 -0.02 0.65 0.03 -0.34 0.00 0.00 178.44 178.61 2f54 h ARG 169 N 0.02 1.25 0.25 1.25 3.08 -0.70 0.23 114.38 119.75 2f54 h ARG 169 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2f54 h ARG 169 Cb 0.06 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2f54 h ARG 169 CO -0.08 0.82 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.43 2f54 h ARG 170 N 1.28 -0.32 -0.28 0.04 2.43 -0.35 -1.76 114.38 115.42 2f54 h ARG 170 Ca 0.38 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.51 2f54 h ARG 170 Cb -0.05 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2f54 h ARG 170 CO -0.11 -0.19 -0.11 1.88 -1.51 0.00 0.00 179.97 179.94 2f54 h TYR 171 N -0.37 0.50 -0.91 2.20 0.05 -0.39 -1.55 116.97 116.51 2f54 h TYR 171 Ca -0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 2f54 h TYR 171 Cb 0.28 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 2f54 h TYR 171 CO -0.05 0.57 0.52 -0.07 -1.05 0.00 0.00 178.16 178.08 2f54 h LEU 172 N 0.44 1.11 0.00 3.88 3.38 -0.21 -0.43 115.31 123.48 2f54 h LEU 172 Ca 0.08 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2f54 h LEU 172 Cb 0.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2f54 h LEU 172 CO 0.03 0.87 -0.98 1.05 0.09 0.00 0.00 178.44 179.50 2f54 h GLU 173 N 1.26 0.00 0.00 1.13 4.11 -1.05 -2.85 114.58 117.19 2f54 h GLU 173 Ca 0.32 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.69 2f54 h GLU 173 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2f54 h GLU 173 CO -0.06 0.31 -0.31 -0.91 0.07 0.00 0.00 179.01 178.11 2f54 h ASN 174 N 0.00 0.00 -0.50 3.06 -0.26 -1.17 -3.24 115.58 113.47 2f54 h ASN 174 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 2f54 h ASN 174 Cb 1.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.67 2f54 h ASN 174 CO 0.04 0.31 0.00 0.61 -1.06 0.00 0.00 177.43 177.33 2f54 n GLY 175 N 0.85 2.36 0.10 2.83 0.00 -0.18 -4.80 105.19 106.35 2f54 n GLY 175 Ca 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 2f54 n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f54 n LYS 176 N 1.14 -0.10 0.16 1.61 5.02 -1.08 0.13 118.16 125.05 2f54 n LYS 176 Ca 0.18 0.40 0.19 0.00 -2.02 0.00 0.00 58.31 57.06 2f54 n LYS 176 Cb 0.53 -0.60 0.78 0.00 -0.02 0.00 0.00 35.03 35.72 2f54 n LYS 176 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2f54 h GLU 177 N 0.00 0.00 0.00 1.97 3.07 -1.90 0.83 114.58 118.55 2f54 h GLU 177 Ca 0.04 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.75 2f54 h GLU 177 Cb 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2f54 h GLU 177 CO -0.22 0.00 -1.32 2.41 -1.40 0.00 0.00 179.01 178.49 2f54 n THR 178 N -3.56 1.30 0.18 1.13 -1.04 0.34 -4.51 114.28 108.12 2f54 n THR 178 Ca 0.04 0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.98 2f54 n THR 178 Cb 0.51 -2.00 -0.04 0.00 -1.82 0.00 0.00 70.33 66.98 2f54 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2f54 h LEU 179 N -0.73 -0.44 -1.04 -4.42 3.38 -0.62 -3.21 115.31 108.22 2f54 h LEU 179 Ca -0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2f54 h LEU 179 Cb 1.03 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2f54 h LEU 179 CO -0.13 -0.08 0.20 0.00 0.09 0.00 0.00 178.44 178.53 2f54 n GLN 180 N -4.75 0.10 -1.48 1.13 3.00 0.28 -4.75 117.38 110.91 2f54 n GLN 180 Ca -0.07 0.59 -0.36 0.00 -0.01 0.00 0.00 57.00 57.15 2f54 n GLN 180 Cb 0.21 -2.04 0.09 0.00 0.00 0.00 0.00 30.24 28.49 2f54 n GLN 180 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2f54 n ARG 181 N -2.11 0.74 -3.74 -1.09 0.63 -1.16 -5.03 116.66 104.90 2f54 n ARG 181 Ca -0.01 0.31 -0.16 0.00 -0.92 0.00 0.00 57.85 57.08 2f54 n ARG 181 Cb 0.23 -2.45 -0.16 0.00 0.45 0.00 0.00 32.46 30.53 2f54 n ARG 181 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2f54 s THR 182 N -1.67 -0.09 -0.26 5.15 -1.32 -1.26 -4.62 115.64 111.57 2f54 s THR 182 Ca 0.78 0.26 0.01 0.00 -1.21 0.00 0.00 61.69 61.53 2f54 s THR 182 Cb -0.35 -0.16 0.05 0.00 -1.51 0.00 0.00 72.50 70.52 2f54 s THR 182 CO 0.45 0.11 -0.08 -1.81 -2.21 0.00 0.00 174.62 171.07 2f54 s ASP 183 N 1.42 4.37 0.58 8.08 1.01 0.14 -4.87 116.67 127.40 2f54 s ASP 183 Ca -0.05 -1.16 -0.19 0.00 0.71 0.00 0.00 52.55 51.85 2f54 s ASP 183 Cb -0.12 -1.61 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 2f54 s ASP 183 CO -0.04 -0.17 1.21 0.00 0.21 0.00 0.00 175.17 176.37 2f54 s ALA 184 N 1.21 2.59 -0.03 5.23 0.00 -1.26 -1.98 121.76 127.52 2f54 s ALA 184 Ca -0.04 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 2f54 s ALA 184 Cb -0.18 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2f54 s ALA 184 CO -0.05 -1.12 1.20 -1.25 0.00 0.00 0.00 175.76 174.54 2f54 s PRO 185 N -3.28 4.37 -0.13 0.00 0.04 -1.26 -4.52 135.00 130.22 2f54 s PRO 185 Ca 0.76 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 2f54 s PRO 185 Cb -0.30 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 2f54 s PRO 185 CO 0.33 -0.40 1.57 0.15 0.04 0.00 0.00 177.00 178.70 2f54 s LYS 186 N 1.95 4.05 0.17 4.56 3.01 0.70 -4.73 119.74 129.46 2f54 s LYS 186 Ca 0.57 1.91 0.10 0.00 -1.01 0.00 0.00 55.97 57.54 2f54 s LYS 186 Cb -0.26 -3.97 -0.04 0.00 -1.01 0.00 0.00 37.83 32.55 2f54 s LYS 186 CO 0.24 -0.99 -0.17 -0.08 0.51 0.00 0.00 175.35 174.86 2f54 s THR 187 N 4.37 2.76 0.09 2.17 -1.32 -1.26 -0.06 115.64 122.40 2f54 s THR 187 Ca 0.70 -1.79 -0.24 0.00 -1.21 0.00 0.00 61.69 59.14 2f54 s THR 187 Cb -0.28 -2.33 0.08 0.00 -1.51 0.00 0.00 72.50 68.46 2f54 s THR 187 CO 0.27 -0.07 1.12 0.00 -2.21 0.00 0.00 174.62 173.73 2f54 n HIS 188 N 0.28 -0.93 -4.11 9.09 1.44 -0.95 -5.02 115.22 115.02 2f54 n HIS 188 Ca -0.12 -1.02 -0.11 0.00 -2.01 0.00 0.00 57.72 54.46 2f54 n HIS 188 Cb 0.55 0.49 -0.11 0.00 0.12 0.00 0.00 29.99 31.04 2f54 n HIS 188 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2f54 s MET 189 N -2.03 0.66 0.19 -1.40 1.75 -1.26 -0.52 119.30 116.69 2f54 s MET 189 Ca 0.26 -1.07 0.10 0.00 -1.25 0.00 0.00 55.69 53.73 2f54 s MET 189 Cb -0.02 -0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 2f54 s MET 189 CO 0.03 -0.01 -0.21 0.99 -0.65 0.00 0.00 175.02 175.17 2f54 s THR 190 N -2.73 2.11 -0.19 10.11 2.01 -0.25 -4.98 115.64 121.72 2f54 s THR 190 Ca 0.02 -2.05 -0.04 0.00 0.31 0.00 0.00 61.69 59.93 2f54 s THR 190 Cb -0.01 -2.03 0.10 0.00 0.01 0.00 0.00 72.50 70.57 2f54 s THR 190 CO -0.03 -0.27 0.31 -2.28 -0.69 0.00 0.00 174.62 171.66 2f54 s HIS 191 N -2.01 -0.55 -0.04 4.92 5.04 -1.26 -2.46 115.29 118.93 2f54 s HIS 191 Ca 0.20 0.80 0.00 0.00 -1.54 0.00 0.00 55.06 54.52 2f54 s HIS 191 Cb -0.06 -0.06 0.03 0.00 0.04 0.00 0.00 32.58 32.52 2f54 s HIS 191 CO 0.09 -0.55 -0.01 -1.01 -2.34 0.00 0.00 174.74 170.92 2f54 s HIS 192 N 2.46 0.50 -0.30 3.88 3.76 -0.89 -4.99 115.29 119.71 2f54 s HIS 192 Ca 0.06 -0.09 -0.28 0.00 -0.15 0.00 0.00 55.06 54.60 2f54 s HIS 192 Cb -0.14 -0.55 -0.05 0.00 1.11 0.00 0.00 32.58 32.95 2f54 s HIS 192 CO -0.12 -0.18 2.16 0.00 -0.85 0.00 0.00 174.74 175.76 2f54 s ALA 193 N 1.12 2.55 0.00 -1.40 0.00 -1.26 -0.83 121.76 121.95 2f54 s ALA 193 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2f54 s ALA 193 Cb -0.14 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2f54 s ALA 193 CO -0.01 -3.08 0.08 0.28 0.00 0.00 0.00 175.76 173.03 2f54 n VAL 194 N 7.73 0.00 -2.73 0.00 0.31 -1.00 -4.89 118.33 117.74 2f54 n VAL 194 Ca 0.29 0.19 -0.22 0.00 -0.01 0.00 0.00 64.34 64.59 2f54 n VAL 194 Cb 0.47 -0.42 0.10 0.00 -0.91 0.00 0.00 33.84 33.08 2f54 n VAL 194 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2f54 s SER 195 N -1.23 4.53 0.49 4.52 0.15 -1.22 -5.00 113.70 115.93 2f54 s SER 195 Ca 0.00 -0.56 0.26 0.00 0.70 0.00 0.00 55.95 56.36 2f54 s SER 195 Cb 0.00 0.16 1.23 0.00 -1.71 0.00 0.00 66.02 65.70 2f54 s SER 195 CO 0.00 -1.74 1.97 -2.24 1.20 0.00 0.00 173.24 172.42 2f54 h ASP 196 N -0.34 0.00 -0.30 5.45 2.03 -2.03 -3.14 116.42 118.09 2f54 h ASP 196 Ca -0.34 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 55.77 2f54 h ASP 196 Cb 1.27 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.64 2f54 h ASP 196 CO 0.39 0.17 -0.37 1.41 -1.03 0.00 0.00 179.24 179.81 2f54 n HIS 197 N -3.52 1.01 -3.60 4.15 8.25 -1.26 -5.02 115.22 115.22 2f54 n HIS 197 Ca -0.01 -1.73 -0.05 0.00 -0.26 0.00 0.00 57.72 55.67 2f54 n HIS 197 Cb 0.32 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.02 2f54 n HIS 197 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2f54 s GLU 198 N -3.34 0.70 -0.05 -0.41 -1.05 -1.19 -3.46 118.70 109.90 2f54 s GLU 198 Ca 0.44 -0.32 -0.02 0.00 -0.15 0.00 0.00 54.97 54.92 2f54 s GLU 198 Cb 0.40 0.28 0.03 0.00 -0.44 0.00 0.00 34.13 34.40 2f54 s GLU 198 CO -0.03 -0.31 0.11 0.00 0.95 0.00 0.00 175.26 175.98 2f54 s ALA 199 N -2.86 -0.18 0.17 -0.84 0.00 -0.23 -2.37 121.76 115.45 2f54 s ALA 199 Ca 0.09 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 2f54 s ALA 199 Cb -0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.68 2f54 s ALA 199 CO -0.05 -0.13 1.08 0.99 0.00 0.00 0.00 175.76 177.65 2f54 s THR 200 N 0.98 3.95 -0.20 0.00 2.01 -0.01 -2.10 115.64 120.28 2f54 s THR 200 Ca -0.08 1.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.60 2f54 s THR 200 Cb -0.10 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2f54 s THR 200 CO -0.04 0.29 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.30 2f54 s LEU 201 N -0.37 2.55 -0.16 4.42 1.43 0.99 -2.10 118.68 125.44 2f54 s LEU 201 Ca 0.49 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2f54 s LEU 201 Cb -0.28 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2f54 s LEU 201 CO 0.34 -0.00 -0.20 -0.60 0.23 0.00 0.00 176.35 176.12 2f54 s ARG 202 N 1.33 3.04 -0.26 1.70 3.52 -1.03 -0.42 118.95 126.84 2f54 s ARG 202 Ca 0.04 -0.82 -0.18 0.00 -0.13 0.00 0.00 55.73 54.64 2f54 s ARG 202 Cb -0.14 -2.53 -0.03 0.00 -1.56 0.00 0.00 34.95 30.69 2f54 s ARG 202 CO -0.07 -0.10 0.51 0.00 -0.81 0.00 0.00 175.30 174.84 2f54 s TRP 204 N 2.31 3.45 -0.09 0.00 0.52 0.32 -2.05 118.94 123.41 2f54 s TRP 204 Ca 0.21 0.40 0.01 0.00 0.02 0.00 0.00 56.10 56.75 2f54 s TRP 204 Cb -0.16 -1.91 0.02 0.00 -1.15 0.00 0.00 33.47 30.27 2f54 s TRP 204 CO 0.09 0.61 -0.12 0.00 0.02 0.00 0.00 176.95 177.56 2f54 s ALA 205 N -0.86 1.41 0.12 0.98 0.00 -0.48 -2.25 121.76 120.69 2f54 s ALA 205 Ca 0.14 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.60 2f54 s ALA 205 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2f54 s ALA 205 CO 0.03 -0.09 -0.12 -0.51 0.00 0.00 0.00 175.76 175.07 2f54 s LEU 206 N 1.05 2.44 -1.14 0.00 1.43 0.92 -1.71 118.68 121.67 2f54 s LEU 206 Ca -0.07 -0.86 -0.33 0.00 -1.03 0.00 0.00 54.13 51.84 2f54 s LEU 206 Cb -0.15 -0.42 0.05 0.00 0.03 0.00 0.00 46.19 45.70 2f54 s LEU 206 CO -0.01 -0.23 0.64 -1.54 0.23 0.00 0.00 176.35 175.44 2f54 n SER 207 N 0.35 -3.84 -4.60 2.29 3.41 -0.80 -0.22 113.62 110.22 2f54 n SER 207 Ca -0.14 -1.23 -0.24 0.00 -0.26 0.00 0.00 58.87 57.00 2f54 n SER 207 Cb 0.58 -1.48 -0.08 0.00 -0.26 0.00 0.00 64.21 62.97 2f54 n SER 207 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2f54 s PHE 208 N -3.61 2.55 -0.28 7.33 -0.12 -1.05 -4.55 117.98 118.26 2f54 s PHE 208 Ca 0.46 -0.31 -0.23 0.00 -0.05 0.00 0.00 56.93 56.80 2f54 s PHE 208 Cb -0.26 -1.24 0.09 0.00 -0.63 0.00 0.00 43.02 40.98 2f54 s PHE 208 CO 0.92 0.60 0.80 -0.47 -0.05 0.00 0.00 175.22 177.01 2f54 s TYR 209 N -2.43 -0.76 1.16 3.49 5.04 -0.84 -1.43 117.35 121.58 2f54 s TYR 209 Ca 0.32 1.75 -0.17 0.00 -2.44 0.00 0.00 57.07 56.53 2f54 s TYR 209 Cb -0.04 0.37 0.27 0.00 0.35 0.00 0.00 41.96 42.90 2f54 s TYR 209 CO 0.19 -0.37 1.08 -1.25 -1.34 0.00 0.00 175.55 173.85 2f54 s PRO 210 N 0.66 -0.87 0.45 4.97 0.04 -1.26 0.26 135.00 139.24 2f54 s PRO 210 Ca -0.02 0.22 0.14 0.00 0.04 0.00 0.00 61.00 61.37 2f54 s PRO 210 Cb -0.05 -1.61 1.00 0.00 0.04 0.00 0.00 34.50 33.88 2f54 s PRO 210 CO -0.06 -3.54 2.00 0.00 0.04 0.00 0.00 177.00 175.45 2f54 h ALA 211 N -2.46 1.71 -1.87 8.56 0.00 -1.94 -3.44 119.26 119.82 2f54 h ALA 211 Ca -0.50 -0.14 -0.66 0.00 0.00 0.00 0.00 54.91 53.61 2f54 h ALA 211 Cb 1.32 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.10 2f54 h ALA 211 CO 0.43 0.22 0.91 -1.91 0.00 0.00 0.00 179.25 178.90 2f54 n GLU 212 N -4.35 1.72 -3.61 0.00 4.07 -1.26 -4.94 120.64 112.28 2f54 n GLU 212 Ca -0.02 0.63 -0.10 0.00 -0.06 0.00 0.00 57.16 57.60 2f54 n GLU 212 Cb 0.22 -2.39 -0.03 0.00 -0.06 0.00 0.00 31.44 29.18 2f54 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2f54 s ILE 213 N 2.96 0.02 -0.11 6.31 2.07 -1.26 -4.65 121.20 126.53 2f54 s ILE 213 Ca 0.91 -0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 59.66 2f54 s ILE 213 Cb -0.84 -1.33 0.05 0.00 0.13 0.00 0.00 42.46 40.47 2f54 s ILE 213 CO 0.53 -0.08 0.11 -0.89 -1.91 0.00 0.00 174.94 172.69 2f54 s THR 214 N -3.82 -0.15 -0.21 4.00 2.01 -0.66 -5.00 115.64 111.81 2f54 s THR 214 Ca 0.05 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.13 2f54 s THR 214 Cb -0.01 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2f54 s THR 214 CO -0.07 -0.04 0.03 -0.76 -0.69 0.00 0.00 174.62 173.09 2f54 s LEU 215 N 2.20 3.38 -0.07 4.42 1.43 -1.26 -0.60 118.68 128.18 2f54 s LEU 215 Ca 0.04 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2f54 s LEU 215 Cb -0.14 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2f54 s LEU 215 CO -0.07 0.05 -0.04 -0.89 0.23 0.00 0.00 176.35 175.64 2f54 s THR 216 N 1.07 0.59 0.09 5.49 2.01 0.80 -4.93 115.64 120.77 2f54 s THR 216 Ca 0.03 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2f54 s THR 216 Cb -0.14 -0.67 -0.07 0.00 0.01 0.00 0.00 72.50 71.64 2f54 s THR 216 CO 0.02 0.27 0.53 0.26 -0.69 0.00 0.00 174.62 175.01 2f54 s TRP 217 N 1.48 3.70 0.09 4.92 0.52 -1.26 0.17 118.94 128.57 2f54 s TRP 217 Ca -0.02 1.12 0.03 0.00 0.02 0.00 0.00 56.10 57.25 2f54 s TRP 217 Cb -0.13 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 2f54 s TRP 217 CO -0.03 0.53 -0.09 -0.65 0.02 0.00 0.00 176.95 176.73 2f54 s GLN 218 N -1.50 0.81 -0.09 4.98 -0.21 0.44 -2.50 119.66 121.59 2f54 s GLN 218 Ca 0.32 -1.17 -0.01 0.00 0.02 0.00 0.00 55.36 54.52 2f54 s GLN 218 Cb -0.17 -0.41 0.03 0.00 1.00 0.00 0.00 33.01 33.46 2f54 s GLN 218 CO 0.18 0.05 -0.03 0.50 -2.12 0.00 0.00 175.29 173.87 2f54 s ARG 219 N -2.97 0.94 -1.46 2.91 3.52 -0.62 -0.09 118.95 121.18 2f54 s ARG 219 Ca 0.06 -0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 55.54 2f54 s ARG 219 Cb -0.01 -1.22 0.04 0.00 -1.56 0.00 0.00 34.95 32.19 2f54 s ARG 219 CO -0.01 -0.30 0.79 -0.25 -0.81 0.00 0.00 175.30 174.72 2f54 n ASP 220 N 5.07 -5.44 0.00 -2.12 10.43 -0.98 -1.94 116.55 121.57 2f54 n ASP 220 Ca -0.09 -0.47 0.00 0.00 2.57 0.00 0.00 54.79 56.80 2f54 n ASP 220 Cb 0.50 -4.37 0.00 0.00 1.84 0.00 0.00 41.12 39.09 2f54 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f54 n GLY 221 N -1.60 2.67 3.62 0.44 0.00 -1.26 -4.96 105.19 104.10 2f54 n GLY 221 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2f54 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f54 s GLU 222 N -0.01 4.04 -0.17 1.61 2.12 -0.82 -4.97 118.70 120.50 2f54 s GLU 222 Ca 0.00 0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.75 2f54 s GLU 222 Cb 0.00 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 2f54 s GLU 222 CO 0.00 -0.63 1.59 0.16 -0.54 0.00 0.00 175.26 175.84 2f54 s ASP 223 N 1.53 6.51 -1.16 -1.70 -4.77 -1.26 -1.59 116.67 114.23 2f54 s ASP 223 Ca 0.33 1.79 -0.18 0.00 -3.30 0.00 0.00 52.55 51.20 2f54 s ASP 223 Cb -0.14 -2.53 0.10 0.00 -1.09 0.00 0.00 42.92 39.26 2f54 s ASP 223 CO 0.11 -1.12 1.50 -1.58 0.70 0.00 0.00 175.17 174.78 2f54 s GLN 224 N 4.39 3.88 0.02 2.11 0.74 -1.04 -4.84 119.66 124.92 2f54 s GLN 224 Ca 0.70 -1.96 -0.26 0.00 0.05 0.00 0.00 55.36 53.90 2f54 s GLN 224 Cb -0.27 -5.27 -0.17 0.00 1.10 0.00 0.00 33.01 28.41 2f54 s GLN 224 CO 0.28 -2.03 1.29 0.00 -0.55 0.00 0.00 175.29 174.28 2f54 h THR 225 N 5.59 0.67 -3.82 -0.34 1.03 -1.91 -3.39 112.91 110.74 2f54 h THR 225 Ca 0.32 -0.52 -0.49 0.00 -0.01 0.00 0.00 66.41 65.71 2f54 h THR 225 Cb 0.92 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 2f54 h THR 225 CO 1.34 0.10 0.41 0.00 -0.01 0.00 0.00 175.52 177.36 2f54 s GLN 226 N -4.85 4.63 0.00 0.00 -2.07 -1.26 -2.99 119.66 113.12 2f54 s GLN 226 Ca -0.14 1.60 0.00 0.00 -1.82 0.00 0.00 55.36 55.00 2f54 s GLN 226 Cb 0.02 -3.07 0.00 0.00 -1.09 0.00 0.00 33.01 28.87 2f54 s GLN 226 CO 0.56 0.27 0.00 -0.25 -1.32 0.00 0.00 175.29 174.54 2f54 n ASP 227 N 1.02 0.00 -4.28 12.60 10.43 -1.26 -5.07 116.55 129.98 2f54 n ASP 227 Ca -0.00 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 56.99 2f54 n ASP 227 Cb 0.47 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.30 2f54 n ASP 227 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2f54 s THR 228 N -2.00 3.65 -0.26 -3.53 2.01 -1.16 -4.52 115.64 109.84 2f54 s THR 228 Ca 0.00 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 2f54 s THR 228 Cb 0.00 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 2f54 s THR 228 CO 0.00 0.00 0.80 -0.70 -0.69 0.00 0.00 174.62 174.03 2f54 s GLU 229 N 1.42 4.13 -0.16 4.92 2.12 0.07 -4.86 118.70 126.35 2f54 s GLU 229 Ca 0.00 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.16 2f54 s GLU 229 Cb -0.18 -3.66 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 2f54 s GLU 229 CO 0.01 -0.54 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.54 2f54 s LEU 230 N 2.83 2.51 0.38 2.70 1.02 -1.26 -0.31 118.68 126.55 2f54 s LEU 230 Ca 0.33 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.92 2f54 s LEU 230 Cb -0.15 -1.57 -0.07 0.00 0.02 0.00 0.00 46.19 44.42 2f54 s LEU 230 CO 0.09 0.09 0.74 0.68 0.02 0.00 0.00 176.35 177.96 2f54 s VAL 231 N 0.81 4.78 0.15 -1.59 -7.23 -1.03 -5.01 120.40 111.28 2f54 s VAL 231 Ca -0.05 0.65 -0.31 0.00 -1.81 0.00 0.00 61.98 60.45 2f54 s VAL 231 Cb -0.15 -3.70 -0.10 0.00 0.56 0.00 0.00 36.38 32.99 2f54 s VAL 231 CO 0.00 -0.43 1.58 -0.70 -0.31 0.00 0.00 175.10 175.25 2f54 s GLU 232 N -3.62 4.21 0.06 4.82 2.12 -1.26 -4.63 118.70 120.40 2f54 s GLU 232 Ca 0.51 2.35 -0.36 0.00 0.36 0.00 0.00 54.97 57.84 2f54 s GLU 232 Cb -0.10 -3.24 -0.15 0.00 0.26 0.00 0.00 34.13 30.90 2f54 s GLU 232 CO 0.28 -0.63 1.51 2.41 -0.54 0.00 0.00 175.26 178.29 2f54 n THR 233 N 4.11 0.08 -4.28 -1.70 -1.04 -1.26 -4.92 114.28 105.26 2f54 n THR 233 Ca 0.14 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.05 61.92 2f54 n THR 233 Cb 0.39 -1.19 -0.12 0.00 -1.82 0.00 0.00 70.33 67.59 2f54 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f54 s ARG 234 N 1.23 1.11 0.40 -2.82 1.70 -0.60 -4.97 118.95 115.00 2f54 s ARG 234 Ca 0.85 -1.21 -0.24 0.00 -0.47 0.00 0.00 55.73 54.65 2f54 s ARG 234 Cb -0.85 -1.22 -0.09 0.00 -0.57 0.00 0.00 34.95 32.22 2f54 s ARG 234 CO 0.46 0.27 1.03 -1.25 -1.08 0.00 0.00 175.30 174.72 2f54 s PRO 235 N -2.26 4.20 0.37 3.89 0.04 -1.26 -0.54 135.00 139.44 2f54 s PRO 235 Ca 0.08 1.44 0.23 0.00 0.04 0.00 0.00 61.00 62.79 2f54 s PRO 235 Cb -0.08 -2.51 0.25 0.00 0.04 0.00 0.00 34.50 32.20 2f54 s PRO 235 CO 0.04 -0.10 1.45 0.00 0.04 0.00 0.00 177.00 178.44 2f54 h ALA 236 N 2.46 0.86 0.00 8.56 0.00 -0.67 -3.45 119.26 127.02 2f54 h ALA 236 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2f54 h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2f54 h ALA 236 CO 0.62 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2f54 n GLY 237 N 1.13 1.35 0.62 0.00 0.00 -1.26 -4.92 105.19 102.11 2f54 n GLY 237 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2f54 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f54 n ASP 238 N 0.00 3.22 0.00 1.61 5.68 -1.26 -4.94 116.55 120.87 2f54 n ASP 238 Ca 0.00 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.65 2f54 n ASP 238 Cb 0.00 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 2f54 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f54 n GLY 239 N -0.34 0.12 3.82 6.12 0.00 -1.26 -5.06 105.19 108.59 2f54 n GLY 239 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2f54 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f54 s THR 240 N -2.02 2.19 0.34 2.61 -4.23 -1.26 -4.91 115.64 108.36 2f54 s THR 240 Ca 0.00 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 2f54 s THR 240 Cb 0.00 -2.75 -0.07 0.00 1.34 0.00 0.00 72.50 71.02 2f54 s THR 240 CO 0.00 0.00 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.72 2f54 s PHE 241 N -2.62 2.17 0.06 3.99 0.40 -0.52 0.06 117.98 121.52 2f54 s PHE 241 Ca 0.40 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2f54 s PHE 241 Cb 0.00 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 2f54 s PHE 241 CO 0.23 0.26 -0.07 -0.65 0.70 0.00 0.00 175.22 175.69 2f54 s GLN 242 N -3.77 0.62 -0.11 0.44 -0.21 0.29 -1.90 119.66 115.03 2f54 s GLN 242 Ca 0.34 -0.97 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 2f54 s GLN 242 Cb 0.07 -0.20 0.10 0.00 1.00 0.00 0.00 33.01 33.99 2f54 s GLN 242 CO 0.15 0.01 0.86 0.21 -2.12 0.00 0.00 175.29 174.41 2f54 s LYS 243 N -2.49 0.79 0.13 2.91 2.20 -0.69 -1.56 119.74 121.03 2f54 s LYS 243 Ca -0.02 0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.75 2f54 s LYS 243 Cb -0.04 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2f54 s LYS 243 CO -0.02 -0.25 0.04 1.67 -0.36 0.00 0.00 175.35 176.43 2f54 s TRP 244 N -1.25 0.90 -0.01 4.03 1.48 -1.26 -1.39 118.94 121.44 2f54 s TRP 244 Ca -0.05 -1.20 -0.01 0.00 -1.06 0.00 0.00 56.10 53.78 2f54 s TRP 244 Cb -0.00 -0.51 0.00 0.00 -1.16 0.00 0.00 33.47 31.80 2f54 s TRP 244 CO 0.04 -0.47 0.03 0.00 -4.06 0.00 0.00 176.95 172.49 2f54 s ALA 245 N -3.99 -0.07 0.05 2.67 0.00 -0.87 -2.47 121.76 117.08 2f54 s ALA 245 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2f54 s ALA 245 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2f54 s ALA 245 CO 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 175.76 175.71 2f54 s ALA 246 N -0.01 0.52 -0.01 0.00 0.00 0.58 0.15 121.76 123.00 2f54 s ALA 246 Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 2f54 s ALA 246 Cb -0.00 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.27 2f54 s ALA 246 CO 0.00 -0.18 0.01 0.14 0.00 0.00 0.00 175.76 175.73 2f54 s VAL 247 N -2.42 -0.01 -0.29 0.00 -7.23 0.44 -0.75 120.40 110.14 2f54 s VAL 247 Ca -0.03 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2f54 s VAL 247 Cb -0.03 -0.03 -0.04 0.00 0.56 0.00 0.00 36.38 36.84 2f54 s VAL 247 CO -0.03 0.01 0.19 0.54 -0.31 0.00 0.00 175.10 175.51 2f54 s VAL 248 N 0.18 5.25 0.10 1.32 0.11 -1.26 -0.01 120.40 126.10 2f54 s VAL 248 Ca -0.02 0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.20 2f54 s VAL 248 Cb -0.02 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 2f54 s VAL 248 CO -0.01 0.20 -0.23 0.68 -3.33 0.00 0.00 175.10 172.42 2f54 s VAL 249 N 1.74 2.51 0.09 2.04 -7.23 -0.89 -4.92 120.40 113.76 2f54 s VAL 249 Ca 0.07 -1.55 -0.32 0.00 -1.81 0.00 0.00 61.98 58.36 2f54 s VAL 249 Cb -0.16 -2.11 -0.11 0.00 0.56 0.00 0.00 36.38 34.56 2f54 s VAL 249 CO 0.11 0.16 1.82 -2.65 -0.31 0.00 0.00 175.10 174.22 2f54 n PRO 250 N 1.06 2.62 -1.61 4.82 -0.02 -1.26 -1.07 135.00 139.55 2f54 n PRO 250 Ca -0.17 0.96 -0.48 0.00 -2.02 0.00 0.00 63.50 61.79 2f54 n PRO 250 Cb 0.53 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 2f54 n PRO 250 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2f54 n SER 251 N 5.56 1.79 0.00 2.55 3.41 -1.22 -1.31 113.62 124.39 2f54 n SER 251 Ca 0.19 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 2f54 n SER 251 Cb 0.35 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2f54 n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f54 n GLY 252 N 2.11 2.80 0.13 5.00 0.00 -1.26 -4.86 105.19 109.11 2f54 n GLY 252 Ca 0.14 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.58 2f54 n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f54 n GLN 253 N 0.00 1.16 0.12 1.61 1.13 -0.43 -4.17 117.38 116.81 2f54 n GLN 253 Ca 0.00 -0.25 0.04 0.00 -1.94 0.00 0.00 57.00 54.84 2f54 n GLN 253 Cb 0.00 -1.11 0.43 0.00 0.11 0.00 0.00 30.24 29.67 2f54 n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2f54 h GLU 254 N 0.43 0.25 -0.13 -1.09 5.08 -1.89 -2.12 114.58 115.12 2f54 h GLU 254 Ca 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2f54 h GLU 254 Cb 0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2f54 h GLU 254 CO 0.00 0.32 -0.15 1.96 -1.00 0.00 0.00 179.01 180.14 2f54 h GLN 255 N 0.25 0.21 0.00 2.33 1.08 -1.88 -2.97 115.11 114.12 2f54 h GLN 255 Ca 0.06 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2f54 h GLN 255 Cb 0.24 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2f54 h GLN 255 CO 0.01 0.36 -0.31 0.00 -0.95 0.00 0.00 178.83 177.94 2f54 h ARG 256 N 0.20 0.00 -7.22 1.46 3.08 -1.69 -3.46 114.38 106.74 2f54 h ARG 256 Ca 0.04 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.59 2f54 h ARG 256 Cb 0.39 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.48 2f54 h ARG 256 CO 0.02 0.31 0.33 0.71 -1.07 0.00 0.00 179.97 180.27 2f54 s TYR 257 N -3.94 3.59 -0.16 3.04 1.51 -1.12 -2.33 117.35 117.94 2f54 s TYR 257 Ca -0.02 1.18 -0.13 0.00 -1.01 0.00 0.00 57.07 57.10 2f54 s TYR 257 Cb 0.13 -2.61 0.05 0.00 -0.11 0.00 0.00 41.96 39.41 2f54 s TYR 257 CO 0.67 -0.54 0.41 0.99 -1.11 0.00 0.00 175.55 175.97 2f54 s THR 258 N -2.99 -0.01 -0.07 -0.71 2.01 0.87 -4.74 115.64 110.01 2f54 s THR 258 Ca 0.53 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 2f54 s THR 258 Cb -0.11 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2f54 s THR 258 CO 0.49 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 2f54 s HIS 260 N -0.94 1.75 -0.26 0.00 3.76 0.45 -0.66 115.29 119.39 2f54 s HIS 260 Ca 0.15 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2f54 s HIS 260 Cb -0.11 -1.27 0.05 0.00 1.11 0.00 0.00 32.58 32.36 2f54 s HIS 260 CO 0.04 -0.37 -0.08 0.08 -0.85 0.00 0.00 174.74 173.56 2f54 s VAL 261 N 0.79 2.47 -0.15 -0.90 1.01 -0.64 -0.14 120.40 122.84 2f54 s VAL 261 Ca -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 2f54 s VAL 261 Cb -0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2f54 s VAL 261 CO 0.02 0.01 0.01 -1.10 0.00 0.00 0.00 175.10 174.05 2f54 s GLN 262 N 1.18 3.65 -0.17 2.72 -0.21 0.23 -2.47 119.66 124.58 2f54 s GLN 262 Ca -0.06 -0.42 -0.26 0.00 0.02 0.00 0.00 55.36 54.64 2f54 s GLN 262 Cb -0.19 -3.01 0.07 0.00 1.00 0.00 0.00 33.01 30.87 2f54 s GLN 262 CO -0.04 0.36 0.67 -1.58 -2.12 0.00 0.00 175.29 172.58 2f54 s HIS 263 N 0.08 -0.70 0.26 0.91 2.46 -1.26 -1.65 115.29 115.39 2f54 s HIS 263 Ca 0.02 1.51 -0.02 0.00 0.47 0.00 0.00 55.06 57.05 2f54 s HIS 263 Cb -0.13 0.31 0.50 0.00 -0.13 0.00 0.00 32.58 33.13 2f54 s HIS 263 CO 0.02 -0.46 1.77 0.93 -2.47 0.00 0.00 174.74 174.53 2f54 h GLU 264 N 4.21 0.65 0.00 2.88 3.07 -1.94 -1.36 114.58 122.09 2f54 h GLU 264 Ca -0.28 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2f54 h GLU 264 Cb 1.15 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2f54 h GLU 264 CO 0.21 0.43 0.00 0.41 -1.40 0.00 0.00 179.01 178.66 2f54 n GLY 265 N -1.32 -0.79 3.48 -3.84 0.00 -1.26 -4.67 105.19 96.78 2f54 n GLY 265 Ca 0.16 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2f54 n GLY 265 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f54 s LEU 266 N -1.36 3.81 0.56 0.99 1.98 -0.51 -4.10 118.68 120.04 2f54 s LEU 266 Ca 0.14 -0.27 0.33 0.00 -2.89 0.00 0.00 54.13 51.43 2f54 s LEU 266 Cb 0.06 -2.00 1.64 0.00 0.66 0.00 0.00 46.19 46.56 2f54 s LEU 266 CO 0.11 -0.09 2.11 1.55 -1.89 0.00 0.00 176.35 178.13 2f54 h PRO 267 N 8.31 0.00 -1.99 0.98 0.13 -1.85 -3.43 132.00 134.14 2f54 h PRO 267 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2f54 h PRO 267 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 2f54 h PRO 267 CO 0.58 0.06 0.08 0.21 -0.23 0.00 0.00 178.00 178.71 2f54 s LYS 268 N -4.02 0.77 -0.05 0.86 2.20 -1.26 -5.14 119.74 113.09 2f54 s LYS 268 Ca -0.02 1.11 -0.37 0.00 -0.36 0.00 0.00 55.97 56.33 2f54 s LYS 268 Cb 0.12 0.27 -0.15 0.00 -1.51 0.00 0.00 37.83 36.55 2f54 s LYS 268 CO 0.53 -0.13 1.58 -2.30 -0.36 0.00 0.00 175.35 174.68 2f54 n PRO 269 N 3.54 1.43 -1.93 4.03 -0.02 -1.26 -4.98 135.00 135.81 2f54 n PRO 269 Ca -0.17 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 2f54 n PRO 269 Cb 0.57 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 2f54 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2f54 s LEU 270 N 2.05 3.36 -0.13 2.45 2.01 -1.03 -4.89 118.68 122.49 2f54 s LEU 270 Ca 0.89 1.64 -0.05 0.00 0.01 0.00 0.00 54.13 56.62 2f54 s LEU 270 Cb -0.92 -4.51 0.06 0.00 0.01 0.00 0.00 46.19 40.84 2f54 s LEU 270 CO 0.52 -1.10 0.28 0.42 1.01 0.00 0.00 176.35 177.48 2f54 s THR 271 N -2.80 -0.28 0.14 5.49 -4.23 -1.26 -1.62 115.64 111.09 2f54 s THR 271 Ca 0.59 0.22 0.09 0.00 -1.18 0.00 0.00 61.69 61.41 2f54 s THR 271 Cb -0.13 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 2f54 s THR 271 CO 0.44 0.09 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.69 2f54 s LEU 272 N 1.99 2.75 -0.01 4.79 1.43 0.16 -4.93 118.68 124.87 2f54 s LEU 272 Ca -0.03 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2f54 s LEU 272 Cb -0.11 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 2f54 s LEU 272 CO -0.09 0.15 -0.05 -0.13 0.23 0.00 0.00 176.35 176.45 2f54 s ARG 273 N -2.41 0.47 0.00 1.70 0.52 -1.26 -2.12 118.95 115.85 2f54 s ARG 273 Ca 0.20 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 2f54 s ARG 273 Cb -0.10 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 34.91 2f54 s ARG 273 CO 0.12 0.10 0.46 1.87 0.02 0.00 0.00 175.30 177.87