#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4r s SER 2 N 0.00 6.30 0.25 1.61 0.01 -1.26 -3.66 113.70 116.94 2x4r s SER 2 Ca 0.00 0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.77 2x4r s SER 2 Cb 0.00 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 2x4r s SER 2 CO 0.00 -0.30 0.15 -1.00 0.41 0.00 0.00 173.24 172.50 2x4r s HIS 3 N -2.32 1.38 0.06 2.43 0.09 -0.51 -4.99 115.29 111.43 2x4r s HIS 3 Ca 0.41 -1.39 -0.23 0.00 -0.00 0.00 0.00 55.06 53.85 2x4r s HIS 3 Cb -0.10 -0.69 0.05 0.00 -0.00 0.00 0.00 32.58 31.85 2x4r s HIS 3 CO 0.36 -0.61 0.53 -1.54 -0.00 0.00 0.00 174.74 173.49 2x4r s SER 4 N -3.25 -0.46 -0.09 1.40 1.04 -1.26 -1.01 113.70 110.06 2x4r s SER 4 Ca 0.38 0.17 0.02 0.00 0.48 0.00 0.00 55.95 57.01 2x4r s SER 4 Cb 0.06 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2x4r s SER 4 CO 0.15 -0.75 -0.16 -0.32 0.98 0.00 0.00 173.24 173.15 2x4r s MET 5 N -2.57 2.24 0.01 4.02 -2.45 -0.49 -1.15 119.30 118.90 2x4r s MET 5 Ca -0.05 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 53.82 2x4r s MET 5 Cb -0.01 -1.83 -0.01 0.00 1.25 0.00 0.00 34.83 34.23 2x4r s MET 5 CO -0.03 0.01 -0.04 1.03 1.05 0.00 0.00 175.02 177.04 2x4r s ARG 6 N 0.76 0.33 -0.07 4.11 0.52 -0.88 -1.26 118.95 122.46 2x4r s ARG 6 Ca -0.11 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.83 2x4r s ARG 6 Cb -0.16 -0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.08 2x4r s ARG 6 CO 0.02 0.05 -0.24 0.71 0.02 0.00 0.00 175.30 175.86 2x4r s TYR 7 N -0.53 2.42 -0.10 -0.53 2.02 -0.21 -0.77 117.35 119.65 2x4r s TYR 7 Ca -0.03 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 55.92 2x4r s TYR 7 Cb -0.04 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2x4r s TYR 7 CO -0.00 -0.26 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.47 2x4r s PHE 8 N -0.05 2.64 -0.07 2.71 0.08 -0.21 -2.12 117.98 120.95 2x4r s PHE 8 Ca -0.07 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.26 2x4r s PHE 8 Cb -0.14 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2x4r s PHE 8 CO 0.05 -0.24 -0.14 -0.06 -0.10 0.00 0.00 175.22 174.72 2x4r s PHE 9 N 0.13 1.65 -0.11 0.36 0.08 0.11 -1.40 117.98 118.80 2x4r s PHE 9 Ca -0.10 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.35 2x4r s PHE 9 Cb -0.16 -1.19 0.01 0.00 -0.57 0.00 0.00 43.02 41.11 2x4r s PHE 9 CO 0.06 -0.31 -0.20 0.99 -0.10 0.00 0.00 175.22 175.66 2x4r s THR 10 N 0.64 1.82 -0.25 0.64 2.01 -0.17 -0.99 115.64 119.34 2x4r s THR 10 Ca -0.15 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 2x4r s THR 10 Cb -0.16 -1.60 0.08 0.00 0.01 0.00 0.00 72.50 70.82 2x4r s THR 10 CO 0.04 0.51 0.03 -0.55 -0.69 0.00 0.00 174.62 173.96 2x4r s SER 11 N 0.62 3.68 -0.05 3.53 0.15 0.06 -0.73 113.70 120.96 2x4r s SER 11 Ca -0.13 -1.28 0.05 0.00 0.70 0.00 0.00 55.95 55.29 2x4r s SER 11 Cb -0.17 -0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 2x4r s SER 11 CO 0.04 -0.32 -0.19 -0.69 1.20 0.00 0.00 173.24 173.27 2x4r s VAL 12 N 1.58 2.60 0.16 4.45 1.01 0.04 -0.12 120.40 130.12 2x4r s VAL 12 Ca 0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2x4r s VAL 12 Cb -0.18 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 2x4r s VAL 12 CO -0.13 0.58 0.49 -0.94 0.00 0.00 0.00 175.10 175.10 2x4r s SER 13 N -0.51 6.67 -0.43 3.32 1.04 -0.63 0.22 113.70 123.39 2x4r s SER 13 Ca 0.07 0.90 0.10 0.00 0.48 0.00 0.00 55.95 57.49 2x4r s SER 13 Cb -0.11 -2.22 0.32 0.00 0.10 0.00 0.00 66.02 64.11 2x4r s SER 13 CO 0.01 0.05 0.73 0.54 0.98 0.00 0.00 173.24 175.55 2x4r n ARG 14 N 0.42 1.42 -0.95 4.02 1.74 -1.26 -4.20 116.66 117.84 2x4r n ARG 14 Ca -0.04 -3.69 -0.33 0.00 -0.77 0.00 0.00 57.85 53.02 2x4r n ARG 14 Cb 0.52 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 2x4r n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2x4r n PRO 15 N 0.43 0.00 -1.51 5.56 -0.01 -1.26 0.12 135.00 138.33 2x4r n PRO 15 Ca 0.26 0.00 -0.15 0.00 -0.01 0.00 0.00 63.50 63.59 2x4r n PRO 15 Cb 0.57 -0.73 -0.06 0.00 -0.01 0.00 0.00 33.50 33.27 2x4r n PRO 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2x4r n GLY 16 N 1.28 1.36 0.10 -1.23 0.00 -1.26 -4.74 105.19 100.70 2x4r n GLY 16 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 2x4r n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x4r n ARG 17 N -2.08 1.32 0.00 1.61 3.00 0.33 -5.12 116.66 115.73 2x4r n ARG 17 Ca -0.16 -1.38 0.00 0.00 -0.00 0.00 0.00 57.85 56.31 2x4r n ARG 17 Cb 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 32.09 2x4r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2x4r n GLY 18 N -0.49 0.83 3.95 5.14 0.00 -1.24 -4.95 105.19 108.43 2x4r n GLY 18 Ca 0.03 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 2x4r n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4r s GLU 19 N 0.00 2.38 0.49 1.61 0.41 -1.26 -4.74 118.70 117.59 2x4r s GLU 19 Ca 0.00 -0.56 -0.05 0.00 -0.41 0.00 0.00 54.97 53.95 2x4r s GLU 19 Cb 0.00 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.97 2x4r s GLU 19 CO 0.00 -0.95 0.80 -2.14 -0.49 0.00 0.00 175.26 172.48 2x4r s PRO 20 N -4.98 3.48 -0.17 0.39 0.02 -1.26 -4.54 135.00 127.94 2x4r s PRO 20 Ca 0.59 0.19 -0.29 0.00 0.02 0.00 0.00 61.00 61.50 2x4r s PRO 20 Cb -0.10 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 2x4r s PRO 20 CO 0.41 -0.26 1.52 1.03 -0.33 0.00 0.00 177.00 179.37 2x4r s ARG 21 N -4.77 4.00 -0.15 5.54 0.52 0.13 -4.86 118.95 119.36 2x4r s ARG 21 Ca 0.48 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 2x4r s ARG 21 Cb -0.10 -3.95 -0.00 0.00 0.52 0.00 0.00 34.95 31.41 2x4r s ARG 21 CO 0.45 -1.04 -0.16 0.12 0.02 0.00 0.00 175.30 174.70 2x4r s PHE 22 N 4.46 2.77 -0.09 -0.53 5.36 -1.26 -0.78 117.98 127.92 2x4r s PHE 22 Ca 0.67 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 2x4r s PHE 22 Cb -0.25 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2x4r s PHE 22 CO 0.26 -0.44 -0.09 0.42 -1.46 0.00 0.00 175.22 173.90 2x4r s ILE 23 N 0.74 1.04 -0.12 3.12 1.01 0.09 -1.35 121.20 125.72 2x4r s ILE 23 Ca -0.07 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2x4r s ILE 23 Cb -0.16 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.32 2x4r s ILE 23 CO 0.01 0.35 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 2x4r s ALA 24 N 1.21 2.12 -0.03 9.38 0.00 0.33 -0.99 121.76 133.77 2x4r s ALA 24 Ca -0.04 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.97 2x4r s ALA 24 Cb -0.14 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 2x4r s ALA 24 CO -0.03 0.07 -0.14 0.08 0.00 0.00 0.00 175.76 175.75 2x4r s VAL 25 N 0.68 1.14 -0.09 0.00 1.01 -0.50 0.20 120.40 122.84 2x4r s VAL 25 Ca -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2x4r s VAL 25 Cb -0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2x4r s VAL 25 CO 0.02 0.34 -0.20 -0.83 0.00 0.00 0.00 175.10 174.43 2x4r s GLY 26 N 0.05 1.41 0.11 4.51 0.00 -0.96 -1.04 107.32 111.40 2x4r s GLY 26 Ca -0.02 -0.97 0.10 0.00 0.00 0.00 0.00 44.72 43.83 2x4r s GLY 26 CO 0.01 -0.43 -0.26 -0.19 0.00 0.00 0.00 173.10 172.23 2x4r s TYR 27 N 0.07 2.25 -0.15 1.90 2.02 0.05 -0.74 117.35 122.75 2x4r s TYR 27 Ca -0.08 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 2x4r s TYR 27 Cb -0.15 -1.25 -0.00 0.00 -0.40 0.00 0.00 41.96 40.15 2x4r s TYR 27 CO 0.05 0.28 -0.15 0.08 -1.57 0.00 0.00 175.55 174.25 2x4r s VAL 28 N -1.01 2.72 0.00 0.71 1.01 0.13 -2.08 120.40 121.88 2x4r s VAL 28 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2x4r s VAL 28 Cb -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2x4r s VAL 28 CO 0.05 0.51 0.00 0.47 0.00 0.00 0.00 175.10 176.13 2x4r n ASP 29 N 3.99 0.00 -1.89 3.32 8.00 -0.30 -0.29 116.55 129.38 2x4r n ASP 29 Ca -0.19 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.32 2x4r n ASP 29 Cb 0.52 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.96 2x4r n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2x4r n ASP 30 N 3.35 5.15 -4.18 -2.24 8.00 -1.26 -4.88 116.55 120.49 2x4r n ASP 30 Ca 0.00 -3.01 -0.34 0.00 0.71 0.00 0.00 54.79 52.15 2x4r n ASP 30 Cb 0.00 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.24 2x4r n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4r s THR 31 N -2.76 2.48 0.20 -3.53 2.01 0.61 -5.01 115.64 109.64 2x4r s THR 31 Ca 0.52 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 2x4r s THR 31 Cb 0.41 -2.10 -0.08 0.00 0.01 0.00 0.00 72.50 70.74 2x4r s THR 31 CO 0.14 0.47 1.01 -1.58 -0.69 0.00 0.00 174.62 173.97 2x4r s GLN 32 N 1.34 4.72 0.00 4.92 0.74 -1.26 0.19 119.66 130.30 2x4r s GLN 32 Ca 0.05 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.04 2x4r s GLN 32 Cb -0.14 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.68 2x4r s GLN 32 CO -0.10 0.28 0.00 1.97 -0.55 0.00 0.00 175.29 176.89 2x4r n PHE 33 N 2.00 0.00 -4.03 1.67 -1.74 0.09 -4.01 117.46 111.44 2x4r n PHE 33 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.80 2x4r n PHE 33 Cb 0.47 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.39 2x4r n PHE 33 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2x4r s VAL 34 N -0.66 0.08 -0.11 1.97 1.01 -1.21 -0.88 120.40 120.60 2x4r s VAL 34 Ca 0.00 -1.58 -0.28 0.00 0.00 0.00 0.00 61.98 60.12 2x4r s VAL 34 Cb 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.52 2x4r s VAL 34 CO 0.00 -0.35 0.67 0.00 0.00 0.00 0.00 175.10 175.42 2x4r s ARG 35 N -4.00 0.97 -0.10 2.72 1.70 -0.82 -2.27 118.95 117.15 2x4r s ARG 35 Ca 0.20 0.45 0.02 0.00 -0.47 0.00 0.00 55.73 55.93 2x4r s ARG 35 Cb 0.05 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.90 2x4r s ARG 35 CO 0.01 -0.25 -0.16 0.12 -1.08 0.00 0.00 175.30 173.94 2x4r s PHE 36 N -0.73 1.94 -0.20 5.89 5.36 0.13 -0.82 117.98 129.55 2x4r s PHE 36 Ca -0.08 -0.87 0.01 0.00 -0.96 0.00 0.00 56.93 55.03 2x4r s PHE 36 Cb -0.02 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 41.31 2x4r s PHE 36 CO 0.07 -0.44 -0.14 0.34 -1.46 0.00 0.00 175.22 173.59 2x4r s ASP 37 N 0.87 3.41 0.58 6.13 -1.08 -1.26 -0.51 116.67 124.81 2x4r s ASP 37 Ca -0.09 -0.85 0.28 0.00 -0.52 0.00 0.00 52.55 51.37 2x4r s ASP 37 Cb -0.15 -1.37 1.53 0.00 -1.46 0.00 0.00 42.92 41.47 2x4r s ASP 37 CO 0.00 -0.09 1.97 0.77 0.52 0.00 0.00 175.17 178.34 2x4r h SER 38 N 7.93 0.00 0.74 -0.34 4.64 -1.60 -0.20 113.55 124.73 2x4r h SER 38 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2x4r h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2x4r h SER 38 CO 0.53 0.00 -0.68 0.47 -0.87 0.00 0.00 176.83 176.29 2x4r n ASP 39 N -3.79 0.65 -4.71 4.97 9.92 -1.26 -4.90 116.55 117.44 2x4r n ASP 39 Ca 0.06 0.01 -0.31 0.00 -0.53 0.00 0.00 54.79 54.03 2x4r n ASP 39 Cb 0.55 0.28 0.14 0.00 -0.64 0.00 0.00 41.12 41.45 2x4r n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x4r s ALA 40 N -3.15 1.68 -0.44 2.24 0.00 -0.09 -4.95 121.76 117.05 2x4r s ALA 40 Ca 0.06 0.34 0.23 0.00 0.00 0.00 0.00 51.96 52.60 2x4r s ALA 40 Cb 0.14 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 20.16 2x4r s ALA 40 CO 0.73 -2.38 1.30 0.00 0.00 0.00 0.00 175.76 175.40 2x4r h ALA 41 N -1.59 0.66 0.00 0.00 0.00 -1.90 -3.34 119.26 113.10 2x4r h ALA 41 Ca -0.45 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2x4r h ALA 41 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2x4r h ALA 41 CO 0.47 0.00 -0.69 0.66 0.00 0.00 0.00 179.25 179.70 2x4r h SER 42 N 0.00 0.00 -1.54 0.00 4.64 -1.92 -3.47 113.55 111.26 2x4r h SER 42 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2x4r h SER 42 Cb 0.90 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.87 2x4r h SER 42 CO 0.00 0.69 -0.41 1.67 -0.87 0.00 0.00 176.83 177.91 2x4r n GLN 43 N -3.46 -1.51 -4.64 4.77 7.27 -1.26 -4.95 117.38 113.60 2x4r n GLN 43 Ca 0.00 1.14 -0.29 0.00 0.07 0.00 0.00 57.00 57.92 2x4r n GLN 43 Cb 0.74 -5.58 -0.08 0.00 2.41 0.00 0.00 30.24 27.72 2x4r n GLN 43 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2x4r s ARG 44 N -4.03 2.03 -0.25 3.69 0.52 -1.26 -5.04 118.95 114.61 2x4r s ARG 44 Ca 0.00 -2.25 -0.19 0.00 -0.52 0.00 0.00 55.73 52.77 2x4r s ARG 44 Cb 0.00 -1.20 -0.02 0.00 0.52 0.00 0.00 34.95 34.25 2x4r s ARG 44 CO 0.00 -0.34 0.59 1.41 0.02 0.00 0.00 175.30 176.98 2x4r s MET 45 N -3.81 4.10 0.24 3.54 -2.45 -1.26 -4.64 119.30 115.02 2x4r s MET 45 Ca 0.18 0.47 0.06 0.00 -1.25 0.00 0.00 55.69 55.15 2x4r s MET 45 Cb 0.04 -3.65 -0.03 0.00 1.25 0.00 0.00 34.83 32.44 2x4r s MET 45 CO 0.10 -0.38 0.26 -1.21 1.05 0.00 0.00 175.02 174.83 2x4r s GLU 46 N 2.39 3.14 -0.13 4.11 0.41 -0.01 -4.89 118.70 123.72 2x4r s GLU 46 Ca 0.24 -0.91 -0.18 0.00 -0.41 0.00 0.00 54.97 53.71 2x4r s GLU 46 Cb -0.16 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 2x4r s GLU 46 CO 0.09 0.42 0.48 -1.25 -0.49 0.00 0.00 175.26 174.51 2x4r s PRO 47 N -3.81 4.32 -0.01 0.39 0.04 -1.26 -1.94 135.00 132.73 2x4r s PRO 47 Ca 0.33 0.44 0.17 0.00 0.04 0.00 0.00 61.00 61.98 2x4r s PRO 47 Cb -0.09 -3.45 -0.23 0.00 0.04 0.00 0.00 34.50 30.77 2x4r s PRO 47 CO 0.26 0.12 0.53 0.54 0.04 0.00 0.00 177.00 178.49 2x4r n ARG 48 N 3.81 0.95 -4.39 4.56 5.12 -0.06 -4.92 116.66 121.73 2x4r n ARG 48 Ca -0.07 -0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.48 2x4r n ARG 48 Cb 0.51 -1.35 -0.13 0.00 -1.16 0.00 0.00 32.46 30.33 2x4r n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x4r s ALA 49 N -2.92 2.37 0.13 7.54 0.00 -1.21 -4.82 121.76 122.86 2x4r s ALA 49 Ca -0.01 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.31 2x4r s ALA 49 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2x4r s ALA 49 CO 0.70 0.52 1.74 -1.35 0.00 0.00 0.00 175.76 177.38 2x4r h PRO 50 N 3.83 0.48 0.00 0.00 0.11 -1.93 -3.18 132.00 131.31 2x4r h PRO 50 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2x4r h PRO 50 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2x4r h PRO 50 CO 0.40 0.39 0.00 -2.67 -0.21 0.00 0.00 178.00 175.91 2x4r n TRP 51 N -4.79 0.00 0.63 0.65 4.27 -1.26 -1.40 117.44 115.54 2x4r n TRP 51 Ca -0.01 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.67 2x4r n TRP 51 Cb 0.07 -0.21 -0.01 0.00 -1.36 0.00 0.00 31.31 29.80 2x4r n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2x4r n ILE 52 N -1.21 0.00 0.19 -1.67 0.13 -1.20 -4.58 119.36 111.02 2x4r n ILE 52 Ca 0.08 -0.33 0.07 0.00 -1.10 0.00 0.00 62.75 61.47 2x4r n ILE 52 Cb 0.10 1.14 0.30 0.00 -0.84 0.00 0.00 39.64 40.34 2x4r n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2x4r h GLU 53 N 1.35 0.00 -0.88 9.51 5.08 -1.31 -3.15 114.58 125.18 2x4r h GLU 53 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2x4r h GLU 53 Cb 0.46 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.40 2x4r h GLU 53 CO 0.00 0.33 0.40 1.04 -1.00 0.00 0.00 179.01 179.78 2x4r n GLN 54 N -3.36 2.74 -0.07 2.33 1.13 -1.26 -4.66 117.38 114.23 2x4r n GLN 54 Ca 0.01 -3.43 -0.15 0.00 -1.94 0.00 0.00 57.00 51.49 2x4r n GLN 54 Cb 0.54 -2.23 -0.13 0.00 0.11 0.00 0.00 30.24 28.53 2x4r n GLN 54 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2x4r h GLU 55 N 1.80 0.02 0.00 -1.09 4.57 -1.87 -3.51 114.58 114.51 2x4r h GLU 55 Ca 0.53 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 2x4r h GLU 55 Cb 1.33 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 2x4r h GLU 55 CO 1.24 1.02 0.00 0.41 -1.18 0.00 0.00 179.01 180.50 2x4r n GLY 56 N 1.60 4.15 0.33 1.92 0.00 -1.26 -4.80 105.19 107.12 2x4r n GLY 56 Ca -0.13 -1.49 0.02 0.00 0.00 0.00 0.00 46.02 44.42 2x4r n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x4r h PRO 57 N 0.00 0.78 -0.26 1.61 0.11 -1.98 -0.56 132.00 131.69 2x4r h PRO 57 Ca 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2x4r h PRO 57 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2x4r h PRO 57 CO 0.00 0.54 0.15 1.49 -0.21 0.00 0.00 178.00 179.97 2x4r h GLU 58 N 0.80 0.37 -0.20 1.05 4.81 -1.99 0.14 114.58 119.55 2x4r h GLU 58 Ca 0.21 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2x4r h GLU 58 Cb -0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2x4r h GLU 58 CO -0.04 0.32 0.10 -0.92 -0.73 0.00 0.00 179.01 177.74 2x4r h TYR 59 N 0.32 0.29 -0.63 0.92 3.20 -1.60 0.03 116.97 119.50 2x4r h TYR 59 Ca 0.09 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 2x4r h TYR 59 Cb 0.06 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2x4r h TYR 59 CO -0.03 0.29 0.03 -1.49 -1.64 0.00 0.00 178.16 175.31 2x4r h TRP 60 N 0.21 1.19 -0.41 -3.82 4.06 -0.92 0.30 115.95 116.56 2x4r h TRP 60 Ca 0.07 -0.20 -0.08 0.00 2.06 0.00 0.00 58.89 60.75 2x4r h TRP 60 Cb 0.10 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 2x4r h TRP 60 CO -0.03 1.03 -0.04 -0.44 -3.56 0.00 0.00 178.44 175.40 2x4r h ASP 61 N 1.00 0.75 -0.09 -3.49 3.32 -0.67 -0.98 116.42 116.27 2x4r h ASP 61 Ca 0.18 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2x4r h ASP 61 Cb 0.54 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2x4r h ASP 61 CO 0.03 0.91 0.05 1.23 -1.72 0.00 0.00 179.24 179.73 2x4r h GLY 62 N 0.58 0.13 1.54 2.75 0.00 -0.75 -1.28 103.07 106.03 2x4r h GLY 62 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 2x4r h GLY 62 CO 0.03 0.05 -0.12 0.83 0.00 0.00 0.00 176.54 177.33 2x4r h GLU 63 N 0.07 0.56 -0.74 4.80 4.39 -0.93 -2.16 114.58 120.56 2x4r h GLU 63 Ca 0.03 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2x4r h GLU 63 Cb 0.05 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2x4r h GLU 63 CO -0.01 0.67 0.30 1.15 -1.16 0.00 0.00 179.01 179.96 2x4r h THR 64 N 0.51 1.25 -0.00 1.13 2.02 -0.93 -0.63 112.91 116.26 2x4r h THR 64 Ca 0.09 -0.79 -0.18 0.00 0.77 0.00 0.00 66.41 66.31 2x4r h THR 64 Cb 0.51 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2x4r h THR 64 CO 0.03 0.32 -0.83 -0.09 0.37 0.00 0.00 175.52 175.32 2x4r h ARG 65 N 1.08 0.12 -0.01 6.66 2.43 -0.90 -2.31 114.38 121.45 2x4r h ARG 65 Ca 0.25 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2x4r h ARG 65 Cb 0.20 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2x4r h ARG 65 CO -0.02 0.88 -0.11 0.87 -1.51 0.00 0.00 179.97 180.07 2x4r h LYS 66 N 0.07 0.09 0.00 0.20 1.57 -1.30 -2.85 116.57 114.34 2x4r h LYS 66 Ca -0.03 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2x4r h LYS 66 Cb 1.44 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 2x4r h LYS 66 CO 0.12 0.82 -0.02 -0.24 -0.57 0.00 0.00 179.45 179.55 2x4r h VAL 67 N -0.61 0.29 -0.08 0.50 3.04 -1.16 0.12 116.25 118.35 2x4r h VAL 67 Ca -0.01 -0.13 -0.13 0.00 -1.01 0.00 0.00 66.70 65.42 2x4r h VAL 67 Cb 0.85 1.10 0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2x4r h VAL 67 CO 0.02 0.02 -0.44 0.11 -1.01 0.00 0.00 177.57 176.27 2x4r h LYS 68 N 0.00 0.44 -0.01 4.17 1.57 -1.46 -2.70 116.57 118.58 2x4r h LYS 68 Ca -0.00 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 2x4r h LYS 68 Cb 0.10 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2x4r h LYS 68 CO 0.00 1.01 -0.31 0.00 -0.57 0.00 0.00 179.45 179.58 2x4r h ALA 69 N 0.44 1.47 -0.19 3.86 0.00 -0.80 -1.75 119.26 122.29 2x4r h ALA 69 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2x4r h ALA 69 Cb 1.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2x4r h ALA 69 CO 0.09 0.39 0.09 0.45 0.00 0.00 0.00 179.25 180.28 2x4r h HIS 70 N 0.02 0.27 -0.35 0.00 3.86 -0.87 -2.26 115.15 115.82 2x4r h HIS 70 Ca 0.00 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 2x4r h HIS 70 Cb 0.55 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.87 2x4r h HIS 70 CO 0.00 0.27 -0.09 1.03 0.86 0.00 0.00 177.93 180.01 2x4r h SER 71 N 0.18 -0.32 -0.10 2.45 0.87 -1.04 -1.79 113.55 113.80 2x4r h SER 71 Ca 0.06 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2x4r h SER 71 Cb 0.10 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 2x4r h SER 71 CO -0.01 -0.11 -0.30 1.56 -0.53 0.00 0.00 176.83 177.43 2x4r h GLN 72 N 0.00 -0.38 -0.79 2.24 1.08 -1.15 0.19 115.11 116.29 2x4r h GLN 72 Ca 0.17 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.45 2x4r h GLN 72 Cb 0.25 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 2x4r h GLN 72 CO -0.36 -0.25 0.52 1.15 -0.95 0.00 0.00 178.83 178.94 2x4r h THR 73 N -0.40 1.06 0.00 -0.54 2.02 -0.99 -0.17 112.91 113.89 2x4r h THR 73 Ca 0.09 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 2x4r h THR 73 Cb 0.53 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2x4r h THR 73 CO -0.32 0.16 -0.62 0.45 0.37 0.00 0.00 175.52 175.55 2x4r h HIS 74 N 0.89 0.00 -0.50 3.16 3.86 -0.67 -0.99 115.15 120.91 2x4r h HIS 74 Ca 0.34 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.45 2x4r h HIS 74 Cb 0.19 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2x4r h HIS 74 CO -0.00 0.62 -0.08 -0.09 0.86 0.00 0.00 177.93 179.25 2x4r h ARG 75 N 0.00 0.93 -0.28 2.45 2.43 0.42 -2.61 114.38 117.72 2x4r h ARG 75 Ca -0.01 -0.33 -0.14 0.00 -0.81 0.00 0.00 59.98 58.69 2x4r h ARG 75 Cb 1.43 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2x4r h ARG 75 CO 0.08 0.99 -0.38 0.28 -1.51 0.00 0.00 179.97 179.43 2x4r h VAL 76 N 0.78 1.29 -0.26 0.20 2.07 -0.96 -3.26 116.25 116.12 2x4r h VAL 76 Ca 0.13 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 2x4r h VAL 76 Cb 0.62 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2x4r h VAL 76 CO 0.04 0.49 -0.28 0.44 0.02 0.00 0.00 177.57 178.28 2x4r h ASP 77 N 0.54 0.52 -0.52 0.57 3.32 -1.04 -2.57 116.42 117.23 2x4r h ASP 77 Ca 0.05 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2x4r h ASP 77 Cb 0.90 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 2x4r h ASP 77 CO 0.08 0.79 0.33 -0.07 -1.72 0.00 0.00 179.24 178.65 2x4r h LEU 78 N 0.45 0.61 -0.01 1.55 3.38 -1.51 0.13 115.31 119.91 2x4r h LEU 78 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2x4r h LEU 78 Cb 0.72 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2x4r h LEU 78 CO 0.06 0.46 -0.03 1.23 0.09 0.00 0.00 178.44 180.25 2x4r h GLY 79 N 0.74 0.05 1.05 0.83 0.00 -1.63 -2.66 103.07 101.45 2x4r h GLY 79 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.49 2x4r h GLY 79 CO -0.04 0.05 0.59 -0.84 0.00 0.00 0.00 176.54 176.30 2x4r h THR 80 N -0.50 1.19 -0.04 4.70 2.02 -1.14 -1.49 112.91 117.65 2x4r h THR 80 Ca 0.00 -0.40 -0.15 0.00 0.77 0.00 0.00 66.41 66.63 2x4r h THR 80 Cb 0.59 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2x4r h THR 80 CO 0.01 0.21 -0.67 -0.07 0.37 0.00 0.00 175.52 175.37 2x4r h LEU 81 N 1.17 0.20 -1.06 2.58 3.38 -0.81 0.84 115.31 121.60 2x4r h LEU 81 Ca 0.34 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2x4r h LEU 81 Cb -0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2x4r h LEU 81 CO -0.09 0.81 -0.41 -0.09 0.09 0.00 0.00 178.44 178.74 2x4r h ARG 82 N 0.12 0.00 0.06 1.13 2.43 -1.09 -2.52 114.38 114.51 2x4r h ARG 82 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2x4r h ARG 82 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2x4r h ARG 82 CO 0.10 0.41 -0.03 0.78 -1.51 0.00 0.00 179.97 179.72 2x4r h GLY 83 N 1.66 -0.08 1.10 2.80 0.00 -0.76 -0.13 103.07 107.65 2x4r h GLY 83 Ca -0.00 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.43 2x4r h GLY 83 CO 0.05 -0.03 0.43 -0.97 0.00 0.00 0.00 176.54 176.02 2x4r h TYR 84 N -0.81 0.63 0.00 5.60 -1.99 -0.83 -2.62 116.97 116.96 2x4r h TYR 84 Ca -0.01 0.02 -0.24 0.00 2.00 0.00 0.00 58.73 60.50 2x4r h TYR 84 Cb 0.63 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.11 2x4r h TYR 84 CO 0.14 0.33 -1.76 0.66 -0.00 0.00 0.00 178.16 177.53 2x4r n TYR 85 N -4.48 0.71 -1.75 4.88 4.02 -0.95 -4.87 117.16 114.72 2x4r n TYR 85 Ca 0.10 0.24 -0.01 0.00 -0.01 0.00 0.00 57.90 58.22 2x4r n TYR 85 Cb 0.25 -1.06 0.01 0.00 -0.02 0.00 0.00 39.34 38.52 2x4r n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x4r n ASN 86 N -2.87 -2.79 -4.65 7.72 5.15 -0.14 -5.08 115.26 112.61 2x4r n ASN 86 Ca -0.17 -0.06 -0.24 0.00 -0.60 0.00 0.00 54.58 53.52 2x4r n ASN 86 Cb 0.96 -1.43 -0.08 0.00 -0.53 0.00 0.00 39.78 38.71 2x4r n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2x4r s GLN 87 N -3.11 2.19 0.60 1.20 -1.52 -0.74 -5.05 119.66 113.24 2x4r s GLN 87 Ca 0.03 -1.61 -0.19 0.00 -1.95 0.00 0.00 55.36 51.64 2x4r s GLN 87 Cb -0.00 -2.04 -0.03 0.00 -0.22 0.00 0.00 33.01 30.71 2x4r s GLN 87 CO 0.11 0.19 1.26 -1.54 -0.25 0.00 0.00 175.29 175.06 2x4r s SER 88 N -3.73 5.01 0.05 5.90 1.04 -1.26 -4.92 113.70 115.79 2x4r s SER 88 Ca 0.34 2.52 0.26 0.00 0.48 0.00 0.00 55.95 59.56 2x4r s SER 88 Cb -0.03 -2.61 0.78 0.00 0.10 0.00 0.00 66.02 64.26 2x4r s SER 88 CO 0.20 -1.72 1.63 -1.84 0.98 0.00 0.00 173.24 172.49 2x4r n GLU 89 N -1.60 0.09 0.06 4.02 0.28 -1.26 -3.44 120.64 118.78 2x4r n GLU 89 Ca 0.14 0.04 0.13 0.00 -0.16 0.00 0.00 57.16 57.31 2x4r n GLU 89 Cb 0.48 -1.57 0.34 0.00 1.43 0.00 0.00 31.44 32.12 2x4r n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x4r n ALA 90 N -1.59 2.66 -2.54 -1.84 0.00 -1.26 -4.71 120.51 111.22 2x4r n ALA 90 Ca 0.06 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 2x4r n ALA 90 Cb 0.37 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 2x4r n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x4r s GLY 91 N -3.44 2.34 -0.15 0.00 0.00 -1.22 -4.74 107.32 100.10 2x4r s GLY 91 Ca 0.10 -0.36 -0.19 0.00 0.00 0.00 0.00 44.72 44.27 2x4r s GLY 91 CO 0.64 -0.15 0.51 -0.45 0.00 0.00 0.00 173.10 173.64 2x4r s SER 92 N -1.89 6.65 0.21 1.64 0.15 -1.26 -4.66 113.70 114.53 2x4r s SER 92 Ca 0.36 0.77 0.09 0.00 0.70 0.00 0.00 55.95 57.87 2x4r s SER 92 Cb -0.14 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 2x4r s SER 92 CO 0.19 -0.08 -0.16 -1.00 1.20 0.00 0.00 173.24 173.39 2x4r s HIS 93 N 1.07 1.83 -0.06 3.44 3.76 -1.26 -4.92 115.29 119.15 2x4r s HIS 93 Ca 0.26 -0.50 0.06 0.00 -0.15 0.00 0.00 55.06 54.72 2x4r s HIS 93 Cb -0.15 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 2x4r s HIS 93 CO 0.10 0.41 -0.24 0.99 -0.85 0.00 0.00 174.74 175.15 2x4r s THR 94 N -2.65 2.17 -0.04 1.30 2.01 -1.26 -1.61 115.64 115.56 2x4r s THR 94 Ca 0.22 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2x4r s THR 94 Cb -0.03 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 2x4r s THR 94 CO 0.08 0.57 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.65 2x4r s VAL 95 N -0.17 1.92 0.05 3.82 1.01 0.83 -0.37 120.40 127.49 2x4r s VAL 95 Ca -0.03 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.03 2x4r s VAL 95 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2x4r s VAL 95 CO 0.04 0.54 -0.24 -1.10 0.00 0.00 0.00 175.10 174.33 2x4r s GLN 96 N -0.31 1.83 -0.01 2.72 -1.52 -0.60 -0.76 119.66 121.02 2x4r s GLN 96 Ca 0.02 -1.10 -0.00 0.00 -1.95 0.00 0.00 55.36 52.32 2x4r s GLN 96 Cb -0.12 -2.03 0.01 0.00 -0.22 0.00 0.00 33.01 30.65 2x4r s GLN 96 CO 0.02 0.51 0.02 0.50 -0.25 0.00 0.00 175.29 176.09 2x4r s ARG 97 N -1.40 0.01 -0.07 2.91 3.52 -0.16 -1.78 118.95 121.98 2x4r s ARG 97 Ca 0.13 0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.77 2x4r s ARG 97 Cb -0.10 -0.06 0.04 0.00 -1.56 0.00 0.00 34.95 33.27 2x4r s ARG 97 CO 0.03 -0.05 0.12 1.41 -0.81 0.00 0.00 175.30 176.01 2x4r s MET 98 N 0.30 -0.01 0.32 5.12 1.75 -1.09 0.08 119.30 125.77 2x4r s MET 98 Ca -0.02 0.49 0.05 0.00 -1.25 0.00 0.00 55.69 54.95 2x4r s MET 98 Cb -0.04 -0.37 -0.06 0.00 2.84 0.00 0.00 34.83 37.20 2x4r s MET 98 CO -0.01 -0.32 0.03 1.52 -0.65 0.00 0.00 175.02 175.59 2x4r s TYR 99 N 2.24 2.00 -4.14 4.11 -0.85 -0.90 0.07 117.35 119.87 2x4r s TYR 99 Ca 0.04 -0.87 0.00 0.00 -0.52 0.00 0.00 57.07 55.72 2x4r s TYR 99 Cb -0.12 -1.28 0.00 0.00 0.38 0.00 0.00 41.96 40.94 2x4r s TYR 99 CO -0.05 0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.50 2x4r n GLY 100 N -0.68 -1.77 3.05 5.49 0.00 -0.72 -1.04 105.19 109.52 2x4r n GLY 100 Ca -0.03 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 2x4r n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4r s ASP 102 N -2.20 3.07 0.07 0.00 1.01 0.21 -1.40 116.67 117.43 2x4r s ASP 102 Ca -0.04 -0.65 0.05 0.00 0.71 0.00 0.00 52.55 52.63 2x4r s ASP 102 Cb -0.01 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 2x4r s ASP 102 CO -0.05 0.20 -0.14 0.68 0.21 0.00 0.00 175.17 176.07 2x4r s VAL 103 N -0.92 1.10 0.00 -1.27 -7.23 -0.18 -0.42 120.40 111.48 2x4r s VAL 103 Ca 0.11 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2x4r s VAL 103 Cb -0.10 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.78 2x4r s VAL 103 CO 0.04 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2x4r n GLY 104 N 1.32 -0.65 0.25 2.32 0.00 -1.00 -1.43 105.19 106.01 2x4r n GLY 104 Ca -0.21 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.22 2x4r n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2x4r h SER 105 N 0.00 0.00 1.32 1.61 0.02 -1.92 -2.29 113.55 112.30 2x4r h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2x4r h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2x4r h SER 105 CO 0.00 0.07 0.00 -2.24 -1.14 0.00 0.00 176.83 173.52 2x4r h ASP 106 N 0.00 0.00 -0.24 3.07 2.03 -1.91 -3.47 116.42 115.90 2x4r h ASP 106 Ca -0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.21 2x4r h ASP 106 Cb 0.13 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.60 2x4r h ASP 106 CO 0.01 0.00 -0.08 0.79 -1.03 0.00 0.00 179.24 178.93 2x4r n TRP 107 N -2.42 -0.02 -3.88 4.15 7.02 -0.86 -5.05 117.44 116.38 2x4r n TRP 107 Ca 0.04 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.31 2x4r n TRP 107 Cb 0.38 -1.14 -0.02 0.00 -2.42 0.00 0.00 31.31 28.11 2x4r n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2x4r s ARG 108 N -2.53 3.17 0.30 -0.99 0.52 -1.26 -4.89 118.95 113.27 2x4r s ARG 108 Ca 0.00 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 53.98 2x4r s ARG 108 Cb 0.00 -2.75 -0.13 0.00 0.52 0.00 0.00 34.95 32.59 2x4r s ARG 108 CO 0.00 0.31 1.27 0.34 0.02 0.00 0.00 175.30 177.24 2x4r n PHE 109 N -1.40 2.08 0.00 -0.53 7.35 -1.26 -2.37 117.46 121.33 2x4r n PHE 109 Ca -0.06 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 2x4r n PHE 109 Cb 0.58 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 38.01 2x4r n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2x4r n LEU 110 N 1.22 1.54 -3.63 -2.13 7.94 0.44 -4.73 117.00 117.65 2x4r n LEU 110 Ca 0.07 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.90 2x4r n LEU 110 Cb 0.34 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.23 2x4r n LEU 110 CO 0.62 0.22 0.86 0.00 -1.11 0.00 0.00 177.39 177.98 2x4r s ARG 111 N -1.87 0.41 0.33 1.96 1.70 -0.99 -4.97 118.95 115.52 2x4r s ARG 111 Ca 0.00 0.36 0.10 0.00 -0.47 0.00 0.00 55.73 55.71 2x4r s ARG 111 Cb 0.00 0.20 -0.06 0.00 -0.57 0.00 0.00 34.95 34.52 2x4r s ARG 111 CO 0.00 -0.08 -0.06 0.20 -1.08 0.00 0.00 175.30 174.28 2x4r s GLY 112 N -0.19 2.06 -0.10 3.88 0.00 -1.26 0.66 107.32 112.37 2x4r s GLY 112 Ca 0.03 -1.98 -0.31 0.00 0.00 0.00 0.00 44.72 42.47 2x4r s GLY 112 CO -0.06 -1.95 0.82 -2.52 0.00 0.00 0.00 173.10 169.38 2x4r s TYR 113 N -2.54 -0.54 -0.18 1.90 -0.85 -0.63 -4.89 117.35 109.63 2x4r s TYR 113 Ca 0.33 0.92 -0.04 0.00 -0.52 0.00 0.00 57.07 57.76 2x4r s TYR 113 Cb -0.00 0.43 0.08 0.00 0.38 0.00 0.00 41.96 42.85 2x4r s TYR 113 CO 0.18 -0.49 0.24 -1.58 -1.52 0.00 0.00 175.55 172.37 2x4r s HIS 114 N -1.14 -0.35 0.32 -3.49 2.46 -1.26 -1.75 115.29 110.08 2x4r s HIS 114 Ca -0.07 0.50 0.09 0.00 0.47 0.00 0.00 55.06 56.04 2x4r s HIS 114 Cb -0.00 -0.24 -0.04 0.00 -0.13 0.00 0.00 32.58 32.17 2x4r s HIS 114 CO 0.06 -0.52 0.10 -0.65 -2.47 0.00 0.00 174.74 171.27 2x4r s GLN 115 N 2.36 2.35 -0.28 2.88 -1.52 0.11 -1.01 119.66 124.55 2x4r s GLN 115 Ca 0.06 -1.52 -0.18 0.00 -1.95 0.00 0.00 55.36 51.77 2x4r s GLN 115 Cb -0.14 -2.17 0.11 0.00 -0.22 0.00 0.00 33.01 30.59 2x4r s GLN 115 CO -0.11 0.18 0.83 -0.47 -0.25 0.00 0.00 175.29 175.46 2x4r s TYR 116 N -2.40 -0.81 0.03 0.91 5.04 -0.96 -2.67 117.35 116.49 2x4r s TYR 116 Ca 0.36 1.67 0.04 0.00 -2.44 0.00 0.00 57.07 56.70 2x4r s TYR 116 Cb -0.03 0.47 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 2x4r s TYR 116 CO 0.22 -0.40 -0.12 0.00 -1.34 0.00 0.00 175.55 173.91 2x4r s ALA 117 N 1.27 0.97 -0.20 3.97 0.00 -0.74 -0.88 121.76 126.16 2x4r s ALA 117 Ca -0.07 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2x4r s ALA 117 Cb -0.05 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2x4r s ALA 117 CO -0.15 0.18 -0.17 -0.47 0.00 0.00 0.00 175.76 175.15 2x4r s TYR 118 N -0.75 2.83 -1.42 0.00 5.04 0.25 -1.56 117.35 121.75 2x4r s TYR 118 Ca 0.00 -1.77 -0.09 0.00 -2.44 0.00 0.00 57.07 52.77 2x4r s TYR 118 Cb -0.07 -1.89 0.04 0.00 0.35 0.00 0.00 41.96 40.39 2x4r s TYR 118 CO 0.01 -0.81 1.03 -0.25 -1.34 0.00 0.00 175.55 174.18 2x4r n ASP 119 N 4.59 -4.74 0.00 4.32 8.00 0.50 -2.90 116.55 126.32 2x4r n ASP 119 Ca -0.19 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2x4r n ASP 119 Cb 0.48 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 2x4r n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4r n GLY 120 N -1.75 0.88 3.53 0.44 0.00 -1.26 -5.01 105.19 102.02 2x4r n GLY 120 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2x4r n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4r s LYS 121 N -0.30 2.10 0.16 1.61 1.02 -1.14 -5.08 119.74 118.12 2x4r s LYS 121 Ca 0.00 -1.00 -0.34 0.00 0.02 0.00 0.00 55.97 54.65 2x4r s LYS 121 Cb 0.00 -2.27 -0.15 0.00 -0.52 0.00 0.00 37.83 34.90 2x4r s LYS 121 CO 0.00 0.52 1.39 -0.25 -0.92 0.00 0.00 175.35 176.09 2x4r n ASP 122 N 1.04 2.30 -0.01 2.83 8.00 -1.26 -0.58 116.55 128.86 2x4r n ASP 122 Ca -0.15 1.12 -0.04 0.00 0.71 0.00 0.00 54.79 56.43 2x4r n ASP 122 Cb 0.52 -1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.29 2x4r n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4r n TYR 123 N 2.42 0.00 -3.73 1.24 9.36 -0.06 -4.69 117.16 121.70 2x4r n TYR 123 Ca 0.16 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.24 2x4r n TYR 123 Cb 0.26 -0.21 -0.08 0.00 -0.63 0.00 0.00 39.34 38.68 2x4r n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2x4r s ILE 124 N -2.31 0.06 -0.07 2.97 2.07 -1.12 -2.33 121.20 120.47 2x4r s ILE 124 Ca -0.12 -0.49 -0.05 0.00 -1.41 0.00 0.00 60.65 58.58 2x4r s ILE 124 Cb 0.02 -0.75 0.02 0.00 0.13 0.00 0.00 42.46 41.88 2x4r s ILE 124 CO 0.18 -0.27 0.17 0.00 -1.91 0.00 0.00 174.94 173.11 2x4r s ALA 125 N -1.72 -0.39 -0.09 1.50 0.00 -1.02 -2.26 121.76 117.79 2x4r s ALA 125 Ca -0.11 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 2x4r s ALA 125 Cb -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2x4r s ALA 125 CO 0.02 -0.11 1.50 -1.17 0.00 0.00 0.00 175.76 176.01 2x4r s LEU 126 N 0.47 4.27 0.96 0.00 2.96 -0.18 -0.75 118.68 126.41 2x4r s LEU 126 Ca -0.03 2.04 -0.12 0.00 -0.22 0.00 0.00 54.13 55.80 2x4r s LEU 126 Cb -0.05 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.27 2x4r s LEU 126 CO -0.02 -0.86 1.09 -0.54 -1.32 0.00 0.00 176.35 174.70 2x4r s LYS 127 N 3.73 0.74 0.58 1.98 1.02 0.46 -4.40 119.74 123.85 2x4r s LYS 127 Ca 0.66 0.72 0.28 0.00 0.02 0.00 0.00 55.97 57.66 2x4r s LYS 127 Cb -0.29 -1.76 1.70 0.00 -0.52 0.00 0.00 37.83 36.96 2x4r s LYS 127 CO 0.24 -2.57 2.16 1.49 -0.92 0.00 0.00 175.35 175.75 2x4r h GLU 128 N -1.79 0.00 0.00 1.68 4.81 -1.90 0.12 114.58 117.51 2x4r h GLU 128 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2x4r h GLU 128 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2x4r h GLU 128 CO 0.55 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.43 2x4r n ASP 129 N -3.87 0.29 -2.94 1.04 5.68 -1.26 -4.85 116.55 110.64 2x4r n ASP 129 Ca -0.00 0.53 -0.21 0.00 -0.50 0.00 0.00 54.79 54.61 2x4r n ASP 129 Cb 0.22 -0.61 0.01 0.00 -1.14 0.00 0.00 41.12 39.61 2x4r n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2x4r n LEU 130 N -1.78 -2.07 0.00 -2.12 4.77 0.43 -4.79 117.00 111.45 2x4r n LEU 130 Ca 0.06 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2x4r n LEU 130 Cb 0.36 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 2x4r n LEU 130 CO 0.27 0.10 -0.10 0.54 -1.33 0.00 0.00 177.39 176.87 2x4r n ARG 131 N -3.64 3.27 -4.02 3.23 1.74 -1.26 -4.60 116.66 111.39 2x4r n ARG 131 Ca -0.11 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.89 2x4r n ARG 131 Cb 0.61 -0.46 -0.09 0.00 -1.02 0.00 0.00 32.46 31.50 2x4r n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2x4r s SER 132 N -0.69 0.37 -0.02 0.55 1.04 -1.26 -4.95 113.70 108.73 2x4r s SER 132 Ca 0.00 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.61 2x4r s SER 132 Cb 0.00 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2x4r s SER 132 CO 0.00 -0.62 -0.15 0.26 0.98 0.00 0.00 173.24 173.71 2x4r s TRP 133 N -3.75 2.67 -0.34 5.02 0.52 -1.26 -0.40 118.94 121.39 2x4r s TRP 133 Ca 0.05 -0.18 -0.11 0.00 0.02 0.00 0.00 56.10 55.87 2x4r s TRP 133 Cb 0.06 -1.58 0.00 0.00 -1.15 0.00 0.00 33.47 30.80 2x4r s TRP 133 CO -0.10 0.21 0.21 0.99 0.02 0.00 0.00 176.95 178.28 2x4r s THR 134 N -0.80 4.86 0.07 2.01 2.01 0.07 -4.91 115.64 118.95 2x4r s THR 134 Ca 0.13 -0.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 2x4r s THR 134 Cb -0.11 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 2x4r s THR 134 CO 0.02 -0.06 0.60 0.00 -0.69 0.00 0.00 174.62 174.49 2x4r s ALA 135 N 1.64 3.55 -0.04 7.40 0.00 -1.26 -2.43 121.76 130.62 2x4r s ALA 135 Ca 0.04 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2x4r s ALA 135 Cb -0.18 -2.70 -0.29 0.00 0.00 0.00 0.00 23.12 19.95 2x4r s ALA 135 CO 0.08 0.34 0.70 0.00 0.00 0.00 0.00 175.76 176.88 2x4r h ALA 136 N 4.71 0.25 -2.94 0.00 0.00 -1.74 -3.49 119.26 116.06 2x4r h ALA 136 Ca -0.48 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.25 2x4r h ALA 136 Cb 1.21 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2x4r h ALA 136 CO 0.65 1.12 0.00 -0.40 0.00 0.00 0.00 179.25 180.62 2x4r n ASP 137 N -3.51 0.00 -0.03 0.00 5.68 -1.26 -5.05 116.55 112.38 2x4r n ASP 137 Ca -0.22 -0.18 -0.12 0.00 -0.50 0.00 0.00 54.79 53.76 2x4r n ASP 137 Cb 1.06 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.97 2x4r n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2x4r h MET 138 N 0.00 0.18 -0.82 0.11 1.85 -1.99 -3.00 114.93 111.28 2x4r h MET 138 Ca 0.00 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 2x4r h MET 138 Cb 0.00 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 2x4r h MET 138 CO 0.00 0.48 0.36 0.00 -0.40 0.00 0.00 176.91 177.35 2x4r h ALA 139 N 0.70 1.09 0.00 0.39 0.00 -1.98 -2.46 119.26 117.00 2x4r h ALA 139 Ca 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2x4r h ALA 139 Cb 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2x4r h ALA 139 CO 0.01 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.80 2x4r h ALA 140 N 1.21 1.42 -0.03 0.00 0.00 -1.84 -2.23 119.26 117.80 2x4r h ALA 140 Ca 0.28 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2x4r h ALA 140 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2x4r h ALA 140 CO -0.03 0.16 -0.67 1.96 0.00 0.00 0.00 179.25 180.67 2x4r h GLN 141 N 0.00 0.13 0.12 0.00 4.20 -1.29 -0.49 115.11 117.78 2x4r h GLN 141 Ca -0.00 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2x4r h GLN 141 Cb 0.30 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2x4r h GLN 141 CO 0.02 0.75 -0.14 1.15 -0.67 0.00 0.00 178.83 179.94 2x4r h THR 142 N 0.09 0.69 -0.38 -0.54 2.02 -1.37 -1.56 112.91 111.87 2x4r h THR 142 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 2x4r h THR 142 Cb 1.19 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 2x4r h THR 142 CO 0.10 0.00 -0.14 0.74 0.37 0.00 0.00 175.52 176.59 2x4r h THR 143 N -0.29 0.53 -0.75 3.16 2.02 -1.45 -2.42 112.91 113.73 2x4r h THR 143 Ca 0.01 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.36 2x4r h THR 143 Cb 0.29 0.53 -0.12 0.00 -1.74 0.00 0.00 68.15 67.11 2x4r h THR 143 CO -0.05 0.00 0.07 0.50 0.37 0.00 0.00 175.52 176.41 2x4r h LYS 144 N -0.06 0.15 -0.47 6.66 3.64 -0.69 -0.84 116.57 124.95 2x4r h LYS 144 Ca 0.19 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 2x4r h LYS 144 Cb 0.34 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2x4r h LYS 144 CO -0.42 0.10 -0.12 0.45 -2.27 0.00 0.00 179.45 177.18 2x4r h HIS 145 N 0.15 0.96 -0.64 1.91 3.86 -0.82 0.14 115.15 120.71 2x4r h HIS 145 Ca 0.42 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 2x4r h HIS 145 Cb 0.74 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 2x4r h HIS 145 CO -0.36 0.93 0.21 -0.22 0.86 0.00 0.00 177.93 179.35 2x4r h LYS 146 N 0.78 0.99 0.00 2.45 3.64 -0.83 0.17 116.57 123.77 2x4r h LYS 146 Ca 0.12 -0.21 -0.18 0.00 -1.27 0.00 0.00 60.65 59.11 2x4r h LYS 146 Cb 0.64 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2x4r h LYS 146 CO 0.04 0.86 -0.88 -1.49 -2.27 0.00 0.00 179.45 175.71 2x4r h TRP 147 N 0.92 0.00 -0.45 1.91 4.06 -1.08 -1.30 115.95 120.02 2x4r h TRP 147 Ca 0.21 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.03 2x4r h TRP 147 Cb 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 2x4r h TRP 147 CO 0.02 0.88 -0.23 0.93 -3.56 0.00 0.00 178.44 176.48 2x4r h GLU 148 N 0.00 0.91 -0.13 0.49 5.08 -0.54 0.14 114.58 120.53 2x4r h GLU 148 Ca -0.01 -0.39 -0.16 0.00 -1.00 0.00 0.00 59.36 57.80 2x4r h GLU 148 Cb 1.62 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 2x4r h GLU 148 CO 0.11 1.04 -0.61 0.00 -1.00 0.00 0.00 179.01 178.56 2x4r h ALA 149 N 0.94 0.70 -0.00 3.43 0.00 -0.59 -3.08 119.26 120.66 2x4r h ALA 149 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2x4r h ALA 149 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2x4r h ALA 149 CO 0.07 0.71 -0.31 0.00 0.00 0.00 0.00 179.25 179.72 2x4r n ALA 150 N -2.51 3.14 -3.23 0.00 0.00 -0.50 -4.95 120.51 112.47 2x4r n ALA 150 Ca -0.03 -0.30 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 2x4r n ALA 150 Cb 0.63 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.93 2x4r n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x4r n HIS 151 N -1.28 -1.96 0.06 0.00 -0.00 -0.43 -4.94 115.22 106.68 2x4r n HIS 151 Ca 0.08 0.72 0.01 0.00 -0.00 0.00 0.00 57.72 58.53 2x4r n HIS 151 Cb 0.33 -3.98 0.33 0.00 -0.00 0.00 0.00 29.99 26.67 2x4r n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2x4r h VAL 152 N -1.81 1.20 -0.14 1.59 2.07 -1.08 -2.74 116.25 115.34 2x4r h VAL 152 Ca -0.41 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 2x4r h VAL 152 Cb 1.26 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2x4r h VAL 152 CO 0.39 0.27 -0.27 0.00 0.02 0.00 0.00 177.57 177.98 2x4r h ALA 153 N 1.55 1.29 0.00 1.67 0.00 -1.90 -2.35 119.26 119.51 2x4r h ALA 153 Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2x4r h ALA 153 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2x4r h ALA 153 CO 0.02 0.48 -0.20 0.93 0.00 0.00 0.00 179.25 180.49 2x4r h GLU 154 N 0.22 0.00 0.00 0.00 3.07 -1.74 0.32 114.58 116.46 2x4r h GLU 154 Ca 0.03 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 2x4r h GLU 154 Cb 0.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2x4r h GLU 154 CO 0.04 0.20 -1.40 1.04 -1.40 0.00 0.00 179.01 177.49 2x4r n GLN 155 N -3.52 0.62 -0.03 2.33 1.13 -1.10 -3.15 117.38 113.67 2x4r n GLN 155 Ca -0.01 0.10 -0.13 0.00 -1.94 0.00 0.00 57.00 55.02 2x4r n GLN 155 Cb 0.35 -1.75 -0.09 0.00 0.11 0.00 0.00 30.24 28.86 2x4r n GLN 155 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2x4r h LEU 156 N 0.00 0.11 -0.84 1.08 3.38 -0.88 -3.00 115.31 115.16 2x4r h LEU 156 Ca -0.09 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.42 2x4r h LEU 156 Cb 1.28 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2x4r h LEU 156 CO 0.02 0.61 0.51 -0.09 0.09 0.00 0.00 178.44 179.58 2x4r h ARG 157 N -0.39 0.89 -0.48 1.13 2.43 -0.52 0.28 114.38 117.71 2x4r h ARG 157 Ca 0.00 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2x4r h ARG 157 Cb 0.59 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2x4r h ARG 157 CO 0.01 0.59 0.01 0.00 -1.51 0.00 0.00 179.97 179.08 2x4r h ALA 158 N 1.41 1.12 0.07 2.80 0.00 -1.62 0.65 119.26 123.69 2x4r h ALA 158 Ca 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2x4r h ALA 158 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2x4r h ALA 158 CO -0.19 0.57 -0.03 -0.92 0.00 0.00 0.00 179.25 178.68 2x4r h TYR 159 N 0.74 -0.08 0.00 0.00 3.20 -1.25 -1.26 116.97 118.32 2x4r h TYR 159 Ca 0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2x4r h TYR 159 Cb 0.43 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 2x4r h TYR 159 CO 0.02 0.38 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.75 2x4r h LEU 160 N -0.59 0.00 0.00 2.82 3.38 -0.17 0.14 115.31 120.89 2x4r h LEU 160 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2x4r h LEU 160 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2x4r h LEU 160 CO 0.01 0.11 -1.70 -0.62 0.09 0.00 0.00 178.44 176.33 2x4r n GLU 161 N -4.36 0.64 0.00 1.13 1.02 0.20 -4.21 120.64 115.05 2x4r n GLU 161 Ca -0.03 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2x4r n GLU 161 Cb 0.18 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2x4r n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x4r n GLY 162 N 1.39 0.01 0.37 0.62 0.00 -0.47 -4.62 105.19 102.48 2x4r n GLY 162 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.00 2x4r n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2x4r h THR 163 N 0.00 0.92 0.67 2.61 2.02 -1.56 -1.47 112.91 116.10 2x4r h THR 163 Ca 0.00 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2x4r h THR 163 Cb 0.00 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.45 2x4r h THR 163 CO 0.00 0.15 -0.32 0.00 0.37 0.00 0.00 175.52 175.72 2x4r h VAL 165 N -1.11 1.18 0.31 0.00 -1.51 -1.71 -2.14 116.25 111.27 2x4r h VAL 165 Ca -0.09 -0.54 -0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2x4r h VAL 165 Cb 0.73 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 2x4r h VAL 165 CO 0.15 0.22 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.36 2x4r h GLU 166 N 0.72 -0.57 -0.00 5.19 4.81 -1.12 -1.64 114.58 121.96 2x4r h GLU 166 Ca 0.18 0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.27 2x4r h GLU 166 Cb 0.11 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2x4r h GLU 166 CO -0.02 -0.38 -0.82 -1.49 -0.73 0.00 0.00 179.01 175.57 2x4r h TRP 167 N -0.59 0.17 -0.51 0.92 4.06 -1.28 -2.28 115.95 116.43 2x4r h TRP 167 Ca -0.02 -0.09 0.10 0.00 2.06 0.00 0.00 58.89 60.94 2x4r h TRP 167 Cb 0.53 -0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 28.59 2x4r h TRP 167 CO -0.16 0.88 0.02 1.25 -3.56 0.00 0.00 178.44 176.88 2x4r h LEU 168 N 0.06 -0.17 -0.56 -4.49 5.85 -1.33 0.29 115.31 114.97 2x4r h LEU 168 Ca -0.03 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2x4r h LEU 168 Cb 1.43 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 2x4r h LEU 168 CO 0.12 -0.05 -0.05 0.03 -0.34 0.00 0.00 178.44 178.14 2x4r h ARG 169 N 0.14 1.02 -0.01 1.25 3.08 -1.12 0.16 114.38 118.91 2x4r h ARG 169 Ca 0.26 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.97 2x4r h ARG 169 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2x4r h ARG 169 CO -0.41 1.04 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.37 2x4r h ARG 170 N 0.90 -0.10 -0.94 0.04 2.43 -1.06 -0.50 114.38 115.15 2x4r h ARG 170 Ca 0.15 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2x4r h ARG 170 Cb 0.61 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 2x4r h ARG 170 CO 0.04 -0.07 0.62 1.88 -1.51 0.00 0.00 179.97 180.93 2x4r h TYR 171 N -0.11 1.17 -0.21 2.20 0.05 -0.17 0.14 116.97 120.04 2x4r h TYR 171 Ca 0.03 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2x4r h TYR 171 Cb 0.15 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 2x4r h TYR 171 CO -0.14 0.73 0.05 -0.07 -1.05 0.00 0.00 178.16 177.67 2x4r h LEU 172 N 1.25 0.32 0.39 3.88 3.38 -0.38 0.16 115.31 124.32 2x4r h LEU 172 Ca 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2x4r h LEU 172 Cb -0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2x4r h LEU 172 CO -0.08 0.48 -0.26 -0.33 0.09 0.00 0.00 178.44 178.34 2x4r h GLU 173 N 0.15 -0.59 -0.87 1.13 5.08 -0.80 -0.75 114.58 117.93 2x4r h GLU 173 Ca 0.06 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.63 2x4r h GLU 173 Cb 0.29 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.57 2x4r h GLU 173 CO 0.00 -0.39 0.43 -0.91 -1.00 0.00 0.00 179.01 177.14 2x4r h ASN 174 N -0.61 0.49 -0.52 1.42 2.35 -0.76 -1.08 115.58 116.88 2x4r h ASN 174 Ca -0.05 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2x4r h ASN 174 Cb 0.50 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2x4r h ASN 174 CO 0.04 0.17 0.00 0.61 -1.65 0.00 0.00 177.43 176.60 2x4r n GLY 175 N -1.33 2.13 0.19 2.83 0.00 0.57 -4.74 105.19 104.85 2x4r n GLY 175 Ca 0.18 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 2x4r n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x4r n LYS 176 N 0.87 -0.20 -0.30 1.61 4.81 -0.29 -0.80 118.16 123.86 2x4r n LYS 176 Ca 0.20 0.70 0.12 0.00 -0.87 0.00 0.00 58.31 58.47 2x4r n LYS 176 Cb 0.71 -1.03 0.29 0.00 0.02 0.00 0.00 35.03 35.01 2x4r n LYS 176 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2x4r h GLU 177 N 0.00 0.35 0.00 1.64 5.08 -1.85 0.06 114.58 119.86 2x4r h GLU 177 Ca 0.08 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 2x4r h GLU 177 Cb 0.19 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2x4r h GLU 177 CO -0.44 0.23 -1.17 0.25 -1.00 0.00 0.00 179.01 176.88 2x4r n THR 178 N -5.08 1.51 0.11 1.13 -2.24 0.02 -4.29 114.28 105.43 2x4r n THR 178 Ca 0.21 0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.98 2x4r n THR 178 Cb 0.63 -2.11 0.23 0.00 -2.10 0.00 0.00 70.33 66.97 2x4r n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2x4r h LEU 179 N -1.00 0.18 -4.17 3.22 3.38 -0.91 -3.06 115.31 112.96 2x4r h LEU 179 Ca -0.29 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 56.93 2x4r h LEU 179 Cb 1.14 -0.05 -0.31 0.00 0.09 0.00 0.00 40.66 41.53 2x4r h LEU 179 CO -0.18 0.61 0.62 0.00 0.09 0.00 0.00 178.44 179.59 2x4r n GLN 180 N -3.99 2.86 -4.74 1.13 6.02 -0.00 -4.95 117.38 113.70 2x4r n GLN 180 Ca -0.02 -3.50 -0.33 0.00 -0.01 0.00 0.00 57.00 53.15 2x4r n GLN 180 Cb 0.50 -2.28 -0.16 0.00 1.02 0.00 0.00 30.24 29.32 2x4r n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2x4r s ARG 181 N -3.83 3.11 -0.59 -1.09 1.70 -1.16 -4.91 118.95 112.19 2x4r s ARG 181 Ca 0.60 -0.81 -0.10 0.00 -0.47 0.00 0.00 55.73 54.94 2x4r s ARG 181 Cb 0.48 -2.48 0.15 0.00 -0.57 0.00 0.00 34.95 32.53 2x4r s ARG 181 CO -0.08 0.05 0.48 0.95 -1.08 0.00 0.00 175.30 175.62 2x4r s THR 182 N 0.69 4.62 -0.59 4.99 -4.23 -1.26 -4.64 115.64 115.22 2x4r s THR 182 Ca -0.09 -2.07 -0.24 0.00 -1.18 0.00 0.00 61.69 58.11 2x4r s THR 182 Cb -0.16 -3.97 0.05 0.00 1.34 0.00 0.00 72.50 69.76 2x4r s THR 182 CO 0.01 -0.87 0.97 -1.81 -0.54 0.00 0.00 174.62 172.39 2x4r s ASP 183 N 2.41 6.29 0.62 3.99 1.11 -0.57 -4.74 116.67 125.78 2x4r s ASP 183 Ca 0.10 -0.52 -0.19 0.00 0.18 0.00 0.00 52.55 52.12 2x4r s ASP 183 Cb -0.22 -2.44 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 2x4r s ASP 183 CO -0.02 -1.32 1.28 0.00 1.18 0.00 0.00 175.17 176.28 2x4r s ALA 184 N 4.09 2.46 0.36 5.23 0.00 -1.26 -1.25 121.76 131.38 2x4r s ALA 184 Ca 0.29 1.17 -0.27 0.00 0.00 0.00 0.00 51.96 53.14 2x4r s ALA 184 Cb -0.13 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 2x4r s ALA 184 CO 0.17 -1.46 1.24 -2.14 0.00 0.00 0.00 175.76 173.57 2x4r s PRO 185 N -3.32 4.24 -0.17 0.00 0.02 -1.26 -4.48 135.00 130.02 2x4r s PRO 185 Ca 0.80 2.06 -0.22 0.00 0.02 0.00 0.00 61.00 63.66 2x4r s PRO 185 Cb -0.36 -2.92 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2x4r s PRO 185 CO 0.38 -0.23 0.66 0.15 -0.33 0.00 0.00 177.00 177.64 2x4r s LYS 186 N -1.96 4.27 0.04 5.54 1.02 0.21 -4.86 119.74 123.99 2x4r s LYS 186 Ca 0.52 0.71 0.09 0.00 0.02 0.00 0.00 55.97 57.31 2x4r s LYS 186 Cb -0.36 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 2x4r s LYS 186 CO 0.47 -0.18 -0.26 0.95 -0.92 0.00 0.00 175.35 175.41 2x4r s THR 187 N 1.69 2.10 0.26 2.17 -4.23 -1.26 -0.13 115.64 116.24 2x4r s THR 187 Ca 0.31 -1.37 -0.20 0.00 -1.18 0.00 0.00 61.69 59.25 2x4r s THR 187 Cb -0.16 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 71.91 2x4r s THR 187 CO 0.12 0.35 0.67 -1.38 -0.54 0.00 0.00 174.62 173.84 2x4r s HIS 188 N -0.80 -0.17 0.12 3.99 -3.43 -1.03 -4.99 115.29 108.97 2x4r s HIS 188 Ca 0.11 -0.24 0.11 0.00 -0.80 0.00 0.00 55.06 54.24 2x4r s HIS 188 Cb -0.10 0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 2x4r s HIS 188 CO 0.02 -1.14 -0.26 -1.64 -2.00 0.00 0.00 174.74 169.72 2x4r s MET 189 N -3.91 1.38 0.01 -0.38 -1.94 -1.26 -0.24 119.30 112.96 2x4r s MET 189 Ca 0.11 -1.31 0.06 0.00 -1.71 0.00 0.00 55.69 52.84 2x4r s MET 189 Cb -0.04 -1.83 -0.02 0.00 2.01 0.00 0.00 34.83 34.95 2x4r s MET 189 CO 0.04 0.43 -0.19 0.95 -0.01 0.00 0.00 175.02 176.25 2x4r s THR 190 N -1.06 1.48 -0.14 2.05 -4.23 0.49 -4.96 115.64 109.27 2x4r s THR 190 Ca 0.13 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 2x4r s THR 190 Cb -0.10 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.50 2x4r s THR 190 CO 0.06 0.31 -0.15 -2.28 -0.54 0.00 0.00 174.62 172.02 2x4r s HIS 191 N -0.58 2.16 -0.02 3.99 2.46 -1.26 -0.60 115.29 121.44 2x4r s HIS 191 Ca 0.07 -1.18 0.02 0.00 0.47 0.00 0.00 55.06 54.44 2x4r s HIS 191 Cb -0.08 -1.58 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 2x4r s HIS 191 CO 0.00 -0.64 -0.07 -1.01 -2.47 0.00 0.00 174.74 170.55 2x4r s HIS 192 N 1.39 0.76 -0.15 3.88 3.76 -0.89 -4.99 115.29 119.04 2x4r s HIS 192 Ca 0.03 -0.17 -0.25 0.00 -0.15 0.00 0.00 55.06 54.51 2x4r s HIS 192 Cb -0.13 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 2x4r s HIS 192 CO -0.09 -0.08 0.82 0.00 -0.85 0.00 0.00 174.74 174.54 2x4r s ALA 193 N 0.19 3.48 -0.04 -1.40 0.00 -1.26 -0.05 121.76 122.68 2x4r s ALA 193 Ca -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 2x4r s ALA 193 Cb -0.07 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2x4r s ALA 193 CO 0.00 -0.57 0.29 0.28 0.00 0.00 0.00 175.76 175.76 2x4r h VAL 194 N 5.13 0.00 -2.24 0.00 2.07 -1.77 -3.47 116.25 115.97 2x4r h VAL 194 Ca -0.31 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2x4r h VAL 194 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2x4r h VAL 194 CO 0.82 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.21 2x4r n SER 195 N -3.67 1.28 -0.09 0.57 7.64 -1.04 -4.99 113.62 113.31 2x4r n SER 195 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.98 2x4r n SER 195 Cb 0.07 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.57 2x4r n SER 195 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2x4r n ASP 196 N 0.00 0.69 -0.00 6.43 5.75 -1.26 -3.99 116.55 124.17 2x4r n ASP 196 Ca 0.00 -0.49 0.05 0.00 -0.01 0.00 0.00 54.79 54.34 2x4r n ASP 196 Cb 0.00 0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 2x4r n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x4r n HIS 197 N -1.18 0.00 -4.07 2.11 1.44 -1.26 -4.79 115.22 107.46 2x4r n HIS 197 Ca 0.08 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.67 2x4r n HIS 197 Cb 0.34 -0.12 -0.11 0.00 0.12 0.00 0.00 29.99 30.22 2x4r n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x4r s GLU 198 N -2.31 0.56 -0.06 -1.40 2.02 -1.26 -0.19 118.70 116.07 2x4r s GLU 198 Ca -0.00 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.07 2x4r s GLU 198 Cb 0.07 -0.26 0.02 0.00 0.10 0.00 0.00 34.13 34.05 2x4r s GLU 198 CO 0.39 0.04 0.20 0.00 0.02 0.00 0.00 175.26 175.91 2x4r s ALA 199 N -1.71 -0.50 -0.26 5.21 0.00 -0.48 -2.12 121.76 121.89 2x4r s ALA 199 Ca -0.07 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 2x4r s ALA 199 Cb -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2x4r s ALA 199 CO -0.00 -0.14 0.81 0.99 0.00 0.00 0.00 175.76 177.42 2x4r s THR 200 N -0.37 4.83 -0.37 0.00 2.01 0.92 -0.39 115.64 122.27 2x4r s THR 200 Ca -0.05 1.45 -0.15 0.00 0.31 0.00 0.00 61.69 63.25 2x4r s THR 200 Cb -0.03 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 2x4r s THR 200 CO 0.01 -0.12 0.33 -0.76 -0.69 0.00 0.00 174.62 173.39 2x4r s LEU 201 N 2.87 4.67 -0.13 4.42 1.43 -0.17 -2.11 118.68 129.66 2x4r s LEU 201 Ca 0.34 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2x4r s LEU 201 Cb -0.15 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2x4r s LEU 201 CO 0.09 -0.38 -0.09 -0.60 0.23 0.00 0.00 176.35 175.60 2x4r s ARG 202 N 1.89 3.41 -0.25 1.70 3.52 0.24 -1.22 118.95 128.24 2x4r s ARG 202 Ca 0.09 -0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 2x4r s ARG 202 Cb -0.17 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 2x4r s ARG 202 CO 0.11 0.27 0.13 0.00 -0.81 0.00 0.00 175.30 175.00 2x4r s TRP 204 N 1.35 3.25 -0.25 0.00 0.52 0.67 -2.05 118.94 122.43 2x4r s TRP 204 Ca 0.06 0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.36 2x4r s TRP 204 Cb -0.15 -1.93 0.06 0.00 -1.15 0.00 0.00 33.47 30.31 2x4r s TRP 204 CO 0.06 0.36 -0.05 0.00 0.02 0.00 0.00 176.95 177.34 2x4r s ALA 205 N -0.38 2.11 0.07 0.98 0.00 -0.63 -2.47 121.76 121.43 2x4r s ALA 205 Ca 0.08 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.61 2x4r s ALA 205 Cb -0.12 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2x4r s ALA 205 CO 0.02 -1.25 -0.21 -0.51 0.00 0.00 0.00 175.76 173.82 2x4r s LEU 206 N 1.32 2.51 -1.10 0.00 1.43 0.81 -1.66 118.68 121.99 2x4r s LEU 206 Ca -0.05 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 2x4r s LEU 206 Cb -0.19 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2x4r s LEU 206 CO -0.07 0.23 0.93 -0.24 0.23 0.00 0.00 176.35 177.43 2x4r n SER 207 N 1.36 -5.52 -4.79 2.29 2.88 -0.30 -0.62 113.62 108.91 2x4r n SER 207 Ca -0.16 -0.42 -0.22 0.00 -1.33 0.00 0.00 58.87 56.73 2x4r n SER 207 Cb 0.52 -4.14 -0.05 0.00 -0.75 0.00 0.00 64.21 59.80 2x4r n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4r s PHE 208 N -3.25 3.03 -0.25 0.66 -0.12 -1.08 -4.72 117.98 112.26 2x4r s PHE 208 Ca 0.46 -0.13 -0.18 0.00 -0.05 0.00 0.00 56.93 57.03 2x4r s PHE 208 Cb -0.20 -1.37 0.07 0.00 -0.63 0.00 0.00 43.02 40.89 2x4r s PHE 208 CO 0.57 0.53 0.63 -0.47 -0.05 0.00 0.00 175.22 176.44 2x4r s TYR 209 N -2.17 -0.84 0.35 3.49 5.04 -0.38 -1.38 117.35 121.45 2x4r s TYR 209 Ca 0.33 1.84 -0.06 0.00 -2.44 0.00 0.00 57.07 56.74 2x4r s TYR 209 Cb -0.08 0.41 0.09 0.00 0.35 0.00 0.00 41.96 42.73 2x4r s TYR 209 CO 0.24 -0.42 0.33 -2.30 -1.34 0.00 0.00 175.55 172.06 2x4r n PRO 210 N 3.60 -1.50 -0.01 4.97 -0.02 -1.26 -1.50 135.00 139.27 2x4r n PRO 210 Ca -0.18 -0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 60.66 2x4r n PRO 210 Cb 0.57 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 2x4r n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4r h ALA 211 N -2.19 0.55 -1.95 3.55 0.00 -1.95 -3.45 119.26 113.82 2x4r h ALA 211 Ca -0.12 -0.55 -0.64 0.00 0.00 0.00 0.00 54.91 53.60 2x4r h ALA 211 Cb 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2x4r h ALA 211 CO 0.08 0.70 1.01 -1.91 0.00 0.00 0.00 179.25 179.14 2x4r n GLU 212 N -3.93 1.96 -3.74 0.00 4.07 -1.26 -4.94 120.64 112.80 2x4r n GLU 212 Ca -0.05 0.72 -0.10 0.00 -0.06 0.00 0.00 57.16 57.67 2x4r n GLU 212 Cb 0.66 -2.52 -0.05 0.00 -0.06 0.00 0.00 31.44 29.48 2x4r n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2x4r s ILE 213 N 3.55 0.06 -0.15 6.31 2.07 -1.26 -4.63 121.20 127.14 2x4r s ILE 213 Ca 0.92 -0.82 -0.02 0.00 -1.41 0.00 0.00 60.65 59.32 2x4r s ILE 213 Cb -0.77 -1.44 0.05 0.00 0.13 0.00 0.00 42.46 40.43 2x4r s ILE 213 CO 0.53 -0.26 0.02 -0.89 -1.91 0.00 0.00 174.94 172.43 2x4r s THR 214 N -3.86 0.48 -0.16 4.00 2.01 -0.43 -4.99 115.64 112.69 2x4r s THR 214 Ca 0.08 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 2x4r s THR 214 Cb 0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 2x4r s THR 214 CO -0.07 -0.04 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.00 2x4r s LEU 215 N 1.90 3.02 0.03 4.42 1.43 -1.26 -0.78 118.68 127.44 2x4r s LEU 215 Ca 0.01 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2x4r s LEU 215 Cb -0.15 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2x4r s LEU 215 CO -0.07 0.13 0.04 0.42 0.23 0.00 0.00 176.35 177.10 2x4r s THR 216 N 0.56 0.14 -0.06 5.49 -4.23 -0.37 -4.96 115.64 112.21 2x4r s THR 216 Ca -0.05 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 2x4r s THR 216 Cb -0.15 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.83 2x4r s THR 216 CO 0.03 -0.64 -0.10 0.26 -0.54 0.00 0.00 174.62 173.62 2x4r s TRP 217 N -2.53 2.84 0.15 3.99 0.52 -1.26 0.28 118.94 122.93 2x4r s TRP 217 Ca -0.06 -0.07 0.08 0.00 0.02 0.00 0.00 56.10 56.07 2x4r s TRP 217 Cb -0.02 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 2x4r s TRP 217 CO -0.04 0.26 -0.17 -0.65 0.02 0.00 0.00 176.95 176.36 2x4r s GLN 218 N -0.74 1.19 -0.29 4.98 -0.21 0.28 -1.37 119.66 123.51 2x4r s GLN 218 Ca 0.11 -1.35 0.03 0.00 0.02 0.00 0.00 55.36 54.17 2x4r s GLN 218 Cb -0.11 -1.20 0.08 0.00 1.00 0.00 0.00 33.01 32.78 2x4r s GLN 218 CO 0.01 0.24 -0.04 0.50 -2.12 0.00 0.00 175.29 173.88 2x4r s ARG 219 N -2.74 1.87 -1.78 2.91 3.52 -0.14 -1.35 118.95 121.24 2x4r s ARG 219 Ca 0.13 -1.50 0.00 0.00 -0.13 0.00 0.00 55.73 54.23 2x4r s ARG 219 Cb -0.05 -2.96 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 2x4r s ARG 219 CO 0.05 -0.72 0.00 -0.25 -0.81 0.00 0.00 175.30 173.58 2x4r n ASP 220 N 4.40 -5.90 0.00 -2.12 8.00 -0.75 -2.41 116.55 117.76 2x4r n ASP 220 Ca -0.07 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2x4r n ASP 220 Cb 0.42 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.61 2x4r n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4r n GLY 221 N -1.01 1.84 3.62 0.44 0.00 -1.26 -5.05 105.19 103.76 2x4r n GLY 221 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2x4r n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4r s GLU 222 N -0.74 4.04 0.60 1.61 2.02 -1.01 -5.00 118.70 120.22 2x4r s GLU 222 Ca 0.00 -0.04 -0.20 0.00 0.02 0.00 0.00 54.97 54.75 2x4r s GLU 222 Cb 0.00 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2x4r s GLU 222 CO 0.00 -0.17 1.30 -0.25 0.02 0.00 0.00 175.26 176.16 2x4r n ASP 223 N 5.00 2.27 -1.23 -0.19 8.00 -1.26 -0.97 116.55 128.16 2x4r n ASP 223 Ca -0.10 0.90 -0.07 0.00 0.71 0.00 0.00 54.79 56.22 2x4r n ASP 223 Cb 0.51 -1.55 0.16 0.00 -0.02 0.00 0.00 41.12 40.22 2x4r n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4r n GLN 224 N -1.44 2.16 -0.33 -1.24 1.13 -0.47 -4.83 117.38 112.36 2x4r n GLN 224 Ca 0.13 -3.44 0.04 0.00 -1.94 0.00 0.00 57.00 51.79 2x4r n GLN 224 Cb 0.46 -1.88 0.10 0.00 0.11 0.00 0.00 30.24 29.04 2x4r n GLN 224 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2x4r n THR 225 N -1.03 -0.40 -0.32 5.09 -2.24 -1.26 0.29 114.28 114.40 2x4r n THR 225 Ca 0.33 2.05 0.15 0.00 -2.27 0.00 0.00 64.05 64.31 2x4r n THR 225 Cb 0.90 -2.81 0.34 0.00 -2.10 0.00 0.00 70.33 66.66 2x4r n THR 225 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2x4r h GLN 226 N 0.00 0.47 -0.13 -0.78 1.08 -1.99 -2.96 115.11 110.80 2x4r h GLN 226 Ca 0.40 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2x4r h GLN 226 Cb 0.62 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2x4r h GLN 226 CO -0.91 0.31 -0.01 -0.25 -0.95 0.00 0.00 178.83 177.03 2x4r n ASP 227 N -4.97 3.08 -4.68 1.46 8.00 0.14 -4.97 116.55 114.62 2x4r n ASP 227 Ca 0.24 -3.08 -0.35 0.00 0.71 0.00 0.00 54.79 52.31 2x4r n ASP 227 Cb 0.70 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 41.22 2x4r n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4r s THR 228 N -2.87 5.23 -0.22 -3.53 2.01 -0.78 -4.59 115.64 110.88 2x4r s THR 228 Ca 0.37 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.23 2x4r s THR 228 Cb 0.31 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.43 2x4r s THR 228 CO 0.06 0.42 0.95 -0.70 -0.69 0.00 0.00 174.62 174.65 2x4r s GLU 229 N 0.58 4.24 -0.24 4.92 2.12 0.43 -4.93 118.70 125.82 2x4r s GLU 229 Ca 0.07 1.19 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 2x4r s GLU 229 Cb -0.12 -3.63 0.07 0.00 0.26 0.00 0.00 34.13 30.71 2x4r s GLU 229 CO 0.00 -0.56 0.02 -1.17 -0.54 0.00 0.00 175.26 173.02 2x4r s LEU 230 N 2.95 2.01 0.66 2.70 2.96 -1.26 -0.19 118.68 128.51 2x4r s LEU 230 Ca 0.41 -1.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.01 2x4r s LEU 230 Cb -0.15 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 2x4r s LEU 230 CO 0.07 -0.31 1.05 0.68 -1.32 0.00 0.00 176.35 176.52 2x4r s VAL 231 N 1.62 4.08 0.50 1.68 -7.23 -1.00 -5.01 120.40 115.03 2x4r s VAL 231 Ca 0.01 0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 60.71 2x4r s VAL 231 Cb -0.18 -3.46 -0.06 0.00 0.56 0.00 0.00 36.38 33.24 2x4r s VAL 231 CO -0.12 -0.81 1.24 -1.61 -0.31 0.00 0.00 175.10 173.49 2x4r s GLU 232 N -4.80 3.46 0.24 4.82 2.02 -1.26 -4.63 118.70 118.54 2x4r s GLU 232 Ca 0.59 1.94 -0.31 0.00 0.02 0.00 0.00 54.97 57.21 2x4r s GLU 232 Cb -0.14 -2.30 -0.11 0.00 0.10 0.00 0.00 34.13 31.68 2x4r s GLU 232 CO 0.50 -0.84 1.64 0.99 0.02 0.00 0.00 175.26 177.56 2x4r s THR 233 N -1.47 2.16 0.06 3.63 2.01 -1.26 -4.81 115.64 115.95 2x4r s THR 233 Ca 0.68 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.86 2x4r s THR 233 Cb -0.33 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2x4r s THR 233 CO 0.39 0.01 -0.16 0.00 -0.69 0.00 0.00 174.62 174.17 2x4r s ARG 234 N 0.43 1.00 0.20 4.92 1.70 -0.54 -4.97 118.95 121.68 2x4r s ARG 234 Ca 0.69 -0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 2x4r s ARG 234 Cb -0.48 -1.06 -0.09 0.00 -0.57 0.00 0.00 34.95 32.75 2x4r s ARG 234 CO 0.39 0.26 1.39 -2.14 -1.08 0.00 0.00 175.30 174.11 2x4r s PRO 235 N -1.44 4.32 0.39 3.89 0.02 -1.26 -1.02 135.00 139.89 2x4r s PRO 235 Ca 0.02 2.17 0.21 0.00 0.02 0.00 0.00 61.00 63.42 2x4r s PRO 235 Cb -0.09 -3.17 0.30 0.00 0.02 0.00 0.00 34.50 31.56 2x4r s PRO 235 CO 0.02 -0.37 1.57 0.00 -0.33 0.00 0.00 177.00 177.89 2x4r h ALA 236 N 5.59 0.89 0.00 -1.55 0.00 -1.35 -3.46 119.26 119.38 2x4r h ALA 236 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2x4r h ALA 236 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2x4r h ALA 236 CO 0.80 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.69 2x4r n GLY 237 N 1.07 1.37 0.65 0.00 0.00 -1.26 -4.86 105.19 102.15 2x4r n GLY 237 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2x4r n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x4r n ASP 238 N 0.00 2.90 0.00 1.61 5.75 -1.26 -4.94 116.55 120.61 2x4r n ASP 238 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2x4r n ASP 238 Cb 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 2x4r n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x4r n GLY 239 N 0.55 0.71 4.00 6.12 0.00 -1.26 -5.06 105.19 110.25 2x4r n GLY 239 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2x4r n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4r s THR 240 N -2.46 2.01 0.23 2.61 -4.23 -1.26 -4.93 115.64 107.61 2x4r s THR 240 Ca 0.00 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 2x4r s THR 240 Cb 0.00 -2.14 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 2x4r s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 2x4r s PHE 241 N -2.70 1.62 0.11 3.99 0.08 -0.48 -0.94 117.98 119.68 2x4r s PHE 241 Ca 0.55 -0.81 0.02 0.00 0.12 0.00 0.00 56.93 56.81 2x4r s PHE 241 Cb -0.05 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 2x4r s PHE 241 CO 0.35 0.09 -0.07 -0.65 -0.10 0.00 0.00 175.22 174.84 2x4r s GLN 242 N -3.79 0.90 -0.16 0.44 -0.21 -0.19 -1.15 119.66 115.49 2x4r s GLN 242 Ca 0.26 -1.38 -0.29 0.00 0.02 0.00 0.00 55.36 53.98 2x4r s GLN 242 Cb 0.04 -0.30 0.10 0.00 1.00 0.00 0.00 33.01 33.86 2x4r s GLN 242 CO 0.08 -0.01 0.89 0.21 -2.12 0.00 0.00 175.29 174.34 2x4r s LYS 243 N -3.82 0.73 0.05 2.91 2.20 -0.67 -1.47 119.74 119.67 2x4r s LYS 243 Ca 0.14 0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 56.08 2x4r s LYS 243 Cb 0.05 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 2x4r s LYS 243 CO -0.03 -0.19 -0.01 1.67 -0.36 0.00 0.00 175.35 176.43 2x4r s TRP 244 N -0.72 0.46 -0.05 4.03 1.48 -1.26 -1.60 118.94 121.27 2x4r s TRP 244 Ca -0.03 -0.97 0.00 0.00 -1.06 0.00 0.00 56.10 54.04 2x4r s TRP 244 Cb -0.02 -0.34 0.02 0.00 -1.16 0.00 0.00 33.47 31.97 2x4r s TRP 244 CO 0.02 -0.37 -0.03 0.00 -4.06 0.00 0.00 176.95 172.51 2x4r s ALA 245 N -3.61 0.71 0.09 2.67 0.00 -0.87 -2.39 121.76 118.36 2x4r s ALA 245 Ca 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.00 2x4r s ALA 245 Cb 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2x4r s ALA 245 CO -0.09 -0.16 -0.23 0.00 0.00 0.00 0.00 175.76 175.28 2x4r s ALA 246 N 1.25 2.45 0.16 0.00 0.00 0.74 -0.18 121.76 126.17 2x4r s ALA 246 Ca -0.06 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.60 2x4r s ALA 246 Cb -0.14 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2x4r s ALA 246 CO -0.02 0.56 -0.11 0.14 0.00 0.00 0.00 175.76 176.32 2x4r s VAL 247 N -1.00 1.32 -0.20 0.00 -7.23 -0.36 -0.43 120.40 112.51 2x4r s VAL 247 Ca 0.14 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 2x4r s VAL 247 Cb -0.10 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 2x4r s VAL 247 CO 0.06 -0.68 0.10 -0.69 -0.31 0.00 0.00 175.10 173.57 2x4r s VAL 248 N -3.14 4.98 -0.17 1.32 1.01 -1.26 -1.00 120.40 122.14 2x4r s VAL 248 Ca 0.17 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2x4r s VAL 248 Cb 0.01 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2x4r s VAL 248 CO 0.02 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.68 2x4r s VAL 249 N 0.60 2.31 -0.02 2.92 1.01 0.47 -4.95 120.40 122.74 2x4r s VAL 249 Ca 0.05 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 60.84 2x4r s VAL 249 Cb -0.13 -1.97 -0.11 0.00 0.00 0.00 0.00 36.38 34.18 2x4r s VAL 249 CO 0.01 0.52 1.91 -2.65 0.00 0.00 0.00 175.10 174.89 2x4r n PRO 250 N 4.44 2.49 -1.68 2.72 -0.02 -1.26 -1.38 135.00 140.31 2x4r n PRO 250 Ca -0.20 0.91 -0.55 0.00 -2.02 0.00 0.00 63.50 61.64 2x4r n PRO 250 Cb 0.51 -2.81 -0.07 0.00 -0.02 0.00 0.00 33.50 31.11 2x4r n PRO 250 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2x4r n SER 251 N 6.86 2.35 0.00 2.55 7.64 0.73 -1.06 113.62 132.69 2x4r n SER 251 Ca 0.21 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2x4r n SER 251 Cb 0.34 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2x4r n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x4r n GLY 252 N 3.85 0.72 0.02 0.23 0.00 -1.26 -4.94 105.19 103.81 2x4r n GLY 252 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 2x4r n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x4r n GLN 253 N -1.12 2.53 -0.25 1.61 6.02 -0.22 -4.78 117.38 121.17 2x4r n GLN 253 Ca 0.00 -1.74 0.04 0.00 -0.01 0.00 0.00 57.00 55.28 2x4r n GLN 253 Cb 0.00 -1.11 0.17 0.00 1.02 0.00 0.00 30.24 30.32 2x4r n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2x4r h GLU 254 N 0.00 0.48 -0.28 -1.09 3.07 -1.92 -1.98 114.58 112.85 2x4r h GLU 254 Ca 0.00 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 58.90 2x4r h GLU 254 Cb 0.63 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2x4r h GLU 254 CO 0.00 0.32 0.20 0.37 -1.40 0.00 0.00 179.01 178.50 2x4r h GLN 255 N 0.49 0.06 0.00 2.33 4.15 -1.86 -2.47 115.11 117.81 2x4r h GLN 255 Ca 0.39 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.77 2x4r h GLN 255 Cb 0.54 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 2x4r h GLN 255 CO -0.36 0.04 -0.16 0.00 -1.93 0.00 0.00 178.83 176.42 2x4r h ARG 256 N 0.06 0.00 -6.24 1.69 3.08 -1.73 -3.45 114.38 107.79 2x4r h ARG 256 Ca 0.13 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.61 2x4r h ARG 256 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2x4r h ARG 256 CO -0.01 0.16 -0.25 0.71 -1.07 0.00 0.00 179.97 179.51 2x4r s TYR 257 N -4.28 3.47 -0.02 3.04 2.02 -0.93 -1.82 117.35 118.83 2x4r s TYR 257 Ca -0.03 0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 57.31 2x4r s TYR 257 Cb 0.14 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2x4r s TYR 257 CO 0.62 0.39 0.05 0.95 -1.57 0.00 0.00 175.55 176.00 2x4r s THR 258 N -1.69 0.02 -0.09 -0.71 -4.23 -0.45 -4.52 115.64 103.97 2x4r s THR 258 Ca 0.42 -0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.68 2x4r s THR 258 Cb -0.12 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.54 2x4r s THR 258 CO 0.23 -0.09 0.19 0.00 -0.54 0.00 0.00 174.62 174.41 2x4r s HIS 260 N -1.08 2.47 -0.24 0.00 3.76 0.14 -0.83 115.29 119.52 2x4r s HIS 260 Ca 0.18 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 2x4r s HIS 260 Cb -0.13 -1.64 0.05 0.00 1.11 0.00 0.00 32.58 31.97 2x4r s HIS 260 CO 0.07 -0.32 -0.11 0.08 -0.85 0.00 0.00 174.74 173.60 2x4r s VAL 261 N 0.12 1.99 -0.24 -0.90 1.01 -0.92 -1.23 120.40 120.23 2x4r s VAL 261 Ca -0.12 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 2x4r s VAL 261 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2x4r s VAL 261 CO 0.06 0.07 0.05 -1.10 0.00 0.00 0.00 175.10 174.18 2x4r s GLN 262 N 1.21 3.62 0.18 2.72 -0.21 0.04 -1.56 119.66 125.67 2x4r s GLN 262 Ca -0.06 -0.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 2x4r s GLN 262 Cb -0.18 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 2x4r s GLN 262 CO -0.07 -0.16 0.21 -1.58 -2.12 0.00 0.00 175.29 171.58 2x4r s HIS 263 N 1.51 0.76 0.35 0.91 2.46 -1.26 -1.32 115.29 118.71 2x4r s HIS 263 Ca 0.06 -1.08 0.13 0.00 0.47 0.00 0.00 55.06 54.64 2x4r s HIS 263 Cb -0.15 -0.28 0.70 0.00 -0.13 0.00 0.00 32.58 32.71 2x4r s HIS 263 CO 0.02 -0.70 1.80 1.49 -2.47 0.00 0.00 174.74 174.89 2x4r h GLU 264 N 2.59 0.00 -0.02 2.88 4.81 -1.91 -3.23 114.58 119.70 2x4r h GLU 264 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2x4r h GLU 264 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2x4r h GLU 264 CO 0.50 0.39 -0.07 0.41 -0.73 0.00 0.00 179.01 179.51 2x4r n GLY 265 N -0.36 0.08 3.71 1.92 0.00 -1.26 -4.80 105.19 104.47 2x4r n GLY 265 Ca -0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2x4r n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4r s LEU 266 N -2.12 4.01 0.09 0.99 1.43 -1.22 -4.56 118.68 117.30 2x4r s LEU 266 Ca 0.33 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 2x4r s LEU 266 Cb 0.20 -2.00 -0.14 0.00 0.03 0.00 0.00 46.19 44.28 2x4r s LEU 266 CO 0.37 0.24 1.65 -0.65 0.23 0.00 0.00 176.35 178.19 2x4r h PRO 267 N 6.22 -0.57 -6.24 1.29 0.11 -1.89 -3.43 132.00 127.48 2x4r h PRO 267 Ca -0.43 0.04 -0.69 0.00 0.11 0.00 0.00 66.00 65.03 2x4r h PRO 267 Cb 1.18 0.13 -0.27 0.00 0.11 0.00 0.00 31.00 32.15 2x4r h PRO 267 CO 0.68 -0.38 -0.82 0.21 -0.21 0.00 0.00 178.00 177.48 2x4r s LYS 268 N -6.08 2.50 -0.05 1.05 2.20 -1.26 -5.09 119.74 113.01 2x4r s LYS 268 Ca -0.16 -0.79 -0.37 0.00 -0.36 0.00 0.00 55.97 54.29 2x4r s LYS 268 Cb 0.06 -2.28 -0.15 0.00 -1.51 0.00 0.00 37.83 33.95 2x4r s LYS 268 CO 0.64 0.52 1.62 -2.30 -0.36 0.00 0.00 175.35 175.47 2x4r n PRO 269 N 2.58 1.54 -1.95 4.03 -0.02 -1.26 -4.95 135.00 134.96 2x4r n PRO 269 Ca -0.17 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 2x4r n PRO 269 Cb 0.52 -2.28 0.01 0.00 -0.02 0.00 0.00 33.50 31.73 2x4r n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x4r s LEU 270 N 2.24 3.35 -0.09 2.45 1.43 -0.60 -4.85 118.68 122.61 2x4r s LEU 270 Ca 0.89 1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 55.58 2x4r s LEU 270 Cb -0.89 -4.50 0.03 0.00 0.03 0.00 0.00 46.19 40.86 2x4r s LEU 270 CO 0.52 -1.02 -0.04 -0.89 0.23 0.00 0.00 176.35 175.14 2x4r s THR 271 N -2.86 0.75 -0.08 5.49 2.01 -1.26 -2.17 115.64 117.52 2x4r s THR 271 Ca 0.59 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2x4r s THR 271 Cb -0.13 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2x4r s THR 271 CO 0.45 0.32 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.87 2x4r s LEU 272 N 1.76 3.14 0.05 4.42 1.02 -0.01 -4.96 118.68 124.10 2x4r s LEU 272 Ca 0.04 -0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.18 2x4r s LEU 272 Cb -0.13 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 2x4r s LEU 272 CO -0.06 0.32 -0.16 -0.13 0.02 0.00 0.00 176.35 176.34 2x4r s ARG 273 N -0.57 1.00 -0.91 1.70 0.52 -1.26 -1.65 118.95 117.79 2x4r s ARG 273 Ca 0.09 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.27 2x4r s ARG 273 Cb -0.12 -1.05 0.14 0.00 0.52 0.00 0.00 34.95 34.45 2x4r s ARG 273 CO 0.02 0.26 1.07 -0.46 0.02 0.00 0.00 175.30 176.20 2x4r s TRP 274 N -0.92 3.21 0.00 -0.53 -0.11 -1.26 -5.04 118.94 114.28 2x4r s TRP 274 Ca 0.02 -1.47 0.00 0.00 1.22 0.00 0.00 56.10 55.87 2x4r s TRP 274 Cb -0.08 -4.21 0.00 0.00 -1.50 0.00 0.00 33.47 27.67 2x4r s TRP 274 CO 0.02 -1.41 0.00 -1.91 -4.62 0.00 0.00 176.95 169.02