#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4u s SER 2 N 0.00 6.15 0.11 1.61 1.04 -1.26 -3.65 113.70 117.70 2x4u s SER 2 Ca 0.00 0.68 -0.02 0.00 0.48 0.00 0.00 55.95 57.09 2x4u s SER 2 Cb 0.00 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 64.05 2x4u s SER 2 CO 0.00 -0.56 0.05 -1.00 0.98 0.00 0.00 173.24 172.71 2x4u s HIS 3 N -2.61 0.74 0.02 5.02 3.76 -0.66 -4.97 115.29 116.59 2x4u s HIS 3 Ca 0.46 -1.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2x4u s HIS 3 Cb -0.10 -0.43 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 2x4u s HIS 3 CO 0.41 -0.49 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.23 2x4u s SER 4 N -3.01 0.32 -0.06 1.40 1.04 -1.26 -0.99 113.70 111.13 2x4u s SER 4 Ca 0.19 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.19 2x4u s SER 4 Cb 0.07 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 2x4u s SER 4 CO -0.02 -0.27 -0.22 -0.32 0.98 0.00 0.00 173.24 173.40 2x4u s MET 5 N -1.40 2.39 -0.01 4.02 1.75 0.05 -0.39 119.30 125.70 2x4u s MET 5 Ca -0.14 -0.78 -0.00 0.00 -1.25 0.00 0.00 55.69 53.51 2x4u s MET 5 Cb -0.09 -1.97 0.01 0.00 2.84 0.00 0.00 34.83 35.62 2x4u s MET 5 CO -0.01 0.27 0.03 1.03 -0.65 0.00 0.00 175.02 175.69 2x4u s ARG 6 N 0.08 0.00 -0.10 4.11 0.52 -0.24 -1.21 118.95 122.11 2x4u s ARG 6 Ca -0.08 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 2x4u s ARG 6 Cb -0.14 -0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.22 2x4u s ARG 6 CO 0.05 -0.06 -0.10 0.71 0.02 0.00 0.00 175.30 175.91 2x4u s TYR 7 N 0.41 2.86 -0.14 -0.53 2.02 0.38 -0.25 117.35 122.10 2x4u s TYR 7 Ca -0.03 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 2x4u s TYR 7 Cb -0.05 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2x4u s TYR 7 CO -0.01 0.03 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.73 2x4u s PHE 8 N -0.12 2.70 -0.11 2.71 0.08 0.57 -2.13 117.98 121.67 2x4u s PHE 8 Ca 0.00 -1.23 0.03 0.00 0.12 0.00 0.00 56.93 55.85 2x4u s PHE 8 Cb -0.13 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 2x4u s PHE 8 CO 0.03 -0.56 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.33 2x4u s PHE 9 N 0.78 2.33 -0.07 0.36 0.08 0.68 -1.08 117.98 121.07 2x4u s PHE 9 Ca -0.07 -1.05 0.04 0.00 0.12 0.00 0.00 56.93 55.96 2x4u s PHE 9 Cb -0.16 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 2x4u s PHE 9 CO -0.01 -0.48 -0.18 0.99 -0.10 0.00 0.00 175.22 175.44 2x4u s THR 10 N 0.68 1.58 -0.08 0.64 2.01 0.09 -0.98 115.64 119.58 2x4u s THR 10 Ca -0.12 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.12 2x4u s THR 10 Cb -0.16 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 70.99 2x4u s THR 10 CO 0.03 0.45 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.78 2x4u s SER 11 N 0.28 1.76 -0.20 3.53 0.15 -0.35 -0.77 113.70 118.10 2x4u s SER 11 Ca -0.11 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2x4u s SER 11 Cb -0.15 -0.72 0.05 0.00 -1.71 0.00 0.00 66.02 63.49 2x4u s SER 11 CO 0.05 -0.07 -0.07 -0.69 1.20 0.00 0.00 173.24 173.66 2x4u s VAL 12 N 1.27 1.44 0.31 4.45 1.01 0.18 -0.75 120.40 128.31 2x4u s VAL 12 Ca -0.04 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 2x4u s VAL 12 Cb -0.14 -1.63 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 2x4u s VAL 12 CO -0.03 0.04 1.39 -0.94 0.00 0.00 0.00 175.10 175.57 2x4u s SER 13 N 1.47 6.64 -0.53 3.32 1.04 -0.44 -1.07 113.70 124.13 2x4u s SER 13 Ca -0.03 2.75 0.05 0.00 0.48 0.00 0.00 55.95 59.21 2x4u s SER 13 Cb -0.17 -2.64 0.20 0.00 0.10 0.00 0.00 66.02 63.51 2x4u s SER 13 CO -0.07 -0.67 0.49 0.54 0.98 0.00 0.00 173.24 174.51 2x4u n ARG 14 N 1.34 1.14 -1.67 4.02 1.74 -1.26 -3.97 116.66 118.01 2x4u n ARG 14 Ca 0.03 -3.80 -0.46 0.00 -0.77 0.00 0.00 57.85 52.85 2x4u n ARG 14 Cb 0.41 -1.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 2x4u n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2x4u n PRO 15 N 1.97 2.13 -1.42 5.56 -0.02 -1.26 -1.01 135.00 140.95 2x4u n PRO 15 Ca 0.25 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 62.36 2x4u n PRO 15 Cb 0.44 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 2x4u n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x4u n GLY 16 N 3.17 1.49 2.13 -1.23 0.00 -1.26 -4.83 105.19 104.66 2x4u n GLY 16 Ca 0.16 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2x4u n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4u n ARG 17 N -2.58 0.83 0.00 1.61 1.74 -0.18 -5.14 116.66 112.94 2x4u n ARG 17 Ca -0.14 -2.61 0.00 0.00 -0.77 0.00 0.00 57.85 54.33 2x4u n ARG 17 Cb 0.47 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 2x4u n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x4u n GLY 18 N -0.10 -1.11 3.42 -0.13 0.00 -1.24 -4.89 105.19 101.15 2x4u n GLY 18 Ca 0.04 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 2x4u n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x4u n GLU 19 N -1.09 -0.01 -1.92 1.61 -0.58 -1.26 -4.44 120.64 112.95 2x4u n GLU 19 Ca 0.00 0.04 -0.38 0.00 -0.42 0.00 0.00 57.16 56.41 2x4u n GLU 19 Cb 0.00 -1.81 0.03 0.00 -0.57 0.00 0.00 31.44 29.09 2x4u n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2x4u s PRO 20 N -3.19 3.19 0.21 3.49 0.02 -1.26 -4.65 135.00 132.81 2x4u s PRO 20 Ca 0.60 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 63.38 2x4u s PRO 20 Cb -0.27 -2.20 -0.09 0.00 0.02 0.00 0.00 34.50 31.97 2x4u s PRO 20 CO 0.64 -1.10 1.26 0.50 -0.33 0.00 0.00 177.00 177.97 2x4u s ARG 21 N -2.98 4.44 -0.09 5.54 6.06 -0.23 -4.83 118.95 126.86 2x4u s ARG 21 Ca 0.72 1.99 0.01 0.00 -2.50 0.00 0.00 55.73 55.95 2x4u s ARG 21 Cb -0.36 -3.20 0.02 0.00 0.06 0.00 0.00 34.95 31.47 2x4u s ARG 21 CO 0.42 -0.16 -0.09 0.12 -2.50 0.00 0.00 175.30 173.09 2x4u s PHE 22 N -0.17 1.43 -0.07 5.12 5.36 -1.26 -0.64 117.98 127.74 2x4u s PHE 22 Ca 0.54 -0.63 0.02 0.00 -0.96 0.00 0.00 56.93 55.90 2x4u s PHE 22 Cb -0.35 -1.13 0.01 0.00 -0.34 0.00 0.00 43.02 41.21 2x4u s PHE 22 CO 0.39 -0.40 -0.13 0.42 -1.46 0.00 0.00 175.22 174.05 2x4u s ILE 23 N 1.24 1.19 -0.02 3.12 1.01 0.05 -1.40 121.20 126.40 2x4u s ILE 23 Ca -0.04 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.17 2x4u s ILE 23 Cb -0.14 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 2x4u s ILE 23 CO -0.03 0.37 -0.20 0.00 0.00 0.00 0.00 174.94 175.08 2x4u s ALA 24 N 0.71 1.70 0.02 9.38 0.00 0.20 -0.73 121.76 133.04 2x4u s ALA 24 Ca -0.14 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2x4u s ALA 24 Cb -0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2x4u s ALA 24 CO 0.03 0.40 -0.04 0.14 0.00 0.00 0.00 175.76 176.29 2x4u s VAL 25 N -0.40 0.28 -0.01 0.00 -7.23 -0.24 -0.24 120.40 112.55 2x4u s VAL 25 Ca 0.06 -0.63 0.07 0.00 -1.81 0.00 0.00 61.98 59.68 2x4u s VAL 25 Cb -0.09 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.50 2x4u s VAL 25 CO -0.00 -0.23 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.49 2x4u s GLY 26 N -0.91 1.34 -0.01 2.32 0.00 -0.83 -0.32 107.32 108.92 2x4u s GLY 26 Ca -0.07 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.57 2x4u s GLY 26 CO -0.00 -0.95 -0.14 -0.19 0.00 0.00 0.00 173.10 171.83 2x4u s TYR 27 N -0.67 1.22 -0.24 1.90 2.02 0.65 -1.35 117.35 120.88 2x4u s TYR 27 Ca 0.11 -0.23 -0.05 0.00 -0.37 0.00 0.00 57.07 56.52 2x4u s TYR 27 Cb -0.10 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 2x4u s TYR 27 CO -0.00 -0.02 0.02 0.08 -1.57 0.00 0.00 175.55 174.06 2x4u s VAL 28 N -0.34 3.79 0.00 0.71 1.01 -0.03 -1.08 120.40 124.46 2x4u s VAL 28 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2x4u s VAL 28 Cb -0.05 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2x4u s VAL 28 CO -0.00 0.34 0.00 0.47 0.00 0.00 0.00 175.10 175.90 2x4u n ASP 29 N 4.85 0.00 -1.80 3.32 8.00 0.47 -0.89 116.55 130.51 2x4u n ASP 29 Ca -0.17 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.34 2x4u n ASP 29 Cb 0.50 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.92 2x4u n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2x4u n ASP 30 N 4.57 4.89 -4.14 -2.24 8.00 -1.26 -4.89 116.55 121.47 2x4u n ASP 30 Ca 0.00 -2.93 -0.33 0.00 0.71 0.00 0.00 54.79 52.24 2x4u n ASP 30 Cb 0.00 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 40.25 2x4u n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4u s THR 31 N -2.61 2.28 0.35 -3.53 2.01 -0.07 -4.99 115.64 109.07 2x4u s THR 31 Ca 0.48 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 2x4u s THR 31 Cb 0.38 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.77 2x4u s THR 31 CO 0.13 0.44 1.09 -1.58 -0.69 0.00 0.00 174.62 174.01 2x4u s GLN 32 N 1.29 4.36 0.00 4.92 0.74 -1.26 -0.85 119.66 128.86 2x4u s GLN 32 Ca 0.03 1.69 0.00 0.00 0.05 0.00 0.00 55.36 57.13 2x4u s GLN 32 Cb -0.14 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.12 2x4u s GLN 32 CO -0.10 -0.01 0.00 1.97 -0.55 0.00 0.00 175.29 176.59 2x4u n PHE 33 N 0.51 0.00 -4.07 1.67 -1.74 -0.46 -4.06 117.46 109.32 2x4u n PHE 33 Ca 0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.82 2x4u n PHE 33 Cb 0.47 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.38 2x4u n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2x4u s VAL 34 N -0.42 0.11 -0.00 1.97 -7.23 -1.23 -0.17 120.40 113.42 2x4u s VAL 34 Ca 0.00 -1.72 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 2x4u s VAL 34 Cb 0.00 -1.87 0.06 0.00 0.56 0.00 0.00 36.38 35.14 2x4u s VAL 34 CO 0.00 -0.52 0.61 0.00 -0.31 0.00 0.00 175.10 174.89 2x4u s ARG 35 N -4.00 1.05 -0.04 4.82 1.04 -0.59 -1.96 118.95 119.27 2x4u s ARG 35 Ca 0.18 0.05 0.01 0.00 -1.04 0.00 0.00 55.73 54.94 2x4u s ARG 35 Cb 0.06 0.49 0.02 0.00 -2.04 0.00 0.00 34.95 33.48 2x4u s ARG 35 CO -0.01 -0.35 -0.06 0.12 -0.04 0.00 0.00 175.30 174.96 2x4u s PHE 36 N -1.73 0.77 -0.16 5.89 5.36 0.66 -0.81 117.98 127.97 2x4u s PHE 36 Ca -0.09 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.67 2x4u s PHE 36 Cb -0.01 -0.64 0.04 0.00 -0.34 0.00 0.00 43.02 42.08 2x4u s PHE 36 CO 0.05 -0.15 -0.03 0.34 -1.46 0.00 0.00 175.22 173.96 2x4u s ASP 37 N 0.66 2.65 0.63 6.13 -1.08 -1.26 -0.63 116.67 123.77 2x4u s ASP 37 Ca -0.09 -0.60 0.41 0.00 -0.52 0.00 0.00 52.55 51.75 2x4u s ASP 37 Cb -0.12 -0.80 2.23 0.00 -1.46 0.00 0.00 42.92 42.77 2x4u s ASP 37 CO 0.00 -0.20 2.26 0.77 0.52 0.00 0.00 175.17 178.52 2x4u h SER 38 N 8.17 0.00 0.02 -0.34 4.64 -1.63 0.45 113.55 124.85 2x4u h SER 38 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2x4u h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2x4u h SER 38 CO 0.37 0.00 -0.09 0.47 -0.87 0.00 0.00 176.83 176.72 2x4u n ASP 39 N -2.96 1.84 -4.88 4.97 8.00 -1.26 -4.94 116.55 117.32 2x4u n ASP 39 Ca -0.03 -1.52 -0.31 0.00 0.71 0.00 0.00 54.79 53.65 2x4u n ASP 39 Cb 0.09 0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2x4u n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4u s ALA 40 N -2.13 3.02 0.07 2.24 0.00 0.15 -5.01 121.76 120.09 2x4u s ALA 40 Ca 0.31 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 2x4u s ALA 40 Cb 0.20 -3.05 -0.11 0.00 0.00 0.00 0.00 23.12 20.16 2x4u s ALA 40 CO 0.38 -0.88 1.45 0.00 0.00 0.00 0.00 175.76 176.71 2x4u h ALA 41 N -0.46 0.28 -0.37 0.00 0.00 -1.92 -3.34 119.26 113.46 2x4u h ALA 41 Ca -0.44 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 2x4u h ALA 41 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2x4u h ALA 41 CO 0.63 0.08 0.01 0.66 0.00 0.00 0.00 179.25 180.63 2x4u h SER 42 N 0.12 0.54 -3.86 0.00 4.64 -1.94 -3.46 113.55 109.58 2x4u h SER 42 Ca 0.05 -0.10 -0.41 0.00 -0.47 0.00 0.00 61.79 60.86 2x4u h SER 42 Cb 0.52 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 62.50 2x4u h SER 42 CO 0.02 0.60 -0.58 0.00 -0.87 0.00 0.00 176.83 176.01 2x4u n GLN 43 N -4.27 -3.65 -4.16 4.77 1.13 -1.25 -5.00 117.38 104.94 2x4u n GLN 43 Ca 0.02 0.95 -0.14 0.00 -1.94 0.00 0.00 57.00 55.89 2x4u n GLN 43 Cb 0.25 -5.72 -0.11 0.00 0.11 0.00 0.00 30.24 24.77 2x4u n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2x4u s ARG 44 N -5.44 0.80 0.36 -1.09 1.81 -1.26 -5.03 118.95 109.10 2x4u s ARG 44 Ca 0.19 -1.12 -0.28 0.00 -1.72 0.00 0.00 55.73 52.79 2x4u s ARG 44 Cb -0.08 -0.46 -0.11 0.00 -0.45 0.00 0.00 34.95 33.85 2x4u s ARG 44 CO 0.23 0.07 1.43 1.41 -0.68 0.00 0.00 175.30 177.76 2x4u s MET 45 N -2.74 4.19 0.11 3.54 -2.45 -1.26 -4.70 119.30 115.98 2x4u s MET 45 Ca 0.04 2.46 0.06 0.00 -1.25 0.00 0.00 55.69 57.00 2x4u s MET 45 Cb -0.03 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 33.01 2x4u s MET 45 CO -0.01 -0.43 -0.16 -1.21 1.05 0.00 0.00 175.02 174.27 2x4u s GLU 46 N -1.93 1.01 0.33 4.11 2.02 0.01 -4.88 118.70 119.36 2x4u s GLU 46 Ca 0.52 -1.16 -0.27 0.00 0.02 0.00 0.00 54.97 54.09 2x4u s GLU 46 Cb -0.44 -1.02 -0.09 0.00 0.10 0.00 0.00 34.13 32.67 2x4u s GLU 46 CO 0.59 0.21 1.01 -1.25 0.02 0.00 0.00 175.26 175.85 2x4u s PRO 47 N -2.25 4.49 0.00 0.39 0.05 -1.26 -1.55 135.00 134.87 2x4u s PRO 47 Ca 0.06 1.50 0.00 0.00 0.05 0.00 0.00 61.00 62.61 2x4u s PRO 47 Cb -0.07 -2.85 0.00 0.00 0.05 0.00 0.00 34.50 31.62 2x4u s PRO 47 CO 0.03 0.16 0.50 0.54 0.05 0.00 0.00 177.00 178.29 2x4u n ARG 48 N 0.59 0.56 -4.15 4.56 5.12 0.76 -4.85 116.66 119.25 2x4u n ARG 48 Ca 0.02 -0.63 -0.15 0.00 -1.93 0.00 0.00 57.85 55.16 2x4u n ARG 48 Cb 0.48 -0.71 -0.13 0.00 -1.16 0.00 0.00 32.46 30.94 2x4u n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x4u s ALA 49 N -0.25 0.55 0.40 7.54 0.00 -1.23 -4.62 121.76 124.15 2x4u s ALA 49 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.58 2x4u s ALA 49 Cb 0.00 -0.07 0.82 0.00 0.00 0.00 0.00 23.12 23.87 2x4u s ALA 49 CO 0.00 0.08 2.02 -1.35 0.00 0.00 0.00 175.76 176.51 2x4u h PRO 50 N 5.45 0.52 0.00 0.00 0.11 -1.95 -2.64 132.00 133.49 2x4u h PRO 50 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2x4u h PRO 50 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2x4u h PRO 50 CO 0.47 0.39 0.00 -2.67 -0.21 0.00 0.00 178.00 175.98 2x4u n TRP 51 N -4.44 0.00 0.38 0.65 4.27 -1.26 -2.83 117.44 114.22 2x4u n TRP 51 Ca 0.03 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.71 2x4u n TRP 51 Cb 0.10 -0.40 -0.09 0.00 -1.36 0.00 0.00 31.31 29.56 2x4u n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2x4u n ILE 52 N -1.40 0.00 0.27 -1.67 0.13 -1.00 -4.59 119.36 111.10 2x4u n ILE 52 Ca 0.08 -0.24 0.10 0.00 -1.10 0.00 0.00 62.75 61.59 2x4u n ILE 52 Cb 0.22 0.65 0.70 0.00 -0.84 0.00 0.00 39.64 40.36 2x4u n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2x4u h GLU 53 N 0.00 0.00 -0.82 9.51 5.08 -1.47 -2.42 114.58 124.46 2x4u h GLU 53 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2x4u h GLU 53 Cb 0.47 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.50 2x4u h GLU 53 CO 0.00 0.01 0.43 1.04 -1.00 0.00 0.00 179.01 179.48 2x4u n GLN 54 N -4.37 2.63 0.17 2.33 1.13 -1.26 -4.58 117.38 113.43 2x4u n GLN 54 Ca -0.03 -3.06 0.02 0.00 -1.94 0.00 0.00 57.00 51.99 2x4u n GLN 54 Cb 0.09 -2.13 0.33 0.00 0.11 0.00 0.00 30.24 28.64 2x4u n GLN 54 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2x4u h GLU 55 N 1.50 0.02 0.00 -1.09 4.57 -1.74 -3.49 114.58 114.34 2x4u h GLU 55 Ca 0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 2x4u h GLU 55 Cb 2.52 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.11 2x4u h GLU 55 CO 0.88 0.42 0.00 0.41 -1.18 0.00 0.00 179.01 179.54 2x4u n GLY 56 N -0.37 2.68 0.32 1.92 0.00 -1.26 -4.63 105.19 103.84 2x4u n GLY 56 Ca -0.02 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 2x4u n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x4u h PRO 57 N 0.00 1.06 -0.46 1.61 0.13 -1.97 -2.51 132.00 129.85 2x4u h PRO 57 Ca 0.00 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 65.13 2x4u h PRO 57 Cb 0.00 -0.24 -0.06 0.00 0.13 0.00 0.00 31.00 30.83 2x4u h PRO 57 CO 0.00 0.70 0.13 1.49 -0.23 0.00 0.00 178.00 180.09 2x4u h GLU 58 N 1.09 0.28 0.08 0.86 4.22 -1.99 0.31 114.58 119.43 2x4u h GLU 58 Ca 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.73 2x4u h GLU 58 Cb -0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2x4u h GLU 58 CO -0.08 0.19 -0.08 -0.92 -2.18 0.00 0.00 179.01 175.94 2x4u h TYR 59 N 0.29 -0.19 -0.45 0.92 3.20 -1.72 -1.12 116.97 117.90 2x4u h TYR 59 Ca 0.22 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2x4u h TYR 59 Cb 0.26 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2x4u h TYR 59 CO -0.18 -0.12 -0.12 -1.49 -1.64 0.00 0.00 178.16 174.61 2x4u h TRP 60 N -0.17 0.98 -0.78 -3.82 4.06 -1.09 -0.81 115.95 114.31 2x4u h TRP 60 Ca 0.00 -0.21 0.03 0.00 2.06 0.00 0.00 58.89 60.77 2x4u h TRP 60 Cb 0.17 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 28.04 2x4u h TRP 60 CO -0.10 0.97 0.50 -0.44 -3.56 0.00 0.00 178.44 175.81 2x4u h ASP 61 N 0.70 0.82 -0.17 -3.49 3.32 -0.38 -1.35 116.42 115.86 2x4u h ASP 61 Ca 0.11 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2x4u h ASP 61 Cb 0.66 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2x4u h ASP 61 CO 0.05 0.56 -0.10 1.23 -1.72 0.00 0.00 179.24 179.26 2x4u h GLY 62 N 0.97 0.41 1.33 2.75 0.00 -0.89 -1.23 103.07 106.41 2x4u h GLY 62 Ca 0.31 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2x4u h GLY 62 CO -0.12 0.34 -0.04 0.83 0.00 0.00 0.00 176.54 177.56 2x4u h GLU 63 N 0.05 0.81 -0.38 4.80 4.39 -1.13 -1.58 114.58 121.55 2x4u h GLU 63 Ca 0.04 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 2x4u h GLU 63 Cb 0.59 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2x4u h GLU 63 CO 0.03 0.84 0.13 1.15 -1.16 0.00 0.00 179.01 180.00 2x4u h THR 64 N 0.75 1.20 -0.26 1.13 2.02 -1.17 -0.22 112.91 116.36 2x4u h THR 64 Ca 0.14 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.68 2x4u h THR 64 Cb 0.51 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2x4u h THR 64 CO 0.03 0.23 0.16 -0.09 0.37 0.00 0.00 175.52 176.21 2x4u h ARG 65 N 0.46 0.31 -0.48 6.66 2.43 -1.00 -2.34 114.38 120.42 2x4u h ARG 65 Ca 0.12 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 2x4u h ARG 65 Cb 0.23 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2x4u h ARG 65 CO -0.01 0.21 -0.21 0.87 -1.51 0.00 0.00 179.97 179.32 2x4u h LYS 66 N 0.32 1.00 0.00 0.20 1.57 -1.16 -2.59 116.57 115.91 2x4u h LYS 66 Ca 0.10 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 2x4u h LYS 66 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2x4u h LYS 66 CO -0.04 1.10 -0.22 -0.24 -0.57 0.00 0.00 179.45 179.48 2x4u h VAL 67 N 0.85 0.61 -0.15 0.50 3.04 -0.92 0.27 116.25 120.46 2x4u h VAL 67 Ca 0.11 -1.00 -0.20 0.00 -1.01 0.00 0.00 66.70 64.59 2x4u h VAL 67 Cb 0.79 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2x4u h VAL 67 CO 0.07 0.21 -0.72 0.11 -1.01 0.00 0.00 177.57 176.23 2x4u h LYS 68 N 0.00 0.65 -0.72 4.17 1.57 -1.29 -0.79 116.57 120.16 2x4u h LYS 68 Ca -0.00 -0.51 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2x4u h LYS 68 Cb 0.64 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 2x4u h LYS 68 CO 0.03 1.13 0.48 0.00 -0.57 0.00 0.00 179.45 180.52 2x4u h ALA 69 N 0.73 0.92 -0.27 3.86 0.00 -0.82 -0.37 119.26 123.31 2x4u h ALA 69 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2x4u h ALA 69 Cb 1.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2x4u h ALA 69 CO 0.14 0.34 0.15 0.45 0.00 0.00 0.00 179.25 180.32 2x4u h HIS 70 N 0.98 0.37 -0.88 0.00 3.86 -0.90 -1.64 115.15 116.94 2x4u h HIS 70 Ca 0.26 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.54 2x4u h HIS 70 Cb -0.11 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 2x4u h HIS 70 CO -0.02 0.31 0.57 1.03 0.86 0.00 0.00 177.93 180.68 2x4u h SER 71 N 0.32 0.85 -0.00 2.45 0.87 -0.58 -1.26 113.55 116.20 2x4u h SER 71 Ca 0.09 0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.43 2x4u h SER 71 Cb 0.06 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2x4u h SER 71 CO -0.02 0.54 -0.92 -0.61 -0.53 0.00 0.00 176.83 175.30 2x4u h GLN 72 N 0.96 0.63 -0.34 2.24 -0.00 -0.89 -2.12 115.11 115.59 2x4u h GLN 72 Ca 0.38 -0.67 0.06 0.00 -0.00 0.00 0.00 58.65 58.43 2x4u h GLN 72 Cb 0.25 0.19 -0.06 0.00 0.00 0.00 0.00 27.48 27.86 2x4u h GLN 72 CO -0.15 1.27 -0.02 1.15 0.00 0.00 0.00 178.83 181.08 2x4u h THR 73 N 0.26 0.72 0.00 2.39 2.02 -0.93 -2.06 112.91 115.32 2x4u h THR 73 Ca -0.11 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 2x4u h THR 73 Cb 1.59 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2x4u h THR 73 CO 0.18 0.01 -0.27 0.45 0.37 0.00 0.00 175.52 176.26 2x4u h HIS 74 N 0.07 0.00 -0.43 3.16 3.86 -1.22 0.13 115.15 120.72 2x4u h HIS 74 Ca 0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2x4u h HIS 74 Cb 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2x4u h HIS 74 CO -0.26 0.27 0.21 -0.09 0.86 0.00 0.00 177.93 178.93 2x4u h ARG 75 N 0.00 0.61 -0.22 2.45 2.43 -0.70 -2.30 114.38 116.65 2x4u h ARG 75 Ca -0.00 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 2x4u h ARG 75 Cb 0.55 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2x4u h ARG 75 CO 0.04 0.52 -0.53 0.28 -1.51 0.00 0.00 179.97 178.77 2x4u h VAL 76 N 0.55 1.31 -0.97 0.20 2.07 -0.91 -3.06 116.25 115.44 2x4u h VAL 76 Ca 0.15 -1.75 0.13 0.00 0.82 0.00 0.00 66.70 66.05 2x4u h VAL 76 Cb 0.10 1.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 2x4u h VAL 76 CO -0.02 0.55 0.59 0.44 0.02 0.00 0.00 177.57 179.15 2x4u h ASP 77 N 0.49 0.84 -0.72 0.57 3.32 -0.76 -0.69 116.42 119.46 2x4u h ASP 77 Ca 0.01 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 2x4u h ASP 77 Cb 1.08 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2x4u h ASP 77 CO 0.10 0.42 0.19 -0.07 -1.72 0.00 0.00 179.24 178.16 2x4u h LEU 78 N 0.90 1.09 -0.34 1.55 3.38 -1.31 0.11 115.31 120.68 2x4u h LEU 78 Ca 0.50 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 2x4u h LEU 78 Cb 0.56 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2x4u h LEU 78 CO -0.29 1.03 -0.18 1.23 0.09 0.00 0.00 178.44 180.32 2x4u h GLY 79 N 1.09 0.79 0.94 0.83 0.00 -1.44 -2.47 103.07 102.81 2x4u h GLY 79 Ca 0.23 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2x4u h GLY 79 CO -0.00 0.65 0.11 -0.84 0.00 0.00 0.00 176.54 176.47 2x4u h THR 80 N 0.51 1.11 -0.24 4.70 2.02 -0.75 -1.42 112.91 118.84 2x4u h THR 80 Ca 0.08 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 2x4u h THR 80 Cb 0.72 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2x4u h THR 80 CO 0.05 0.11 -0.22 -0.07 0.37 0.00 0.00 175.52 175.76 2x4u h LEU 81 N 0.23 0.44 -1.23 2.58 3.38 -0.82 0.36 115.31 120.24 2x4u h LEU 81 Ca 0.07 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2x4u h LEU 81 Cb 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2x4u h LEU 81 CO -0.01 0.66 -0.12 -0.09 0.09 0.00 0.00 178.44 178.97 2x4u h ARG 82 N 0.40 0.38 0.00 1.13 2.43 -1.26 -2.35 114.38 115.11 2x4u h ARG 82 Ca 0.06 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2x4u h ARG 82 Cb 0.60 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2x4u h ARG 82 CO 0.04 0.51 0.00 0.78 -1.51 0.00 0.00 179.97 179.79 2x4u h GLY 83 N 0.86 0.00 1.33 2.80 0.00 0.02 -0.30 103.07 107.77 2x4u h GLY 83 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.12 2x4u h GLY 83 CO 0.02 0.00 -1.47 -0.97 0.00 0.00 0.00 176.54 174.13 2x4u h TYR 84 N 0.00 0.26 -0.14 5.60 0.05 -0.71 -3.36 116.97 118.68 2x4u h TYR 84 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.59 2x4u h TYR 84 Cb 0.87 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.60 2x4u h TYR 84 CO 0.00 1.23 0.00 0.66 -1.05 0.00 0.00 178.16 179.00 2x4u n TYR 85 N -3.35 0.16 -3.70 4.88 4.02 -0.91 -4.95 117.16 113.31 2x4u n TYR 85 Ca -0.13 -0.09 -0.31 0.00 -0.01 0.00 0.00 57.90 57.36 2x4u n TYR 85 Cb 1.02 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.37 2x4u n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x4u n ASN 86 N 1.20 -5.32 -4.86 7.72 4.05 -0.19 -4.98 115.26 112.88 2x4u n ASN 86 Ca 0.14 -0.98 -0.24 0.00 0.45 0.00 0.00 54.58 53.95 2x4u n ASN 86 Cb 0.53 -3.09 -0.04 0.00 1.23 0.00 0.00 39.78 38.40 2x4u n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2x4u s GLN 87 N -5.84 3.10 0.61 1.20 -0.21 -0.79 -5.06 119.66 112.67 2x4u s GLN 87 Ca 0.39 -0.86 -0.18 0.00 0.02 0.00 0.00 55.36 54.73 2x4u s GLN 87 Cb -0.15 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 2x4u s GLN 87 CO 0.87 0.46 1.19 -1.54 -2.12 0.00 0.00 175.29 174.15 2x4u s SER 88 N -3.51 5.15 0.39 5.90 1.04 -1.26 -4.92 113.70 116.49 2x4u s SER 88 Ca 0.33 2.33 0.26 0.00 0.48 0.00 0.00 55.95 59.35 2x4u s SER 88 Cb -0.09 -2.59 0.77 0.00 0.10 0.00 0.00 66.02 64.21 2x4u s SER 88 CO 0.26 -1.62 1.75 1.05 0.98 0.00 0.00 173.24 175.66 2x4u h GLU 89 N 0.73 0.00 0.00 4.02 4.11 -1.99 -3.27 114.58 118.18 2x4u h GLU 89 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2x4u h GLU 89 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2x4u h GLU 89 CO 0.55 0.00 -0.55 0.00 0.07 0.00 0.00 179.01 179.08 2x4u n ALA 90 N -1.98 2.88 -2.29 1.06 0.00 -1.26 -4.78 120.51 114.14 2x4u n ALA 90 Ca 0.03 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 2x4u n ALA 90 Cb 0.42 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 2x4u n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x4u s GLY 91 N -3.61 2.57 0.09 0.00 0.00 -1.23 -4.73 107.32 100.40 2x4u s GLY 91 Ca 0.07 -0.02 -0.28 0.00 0.00 0.00 0.00 44.72 44.49 2x4u s GLY 91 CO 0.71 0.33 0.87 -0.45 0.00 0.00 0.00 173.10 174.56 2x4u s SER 92 N -1.46 7.39 0.18 1.64 0.15 -1.26 -4.76 113.70 115.58 2x4u s SER 92 Ca 0.35 1.65 0.04 0.00 0.70 0.00 0.00 55.95 58.70 2x4u s SER 92 Cb -0.17 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2x4u s SER 92 CO 0.19 -0.01 -0.07 -1.00 1.20 0.00 0.00 173.24 173.55 2x4u s HIS 93 N -0.13 1.40 -0.08 3.44 3.76 -1.25 -4.95 115.29 117.48 2x4u s HIS 93 Ca 0.43 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2x4u s HIS 93 Cb -0.22 -0.75 0.01 0.00 1.11 0.00 0.00 32.58 32.73 2x4u s HIS 93 CO 0.27 0.05 -0.15 0.99 -0.85 0.00 0.00 174.74 175.05 2x4u s THR 94 N -3.34 1.40 -0.04 1.30 2.01 -1.26 -1.32 115.64 114.39 2x4u s THR 94 Ca 0.21 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2x4u s THR 94 Cb 0.03 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2x4u s THR 94 CO 0.04 0.41 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 2x4u s VAL 95 N 0.61 3.30 -0.01 3.82 1.01 0.07 0.22 120.40 129.43 2x4u s VAL 95 Ca -0.15 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2x4u s VAL 95 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 2x4u s VAL 95 CO 0.05 0.53 -0.09 -1.10 0.00 0.00 0.00 175.10 174.49 2x4u s GLN 96 N -0.94 0.70 -0.02 2.72 -0.21 -0.04 -1.21 119.66 120.66 2x4u s GLN 96 Ca 0.13 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2x4u s GLN 96 Cb -0.11 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.24 2x4u s GLN 96 CO 0.02 0.19 0.01 0.50 -2.12 0.00 0.00 175.29 173.89 2x4u s ARG 97 N -0.21 0.10 -0.05 2.91 3.52 -0.16 -0.19 118.95 124.87 2x4u s ARG 97 Ca 0.03 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 2x4u s ARG 97 Cb -0.03 -0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.12 2x4u s ARG 97 CO -0.00 -0.09 -0.06 1.41 -0.81 0.00 0.00 175.30 175.74 2x4u s MET 98 N 0.68 1.00 0.10 5.12 1.75 -0.13 -0.23 119.30 127.59 2x4u s MET 98 Ca -0.06 -0.16 -0.03 0.00 -1.25 0.00 0.00 55.69 54.19 2x4u s MET 98 Cb -0.09 -0.96 -0.03 0.00 2.84 0.00 0.00 34.83 36.59 2x4u s MET 98 CO -0.02 -0.07 0.06 1.52 -0.65 0.00 0.00 175.02 175.86 2x4u s TYR 99 N 0.90 0.60 -2.15 4.11 -0.85 -0.91 -0.27 117.35 118.79 2x4u s TYR 99 Ca -0.11 -1.06 0.00 0.00 -0.52 0.00 0.00 57.07 55.38 2x4u s TYR 99 Cb -0.15 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.83 2x4u s TYR 99 CO 0.01 -0.48 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 2x4u n GLY 100 N -0.02 -1.48 3.22 5.49 0.00 -0.89 -0.47 105.19 111.03 2x4u n GLY 100 Ca -0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2x4u n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4u s ASP 102 N -2.31 3.28 0.21 0.00 1.01 -0.04 -0.77 116.67 118.04 2x4u s ASP 102 Ca -0.02 -0.65 0.11 0.00 0.71 0.00 0.00 52.55 52.70 2x4u s ASP 102 Cb 0.01 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.61 2x4u s ASP 102 CO -0.06 0.22 -0.21 0.68 0.21 0.00 0.00 175.17 176.01 2x4u s VAL 103 N -0.93 2.48 0.08 -1.27 -7.23 -0.16 -0.30 120.40 113.08 2x4u s VAL 103 Ca 0.13 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2x4u s VAL 103 Cb -0.10 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.64 2x4u s VAL 103 CO 0.04 -0.18 0.11 0.61 -0.31 0.00 0.00 175.10 175.37 2x4u n GLY 104 N 0.03 -1.15 0.34 2.32 0.00 0.24 -1.65 105.19 105.32 2x4u n GLY 104 Ca -0.11 -1.68 0.01 0.00 0.00 0.00 0.00 46.02 44.25 2x4u n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2x4u h SER 105 N -0.15 0.78 0.75 1.61 0.02 -1.90 -0.21 113.55 114.45 2x4u h SER 105 Ca -0.04 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2x4u h SER 105 Cb 0.10 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2x4u h SER 105 CO 0.03 0.57 0.00 -0.90 -1.14 0.00 0.00 176.83 175.39 2x4u n ASP 106 N -4.42 0.34 -0.19 3.07 5.68 -1.26 -4.71 116.55 115.06 2x4u n ASP 106 Ca 0.07 0.57 -0.02 0.00 -0.50 0.00 0.00 54.79 54.90 2x4u n ASP 106 Cb 0.05 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.37 2x4u n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2x4u n TRP 107 N -1.86 0.00 -2.69 2.11 7.02 -0.09 -5.04 117.44 116.89 2x4u n TRP 107 Ca 0.04 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.18 2x4u n TRP 107 Cb 0.24 -0.81 -0.05 0.00 -2.42 0.00 0.00 31.31 28.27 2x4u n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2x4u s ARG 108 N -1.87 4.09 0.18 -0.99 0.52 -1.26 -4.69 118.95 114.93 2x4u s ARG 108 Ca 0.00 1.26 -0.33 0.00 -0.52 0.00 0.00 55.73 56.14 2x4u s ARG 108 Cb 0.00 -2.22 -0.15 0.00 0.52 0.00 0.00 34.95 33.10 2x4u s ARG 108 CO 0.00 -0.17 1.30 0.34 0.02 0.00 0.00 175.30 176.79 2x4u n PHE 109 N -0.64 1.69 -0.04 -0.53 7.35 -1.26 -0.59 117.46 123.44 2x4u n PHE 109 Ca 0.07 0.56 -0.08 0.00 -0.76 0.00 0.00 57.45 57.24 2x4u n PHE 109 Cb 0.53 -2.37 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 2x4u n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2x4u n LEU 110 N 2.28 0.70 -3.48 -2.13 7.94 0.59 -4.72 117.00 118.18 2x4u n LEU 110 Ca 0.15 0.08 -0.11 0.00 -1.11 0.00 0.00 56.01 55.02 2x4u n LEU 110 Cb 0.26 -0.22 -0.03 0.00 0.53 0.00 0.00 43.42 43.96 2x4u n LEU 110 CO 0.62 0.19 0.55 0.00 -1.11 0.00 0.00 177.39 177.64 2x4u s ARG 111 N -2.14 1.01 0.17 1.96 1.70 -1.17 -4.99 118.95 115.49 2x4u s ARG 111 Ca -0.10 -0.24 0.07 0.00 -0.47 0.00 0.00 55.73 54.99 2x4u s ARG 111 Cb 0.04 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2x4u s ARG 111 CO 0.13 -0.41 -0.14 0.20 -1.08 0.00 0.00 175.30 174.00 2x4u s GLY 112 N -2.25 1.25 -0.03 3.88 0.00 -1.26 -0.86 107.32 108.04 2x4u s GLY 112 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 44.72 42.99 2x4u s GLY 112 CO -0.07 -1.59 0.48 -2.52 0.00 0.00 0.00 173.10 169.40 2x4u s TYR 113 N -2.74 -0.40 -0.22 1.90 -0.85 -0.75 -4.88 117.35 109.42 2x4u s TYR 113 Ca 0.17 0.67 -0.04 0.00 -0.52 0.00 0.00 57.07 57.35 2x4u s TYR 113 Cb -0.02 0.24 0.11 0.00 0.38 0.00 0.00 41.96 42.68 2x4u s TYR 113 CO 0.04 -0.49 0.35 -1.58 -1.52 0.00 0.00 175.55 172.35 2x4u s HIS 114 N -1.26 -0.70 0.04 -3.49 2.46 -1.26 -2.10 115.29 108.99 2x4u s HIS 114 Ca -0.12 0.85 0.07 0.00 0.47 0.00 0.00 55.06 56.32 2x4u s HIS 114 Cb -0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 32.58 32.39 2x4u s HIS 114 CO 0.07 -0.63 -0.20 -0.65 -2.47 0.00 0.00 174.74 170.86 2x4u s GLN 115 N 2.51 1.34 -0.01 2.88 -0.21 0.62 -0.84 119.66 125.95 2x4u s GLN 115 Ca 0.09 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.59 2x4u s GLN 115 Cb -0.15 -1.43 0.01 0.00 1.00 0.00 0.00 33.01 32.44 2x4u s GLN 115 CO -0.14 0.37 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.89 2x4u s TYR 116 N -0.77 0.41 0.02 0.91 5.04 -0.44 -0.95 117.35 121.58 2x4u s TYR 116 Ca 0.07 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.64 2x4u s TYR 116 Cb -0.09 -0.33 -0.02 0.00 0.35 0.00 0.00 41.96 41.88 2x4u s TYR 116 CO 0.01 -0.05 -0.05 0.00 -1.34 0.00 0.00 175.55 174.12 2x4u s ALA 117 N 0.24 0.38 -0.11 3.97 0.00 0.73 -1.09 121.76 125.88 2x4u s ALA 117 Ca -0.02 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2x4u s ALA 117 Cb -0.06 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2x4u s ALA 117 CO -0.00 -0.03 -0.23 -0.47 0.00 0.00 0.00 175.76 175.03 2x4u s TYR 118 N -1.01 2.56 -1.42 0.00 5.04 -0.16 -0.86 117.35 121.51 2x4u s TYR 118 Ca -0.08 -1.12 -0.01 0.00 -2.44 0.00 0.00 57.07 53.42 2x4u s TYR 118 Cb -0.07 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.51 2x4u s TYR 118 CO -0.00 -0.47 0.36 -0.25 -1.34 0.00 0.00 175.55 173.85 2x4u n ASP 119 N 3.69 -0.31 -0.07 4.32 8.00 0.13 -2.11 116.55 130.21 2x4u n ASP 119 Ca -0.19 -1.06 -0.01 0.00 0.71 0.00 0.00 54.79 54.24 2x4u n ASP 119 Cb 0.53 -2.80 -0.00 0.00 -0.02 0.00 0.00 41.12 38.83 2x4u n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4u n GLY 120 N -2.08 0.48 3.06 0.44 0.00 -1.26 -5.00 105.19 100.83 2x4u n GLY 120 Ca -0.31 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 2x4u n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x4u s LYS 121 N -0.87 0.94 0.11 1.61 2.20 -0.90 -5.10 119.74 117.73 2x4u s LYS 121 Ca 0.00 -0.41 -0.35 0.00 -0.36 0.00 0.00 55.97 54.85 2x4u s LYS 121 Cb 0.00 -0.90 -0.17 0.00 -1.51 0.00 0.00 37.83 35.24 2x4u s LYS 121 CO 0.00 0.24 1.11 -0.25 -0.36 0.00 0.00 175.35 176.09 2x4u n ASP 122 N 2.82 0.77 0.04 1.43 8.00 -1.26 -0.98 116.55 127.36 2x4u n ASP 122 Ca -0.14 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.49 2x4u n ASP 122 Cb 0.56 -1.10 -0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2x4u n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4u n TYR 123 N 1.58 0.00 -3.74 1.24 9.36 -0.25 -4.69 117.16 120.66 2x4u n TYR 123 Ca 0.17 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.26 2x4u n TYR 123 Cb 0.19 -0.04 -0.10 0.00 -0.63 0.00 0.00 39.34 38.76 2x4u n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2x4u s ILE 124 N -2.06 0.01 0.00 2.97 2.07 -1.00 -0.99 121.20 122.20 2x4u s ILE 124 Ca -0.02 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 2x4u s ILE 124 Cb 0.00 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 2x4u s ILE 124 CO 0.03 -0.02 -0.04 0.00 -1.91 0.00 0.00 174.94 172.99 2x4u s ALA 125 N 0.05 0.35 0.06 1.50 0.00 -0.80 -1.32 121.76 121.59 2x4u s ALA 125 Ca -0.01 -0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.41 2x4u s ALA 125 Cb -0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 2x4u s ALA 125 CO 0.01 0.07 1.26 -1.17 0.00 0.00 0.00 175.76 175.93 2x4u s LEU 126 N -0.23 4.36 0.80 0.00 2.96 -0.02 -0.73 118.68 125.81 2x4u s LEU 126 Ca 0.00 2.08 -0.11 0.00 -0.22 0.00 0.00 54.13 55.88 2x4u s LEU 126 Cb -0.02 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.16 2x4u s LEU 126 CO -0.00 -0.55 1.09 -0.54 -1.32 0.00 0.00 176.35 175.03 2x4u s LYS 127 N 1.29 2.10 0.43 1.98 1.02 -0.72 -4.57 119.74 121.27 2x4u s LYS 127 Ca 0.60 0.74 0.19 0.00 0.02 0.00 0.00 55.97 57.52 2x4u s LYS 127 Cb -0.31 -1.91 1.12 0.00 -0.52 0.00 0.00 37.83 36.21 2x4u s LYS 127 CO 0.29 -1.64 1.87 0.93 -0.92 0.00 0.00 175.35 175.88 2x4u h GLU 128 N -1.10 0.35 0.00 1.68 5.08 -1.90 0.41 114.58 119.09 2x4u h GLU 128 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2x4u h GLU 128 Cb 1.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2x4u h GLU 128 CO 0.58 0.23 0.00 0.38 -1.00 0.00 0.00 179.01 179.20 2x4u h ASP 129 N 0.36 0.00 -1.56 1.42 2.03 -1.93 -3.45 116.42 113.29 2x4u h ASP 129 Ca 0.45 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.42 2x4u h ASP 129 Cb 1.17 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.60 2x4u h ASP 129 CO -0.15 0.00 -0.36 0.18 -1.03 0.00 0.00 179.24 177.88 2x4u n LEU 130 N -2.41 -1.46 0.00 0.15 4.77 0.13 -4.85 117.00 113.33 2x4u n LEU 130 Ca 0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2x4u n LEU 130 Cb 0.24 -2.34 0.00 0.00 -2.33 0.00 0.00 43.42 38.99 2x4u n LEU 130 CO 0.21 -0.48 -0.43 0.54 -1.33 0.00 0.00 177.39 175.89 2x4u n ARG 131 N -2.54 0.80 -4.31 3.23 5.12 -1.26 -4.57 116.66 113.14 2x4u n ARG 131 Ca -0.18 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.54 2x4u n ARG 131 Cb 0.59 -0.93 -0.08 0.00 -1.16 0.00 0.00 32.46 30.87 2x4u n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2x4u s SER 132 N -1.73 1.83 0.14 0.55 1.04 -1.26 -4.90 113.70 109.37 2x4u s SER 132 Ca 0.00 -1.76 0.07 0.00 0.48 0.00 0.00 55.95 54.74 2x4u s SER 132 Cb 0.00 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2x4u s SER 132 CO 0.00 -1.05 -0.15 0.26 0.98 0.00 0.00 173.24 173.28 2x4u s TRP 133 N -3.41 1.51 -0.27 5.02 0.52 -1.26 -1.76 118.94 119.29 2x4u s TRP 133 Ca 0.39 -0.55 0.03 0.00 0.02 0.00 0.00 56.10 55.98 2x4u s TRP 133 Cb 0.02 -0.77 0.07 0.00 -1.15 0.00 0.00 33.47 31.64 2x4u s TRP 133 CO 0.26 0.20 -0.06 0.99 0.02 0.00 0.00 176.95 178.37 2x4u s THR 134 N -2.30 2.04 -0.04 2.01 2.01 0.09 -4.87 115.64 114.58 2x4u s THR 134 Ca 0.12 -1.71 -0.21 0.00 0.31 0.00 0.00 61.69 60.20 2x4u s THR 134 Cb -0.04 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 2x4u s THR 134 CO 0.04 -0.19 0.63 0.00 -0.69 0.00 0.00 174.62 174.41 2x4u s ALA 135 N 1.12 3.42 0.19 7.40 0.00 -1.26 -1.90 121.76 130.74 2x4u s ALA 135 Ca -0.04 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.06 2x4u s ALA 135 Cb -0.19 -2.82 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2x4u s ALA 135 CO -0.06 0.04 1.43 0.00 0.00 0.00 0.00 175.76 177.16 2x4u h ALA 136 N 6.19 0.63 -2.71 0.00 0.00 -1.34 -3.48 119.26 118.55 2x4u h ALA 136 Ca -0.43 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2x4u h ALA 136 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2x4u h ALA 136 CO 0.73 1.04 0.00 -0.40 0.00 0.00 0.00 179.25 180.61 2x4u n ASP 137 N -3.55 0.00 -0.07 0.00 5.68 -1.26 -5.03 116.55 112.31 2x4u n ASP 137 Ca -0.01 -0.41 -0.13 0.00 -0.50 0.00 0.00 54.79 53.74 2x4u n ASP 137 Cb 0.80 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.72 2x4u n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2x4u h MET 138 N 0.00 0.49 -0.91 0.11 1.85 -1.98 -2.41 114.93 112.07 2x4u h MET 138 Ca 0.00 -0.24 -0.02 0.00 -0.61 0.00 0.00 59.70 58.84 2x4u h MET 138 Cb 0.00 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 2x4u h MET 138 CO 0.00 0.80 0.51 0.00 -0.40 0.00 0.00 176.91 177.81 2x4u h ALA 139 N 0.68 1.17 0.00 0.39 0.00 -1.97 -1.28 119.26 118.26 2x4u h ALA 139 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2x4u h ALA 139 Cb 0.68 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2x4u h ALA 139 CO 0.04 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.93 2x4u h ALA 140 N 1.28 1.09 -0.55 0.00 0.00 -1.81 -2.24 119.26 117.03 2x4u h ALA 140 Ca 0.32 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2x4u h ALA 140 Cb 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2x4u h ALA 140 CO -0.05 0.04 0.01 1.96 0.00 0.00 0.00 179.25 181.20 2x4u h GLN 141 N 0.00 0.97 -0.24 0.00 1.08 -0.72 -0.01 115.11 116.20 2x4u h GLN 141 Ca -0.00 -0.31 0.04 0.00 -1.45 0.00 0.00 58.65 56.93 2x4u h GLN 141 Cb 0.23 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 2x4u h GLN 141 CO 0.00 0.97 0.00 1.15 -0.95 0.00 0.00 178.83 180.01 2x4u h THR 142 N 0.85 0.83 -0.29 -0.54 2.02 -1.41 0.80 112.91 115.18 2x4u h THR 142 Ca 0.16 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2x4u h THR 142 Cb 0.53 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2x4u h THR 142 CO 0.03 0.01 0.19 0.74 0.37 0.00 0.00 175.52 176.86 2x4u h THR 143 N 0.08 1.09 -0.22 3.16 2.02 -1.55 -1.01 112.91 116.49 2x4u h THR 143 Ca 0.11 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.16 2x4u h THR 143 Cb 0.14 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 2x4u h THR 143 CO -0.19 0.09 -0.17 0.50 0.37 0.00 0.00 175.52 176.12 2x4u h LYS 144 N 0.38 -0.16 -0.94 6.66 3.64 -0.33 0.19 116.57 126.02 2x4u h LYS 144 Ca 0.11 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2x4u h LYS 144 Cb -0.02 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2x4u h LYS 144 CO -0.02 -0.11 0.58 0.45 -2.27 0.00 0.00 179.45 178.08 2x4u h HIS 145 N -0.17 1.23 -0.55 1.91 3.86 -0.74 -0.76 115.15 119.94 2x4u h HIS 145 Ca 0.13 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 2x4u h HIS 145 Cb 0.36 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2x4u h HIS 145 CO -0.32 0.81 -0.06 -0.22 0.86 0.00 0.00 177.93 178.99 2x4u h LYS 146 N 1.29 1.02 0.03 2.45 3.64 0.04 -2.46 116.57 122.58 2x4u h LYS 146 Ca 0.34 -0.36 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 2x4u h LYS 146 Cb -0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2x4u h LYS 146 CO -0.07 1.04 -0.98 -1.49 -2.27 0.00 0.00 179.45 175.69 2x4u h TRP 147 N 0.90 0.22 -0.67 1.91 6.55 -0.48 -2.24 115.95 122.14 2x4u h TRP 147 Ca 0.15 -0.14 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 2x4u h TRP 147 Cb 0.63 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.88 2x4u h TRP 147 CO 0.04 1.03 0.37 0.93 -1.05 0.00 0.00 178.44 179.76 2x4u h GLU 148 N 0.06 0.92 0.00 0.49 5.08 -1.07 -1.85 114.58 118.21 2x4u h GLU 148 Ca -0.05 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 2x4u h GLU 148 Cb 1.66 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 2x4u h GLU 148 CO 0.14 0.67 -0.75 0.00 -1.00 0.00 0.00 179.01 178.07 2x4u h ALA 149 N 1.48 0.54 -0.11 3.43 0.00 -1.38 -3.19 119.26 120.03 2x4u h ALA 149 Ca 0.24 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2x4u h ALA 149 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2x4u h ALA 149 CO -0.04 0.94 0.00 0.00 0.00 0.00 0.00 179.25 180.15 2x4u n ALA 150 N -2.30 2.55 -4.04 0.00 0.00 -0.85 -4.92 120.51 110.95 2x4u n ALA 150 Ca 0.01 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 2x4u n ALA 150 Cb 0.82 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2x4u n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x4u n HIS 151 N 0.13 -2.05 0.02 0.00 -0.00 -0.74 -4.85 115.22 107.72 2x4u n HIS 151 Ca 0.17 0.86 -0.04 0.00 -0.00 0.00 0.00 57.72 58.71 2x4u n HIS 151 Cb 0.30 -3.57 0.19 0.00 -0.00 0.00 0.00 29.99 26.92 2x4u n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2x4u h VAL 152 N -1.84 1.27 -0.67 1.59 2.07 -1.74 -2.98 116.25 113.95 2x4u h VAL 152 Ca -0.59 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 65.66 2x4u h VAL 152 Cb 1.38 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 2x4u h VAL 152 CO 0.71 0.41 0.41 0.00 0.02 0.00 0.00 177.57 179.13 2x4u h ALA 153 N 1.29 0.87 -0.87 1.67 0.00 -1.89 -1.11 119.26 119.23 2x4u h ALA 153 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2x4u h ALA 153 Cb 0.70 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2x4u h ALA 153 CO 0.05 0.16 0.57 0.93 0.00 0.00 0.00 179.25 180.97 2x4u h GLU 154 N 0.80 1.14 -0.39 0.00 3.07 -1.77 -0.13 114.58 117.29 2x4u h GLU 154 Ca 0.27 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 2x4u h GLU 154 Cb 0.04 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 2x4u h GLU 154 CO -0.12 0.75 0.23 0.37 -1.40 0.00 0.00 179.01 178.84 2x4u h GLN 155 N 1.17 0.54 -0.40 2.33 4.15 -1.29 -2.10 115.11 119.50 2x4u h GLN 155 Ca 0.32 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.63 2x4u h GLN 155 Cb -0.13 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 2x4u h GLN 155 CO -0.07 0.41 0.01 -0.07 -1.93 0.00 0.00 178.83 177.19 2x4u h LEU 156 N 0.51 0.68 -1.03 -2.39 3.38 -0.78 -2.18 115.31 113.49 2x4u h LEU 156 Ca 0.14 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2x4u h LEU 156 Cb 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 2x4u h LEU 156 CO -0.02 0.81 0.65 -0.09 0.09 0.00 0.00 178.44 179.87 2x4u h ARG 157 N 0.53 1.16 -0.35 1.13 2.43 -0.93 0.24 114.38 118.59 2x4u h ARG 157 Ca 0.11 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2x4u h ARG 157 Cb 0.45 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2x4u h ARG 157 CO 0.02 0.77 0.12 0.00 -1.51 0.00 0.00 179.97 179.36 2x4u h ALA 158 N 1.45 0.46 0.20 2.80 0.00 -1.18 -1.00 119.26 121.99 2x4u h ALA 158 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2x4u h ALA 158 Cb 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x4u h ALA 158 CO -0.15 0.09 -0.09 -0.92 0.00 0.00 0.00 179.25 178.17 2x4u h TYR 159 N 0.42 -0.25 -0.77 0.00 3.20 -0.74 -1.16 116.97 117.66 2x4u h TYR 159 Ca 0.11 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2x4u h TYR 159 Cb 0.23 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2x4u h TYR 159 CO 0.00 -0.06 0.32 -0.07 -1.64 0.00 0.00 178.16 176.72 2x4u h LEU 160 N -0.38 1.05 0.00 2.82 3.38 -0.47 0.10 115.31 121.82 2x4u h LEU 160 Ca -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2x4u h LEU 160 Cb 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2x4u h LEU 160 CO 0.04 0.92 -0.34 -0.62 0.09 0.00 0.00 178.44 178.54 2x4u n GLU 161 N -4.32 0.23 0.00 1.13 1.02 -0.39 -3.66 120.64 114.65 2x4u n GLU 161 Ca 0.07 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2x4u n GLU 161 Cb 0.17 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2x4u n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x4u n GLY 162 N 1.35 0.38 0.32 0.62 0.00 -0.44 -4.72 105.19 102.71 2x4u n GLY 162 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2x4u n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x4u h THR 163 N 0.00 0.75 0.53 2.61 2.02 -1.52 -0.76 112.91 116.54 2x4u h THR 163 Ca 0.00 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2x4u h THR 163 Cb 0.00 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 2x4u h THR 163 CO 0.00 0.13 -0.27 0.00 0.37 0.00 0.00 175.52 175.75 2x4u h VAL 165 N -0.73 1.48 -0.32 0.00 -1.51 -1.58 -1.46 116.25 112.13 2x4u h VAL 165 Ca -0.07 -2.60 -0.00 0.00 -1.23 0.00 0.00 66.70 62.80 2x4u h VAL 165 Cb 0.57 2.42 -0.02 0.00 -2.13 0.00 0.00 31.29 32.14 2x4u h VAL 165 CO 0.11 0.73 0.20 -0.08 -1.23 0.00 0.00 177.57 177.29 2x4u h GLU 166 N 0.00 0.43 0.01 5.19 4.81 -1.05 -1.92 114.58 122.05 2x4u h GLU 166 Ca -0.01 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 2x4u h GLU 166 Cb 1.36 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2x4u h GLU 166 CO 0.10 0.32 -0.96 -1.49 -0.73 0.00 0.00 179.01 176.25 2x4u h TRP 167 N 0.41 0.03 -0.37 0.92 4.06 -1.22 -2.56 115.95 117.22 2x4u h TRP 167 Ca 0.11 -0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.11 2x4u h TRP 167 Cb -0.00 -0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 2x4u h TRP 167 CO -0.04 0.96 0.04 1.25 -3.56 0.00 0.00 178.44 177.09 2x4u h LEU 168 N 0.01 -0.06 -0.93 -4.49 5.85 -1.18 0.53 115.31 115.04 2x4u h LEU 168 Ca -0.02 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2x4u h LEU 168 Cb 1.68 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.79 2x4u h LEU 168 CO 0.13 0.01 0.32 0.03 -0.34 0.00 0.00 178.44 178.58 2x4u h ARG 169 N 0.16 1.09 -0.56 1.25 3.08 -1.27 -0.18 114.38 117.95 2x4u h ARG 169 Ca 0.18 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2x4u h ARG 169 Cb 0.23 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2x4u h ARG 169 CO -0.26 0.87 0.27 -0.09 -1.07 0.00 0.00 179.97 179.69 2x4u h ARG 170 N 1.07 0.80 -0.44 0.04 2.43 -1.01 -1.91 114.38 115.37 2x4u h ARG 170 Ca 0.25 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2x4u h ARG 170 Cb 0.17 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2x4u h ARG 170 CO -0.03 0.66 0.13 1.88 -1.51 0.00 0.00 179.97 181.10 2x4u h TYR 171 N 0.75 0.72 -0.95 2.20 0.05 -0.41 0.08 116.97 119.42 2x4u h TYR 171 Ca 0.19 -0.08 0.09 0.00 0.05 0.00 0.00 58.73 58.99 2x4u h TYR 171 Cb 0.12 -0.21 -0.07 0.00 1.01 0.00 0.00 36.73 37.58 2x4u h TYR 171 CO -0.00 0.66 0.61 -0.07 -1.05 0.00 0.00 178.16 178.30 2x4u h LEU 172 N 0.57 0.90 -0.03 3.88 3.38 -0.89 0.13 115.31 123.25 2x4u h LEU 172 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2x4u h LEU 172 Cb 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2x4u h LEU 172 CO -0.00 0.53 -0.02 -0.33 0.09 0.00 0.00 178.44 178.71 2x4u h GLU 173 N 1.00 0.06 -0.51 1.13 5.08 -1.05 -1.88 114.58 118.40 2x4u h GLU 173 Ca 0.44 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.82 2x4u h GLU 173 Cb 0.35 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2x4u h GLU 173 CO -0.19 0.52 0.23 -0.91 -1.00 0.00 0.00 179.01 177.66 2x4u h ASN 174 N -0.40 0.30 -0.84 1.42 2.35 -0.35 -2.80 115.58 115.26 2x4u h ASN 174 Ca 0.00 0.04 -0.57 0.00 -0.55 0.00 0.00 56.30 55.23 2x4u h ASN 174 Cb 0.51 -0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.55 2x4u h ASN 174 CO 0.01 0.20 0.10 0.61 -1.65 0.00 0.00 177.43 176.70 2x4u n GLY 175 N -1.26 5.94 0.34 2.83 0.00 0.38 -4.74 105.19 108.67 2x4u n GLY 175 Ca 0.05 -2.29 0.20 0.00 0.00 0.00 0.00 46.02 43.98 2x4u n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2x4u h LYS 176 N 1.93 0.00 0.24 1.61 2.10 -1.05 0.47 116.57 121.87 2x4u h LYS 176 Ca 0.48 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.80 2x4u h LYS 176 Cb 1.27 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.64 2x4u h LYS 176 CO 1.13 0.00 -1.45 0.93 -2.00 0.00 0.00 179.45 178.05 2x4u h GLU 177 N 0.00 0.54 0.01 0.07 5.08 -1.85 -2.98 114.58 115.45 2x4u h GLU 177 Ca 0.00 -0.90 -0.12 0.00 -1.00 0.00 0.00 59.36 57.34 2x4u h GLU 177 Cb 0.19 0.33 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2x4u h GLU 177 CO -0.00 1.43 -0.62 1.15 -1.00 0.00 0.00 179.01 179.97 2x4u h THR 178 N 0.16 1.39 0.11 1.13 2.02 -1.56 -3.38 112.91 112.78 2x4u h THR 178 Ca -0.25 -2.29 -0.26 0.00 0.77 0.00 0.00 66.41 64.38 2x4u h THR 178 Cb 2.14 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 71.43 2x4u h THR 178 CO 0.27 0.50 -1.19 -0.07 0.37 0.00 0.00 175.52 175.40 2x4u h LEU 179 N -0.94 0.38 -2.76 2.58 3.38 -0.30 -3.28 115.31 114.37 2x4u h LEU 179 Ca -0.16 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2x4u h LEU 179 Cb 1.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2x4u h LEU 179 CO -0.08 1.30 0.00 0.00 0.09 0.00 0.00 178.44 179.76 2x4u n GLN 180 N -3.53 3.65 -3.78 1.13 6.02 -1.13 -4.88 117.38 114.87 2x4u n GLN 180 Ca -0.07 -2.27 -0.30 0.00 -0.01 0.00 0.00 57.00 54.34 2x4u n GLN 180 Cb 1.00 -1.98 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 2x4u n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2x4u s ARG 181 N -2.15 3.53 -0.11 -1.09 1.70 -1.24 -4.99 118.95 114.59 2x4u s ARG 181 Ca 0.40 -0.28 0.03 0.00 -0.47 0.00 0.00 55.73 55.40 2x4u s ARG 181 Cb 0.29 -2.92 0.01 0.00 -0.57 0.00 0.00 34.95 31.75 2x4u s ARG 181 CO 0.14 0.51 -0.22 0.95 -1.08 0.00 0.00 175.30 175.60 2x4u s THR 182 N -1.64 1.94 -0.39 4.99 -4.23 -1.26 -4.69 115.64 110.37 2x4u s THR 182 Ca 0.38 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.83 2x4u s THR 182 Cb -0.12 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.04 2x4u s THR 182 CO 0.27 0.53 0.25 -1.81 -0.54 0.00 0.00 174.62 173.32 2x4u s ASP 183 N 0.59 5.92 0.40 3.99 1.11 0.05 -4.90 116.67 123.83 2x4u s ASP 183 Ca -0.13 -0.90 -0.26 0.00 0.18 0.00 0.00 52.55 51.44 2x4u s ASP 183 Cb -0.17 -2.09 -0.09 0.00 1.07 0.00 0.00 42.92 41.64 2x4u s ASP 183 CO 0.04 -0.40 1.28 0.00 1.18 0.00 0.00 175.17 177.27 2x4u s ALA 184 N 1.62 3.26 0.29 5.23 0.00 -1.26 -1.12 121.76 129.78 2x4u s ALA 184 Ca 0.04 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 2x4u s ALA 184 Cb -0.19 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 2x4u s ALA 184 CO 0.08 -0.77 1.45 -1.25 0.00 0.00 0.00 175.76 175.28 2x4u s PRO 185 N -2.21 4.23 -0.20 0.00 0.04 -1.26 -4.62 135.00 130.98 2x4u s PRO 185 Ca 0.56 2.37 -0.21 0.00 0.04 0.00 0.00 61.00 63.77 2x4u s PRO 185 Cb -0.37 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 2x4u s PRO 185 CO 0.48 -0.44 0.63 0.15 0.04 0.00 0.00 177.00 177.86 2x4u s LYS 186 N -0.83 4.20 0.18 4.56 1.02 -0.42 -4.82 119.74 123.63 2x4u s LYS 186 Ca 0.58 0.61 0.09 0.00 0.02 0.00 0.00 55.97 57.27 2x4u s LYS 186 Cb -0.43 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 2x4u s LYS 186 CO 0.48 -0.25 -0.10 0.95 -0.92 0.00 0.00 175.35 175.51 2x4u s THR 187 N 1.96 3.17 0.17 2.17 -4.23 -1.26 -0.71 115.64 116.90 2x4u s THR 187 Ca 0.29 -1.66 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 2x4u s THR 187 Cb -0.16 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.18 2x4u s THR 187 CO 0.10 -0.10 0.75 -1.38 -0.54 0.00 0.00 174.62 173.45 2x4u s HIS 188 N -1.69 -0.33 0.03 3.99 -3.43 -1.00 -5.00 115.29 107.87 2x4u s HIS 188 Ca 0.25 0.04 0.06 0.00 -0.80 0.00 0.00 55.06 54.61 2x4u s HIS 188 Cb -0.09 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.65 2x4u s HIS 188 CO 0.15 -0.91 -0.16 -1.64 -2.00 0.00 0.00 174.74 170.18 2x4u s MET 189 N -3.61 2.16 0.23 -0.38 -1.94 -1.26 -0.68 119.30 113.83 2x4u s MET 189 Ca 0.07 -0.93 0.10 0.00 -1.71 0.00 0.00 55.69 53.22 2x4u s MET 189 Cb -0.03 -2.24 -0.05 0.00 2.01 0.00 0.00 34.83 34.53 2x4u s MET 189 CO -0.04 0.55 -0.19 0.95 -0.01 0.00 0.00 175.02 176.29 2x4u s THR 190 N -0.93 2.16 -0.06 2.05 -4.23 -0.30 -4.97 115.64 109.37 2x4u s THR 190 Ca 0.15 -2.23 -0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2x4u s THR 190 Cb -0.11 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.63 2x4u s THR 190 CO 0.05 -0.40 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.45 2x4u s HIS 191 N -2.44 0.61 -0.03 3.99 2.46 -1.26 -1.74 115.29 116.89 2x4u s HIS 191 Ca 0.24 -0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.64 2x4u s HIS 191 Cb -0.04 -0.69 0.03 0.00 -0.13 0.00 0.00 32.58 31.74 2x4u s HIS 191 CO 0.11 -0.26 0.01 -1.01 -2.47 0.00 0.00 174.74 171.12 2x4u s HIS 192 N 1.55 0.24 0.26 3.88 3.76 -0.70 -4.98 115.29 119.29 2x4u s HIS 192 Ca -0.02 0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 2x4u s HIS 192 Cb -0.13 -0.37 -0.10 0.00 1.11 0.00 0.00 32.58 33.09 2x4u s HIS 192 CO -0.03 -0.12 1.41 0.00 -0.85 0.00 0.00 174.74 175.15 2x4u s ALA 193 N 1.05 3.60 -0.20 -1.40 0.00 -1.26 0.68 121.76 124.23 2x4u s ALA 193 Ca -0.09 1.30 0.12 0.00 0.00 0.00 0.00 51.96 53.29 2x4u s ALA 193 Cb -0.13 -3.54 -0.21 0.00 0.00 0.00 0.00 23.12 19.24 2x4u s ALA 193 CO -0.02 -0.71 -0.02 0.28 0.00 0.00 0.00 175.76 175.29 2x4u n VAL 194 N 2.13 1.31 0.00 0.00 0.31 0.08 -4.81 118.33 117.35 2x4u n VAL 194 Ca 0.06 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2x4u n VAL 194 Cb 0.41 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 2x4u n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2x4u n SER 195 N -2.84 2.42 -0.01 4.52 3.41 -1.05 -4.96 113.62 115.11 2x4u n SER 195 Ca -0.34 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.37 2x4u n SER 195 Cb 1.06 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.86 2x4u n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2x4u n ASP 196 N 0.00 0.57 -0.03 4.04 5.75 -1.26 -4.52 116.55 121.10 2x4u n ASP 196 Ca 0.00 -0.11 0.01 0.00 -0.01 0.00 0.00 54.79 54.68 2x4u n ASP 196 Cb 0.00 1.79 0.01 0.00 -1.03 0.00 0.00 41.12 41.89 2x4u n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x4u n HIS 197 N -2.10 0.02 -3.78 2.11 1.44 -1.26 -4.85 115.22 106.80 2x4u n HIS 197 Ca -0.03 -0.52 -0.11 0.00 -2.01 0.00 0.00 57.72 55.05 2x4u n HIS 197 Cb 0.48 -0.05 -0.07 0.00 0.12 0.00 0.00 29.99 30.47 2x4u n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x4u s GLU 198 N -1.08 0.80 -0.02 -1.40 2.02 -1.26 -1.01 118.70 116.74 2x4u s GLU 198 Ca 0.02 -0.60 -0.13 0.00 0.02 0.00 0.00 54.97 54.28 2x4u s GLU 198 Cb 0.02 0.34 0.02 0.00 0.10 0.00 0.00 34.13 34.61 2x4u s GLU 198 CO 0.01 -0.26 0.28 0.00 0.02 0.00 0.00 175.26 175.31 2x4u s ALA 199 N -2.79 -0.70 -0.25 5.21 0.00 -0.17 -0.74 121.76 122.32 2x4u s ALA 199 Ca -0.03 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 2x4u s ALA 199 Cb -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2x4u s ALA 199 CO -0.05 -0.24 0.54 0.99 0.00 0.00 0.00 175.76 177.01 2x4u s THR 200 N -1.14 5.06 -0.26 0.00 2.01 0.22 -0.14 115.64 121.39 2x4u s THR 200 Ca -0.12 0.95 -0.10 0.00 0.31 0.00 0.00 61.69 62.73 2x4u s THR 200 Cb -0.05 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2x4u s THR 200 CO 0.03 0.09 0.16 -0.76 -0.69 0.00 0.00 174.62 173.45 2x4u s LEU 201 N 2.25 4.01 -0.13 4.42 1.02 -0.01 -1.73 118.68 128.50 2x4u s LEU 201 Ca 0.23 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.44 2x4u s LEU 201 Cb -0.16 -2.09 0.01 0.00 0.02 0.00 0.00 46.19 43.97 2x4u s LEU 201 CO 0.09 0.01 -0.22 -0.60 0.02 0.00 0.00 176.35 175.65 2x4u s ARG 202 N 1.39 3.02 -0.25 1.70 3.52 -0.71 -1.24 118.95 126.38 2x4u s ARG 202 Ca 0.07 -0.86 -0.09 0.00 -0.13 0.00 0.00 55.73 54.72 2x4u s ARG 202 Cb -0.15 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 2x4u s ARG 202 CO 0.07 0.04 0.11 0.00 -0.81 0.00 0.00 175.30 174.71 2x4u s TRP 204 N 1.44 3.12 -0.15 0.00 0.52 0.15 -1.33 118.94 122.69 2x4u s TRP 204 Ca 0.06 0.05 0.01 0.00 0.02 0.00 0.00 56.10 56.24 2x4u s TRP 204 Cb -0.15 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.33 2x4u s TRP 204 CO 0.06 0.30 -0.17 0.00 0.02 0.00 0.00 176.95 177.15 2x4u s ALA 205 N -0.41 2.06 0.09 0.98 0.00 0.18 -2.36 121.76 122.29 2x4u s ALA 205 Ca 0.08 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.09 2x4u s ALA 205 Cb -0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 2x4u s ALA 205 CO 0.02 -0.28 -0.19 -0.51 0.00 0.00 0.00 175.76 174.81 2x4u s LEU 206 N 1.25 2.28 -1.37 0.00 1.43 0.11 -1.45 118.68 120.93 2x4u s LEU 206 Ca 0.02 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 2x4u s LEU 206 Cb -0.14 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.34 2x4u s LEU 206 CO -0.09 0.03 0.92 -0.24 0.23 0.00 0.00 176.35 177.20 2x4u n SER 207 N 1.25 -3.36 -4.80 2.29 2.88 -0.55 -1.30 113.62 110.02 2x4u n SER 207 Ca -0.20 -0.73 -0.22 0.00 -1.33 0.00 0.00 58.87 56.40 2x4u n SER 207 Cb 0.54 -4.35 -0.05 0.00 -0.75 0.00 0.00 64.21 59.60 2x4u n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4u s PHE 208 N -3.45 2.99 -0.26 0.66 -0.12 -0.90 -4.68 117.98 112.23 2x4u s PHE 208 Ca 0.31 -0.18 -0.20 0.00 -0.05 0.00 0.00 56.93 56.81 2x4u s PHE 208 Cb -0.15 -1.48 0.07 0.00 -0.63 0.00 0.00 43.02 40.84 2x4u s PHE 208 CO 0.79 0.45 0.66 -0.47 -0.05 0.00 0.00 175.22 176.60 2x4u s TYR 209 N -2.22 -0.86 0.39 3.49 5.04 -0.27 -0.83 117.35 122.09 2x4u s TYR 209 Ca 0.35 1.90 -0.07 0.00 -2.44 0.00 0.00 57.07 56.82 2x4u s TYR 209 Cb -0.07 0.41 0.09 0.00 0.35 0.00 0.00 41.96 42.74 2x4u s TYR 209 CO 0.24 -0.42 0.42 -0.35 -1.34 0.00 0.00 175.55 174.10 2x4u n PRO 210 N 3.45 -1.18 0.05 4.97 -0.04 -1.26 -0.77 135.00 140.22 2x4u n PRO 210 Ca -0.17 -0.66 -0.03 0.00 -0.04 0.00 0.00 63.50 62.60 2x4u n PRO 210 Cb 0.57 -0.53 0.22 0.00 -0.04 0.00 0.00 33.50 33.71 2x4u n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x4u h ALA 211 N -2.11 1.11 -2.29 0.55 0.00 -1.94 -3.45 119.26 111.13 2x4u h ALA 211 Ca -0.15 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 2x4u h ALA 211 Cb 0.43 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.16 2x4u h ALA 211 CO 0.10 0.56 0.92 -1.91 0.00 0.00 0.00 179.25 178.92 2x4u n GLU 212 N -4.09 2.30 -3.47 0.00 4.07 -1.26 -4.96 120.64 113.23 2x4u n GLU 212 Ca -0.01 0.83 -0.14 0.00 -0.06 0.00 0.00 57.16 57.79 2x4u n GLU 212 Cb 0.43 -2.64 -0.04 0.00 -0.06 0.00 0.00 31.44 29.14 2x4u n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2x4u s ILE 213 N 1.78 0.00 -0.14 6.31 2.07 -1.26 -4.65 121.20 125.31 2x4u s ILE 213 Ca 0.82 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 2x4u s ILE 213 Cb -0.64 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.97 2x4u s ILE 213 CO 0.40 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.42 2x4u s THR 214 N -2.65 1.38 -0.17 4.00 2.01 -0.45 -5.00 115.64 114.76 2x4u s THR 214 Ca -0.03 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2x4u s THR 214 Cb -0.01 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.18 2x4u s THR 214 CO -0.04 0.42 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.39 2x4u s LEU 215 N 1.56 2.42 0.01 4.42 1.43 -1.26 -1.27 118.68 126.00 2x4u s LEU 215 Ca 0.05 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2x4u s LEU 215 Cb -0.13 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2x4u s LEU 215 CO -0.10 0.05 -0.02 0.42 0.23 0.00 0.00 176.35 176.94 2x4u s THR 216 N 0.99 0.10 -0.05 5.49 -4.23 -0.72 -4.96 115.64 112.25 2x4u s THR 216 Ca -0.02 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2x4u s THR 216 Cb -0.15 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.51 2x4u s THR 216 CO -0.03 -0.14 0.12 0.26 -0.54 0.00 0.00 174.62 174.28 2x4u s TRP 217 N -0.48 3.44 0.05 3.99 0.52 -1.26 0.01 118.94 125.21 2x4u s TRP 217 Ca -0.05 0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.47 2x4u s TRP 217 Cb -0.03 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 2x4u s TRP 217 CO -0.00 0.63 -0.15 -0.65 0.02 0.00 0.00 176.95 176.79 2x4u s GLN 218 N -1.45 0.94 -0.22 4.98 1.11 -0.06 -1.42 119.66 123.55 2x4u s GLN 218 Ca 0.20 -0.85 0.02 0.00 0.01 0.00 0.00 55.36 54.74 2x4u s GLN 218 Cb -0.12 -0.98 0.04 0.00 -1.01 0.00 0.00 33.01 30.94 2x4u s GLN 218 CO 0.10 0.23 -0.14 0.50 0.01 0.00 0.00 175.29 175.99 2x4u s ARG 219 N -1.36 2.50 -1.56 2.91 3.52 -0.62 -1.62 118.95 122.71 2x4u s ARG 219 Ca 0.01 -1.05 -0.14 0.00 -0.13 0.00 0.00 55.73 54.42 2x4u s ARG 219 Cb -0.09 -2.68 0.10 0.00 -1.56 0.00 0.00 34.95 30.73 2x4u s ARG 219 CO 0.02 -0.40 0.91 -0.25 -0.81 0.00 0.00 175.30 174.77 2x4u n ASP 220 N 4.55 -4.20 0.00 -2.12 8.00 -0.45 -1.44 116.55 120.90 2x4u n ASP 220 Ca -0.17 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2x4u n ASP 220 Cb 0.46 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 2x4u n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4u n GLY 221 N -1.63 2.69 3.65 0.44 0.00 -1.26 -5.00 105.19 104.08 2x4u n GLY 221 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2x4u n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4u s GLU 222 N -0.06 4.17 0.11 1.61 0.41 -0.52 -4.96 118.70 119.47 2x4u s GLU 222 Ca 0.00 0.59 -0.34 0.00 -0.41 0.00 0.00 54.97 54.81 2x4u s GLU 222 Cb 0.00 -3.61 -0.14 0.00 -1.78 0.00 0.00 34.13 28.60 2x4u s GLU 222 CO 0.00 -0.31 1.58 -0.25 -0.49 0.00 0.00 175.26 175.79 2x4u n ASP 223 N 5.32 2.92 -1.92 -0.19 8.00 -1.26 -1.59 116.55 127.83 2x4u n ASP 223 Ca -0.01 1.07 -0.18 0.00 0.71 0.00 0.00 54.79 56.38 2x4u n ASP 223 Cb 0.49 -1.38 0.19 0.00 -0.02 0.00 0.00 41.12 40.40 2x4u n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4u n GLN 224 N 3.72 2.14 -0.30 -1.24 1.13 -0.51 -4.75 117.38 117.58 2x4u n GLN 224 Ca 0.18 -3.07 0.11 0.00 -1.94 0.00 0.00 57.00 52.28 2x4u n GLN 224 Cb 0.27 -2.07 0.27 0.00 0.11 0.00 0.00 30.24 28.82 2x4u n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2x4u h THR 225 N 1.01 0.58 0.00 5.09 1.35 -1.90 0.20 112.91 119.25 2x4u h THR 225 Ca 0.51 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 2x4u h THR 225 Cb 2.52 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2x4u h THR 225 CO 0.89 0.09 0.00 1.56 -0.25 0.00 0.00 175.52 177.81 2x4u h GLN 226 N 0.49 0.00 -0.35 4.72 4.20 -1.99 -2.84 115.11 119.35 2x4u h GLN 226 Ca 0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.23 2x4u h GLN 226 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2x4u h GLN 226 CO -0.46 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.45 2x4u n ASP 227 N -2.84 3.33 -4.64 1.46 8.00 0.61 -4.97 116.55 117.51 2x4u n ASP 227 Ca 0.01 -2.32 -0.35 0.00 0.71 0.00 0.00 54.79 52.85 2x4u n ASP 227 Cb 0.31 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 2x4u n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4u s THR 228 N -1.58 4.86 -0.20 -3.53 2.01 -0.58 -4.55 115.64 112.07 2x4u s THR 228 Ca 0.31 -0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 2x4u s THR 228 Cb 0.20 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 2x4u s THR 228 CO 0.15 0.45 0.57 -0.70 -0.69 0.00 0.00 174.62 174.39 2x4u s GLU 229 N 0.46 4.20 -0.18 4.92 2.12 -0.12 -4.93 118.70 125.15 2x4u s GLU 229 Ca 0.04 0.50 -0.00 0.00 0.36 0.00 0.00 54.97 55.87 2x4u s GLU 229 Cb -0.12 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.74 2x4u s GLU 229 CO 0.00 -0.19 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.31 2x4u s LEU 230 N 1.77 1.79 0.54 2.70 2.96 -1.26 -0.88 118.68 126.31 2x4u s LEU 230 Ca 0.26 -0.80 -0.16 0.00 -0.22 0.00 0.00 54.13 53.22 2x4u s LEU 230 Cb -0.16 -0.95 -0.07 0.00 0.50 0.00 0.00 46.19 45.52 2x4u s LEU 230 CO 0.10 -0.21 1.00 0.68 -1.32 0.00 0.00 176.35 176.61 2x4u s VAL 231 N 1.60 4.44 0.39 1.68 -7.23 -1.14 -5.01 120.40 115.12 2x4u s VAL 231 Ca -0.01 1.11 -0.27 0.00 -1.81 0.00 0.00 61.98 61.00 2x4u s VAL 231 Cb -0.16 -3.68 -0.10 0.00 0.56 0.00 0.00 36.38 32.99 2x4u s VAL 231 CO -0.07 -0.73 1.42 -1.61 -0.31 0.00 0.00 175.10 173.80 2x4u s GLU 232 N -4.23 4.06 0.18 4.82 2.02 -1.26 -4.66 118.70 119.63 2x4u s GLU 232 Ca 0.59 2.43 -0.33 0.00 0.02 0.00 0.00 54.97 57.68 2x4u s GLU 232 Cb -0.11 -2.90 -0.14 0.00 0.10 0.00 0.00 34.13 31.08 2x4u s GLU 232 CO 0.35 -0.52 1.50 2.41 0.02 0.00 0.00 175.26 179.02 2x4u n THR 233 N 0.36 0.33 -4.17 3.63 -1.04 -1.26 -4.86 114.28 107.27 2x4u n THR 233 Ca 0.02 -0.08 -0.18 0.00 -2.04 0.00 0.00 64.05 61.76 2x4u n THR 233 Cb 0.41 -1.46 -0.12 0.00 -1.82 0.00 0.00 70.33 67.34 2x4u n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x4u s ARG 234 N 0.41 0.81 0.18 -2.82 1.70 -0.55 -4.96 118.95 113.73 2x4u s ARG 234 Ca 0.75 -0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 2x4u s ARG 234 Cb -0.69 -0.80 -0.07 0.00 -0.57 0.00 0.00 34.95 32.81 2x4u s ARG 234 CO 0.43 0.18 1.03 -1.25 -1.08 0.00 0.00 175.30 174.60 2x4u s PRO 235 N -1.76 4.68 0.46 3.89 0.04 -1.26 -0.86 135.00 140.20 2x4u s PRO 235 Ca -0.02 1.60 0.25 0.00 0.04 0.00 0.00 61.00 62.87 2x4u s PRO 235 Cb -0.10 -3.30 0.58 0.00 0.04 0.00 0.00 34.50 31.72 2x4u s PRO 235 CO 0.02 0.22 1.70 0.00 0.04 0.00 0.00 177.00 178.97 2x4u h ALA 236 N 4.96 1.00 0.00 8.56 0.00 -1.51 -3.47 119.26 128.80 2x4u h ALA 236 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2x4u h ALA 236 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2x4u h ALA 236 CO 0.71 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.37 2x4u n GLY 237 N 0.86 0.33 0.39 0.00 0.00 -1.26 -4.92 105.19 100.59 2x4u n GLY 237 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2x4u n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x4u n ASP 238 N 0.00 2.76 0.00 1.61 5.75 -1.26 -4.94 116.55 120.47 2x4u n ASP 238 Ca 0.00 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 2x4u n ASP 238 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2x4u n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x4u n GLY 239 N -0.46 0.52 3.96 6.12 0.00 -1.26 -5.07 105.19 109.01 2x4u n GLY 239 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2x4u n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4u s THR 240 N -2.21 2.46 0.24 2.61 -4.23 -1.26 -4.90 115.64 108.34 2x4u s THR 240 Ca 0.00 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2x4u s THR 240 Cb 0.00 -2.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 2x4u s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 2x4u s PHE 241 N -2.54 1.70 0.04 3.99 0.08 -0.01 -1.29 117.98 119.95 2x4u s PHE 241 Ca 0.52 -0.77 0.01 0.00 0.12 0.00 0.00 56.93 56.81 2x4u s PHE 241 Cb -0.06 -0.94 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 2x4u s PHE 241 CO 0.31 0.15 -0.06 -0.65 -0.10 0.00 0.00 175.22 174.87 2x4u s GLN 242 N -3.77 0.51 -0.11 0.44 -0.21 -0.04 -1.48 119.66 114.99 2x4u s GLN 242 Ca 0.27 -0.81 -0.27 0.00 0.02 0.00 0.00 55.36 54.56 2x4u s GLN 242 Cb 0.04 -0.13 0.07 0.00 1.00 0.00 0.00 33.01 33.98 2x4u s GLN 242 CO 0.09 0.00 0.65 0.21 -2.12 0.00 0.00 175.29 174.12 2x4u s LYS 243 N -1.96 0.95 0.05 2.91 2.20 -0.53 -1.48 119.74 121.88 2x4u s LYS 243 Ca -0.08 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2x4u s LYS 243 Cb -0.07 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2x4u s LYS 243 CO -0.01 -0.24 -0.05 1.67 -0.36 0.00 0.00 175.35 176.36 2x4u s TRP 244 N -0.70 0.58 -0.00 4.03 1.48 -1.26 -0.64 118.94 122.43 2x4u s TRP 244 Ca -0.08 -0.83 0.04 0.00 -1.06 0.00 0.00 56.10 54.18 2x4u s TRP 244 Cb -0.02 -0.38 -0.01 0.00 -1.16 0.00 0.00 33.47 31.90 2x4u s TRP 244 CO 0.07 -0.24 -0.13 0.00 -4.06 0.00 0.00 176.95 172.60 2x4u s ALA 245 N -2.93 1.04 0.03 2.67 0.00 -0.45 -2.88 121.76 119.25 2x4u s ALA 245 Ca 0.01 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2x4u s ALA 245 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2x4u s ALA 245 CO -0.05 0.24 -0.08 0.00 0.00 0.00 0.00 175.76 175.87 2x4u s ALA 246 N -0.39 0.64 0.05 0.00 0.00 -0.06 0.35 121.76 122.35 2x4u s ALA 246 Ca 0.04 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2x4u s ALA 246 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2x4u s ALA 246 CO -0.00 0.05 -0.14 0.14 0.00 0.00 0.00 175.76 175.81 2x4u s VAL 247 N -0.97 1.11 -0.29 0.00 -7.23 -0.37 -0.95 120.40 111.70 2x4u s VAL 247 Ca -0.05 -1.14 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 2x4u s VAL 247 Cb -0.08 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.81 2x4u s VAL 247 CO 0.00 -0.10 0.50 -0.69 -0.31 0.00 0.00 175.10 174.50 2x4u s VAL 248 N -1.05 5.06 -0.11 1.32 1.01 -1.26 -0.83 120.40 124.54 2x4u s VAL 248 Ca -0.00 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 2x4u s VAL 248 Cb -0.09 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2x4u s VAL 248 CO 0.02 -0.01 -0.06 -0.69 0.00 0.00 0.00 175.10 174.35 2x4u s VAL 249 N 2.31 3.69 0.15 2.92 1.01 0.80 -4.92 120.40 126.36 2x4u s VAL 249 Ca 0.19 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 2x4u s VAL 249 Cb -0.16 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.56 2x4u s VAL 249 CO 0.11 0.55 1.82 -2.65 0.00 0.00 0.00 175.10 174.92 2x4u n PRO 250 N 2.88 2.81 -1.65 2.72 -0.02 -1.26 -1.00 135.00 139.48 2x4u n PRO 250 Ca -0.18 1.02 -0.55 0.00 -2.02 0.00 0.00 63.50 61.77 2x4u n PRO 250 Cb 0.53 -2.91 -0.07 0.00 -0.02 0.00 0.00 33.50 31.03 2x4u n PRO 250 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2x4u n SER 251 N 5.24 2.00 0.00 2.55 7.64 -0.18 -1.20 113.62 129.68 2x4u n SER 251 Ca 0.17 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2x4u n SER 251 Cb 0.37 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2x4u n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x4u n GLY 252 N 3.35 1.34 1.06 0.23 0.00 -1.26 -4.89 105.19 105.02 2x4u n GLY 252 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2x4u n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x4u n GLN 253 N -1.18 3.06 -0.31 1.61 6.02 -0.34 -4.65 117.38 121.58 2x4u n GLN 253 Ca 0.00 -2.49 0.15 0.00 -0.01 0.00 0.00 57.00 54.65 2x4u n GLN 253 Cb 0.00 -1.56 0.39 0.00 1.02 0.00 0.00 30.24 30.09 2x4u n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2x4u h GLU 254 N 2.98 0.63 0.00 -1.09 3.07 -1.93 -0.81 114.58 117.44 2x4u h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2x4u h GLU 254 Cb 1.05 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 2x4u h GLU 254 CO 0.08 0.41 0.00 0.37 -1.40 0.00 0.00 179.01 178.48 2x4u h GLN 255 N 0.64 0.00 0.00 2.33 4.15 -1.83 -2.14 115.11 118.27 2x4u h GLN 255 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.96 2x4u h GLN 255 Cb 0.99 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.68 2x4u h GLN 255 CO -0.30 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.60 2x4u h ARG 256 N 0.00 0.00 -5.53 1.69 3.08 -1.50 -3.46 114.38 108.65 2x4u h ARG 256 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2x4u h ARG 256 Cb 0.33 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.28 2x4u h ARG 256 CO 0.00 0.00 -0.50 0.71 -1.07 0.00 0.00 179.97 179.11 2x4u s TYR 257 N -3.25 3.49 -0.02 3.04 2.02 -0.81 -1.34 117.35 120.49 2x4u s TYR 257 Ca 0.07 0.41 0.03 0.00 -0.37 0.00 0.00 57.07 57.21 2x4u s TYR 257 Cb 0.07 -2.00 -0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2x4u s TYR 257 CO 0.63 0.55 -0.10 0.95 -1.57 0.00 0.00 175.55 176.01 2x4u s THR 258 N -0.52 0.84 -0.20 -0.71 -4.23 -0.64 -4.24 115.64 105.94 2x4u s THR 258 Ca 0.12 -0.43 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 2x4u s THR 258 Cb -0.12 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 72.95 2x4u s THR 258 CO 0.02 0.25 0.14 0.00 -0.54 0.00 0.00 174.62 174.48 2x4u s HIS 260 N 0.41 3.00 -0.14 0.00 5.04 0.10 -0.20 115.29 123.50 2x4u s HIS 260 Ca 0.08 -0.52 0.02 0.00 -1.54 0.00 0.00 55.06 53.10 2x4u s HIS 260 Cb -0.11 -2.03 0.00 0.00 0.04 0.00 0.00 32.58 30.48 2x4u s HIS 260 CO -0.01 -0.24 -0.19 0.08 -2.34 0.00 0.00 174.74 172.03 2x4u s VAL 261 N 0.87 2.38 -0.12 0.89 1.01 0.10 -1.75 120.40 123.77 2x4u s VAL 261 Ca -0.00 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2x4u s VAL 261 Cb -0.14 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.28 2x4u s VAL 261 CO 0.02 0.54 -0.20 -1.10 0.00 0.00 0.00 175.10 174.36 2x4u s GLN 262 N 0.68 2.71 -0.01 2.72 -0.21 -0.40 -1.08 119.66 124.07 2x4u s GLN 262 Ca -0.09 -0.74 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 2x4u s GLN 262 Cb -0.16 -2.20 0.03 0.00 1.00 0.00 0.00 33.01 31.67 2x4u s GLN 262 CO 0.02 -0.01 0.33 -1.58 -2.12 0.00 0.00 175.29 171.93 2x4u s HIS 263 N 0.81 -0.21 0.45 0.91 2.46 -1.26 -1.35 115.29 117.11 2x4u s HIS 263 Ca -0.09 0.31 0.15 0.00 0.47 0.00 0.00 55.06 55.90 2x4u s HIS 263 Cb -0.16 0.12 1.08 0.00 -0.13 0.00 0.00 32.58 33.49 2x4u s HIS 263 CO -0.00 -0.41 2.01 1.49 -2.47 0.00 0.00 174.74 175.36 2x4u h GLU 264 N 3.78 0.32 0.00 2.88 4.81 -1.93 -2.12 114.58 122.32 2x4u h GLU 264 Ca -0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2x4u h GLU 264 Cb 1.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2x4u h GLU 264 CO 0.40 0.21 0.00 0.41 -0.73 0.00 0.00 179.01 179.30 2x4u n GLY 265 N -1.53 -1.25 3.84 1.92 0.00 -1.26 -4.77 105.19 102.13 2x4u n GLY 265 Ca 0.07 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2x4u n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4u s LEU 266 N -3.09 4.41 0.18 0.99 1.43 -0.80 -4.44 118.68 117.37 2x4u s LEU 266 Ca 0.10 0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 53.82 2x4u s LEU 266 Cb 0.14 -2.35 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2x4u s LEU 266 CO 0.40 0.34 1.65 -0.65 0.23 0.00 0.00 176.35 178.31 2x4u h PRO 267 N 5.04 1.07 -3.69 1.29 0.11 -1.86 -3.45 132.00 130.51 2x4u h PRO 267 Ca -0.52 -0.33 -0.13 0.00 0.11 0.00 0.00 66.00 65.13 2x4u h PRO 267 Cb 1.22 -0.10 -0.19 0.00 0.11 0.00 0.00 31.00 32.04 2x4u h PRO 267 CO 0.62 1.03 -0.51 0.15 -0.21 0.00 0.00 178.00 179.08 2x4u s LYS 268 N -5.07 0.55 0.32 1.05 1.02 -1.26 -5.14 119.74 111.21 2x4u s LYS 268 Ca -0.12 -0.61 -0.27 0.00 0.02 0.00 0.00 55.97 54.99 2x4u s LYS 268 Cb 0.14 0.22 -0.13 0.00 -0.52 0.00 0.00 37.83 37.53 2x4u s LYS 268 CO 0.85 -0.14 0.97 -0.35 -0.92 0.00 0.00 175.35 175.77 2x4u n PRO 269 N 1.03 1.28 -3.47 -1.68 -0.04 -1.26 -4.97 135.00 125.89 2x4u n PRO 269 Ca -0.20 0.45 -0.36 0.00 -0.04 0.00 0.00 63.50 63.35 2x4u n PRO 269 Cb 0.57 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 2x4u n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2x4u s LEU 270 N 0.39 4.39 -0.23 1.53 1.43 -0.24 -4.92 118.68 121.04 2x4u s LEU 270 Ca 0.60 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 2x4u s LEU 270 Cb -0.67 -2.97 0.05 0.00 0.03 0.00 0.00 46.19 42.64 2x4u s LEU 270 CO 0.59 0.20 -0.09 -0.89 0.23 0.00 0.00 176.35 176.39 2x4u s THR 271 N -1.32 1.78 -0.19 5.49 2.01 -1.26 -0.72 115.64 121.43 2x4u s THR 271 Ca 0.32 -1.27 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 2x4u s THR 271 Cb -0.15 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 2x4u s THR 271 CO 0.17 0.03 0.10 -0.76 -0.69 0.00 0.00 174.62 173.47 2x4u s LEU 272 N 1.30 4.03 -0.04 4.42 1.02 0.72 -4.94 118.68 125.20 2x4u s LEU 272 Ca -0.05 0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.31 2x4u s LEU 272 Cb -0.18 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.00 2x4u s LEU 272 CO -0.07 0.18 -0.16 0.00 0.02 0.00 0.00 176.35 176.33 2x4u s ARG 273 N 0.33 1.63 -0.60 1.70 1.70 -1.26 -0.55 118.95 121.90 2x4u s ARG 273 Ca 0.06 -0.55 -0.27 0.00 -0.47 0.00 0.00 55.73 54.50 2x4u s ARG 273 Cb -0.12 -1.43 -0.01 0.00 -0.57 0.00 0.00 34.95 32.82 2x4u s ARG 273 CO -0.01 0.22 1.72 -0.46 -1.08 0.00 0.00 175.30 175.69 2x4u s TRP 274 N 0.07 1.83 0.00 5.89 -0.11 -1.26 -5.08 118.94 120.28 2x4u s TRP 274 Ca -0.04 0.63 0.00 0.00 1.22 0.00 0.00 56.10 57.91 2x4u s TRP 274 Cb -0.11 -4.20 0.00 0.00 -1.50 0.00 0.00 33.47 27.66 2x4u s TRP 274 CO 0.02 -2.29 0.00 -1.91 -4.62 0.00 0.00 176.95 168.15