#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of2 s SER 2 N 0.00 6.60 0.06 1.61 0.15 -1.26 -3.06 113.70 117.79 1of2 s SER 2 Ca 0.00 0.71 -0.00 0.00 0.70 0.00 0.00 55.95 57.36 1of2 s SER 2 Cb 0.00 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1of2 s SER 2 CO 0.00 0.26 -0.04 -1.00 1.20 0.00 0.00 173.24 173.66 1of2 s HIS 3 N -1.26 0.60 0.07 3.44 0.09 -0.62 -5.00 115.29 112.62 1of2 s HIS 3 Ca 0.27 -1.02 0.03 0.00 -0.00 0.00 0.00 55.06 54.34 1of2 s HIS 3 Cb -0.14 -0.41 -0.03 0.00 -0.00 0.00 0.00 32.58 31.99 1of2 s HIS 3 CO 0.15 -0.32 -0.09 -1.54 -0.00 0.00 0.00 174.74 172.93 1of2 s SER 4 N -2.91 1.20 -0.05 1.40 1.04 -1.26 -0.86 113.70 112.26 1of2 s SER 4 Ca 0.08 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.81 1of2 s SER 4 Cb 0.07 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1of2 s SER 4 CO -0.09 -0.25 -0.13 -0.32 0.98 0.00 0.00 173.24 173.43 1of2 s MET 5 N -2.39 1.54 -0.01 4.02 -2.45 -0.50 -0.88 119.30 118.62 1of2 s MET 5 Ca -0.00 -0.45 -0.00 0.00 -1.25 0.00 0.00 55.69 53.99 1of2 s MET 5 Cb -0.05 -1.32 0.01 0.00 1.25 0.00 0.00 34.83 34.72 1of2 s MET 5 CO -0.00 0.12 0.02 1.03 1.05 0.00 0.00 175.02 177.23 1of2 s ARG 6 N 0.35 -0.01 -0.19 4.11 1.81 -0.35 -1.80 118.95 122.87 1of2 s ARG 6 Ca -0.08 0.09 -0.04 0.00 -1.72 0.00 0.00 55.73 53.98 1of2 s ARG 6 Cb -0.13 -0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.26 1of2 s ARG 6 CO 0.02 -0.07 -0.04 0.71 -0.68 0.00 0.00 175.30 175.24 1of2 s TYR 7 N 0.45 2.97 -0.07 -0.53 2.02 -0.15 -1.06 117.35 120.97 1of2 s TYR 7 Ca -0.04 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1of2 s TYR 7 Cb -0.05 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1of2 s TYR 7 CO -0.01 -0.33 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.53 1of2 s PHE 8 N 0.99 2.99 -0.00 2.71 0.08 -0.33 -1.95 117.98 122.46 1of2 s PHE 8 Ca 0.00 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.12 1of2 s PHE 8 Cb -0.15 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1of2 s PHE 8 CO 0.01 0.37 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.48 1of2 s HIS 9 N -0.84 0.07 -0.04 0.36 3.76 0.45 -1.59 115.29 117.47 1of2 s HIS 9 Ca 0.13 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 55.02 1of2 s HIS 9 Cb -0.11 -0.05 0.03 0.00 1.11 0.00 0.00 32.58 33.56 1of2 s HIS 9 CO 0.02 -0.00 0.04 0.99 -0.85 0.00 0.00 174.74 174.93 1of2 s THR 10 N 0.02 0.02 -0.10 1.30 2.01 -0.36 -1.59 115.64 116.94 1of2 s THR 10 Ca -0.00 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1of2 s THR 10 Cb -0.01 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 1of2 s THR 10 CO -0.00 0.17 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.54 1of2 s SER 11 N 1.80 4.13 -0.16 3.53 0.01 -0.08 -1.16 113.70 121.77 1of2 s SER 11 Ca 0.01 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1of2 s SER 11 Cb -0.12 -1.30 0.04 0.00 0.21 0.00 0.00 66.02 64.85 1of2 s SER 11 CO -0.03 0.25 -0.08 -0.69 0.41 0.00 0.00 173.24 173.10 1of2 s VAL 12 N -0.16 1.33 0.64 3.43 1.01 -0.49 -0.40 120.40 125.75 1of2 s VAL 12 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1of2 s VAL 12 Cb -0.13 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1of2 s VAL 12 CO 0.03 0.23 1.06 -0.94 0.00 0.00 0.00 175.10 175.48 1of2 s SER 13 N 1.55 5.56 -0.47 3.32 1.04 -0.17 -1.89 113.70 122.65 1of2 s SER 13 Ca 0.01 1.75 0.06 0.00 0.48 0.00 0.00 55.95 58.26 1of2 s SER 13 Cb -0.15 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.66 1of2 s SER 13 CO -0.08 -1.32 0.63 -2.11 0.98 0.00 0.00 173.24 171.34 1of2 n ARG 14 N -2.49 0.52 -1.63 4.02 1.85 -1.26 -4.10 116.66 113.57 1of2 n ARG 14 Ca 0.08 -2.44 -0.46 0.00 -1.00 0.00 0.00 57.85 54.03 1of2 n ARG 14 Cb 0.53 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.43 1of2 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1of2 n PRO 15 N 2.41 1.66 -0.46 2.89 -0.02 -1.26 -1.06 135.00 139.15 1of2 n PRO 15 Ca 0.20 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1of2 n PRO 15 Cb 0.55 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1of2 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1of2 n GLY 16 N 1.75 1.45 1.81 -1.23 0.00 -1.26 -4.84 105.19 102.86 1of2 n GLY 16 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1of2 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of2 n ARG 17 N -2.00 1.26 0.00 1.61 1.74 -0.23 -5.12 116.66 113.93 1of2 n ARG 17 Ca 0.00 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1of2 n ARG 17 Cb 0.00 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1of2 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1of2 n GLY 18 N -0.27 -1.11 3.81 -0.13 0.00 -1.25 -4.89 105.19 101.36 1of2 n GLY 18 Ca 0.13 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1of2 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1of2 s GLU 19 N 0.00 3.91 0.30 1.61 2.02 -1.26 -4.62 118.70 120.66 1of2 s GLU 19 Ca 0.00 1.20 -0.28 0.00 0.02 0.00 0.00 54.97 55.90 1of2 s GLU 19 Cb 0.00 -2.12 -0.14 0.00 0.10 0.00 0.00 34.13 31.97 1of2 s GLU 19 CO 0.00 -0.32 1.10 -2.30 0.02 0.00 0.00 175.26 173.76 1of2 n PRO 20 N -1.08 1.59 -2.04 0.39 -0.02 -1.26 -4.79 135.00 127.79 1of2 n PRO 20 Ca 0.08 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1of2 n PRO 20 Cb 0.53 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1of2 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1of2 s ARG 21 N -1.62 4.25 -0.14 -0.52 6.06 -0.79 -4.83 118.95 121.36 1of2 s ARG 21 Ca 0.58 2.22 0.02 0.00 -2.50 0.00 0.00 55.73 56.05 1of2 s ARG 21 Cb -0.66 -3.35 0.01 0.00 0.06 0.00 0.00 34.95 31.01 1of2 s ARG 21 CO 0.60 -0.59 -0.21 0.12 -2.50 0.00 0.00 175.30 172.73 1of2 s PHE 22 N 1.67 2.57 -0.06 5.12 5.36 -1.26 -1.39 117.98 129.99 1of2 s PHE 22 Ca 0.69 -1.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.36 1of2 s PHE 22 Cb -0.39 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1of2 s PHE 22 CO 0.31 -0.61 -0.08 0.42 -1.46 0.00 0.00 175.22 173.80 1of2 s ILE 23 N 0.89 0.78 -0.00 3.12 1.01 -0.31 -1.29 121.20 125.41 1of2 s ILE 23 Ca -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1of2 s ILE 23 Cb -0.15 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1of2 s ILE 23 CO -0.03 0.28 -0.06 0.28 0.00 0.00 0.00 174.94 175.41 1of2 s THR 24 N 0.87 0.51 0.07 2.92 -1.32 -0.47 -1.22 115.64 117.00 1of2 s THR 24 Ca -0.12 -0.30 0.05 0.00 -1.21 0.00 0.00 61.69 60.11 1of2 s THR 24 Cb -0.15 -0.43 -0.03 0.00 -1.51 0.00 0.00 72.50 70.38 1of2 s THR 24 CO 0.01 0.12 -0.14 0.68 -2.21 0.00 0.00 174.62 173.08 1of2 s VAL 25 N -0.20 1.13 -0.05 5.08 -7.23 -0.62 -0.79 120.40 117.73 1of2 s VAL 25 Ca 0.02 -1.32 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1of2 s VAL 25 Cb -0.03 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 1of2 s VAL 25 CO -0.00 -0.22 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.52 1of2 s GLY 26 N -1.75 1.37 0.01 2.32 0.00 -0.45 -1.19 107.32 107.63 1of2 s GLY 26 Ca -0.02 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 43.75 1of2 s GLY 26 CO 0.02 -0.72 -0.25 -0.19 0.00 0.00 0.00 173.10 171.97 1of2 s TYR 27 N -0.39 2.22 -0.21 1.90 2.02 -0.22 -1.13 117.35 121.54 1of2 s TYR 27 Ca 0.03 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 1of2 s TYR 27 Cb -0.12 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1of2 s TYR 27 CO 0.02 0.02 -0.00 0.08 -1.57 0.00 0.00 175.55 174.10 1of2 s VAL 28 N -0.67 3.85 0.00 0.71 1.01 -0.64 -1.21 120.40 123.45 1of2 s VAL 28 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1of2 s VAL 28 Cb -0.10 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1of2 s VAL 28 CO 0.00 0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.99 1of2 n ASP 29 N 4.46 0.00 -1.87 3.32 8.00 -0.06 -1.11 116.55 129.28 1of2 n ASP 29 Ca -0.17 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 1of2 n ASP 29 Cb 0.51 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.85 1of2 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1of2 n ASP 30 N 3.94 3.92 -4.32 -2.24 8.00 -1.26 -4.91 116.55 119.68 1of2 n ASP 30 Ca 0.00 -3.47 -0.36 0.00 0.71 0.00 0.00 54.79 51.68 1of2 n ASP 30 Cb 0.00 -0.75 -0.14 0.00 -0.02 0.00 0.00 41.12 40.21 1of2 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1of2 s THR 31 N -3.16 3.54 0.22 -3.53 2.01 -0.27 -5.01 115.64 109.44 1of2 s THR 31 Ca 0.53 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1of2 s THR 31 Cb 0.44 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 70.18 1of2 s THR 31 CO 0.10 0.32 1.20 -0.22 -0.69 0.00 0.00 174.62 175.33 1of2 s LEU 32 N 1.48 4.46 0.00 4.42 2.96 -1.26 -1.62 118.68 129.12 1of2 s LEU 32 Ca 0.04 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1of2 s LEU 32 Cb -0.15 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1of2 s LEU 32 CO -0.01 -0.37 0.00 2.22 -1.32 0.00 0.00 176.35 176.87 1of2 n PHE 33 N 2.13 0.00 -4.12 5.38 -1.74 -0.28 -4.04 117.46 114.79 1of2 n PHE 33 Ca 0.03 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.84 1of2 n PHE 33 Cb 0.44 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.34 1of2 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1of2 s VAL 34 N -0.87 0.33 -0.07 1.97 -7.23 -1.17 -0.56 120.40 112.79 1of2 s VAL 34 Ca 0.00 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 1of2 s VAL 34 Cb 0.00 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.35 1of2 s VAL 34 CO 0.00 -0.90 0.43 0.00 -0.31 0.00 0.00 175.10 174.32 1of2 s ARG 35 N -3.91 0.70 -0.01 4.82 1.04 -0.99 -1.34 118.95 119.26 1of2 s ARG 35 Ca 0.10 0.15 0.01 0.00 -1.04 0.00 0.00 55.73 54.95 1of2 s ARG 35 Cb 0.07 0.33 0.01 0.00 -2.04 0.00 0.00 34.95 33.32 1of2 s ARG 35 CO -0.07 -0.18 -0.02 0.12 -0.04 0.00 0.00 175.30 175.11 1of2 s PHE 36 N -0.82 0.34 -0.10 5.89 2.19 0.03 -1.46 117.98 124.05 1of2 s PHE 36 Ca -0.09 -0.05 -0.01 0.00 0.33 0.00 0.00 56.93 57.11 1of2 s PHE 36 Cb -0.04 -0.30 0.03 0.00 -1.31 0.00 0.00 43.02 41.41 1of2 s PHE 36 CO 0.04 -0.06 -0.02 0.34 1.83 0.00 0.00 175.22 177.35 1of2 s ASP 37 N 0.35 1.98 0.62 6.13 -1.08 -1.26 -1.37 116.67 122.04 1of2 s ASP 37 Ca -0.03 -0.26 0.41 0.00 -0.52 0.00 0.00 52.55 52.14 1of2 s ASP 37 Cb -0.06 -0.61 2.02 0.00 -1.46 0.00 0.00 42.92 42.81 1of2 s ASP 37 CO -0.01 -0.18 2.22 0.77 0.52 0.00 0.00 175.17 178.50 1of2 h SER 38 N 8.26 0.00 -0.24 -0.34 4.64 -1.59 -2.70 113.55 121.58 1of2 h SER 38 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1of2 h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1of2 h SER 38 CO 0.32 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.75 1of2 n ASP 39 N -3.09 1.94 -4.79 4.97 9.92 -1.26 -4.84 116.55 119.40 1of2 n ASP 39 Ca -0.02 -1.81 -0.31 0.00 -0.53 0.00 0.00 54.79 52.13 1of2 n ASP 39 Cb 0.16 -0.16 0.07 0.00 -0.64 0.00 0.00 41.12 40.56 1of2 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1of2 s ALA 40 N -1.68 2.42 0.03 2.24 0.00 -1.02 -4.99 121.76 118.76 1of2 s ALA 40 Ca 0.31 0.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 1of2 s ALA 40 Cb 0.17 -3.20 -0.16 0.00 0.00 0.00 0.00 23.12 19.93 1of2 s ALA 40 CO 0.25 -1.53 1.44 0.00 0.00 0.00 0.00 175.76 175.92 1of2 h ALA 41 N -0.95 0.09 -2.71 0.00 0.00 -1.91 -3.32 119.26 110.45 1of2 h ALA 41 Ca -0.44 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 53.68 1of2 h ALA 41 Cb 1.23 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.59 1of2 h ALA 41 CO 0.55 -0.23 -0.75 0.45 0.00 0.00 0.00 179.25 179.28 1of2 n SER 42 N -4.85 1.62 -4.73 0.00 2.88 -1.26 -5.10 113.62 102.17 1of2 n SER 42 Ca -0.07 -2.89 -0.42 0.00 -1.33 0.00 0.00 58.87 54.17 1of2 n SER 42 Cb 0.20 -0.67 -0.02 0.00 -0.75 0.00 0.00 64.21 62.97 1of2 n SER 42 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1of2 n PRO 43 N 2.20 2.74 -4.08 -1.46 -0.04 -1.25 -5.02 135.00 128.08 1of2 n PRO 43 Ca 0.24 0.98 -0.10 0.00 -0.04 0.00 0.00 63.50 64.58 1of2 n PRO 43 Cb 0.41 -2.79 -0.11 0.00 -0.04 0.00 0.00 33.50 30.97 1of2 n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1of2 s ARG 44 N 0.29 0.59 0.16 0.54 0.52 -1.26 -5.07 118.95 114.73 1of2 s ARG 44 Ca 0.69 -1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 1of2 s ARG 44 Cb -0.50 -0.08 -0.08 0.00 0.52 0.00 0.00 34.95 34.81 1of2 s ARG 44 CO 0.41 -0.02 1.16 -2.00 0.02 0.00 0.00 175.30 174.86 1of2 s GLU 45 N -2.74 4.52 0.06 3.54 2.12 -1.26 -4.67 118.70 120.27 1of2 s GLU 45 Ca -0.01 1.80 0.09 0.00 0.36 0.00 0.00 54.97 57.21 1of2 s GLU 45 Cb -0.02 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1of2 s GLU 45 CO -0.04 -0.05 -0.23 -1.21 -0.54 0.00 0.00 175.26 173.19 1of2 s GLU 46 N -0.11 1.48 0.52 4.30 2.02 -0.54 -4.93 118.70 121.44 1of2 s GLU 46 Ca 0.52 -1.08 -0.20 0.00 0.02 0.00 0.00 54.97 54.24 1of2 s GLU 46 Cb -0.31 -1.68 -0.06 0.00 0.10 0.00 0.00 34.13 32.18 1of2 s GLU 46 CO 0.35 0.42 1.13 -1.25 0.02 0.00 0.00 175.26 175.93 1of2 s PRO 47 N -1.41 3.46 0.00 0.39 0.04 -1.26 -2.35 135.00 133.86 1of2 s PRO 47 Ca 0.09 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1of2 s PRO 47 Cb -0.09 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1of2 s PRO 47 CO 0.03 -0.77 0.17 0.54 0.04 0.00 0.00 177.00 177.01 1of2 n ARG 48 N -1.13 -0.26 -4.14 4.56 5.12 0.27 -4.90 116.66 116.18 1of2 n ARG 48 Ca 0.11 -0.17 -0.16 0.00 -1.93 0.00 0.00 57.85 55.69 1of2 n ARG 48 Cb 0.51 -0.65 -0.12 0.00 -1.16 0.00 0.00 32.46 31.03 1of2 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1of2 s ALA 49 N -0.01 0.90 0.49 7.54 0.00 -1.25 -4.71 121.76 124.72 1of2 s ALA 49 Ca 0.00 -0.87 0.15 0.00 0.00 0.00 0.00 51.96 51.25 1of2 s ALA 49 Cb 0.00 -0.04 1.16 0.00 0.00 0.00 0.00 23.12 24.24 1of2 s ALA 49 CO 0.00 0.09 2.08 -1.00 0.00 0.00 0.00 175.76 176.93 1of2 h PRO 50 N 4.47 0.00 0.00 0.00 0.13 -1.96 -2.99 132.00 131.65 1of2 h PRO 50 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1of2 h PRO 50 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1of2 h PRO 50 CO 0.41 0.08 0.00 -2.67 -0.23 0.00 0.00 178.00 175.58 1of2 n TRP 51 N -4.45 0.00 0.57 1.56 4.27 -1.26 -2.73 117.44 115.40 1of2 n TRP 51 Ca -0.03 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.69 1of2 n TRP 51 Cb 0.15 -0.47 -0.04 0.00 -1.36 0.00 0.00 31.31 29.60 1of2 n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1of2 n ILE 52 N -1.47 0.11 0.26 -1.67 0.13 -1.13 -4.44 119.36 111.15 1of2 n ILE 52 Ca 0.07 -0.23 0.08 0.00 -1.10 0.00 0.00 62.75 61.57 1of2 n ILE 52 Cb 0.28 0.34 0.65 0.00 -0.84 0.00 0.00 39.64 40.07 1of2 n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1of2 h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.61 -2.09 114.58 125.47 1of2 h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1of2 h GLU 53 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1of2 h GLU 53 CO 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1of2 n GLN 54 N -4.42 0.08 -2.04 2.33 10.64 -1.26 -4.74 117.38 117.98 1of2 n GLN 54 Ca -0.03 0.32 -0.41 0.00 -1.83 0.00 0.00 57.00 55.05 1of2 n GLN 54 Cb 0.11 -1.66 -0.02 0.00 -0.86 0.00 0.00 30.24 27.81 1of2 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1of2 s GLU 55 N -3.13 4.29 1.00 2.61 0.41 -0.79 -4.99 118.70 118.09 1of2 s GLU 55 Ca 0.06 2.28 -0.17 0.00 -0.41 0.00 0.00 54.97 56.73 1of2 s GLU 55 Cb 0.09 -3.10 0.24 0.00 -1.78 0.00 0.00 34.13 29.58 1of2 s GLU 55 CO 0.32 -0.37 1.13 0.41 -0.49 0.00 0.00 175.26 176.26 1of2 n GLY 56 N 1.91 -2.02 0.37 -1.39 0.00 -1.26 -4.86 105.19 97.94 1of2 n GLY 56 Ca 0.05 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1of2 n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1of2 h PRO 57 N 0.00 1.12 -0.69 1.61 0.11 -1.97 -2.19 132.00 129.99 1of2 h PRO 57 Ca -0.39 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1of2 h PRO 57 Cb 1.12 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 1of2 h PRO 57 CO 0.27 0.74 0.46 1.05 -0.21 0.00 0.00 178.00 180.30 1of2 h GLU 58 N 1.15 0.69 -0.16 1.05 9.09 -1.99 -1.42 114.58 122.99 1of2 h GLU 58 Ca 0.43 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.79 1of2 h GLU 58 Cb 0.18 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 1of2 h GLU 58 CO -0.18 0.46 0.05 -0.92 0.05 0.00 0.00 179.01 178.47 1of2 h TYR 59 N 0.71 0.26 -0.11 2.06 3.20 -1.74 -2.50 116.97 118.85 1of2 h TYR 59 Ca 0.30 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.04 1of2 h TYR 59 Cb 0.26 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1of2 h TYR 59 CO -0.00 0.36 -0.38 -1.49 -1.64 0.00 0.00 178.16 175.01 1of2 h TRP 60 N 0.07 0.27 -0.30 -3.82 4.06 -1.38 -2.19 115.95 112.67 1of2 h TRP 60 Ca 0.05 -0.07 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 1of2 h TRP 60 Cb 0.23 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1of2 h TRP 60 CO 0.00 0.59 -0.04 -0.44 -3.56 0.00 0.00 178.44 175.00 1of2 h ASP 61 N 0.20 0.56 -0.49 -3.49 3.32 -1.25 -1.98 116.42 113.29 1of2 h ASP 61 Ca 0.02 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 1of2 h ASP 61 Cb 0.77 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1of2 h ASP 61 CO 0.06 0.76 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.16 1of2 h ARG 62 N 0.34 0.97 -0.51 3.56 2.43 -1.31 -0.01 114.38 119.84 1of2 h ARG 62 Ca 0.08 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1of2 h ARG 62 Cb 0.50 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1of2 h ARG 62 CO 0.02 1.01 0.03 0.93 -1.51 0.00 0.00 179.97 180.45 1of2 h GLU 63 N 0.87 0.88 -0.40 0.20 4.39 -1.43 -0.87 114.58 118.23 1of2 h GLU 63 Ca 0.14 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1of2 h GLU 63 Cb 0.64 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1of2 h GLU 63 CO 0.04 0.90 -0.08 1.15 -1.16 0.00 0.00 179.01 179.86 1of2 h THR 64 N 0.75 1.27 -0.43 1.13 2.02 -1.23 -0.08 112.91 116.34 1of2 h THR 64 Ca 0.15 -1.17 0.03 0.00 0.77 0.00 0.00 66.41 66.19 1of2 h THR 64 Cb 0.48 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1of2 h THR 64 CO 0.02 0.39 0.24 -0.61 0.37 0.00 0.00 175.52 175.93 1of2 h GLN 65 N 0.58 0.47 -0.43 6.66 4.15 -0.87 -0.73 115.11 124.94 1of2 h GLN 65 Ca 0.10 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.52 1of2 h GLN 65 Cb 0.60 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 1of2 h GLN 65 CO 0.04 0.31 0.23 0.82 -1.93 0.00 0.00 178.83 178.30 1of2 h ILE 66 N 0.49 1.00 -0.49 2.39 2.04 -0.95 -1.69 117.51 120.29 1of2 h ILE 66 Ca 0.18 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1of2 h ILE 66 Cb 0.04 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1of2 h ILE 66 CO -0.10 0.08 0.29 0.00 0.00 0.00 0.00 178.15 178.43 1of2 h LYS 68 N 0.65 1.08 -0.23 0.00 1.57 -1.03 -1.92 116.57 116.70 1of2 h LYS 68 Ca 0.17 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 1of2 h LYS 68 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1of2 h LYS 68 CO -0.03 1.05 -0.38 0.00 -0.57 0.00 0.00 179.45 179.52 1of2 h ALA 69 N 1.00 0.93 -0.45 3.86 0.00 -1.00 -2.57 119.26 121.04 1of2 h ALA 69 Ca 0.18 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1of2 h ALA 69 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1of2 h ALA 69 CO 0.03 0.62 0.14 -0.22 0.00 0.00 0.00 179.25 179.82 1of2 h LYS 70 N 0.42 0.69 -0.47 0.00 1.63 -0.85 -2.02 116.57 115.98 1of2 h LYS 70 Ca 0.04 -0.15 0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1of2 h LYS 70 Cb 0.85 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.33 1of2 h LYS 70 CO 0.07 0.67 0.20 0.00 -3.45 0.00 0.00 179.45 176.93 1of2 h ALA 71 N 0.99 0.58 -0.44 5.00 0.00 -1.17 -1.12 119.26 123.10 1of2 h ALA 71 Ca 0.14 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1of2 h ALA 71 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1of2 h ALA 71 CO -0.00 -0.18 -0.14 0.37 0.00 0.00 0.00 179.25 179.29 1of2 h GLN 72 N 0.39 0.82 -0.46 0.00 4.15 -1.36 -1.46 115.11 117.20 1of2 h GLN 72 Ca 0.21 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1of2 h GLN 72 Cb 0.18 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1of2 h GLN 72 CO -0.19 0.91 0.14 1.15 -1.93 0.00 0.00 178.83 178.91 1of2 h THR 73 N 0.73 1.23 -0.62 2.39 2.02 -1.10 -2.56 112.91 114.99 1of2 h THR 73 Ca 0.12 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1of2 h THR 73 Cb 0.65 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1of2 h THR 73 CO 0.05 0.27 0.34 0.44 0.37 0.00 0.00 175.52 176.98 1of2 h ASP 74 N 0.60 0.76 -0.23 4.18 5.19 -0.98 -0.24 116.42 125.70 1of2 h ASP 74 Ca 0.15 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1of2 h ASP 74 Cb 0.28 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1of2 h ASP 74 CO -0.00 0.62 0.10 -0.09 -3.12 0.00 0.00 179.24 176.74 1of2 h ARG 75 N 0.86 0.34 -0.36 3.56 2.43 -1.03 -0.64 114.38 119.55 1of2 h ARG 75 Ca 0.22 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1of2 h ARG 75 Cb 0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1of2 h ARG 75 CO -0.04 0.39 -0.02 1.49 -1.51 0.00 0.00 179.97 180.28 1of2 h GLU 76 N 0.23 0.65 -0.15 0.20 4.57 -1.23 -3.09 114.58 115.76 1of2 h GLU 76 Ca 0.08 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1of2 h GLU 76 Cb 0.17 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1of2 h GLU 76 CO -0.01 0.77 0.00 -0.44 -1.18 0.00 0.00 179.01 178.16 1of2 h ASP 77 N 0.45 0.19 -0.62 1.04 3.32 -0.86 -0.90 116.42 119.03 1of2 h ASP 77 Ca 0.10 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1of2 h ASP 77 Cb 0.50 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1of2 h ASP 77 CO 0.02 0.22 0.06 -0.07 -1.72 0.00 0.00 179.24 177.76 1of2 h LEU 78 N 0.21 1.04 -0.57 1.55 3.38 -1.04 0.81 115.31 120.68 1of2 h LEU 78 Ca 0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1of2 h LEU 78 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1of2 h LEU 78 CO 0.00 1.05 0.15 0.03 0.09 0.00 0.00 178.44 179.76 1of2 h ARG 79 N 0.99 0.91 -0.26 1.13 3.08 -1.28 -2.68 114.38 116.27 1of2 h ARG 79 Ca 0.19 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1of2 h ARG 79 Cb 0.48 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1of2 h ARG 79 CO 0.02 0.84 0.16 1.15 -1.07 0.00 0.00 179.97 181.07 1of2 h THR 80 N 0.81 1.05 -0.12 2.04 2.02 -0.83 -2.77 112.91 115.11 1of2 h THR 80 Ca 0.18 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.27 1of2 h THR 80 Cb 0.33 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1of2 h THR 80 CO 0.00 0.06 0.09 -0.07 0.37 0.00 0.00 175.52 175.97 1of2 h LEU 81 N 0.34 0.03 -0.51 2.58 3.38 -0.71 -1.61 115.31 118.81 1of2 h LEU 81 Ca 0.10 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1of2 h LEU 81 Cb -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1of2 h LEU 81 CO -0.03 0.02 0.15 -0.07 0.09 0.00 0.00 178.44 178.60 1of2 h LEU 82 N 0.04 0.75 0.15 1.67 3.38 -1.19 -2.25 115.31 117.86 1of2 h LEU 82 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1of2 h LEU 82 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1of2 h LEU 82 CO -0.00 0.77 -0.07 0.03 0.09 0.00 0.00 178.44 179.25 1of2 h ARG 83 N 0.69 -0.19 -0.65 1.13 3.08 -1.22 0.11 114.38 117.33 1of2 h ARG 83 Ca 0.16 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.33 1of2 h ARG 83 Cb 0.29 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1of2 h ARG 83 CO -0.00 -0.05 0.44 1.88 -1.07 0.00 0.00 179.97 181.16 1of2 h TYR 84 N -0.29 0.49 -0.50 3.04 -1.99 -1.24 -2.33 116.97 114.14 1of2 h TYR 84 Ca -0.02 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1of2 h TYR 84 Cb 0.23 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1of2 h TYR 84 CO -0.04 0.23 0.00 0.66 -0.00 0.00 0.00 178.16 179.01 1of2 n TYR 85 N -4.48 0.78 -3.80 4.88 4.01 -0.85 -4.80 117.16 112.90 1of2 n TYR 85 Ca 0.11 -0.54 -0.24 0.00 -0.16 0.00 0.00 57.90 57.07 1of2 n TYR 85 Cb 0.39 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.38 1of2 n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1of2 n ASN 86 N 0.89 -2.04 -4.85 7.72 3.02 -0.72 -4.96 115.26 114.32 1of2 n ASN 86 Ca 0.18 -0.84 -0.25 0.00 -0.03 0.00 0.00 54.58 53.64 1of2 n ASN 86 Cb 0.57 -3.85 -0.04 0.00 -0.61 0.00 0.00 39.78 35.84 1of2 n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1of2 s GLN 87 N -6.24 3.08 0.69 3.52 -0.21 -0.05 -5.04 119.66 115.41 1of2 s GLN 87 Ca 0.19 -0.81 -0.13 0.00 0.02 0.00 0.00 55.36 54.63 1of2 s GLN 87 Cb -0.10 -2.74 0.01 0.00 1.00 0.00 0.00 33.01 31.19 1of2 s GLN 87 CO 0.83 0.48 1.09 0.45 -2.12 0.00 0.00 175.29 176.02 1of2 s SER 88 N -3.27 5.06 0.00 5.90 0.15 -1.26 -4.73 113.70 115.55 1of2 s SER 88 Ca 0.32 1.84 0.22 0.00 0.70 0.00 0.00 55.95 59.03 1of2 s SER 88 Cb -0.10 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 62.87 1of2 s SER 88 CO 0.25 -1.66 1.78 -0.62 1.20 0.00 0.00 173.24 174.19 1of2 n GLU 89 N -2.86 1.13 0.02 5.44 1.02 -1.26 -4.33 120.64 119.79 1of2 n GLU 89 Ca 0.09 -0.19 -0.14 0.00 -0.02 0.00 0.00 57.16 56.90 1of2 n GLU 89 Cb 0.53 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.46 1of2 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1of2 h ALA 90 N 3.75 0.52 -2.02 0.62 0.00 -2.00 -3.45 119.26 116.67 1of2 h ALA 90 Ca 0.00 -1.30 -0.46 0.00 0.00 0.00 0.00 54.91 53.15 1of2 h ALA 90 Cb 0.09 0.42 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1of2 h ALA 90 CO 0.00 1.37 -0.19 0.20 0.00 0.00 0.00 179.25 180.63 1of2 s GLY 91 N -5.14 1.53 0.02 0.00 0.00 -1.26 -4.72 107.32 97.75 1of2 s GLY 91 Ca -0.09 -1.16 -0.25 0.00 0.00 0.00 0.00 44.72 43.22 1of2 s GLY 91 CO 0.82 -1.03 0.78 -0.45 0.00 0.00 0.00 173.10 173.22 1of2 s SER 92 N -4.17 7.19 0.25 1.64 0.15 -1.26 -4.68 113.70 112.82 1of2 s SER 92 Ca 0.46 1.43 0.04 0.00 0.70 0.00 0.00 55.95 58.58 1of2 s SER 92 Cb -0.10 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1of2 s SER 92 CO 0.35 -0.05 -0.00 -1.00 1.20 0.00 0.00 173.24 173.75 1of2 s HIS 93 N 0.25 1.64 -0.06 3.44 3.76 -1.26 -4.93 115.29 118.13 1of2 s HIS 93 Ca 0.40 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 1of2 s HIS 93 Cb -0.20 -0.96 0.01 0.00 1.11 0.00 0.00 32.58 32.54 1of2 s HIS 93 CO 0.23 -0.01 -0.13 0.99 -0.85 0.00 0.00 174.74 174.97 1of2 s THR 94 N -3.37 1.16 -0.18 1.30 2.01 -1.26 -1.00 115.64 114.30 1of2 s THR 94 Ca 0.30 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1of2 s THR 94 Cb 0.06 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1of2 s THR 94 CO 0.10 0.36 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.99 1of2 s LEU 95 N 0.57 2.08 0.05 4.42 2.96 0.46 -1.23 118.68 127.99 1of2 s LEU 95 Ca -0.13 -0.65 0.07 0.00 -0.22 0.00 0.00 54.13 53.21 1of2 s LEU 95 Cb -0.15 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1of2 s LEU 95 CO 0.04 -0.03 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.76 1of2 s GLN 96 N 1.33 2.05 -0.03 1.98 -0.21 -0.37 -0.90 119.66 123.52 1of2 s GLN 96 Ca 0.04 -1.00 -0.02 0.00 0.02 0.00 0.00 55.36 54.41 1of2 s GLN 96 Cb -0.13 -2.19 0.02 0.00 1.00 0.00 0.00 33.01 31.70 1of2 s GLN 96 CO -0.12 0.53 0.08 1.21 -2.12 0.00 0.00 175.29 174.87 1of2 s ASN 97 N -1.54 -0.06 0.02 5.90 3.84 -0.62 -1.26 114.94 121.23 1of2 s ASN 97 Ca 0.15 0.16 0.07 0.00 0.21 0.00 0.00 52.86 53.45 1of2 s ASN 97 Cb -0.11 0.12 -0.02 0.00 -0.55 0.00 0.00 41.25 40.69 1of2 s ASN 97 CO 0.06 -0.07 -0.20 -0.32 -2.79 0.00 0.00 177.10 173.78 1of2 s MET 98 N 0.48 1.46 0.14 0.43 -2.45 -0.71 -0.41 119.30 118.24 1of2 s MET 98 Ca -0.04 -0.83 -0.12 0.00 -1.25 0.00 0.00 55.69 53.46 1of2 s MET 98 Cb -0.05 -1.50 0.01 0.00 1.25 0.00 0.00 34.83 34.54 1of2 s MET 98 CO -0.02 0.40 0.32 1.52 1.05 0.00 0.00 175.02 178.29 1of2 s TYR 99 N -0.65 0.09 -5.00 4.11 -0.85 -0.82 -1.25 117.35 112.99 1of2 s TYR 99 Ca 0.07 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 1of2 s TYR 99 Cb -0.08 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.35 1of2 s TYR 99 CO 0.01 -0.70 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 1of2 n GLY 100 N -0.19 -1.55 3.10 5.49 0.00 -1.02 -0.98 105.19 110.03 1of2 n GLY 100 Ca -0.12 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1of2 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1of2 s ASP 102 N -2.01 4.52 0.17 0.00 1.01 0.27 -1.42 116.67 119.21 1of2 s ASP 102 Ca -0.07 -0.07 0.09 0.00 0.71 0.00 0.00 52.55 53.22 1of2 s ASP 102 Cb -0.02 -1.09 -0.04 0.00 1.01 0.00 0.00 42.92 42.77 1of2 s ASP 102 CO -0.04 0.35 -0.20 0.68 0.21 0.00 0.00 175.17 176.18 1of2 s VAL 103 N -0.81 1.93 0.81 -1.27 -7.23 -0.04 -0.57 120.40 113.21 1of2 s VAL 103 Ca 0.13 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1of2 s VAL 103 Cb -0.11 -1.88 0.17 0.00 0.56 0.00 0.00 36.38 35.12 1of2 s VAL 103 CO 0.02 -0.25 1.11 0.61 -0.31 0.00 0.00 175.10 176.28 1of2 n GLY 104 N 0.36 -0.03 0.36 2.32 0.00 -0.95 -1.58 105.19 105.67 1of2 n GLY 104 Ca -0.14 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.09 1of2 n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1of2 h PRO 105 N 0.00 0.28 -0.64 1.61 0.11 -1.89 -0.45 132.00 131.01 1of2 h PRO 105 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1of2 h PRO 105 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1of2 h PRO 105 CO 0.34 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1of2 n ASP 106 N -4.45 3.59 0.00 -2.05 5.68 -1.26 -4.95 116.55 113.10 1of2 n ASP 106 Ca 0.09 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.99 1of2 n ASP 106 Cb 0.43 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1of2 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1of2 n GLY 107 N 0.71 0.52 3.83 6.12 0.00 -0.18 -5.02 105.19 111.18 1of2 n GLY 107 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1of2 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1of2 s ARG 108 N -0.34 4.12 0.06 1.61 0.52 -1.26 -4.81 118.95 118.85 1of2 s ARG 108 Ca 0.00 0.87 -0.36 0.00 -0.52 0.00 0.00 55.73 55.72 1of2 s ARG 108 Cb 0.00 -2.37 -0.15 0.00 0.52 0.00 0.00 34.95 32.95 1of2 s ARG 108 CO 0.00 0.10 1.52 -0.11 0.02 0.00 0.00 175.30 176.83 1of2 n LEU 109 N -0.38 2.42 -0.13 2.53 7.94 -1.26 -2.24 117.00 125.88 1of2 n LEU 109 Ca 0.04 1.09 -0.19 0.00 -1.11 0.00 0.00 56.01 55.84 1of2 n LEU 109 Cb 0.53 -1.29 -0.11 0.00 0.53 0.00 0.00 43.42 43.08 1of2 n LEU 109 CO 0.40 -0.61 -1.33 0.18 -1.11 0.00 0.00 177.39 174.91 1of2 n LEU 110 N 3.55 2.82 -3.61 -1.96 4.77 0.26 -4.83 117.00 117.99 1of2 n LEU 110 Ca 0.19 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1of2 n LEU 110 Cb 0.23 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.39 1of2 n LEU 110 CO 0.66 0.87 0.56 -0.60 -1.33 0.00 0.00 177.39 177.54 1of2 s ARG 111 N -2.50 0.75 0.22 3.23 3.52 -1.17 -4.98 118.95 118.02 1of2 s ARG 111 Ca -0.34 0.67 0.08 0.00 -0.13 0.00 0.00 55.73 56.01 1of2 s ARG 111 Cb 0.10 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 1of2 s ARG 111 CO 0.56 -0.13 0.04 0.20 -0.81 0.00 0.00 175.30 175.16 1of2 s GLY 112 N -0.08 1.64 0.00 8.12 0.00 -1.26 -0.56 107.32 115.18 1of2 s GLY 112 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1of2 s GLY 112 CO 0.00 -1.51 -0.01 -0.19 0.00 0.00 0.00 173.10 171.40 1of2 s TYR 113 N -2.01 0.11 -0.29 1.90 2.02 -0.25 -4.81 117.35 114.02 1of2 s TYR 113 Ca 0.30 -0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1of2 s TYR 113 Cb -0.08 -0.07 0.18 0.00 -0.40 0.00 0.00 41.96 41.59 1of2 s TYR 113 CO 0.20 -0.02 0.56 -1.58 -1.57 0.00 0.00 175.55 173.15 1of2 s HIS 114 N -0.15 -1.51 -0.03 2.71 2.46 -1.26 -2.45 115.29 115.07 1of2 s HIS 114 Ca -0.01 1.45 -0.08 0.00 0.47 0.00 0.00 55.06 56.89 1of2 s HIS 114 Cb -0.01 0.43 0.01 0.00 -0.13 0.00 0.00 32.58 32.88 1of2 s HIS 114 CO -0.00 -0.89 0.18 1.14 -2.47 0.00 0.00 174.74 172.70 1of2 s GLN 115 N 2.80 0.42 0.15 2.88 -2.07 -0.38 -0.26 119.66 123.20 1of2 s GLN 115 Ca 0.18 -0.13 0.10 0.00 -1.82 0.00 0.00 55.36 53.69 1of2 s GLN 115 Cb -0.14 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 31.92 1of2 s GLN 115 CO -0.21 -0.09 -0.21 -1.01 -1.32 0.00 0.00 175.29 172.44 1of2 s HIS 116 N -0.85 2.41 0.01 9.60 3.76 0.32 -1.74 115.29 128.80 1of2 s HIS 116 Ca -0.09 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1of2 s HIS 116 Cb -0.05 -1.25 -0.01 0.00 1.11 0.00 0.00 32.58 32.38 1of2 s HIS 116 CO 0.01 0.42 -0.08 0.00 -0.85 0.00 0.00 174.74 174.24 1of2 s ALA 117 N -1.33 0.65 -0.15 -1.40 0.00 -0.39 -1.55 121.76 117.59 1of2 s ALA 117 Ca 0.18 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1of2 s ALA 117 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1of2 s ALA 117 CO 0.09 0.12 -0.13 -0.47 0.00 0.00 0.00 175.76 175.37 1of2 s TYR 118 N -0.49 2.81 -1.49 0.00 5.04 -0.29 -1.23 117.35 121.70 1of2 s TYR 118 Ca 0.00 -0.91 -0.11 0.00 -2.44 0.00 0.00 57.07 53.60 1of2 s TYR 118 Cb -0.05 -1.90 0.07 0.00 0.35 0.00 0.00 41.96 40.43 1of2 s TYR 118 CO 0.00 -0.40 0.95 -0.25 -1.34 0.00 0.00 175.55 174.51 1of2 n ASP 119 N 3.98 -4.34 0.00 4.32 8.00 -0.36 -2.19 116.55 125.97 1of2 n ASP 119 Ca -0.19 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1of2 n ASP 119 Cb 0.52 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 1of2 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1of2 n GLY 120 N -1.70 0.81 3.46 0.44 0.00 -1.26 -5.02 105.19 101.92 1of2 n GLY 120 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1of2 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of2 s LYS 121 N -0.04 1.80 0.05 1.61 1.02 -0.93 -5.09 119.74 118.15 1of2 s LYS 121 Ca 0.00 -1.15 -0.38 0.00 0.02 0.00 0.00 55.97 54.46 1of2 s LYS 121 Cb 0.00 -2.09 -0.19 0.00 -0.52 0.00 0.00 37.83 35.03 1of2 s LYS 121 CO 0.00 0.49 1.14 -0.25 -0.92 0.00 0.00 175.35 175.81 1of2 n ASP 122 N 1.07 0.54 0.00 2.83 8.00 -1.26 -1.14 116.55 126.59 1of2 n ASP 122 Ca -0.16 1.14 -0.00 0.00 0.71 0.00 0.00 54.79 56.48 1of2 n ASP 122 Cb 0.53 -1.02 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1of2 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1of2 n TYR 123 N 1.76 0.00 -3.82 1.24 9.36 -0.59 -4.70 117.16 120.41 1of2 n TYR 123 Ca 0.19 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.29 1of2 n TYR 123 Cb 0.13 -0.02 -0.12 0.00 -0.63 0.00 0.00 39.34 38.70 1of2 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1of2 s ILE 124 N -1.23 0.00 -0.03 2.97 2.07 -1.21 -1.54 121.20 122.24 1of2 s ILE 124 Ca -0.01 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1of2 s ILE 124 Cb 0.00 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.35 1of2 s ILE 124 CO 0.02 -0.02 -0.07 0.00 -1.91 0.00 0.00 174.94 172.96 1of2 s ALA 125 N 0.00 0.70 0.20 1.50 0.00 -0.48 -0.52 121.76 123.16 1of2 s ALA 125 Ca -0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 1of2 s ALA 125 Cb -0.02 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.70 1of2 s ALA 125 CO 0.00 0.09 1.51 -1.17 0.00 0.00 0.00 175.76 176.19 1of2 s LEU 126 N 0.34 4.38 0.75 0.00 2.96 0.64 -1.29 118.68 126.46 1of2 s LEU 126 Ca -0.05 2.63 -0.11 0.00 -0.22 0.00 0.00 54.13 56.38 1of2 s LEU 126 Cb -0.09 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1of2 s LEU 126 CO 0.00 -0.77 1.08 0.20 -1.32 0.00 0.00 176.35 175.55 1of2 s ASN 127 N 0.81 4.93 0.59 3.68 0.01 -0.02 -4.57 114.94 120.37 1of2 s ASN 127 Ca 0.65 1.39 0.29 0.00 -0.71 0.00 0.00 52.86 54.48 1of2 s ASN 127 Cb -0.43 -2.19 1.76 0.00 0.41 0.00 0.00 41.25 40.81 1of2 s ASN 127 CO 0.36 -1.70 2.23 -0.08 -1.51 0.00 0.00 177.10 176.40 1of2 h GLU 128 N -0.90 0.00 0.00 -0.60 4.81 -1.88 0.18 114.58 116.20 1of2 h GLU 128 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1of2 h GLU 128 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1of2 h GLU 128 CO 0.59 0.00 0.00 0.38 -0.73 0.00 0.00 179.01 179.25 1of2 h ASP 129 N 0.00 0.00 -3.09 1.04 3.04 -1.92 -3.44 116.42 112.05 1of2 h ASP 129 Ca 0.01 0.00 -0.41 0.00 -3.24 0.00 0.00 57.03 53.39 1of2 h ASP 129 Cb 0.08 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.35 1of2 h ASP 129 CO -0.00 0.00 -0.54 0.18 -2.04 0.00 0.00 179.24 176.84 1of2 n LEU 130 N -2.47 -1.96 0.00 0.15 4.77 0.63 -4.80 117.00 113.32 1of2 n LEU 130 Ca -0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1of2 n LEU 130 Cb 0.15 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.30 1of2 n LEU 130 CO 0.17 -0.20 0.00 -1.54 -1.33 0.00 0.00 177.39 174.49 1of2 n SER 131 N -2.03 0.00 -4.18 -1.43 3.41 -1.26 -4.49 113.62 103.63 1of2 n SER 131 Ca -0.24 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1of2 n SER 131 Cb 0.68 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 1of2 n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1of2 s SER 132 N 0.00 0.37 0.11 4.04 1.04 -1.26 -4.89 113.70 113.10 1of2 s SER 132 Ca 0.00 -1.28 0.09 0.00 0.48 0.00 0.00 55.95 55.24 1of2 s SER 132 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1of2 s SER 132 CO 0.00 -0.76 -0.22 0.26 0.98 0.00 0.00 173.24 173.51 1of2 s TRP 133 N -4.04 1.88 -0.27 5.02 0.52 -1.26 -0.84 118.94 119.94 1of2 s TRP 133 Ca 0.30 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 56.00 1of2 s TRP 133 Cb 0.07 -1.02 0.04 0.00 -1.15 0.00 0.00 33.47 31.41 1of2 s TRP 133 CO 0.06 0.24 -0.05 0.99 0.02 0.00 0.00 176.95 178.20 1of2 s THR 134 N -1.19 2.73 -0.10 2.01 2.01 -0.41 -4.89 115.64 115.80 1of2 s THR 134 Ca 0.08 -1.31 -0.11 0.00 0.31 0.00 0.00 61.69 60.67 1of2 s THR 134 Cb -0.10 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1of2 s THR 134 CO 0.05 0.03 0.24 0.00 -0.69 0.00 0.00 174.62 174.26 1of2 s ALA 135 N 1.24 3.75 -0.31 7.40 0.00 -1.26 -1.39 121.76 131.19 1of2 s ALA 135 Ca -0.04 -0.49 0.22 0.00 0.00 0.00 0.00 51.96 51.65 1of2 s ALA 135 Cb -0.19 -2.19 0.15 0.00 0.00 0.00 0.00 23.12 20.89 1of2 s ALA 135 CO -0.03 0.42 1.32 0.00 0.00 0.00 0.00 175.76 177.47 1of2 h ALA 136 N 5.44 0.75 -2.77 0.00 0.00 -1.56 -3.47 119.26 117.65 1of2 h ALA 136 Ca -0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1of2 h ALA 136 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1of2 h ALA 136 CO 0.64 0.12 0.26 -0.40 0.00 0.00 0.00 179.25 179.87 1of2 n ASP 137 N -2.93 -1.85 0.25 0.00 5.68 -1.26 -5.05 116.55 111.38 1of2 n ASP 137 Ca 0.01 -2.25 0.13 0.00 -0.50 0.00 0.00 54.79 52.19 1of2 n ASP 137 Cb 0.58 3.08 0.58 0.00 -1.14 0.00 0.00 41.12 44.21 1of2 n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1of2 h THR 138 N 1.82 0.35 0.21 2.12 1.35 -1.99 -2.12 112.91 114.65 1of2 h THR 138 Ca -0.27 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 1of2 h THR 138 Cb 1.02 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1of2 h THR 138 CO 0.35 0.13 -0.10 0.00 -0.25 0.00 0.00 175.52 175.64 1of2 h ALA 139 N 1.87 -0.28 0.00 6.62 0.00 -1.97 -3.13 119.26 122.36 1of2 h ALA 139 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1of2 h ALA 139 Cb 0.61 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1of2 h ALA 139 CO 0.02 -0.49 -0.08 0.00 0.00 0.00 0.00 179.25 178.70 1of2 h ALA 140 N 0.07 1.84 0.00 0.00 0.00 -1.80 -1.22 119.26 118.15 1of2 h ALA 140 Ca -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1of2 h ALA 140 Cb 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1of2 h ALA 140 CO 0.05 0.10 -0.15 1.96 0.00 0.00 0.00 179.25 181.21 1of2 h GLN 141 N 0.00 0.00 -0.46 0.00 4.20 -1.38 0.10 115.11 117.56 1of2 h GLN 141 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1of2 h GLN 141 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1of2 h GLN 141 CO 0.01 0.15 0.10 0.82 -0.67 0.00 0.00 178.83 179.24 1of2 h ILE 142 N 0.00 1.24 -0.48 2.54 1.08 -1.17 -1.93 117.51 118.80 1of2 h ILE 142 Ca -0.00 -0.86 -0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1of2 h ILE 142 Cb 0.27 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1of2 h ILE 142 CO 0.02 0.30 0.29 0.74 -0.69 0.00 0.00 178.15 178.81 1of2 h THR 143 N 0.63 1.15 -0.63 -0.27 2.02 -1.37 -2.75 112.91 111.69 1of2 h THR 143 Ca 0.14 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 67.06 1of2 h THR 143 Cb 0.35 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1of2 h THR 143 CO 0.00 0.15 0.32 -0.61 0.37 0.00 0.00 175.52 175.75 1of2 h GLN 144 N 0.64 0.56 -0.42 6.66 4.15 -0.70 0.28 115.11 126.28 1of2 h GLN 144 Ca 0.17 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1of2 h GLN 144 Cb -0.01 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1of2 h GLN 144 CO -0.03 0.37 0.19 0.00 -1.93 0.00 0.00 178.83 177.44 1of2 h ARG 145 N 0.58 0.61 -0.64 1.69 3.08 -1.27 -0.03 114.38 118.39 1of2 h ARG 145 Ca 0.30 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1of2 h ARG 145 Cb 0.25 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1of2 h ARG 145 CO -0.22 0.54 0.37 0.87 -1.07 0.00 0.00 179.97 180.46 1of2 h LYS 146 N 0.54 0.88 -0.01 0.04 1.57 -1.16 -1.78 116.57 116.64 1of2 h LYS 146 Ca 0.14 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1of2 h LYS 146 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1of2 h LYS 146 CO -0.02 0.65 -0.66 -1.49 -0.57 0.00 0.00 179.45 177.35 1of2 h TRP 147 N 0.87 0.05 -0.26 -1.35 4.06 -0.73 -1.96 115.95 116.63 1of2 h TRP 147 Ca 0.23 -0.02 -0.18 0.00 2.06 0.00 0.00 58.89 60.98 1of2 h TRP 147 Cb 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1of2 h TRP 147 CO -0.01 0.69 -0.55 0.93 -3.56 0.00 0.00 178.44 175.93 1of2 h GLU 148 N 0.02 0.80 -0.31 0.49 5.08 -0.92 -0.88 114.58 118.86 1of2 h GLU 148 Ca -0.01 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 1of2 h GLU 148 Cb 1.18 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1of2 h GLU 148 CO 0.09 1.14 -0.09 0.00 -1.00 0.00 0.00 179.01 179.15 1of2 h ALA 149 N 0.76 1.27 -0.30 3.43 0.00 -1.07 -2.78 119.26 120.57 1of2 h ALA 149 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1of2 h ALA 149 Cb 1.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1of2 h ALA 149 CO 0.12 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1of2 n ALA 150 N -2.48 2.47 -3.92 0.00 0.00 -0.76 -4.96 120.51 110.86 1of2 n ALA 150 Ca 0.01 -0.72 -0.28 0.00 0.00 0.00 0.00 53.44 52.44 1of2 n ALA 150 Cb 0.30 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.76 1of2 n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1of2 n ARG 151 N 0.78 -4.45 -0.29 0.00 1.74 -0.87 -4.88 116.66 108.69 1of2 n ARG 151 Ca 0.17 0.52 -0.05 0.00 -0.77 0.00 0.00 57.85 57.72 1of2 n ARG 151 Cb 0.42 -5.12 0.07 0.00 -1.02 0.00 0.00 32.46 26.81 1of2 n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1of2 h VAL 152 N -1.88 1.24 -0.82 1.55 2.07 -1.47 -3.07 116.25 113.87 1of2 h VAL 152 Ca -0.60 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.37 1of2 h VAL 152 Cb 1.37 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1of2 h VAL 152 CO 0.65 0.27 0.52 0.00 0.02 0.00 0.00 177.57 179.03 1of2 h ALA 153 N 1.23 1.10 -0.77 1.67 0.00 -1.90 0.03 119.26 120.62 1of2 h ALA 153 Ca 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1of2 h ALA 153 Cb 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1of2 h ALA 153 CO -0.04 0.30 0.36 0.93 0.00 0.00 0.00 179.25 180.79 1of2 h GLU 154 N 0.98 1.11 -0.33 0.00 3.07 -1.76 -0.04 114.58 117.61 1of2 h GLU 154 Ca 0.34 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1of2 h GLU 154 Cb 0.08 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1of2 h GLU 154 CO -0.14 0.87 -0.06 1.96 -1.40 0.00 0.00 179.01 180.24 1of2 h GLN 155 N 1.10 0.62 -0.80 2.33 4.20 -1.21 -2.37 115.11 118.99 1of2 h GLN 155 Ca 0.27 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1of2 h GLN 155 Cb 0.13 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1of2 h GLN 155 CO -0.03 0.78 0.31 -0.07 -0.67 0.00 0.00 178.83 179.15 1of2 h LEU 156 N 0.40 1.11 -1.10 1.46 3.38 -0.80 -2.65 115.31 117.11 1of2 h LEU 156 Ca 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1of2 h LEU 156 Cb 0.54 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1of2 h LEU 156 CO 0.03 0.98 0.55 -0.09 0.09 0.00 0.00 178.44 180.00 1of2 h ARG 157 N 1.16 1.16 -0.49 1.13 2.43 -0.89 -0.93 114.38 117.96 1of2 h ARG 157 Ca 0.26 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1of2 h ARG 157 Cb 0.23 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1of2 h ARG 157 CO -0.02 0.79 -0.12 0.00 -1.51 0.00 0.00 179.97 179.11 1of2 h ALA 158 N 1.42 0.87 -0.14 2.80 0.00 -1.11 -1.87 119.26 121.22 1of2 h ALA 158 Ca 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1of2 h ALA 158 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1of2 h ALA 158 CO -0.06 0.64 0.01 -0.92 0.00 0.00 0.00 179.25 178.92 1of2 h TYR 159 N 0.81 0.26 -0.30 0.00 3.20 -1.14 -2.66 116.97 117.14 1of2 h TYR 159 Ca 0.13 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 1of2 h TYR 159 Cb 0.65 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1of2 h TYR 159 CO 0.04 0.45 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.58 1of2 h LEU 160 N -0.01 0.71 0.00 2.82 3.38 -1.05 -1.54 115.31 119.62 1of2 h LEU 160 Ca 0.04 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1of2 h LEU 160 Cb 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1of2 h LEU 160 CO 0.01 1.00 -0.21 -0.33 0.09 0.00 0.00 178.44 179.00 1of2 h GLU 161 N 0.57 0.00 0.00 1.13 5.08 -1.44 -3.33 114.58 116.59 1of2 h GLU 161 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1of2 h GLU 161 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1of2 h GLU 161 CO 0.08 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.50 1of2 n GLY 162 N 1.19 0.21 0.34 -3.84 0.00 -1.00 -4.73 105.19 97.36 1of2 n GLY 162 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1of2 n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1of2 h GLU 163 N 0.00 1.11 -0.14 1.61 5.08 -1.59 -1.47 114.58 119.17 1of2 h GLU 163 Ca 0.00 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1of2 h GLU 163 Cb 0.00 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 1of2 h GLU 163 CO 0.00 0.73 -0.12 0.00 -1.00 0.00 0.00 179.01 178.63 1of2 h VAL 165 N -0.13 1.29 -0.64 0.00 2.07 -1.59 -0.99 116.25 116.26 1of2 h VAL 165 Ca 0.09 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.17 1of2 h VAL 165 Cb 0.27 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1of2 h VAL 165 CO -0.22 0.45 0.09 -0.33 0.02 0.00 0.00 177.57 177.58 1of2 h GLU 166 N 0.54 1.06 0.07 1.57 5.08 -1.09 -0.84 114.58 120.97 1of2 h GLU 166 Ca 0.07 -0.29 -0.26 0.00 -1.00 0.00 0.00 59.36 57.88 1of2 h GLU 166 Cb 0.78 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1of2 h GLU 166 CO 0.06 0.99 -1.11 -1.49 -1.00 0.00 0.00 179.01 176.46 1of2 h TRP 167 N 0.98 0.72 -0.87 4.33 4.06 -0.92 -2.55 115.95 121.71 1of2 h TRP 167 Ca 0.19 -0.44 0.10 0.00 2.06 0.00 0.00 58.89 60.80 1of2 h TRP 167 Cb 0.45 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 28.48 1of2 h TRP 167 CO 0.03 1.29 0.56 1.25 -3.56 0.00 0.00 178.44 178.02 1of2 h LEU 168 N 0.21 0.75 -0.35 -4.49 5.85 -0.99 -1.26 115.31 115.03 1of2 h LEU 168 Ca -0.13 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.44 1of2 h LEU 168 Cb 1.78 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1of2 h LEU 168 CO 0.20 0.44 -0.53 -0.09 -0.34 0.00 0.00 178.44 178.12 1of2 h ARG 169 N 0.83 0.83 -0.07 1.25 2.43 -1.06 -1.64 114.38 116.95 1of2 h ARG 169 Ca 0.40 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1of2 h ARG 169 Cb 0.45 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1of2 h ARG 169 CO -0.17 1.15 0.05 -0.09 -1.51 0.00 0.00 179.97 179.39 1of2 h ARG 170 N 0.64 0.09 -0.83 0.20 2.43 -1.04 -2.61 114.38 113.26 1of2 h ARG 170 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1of2 h ARG 170 Cb 1.12 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 1of2 h ARG 170 CO 0.12 0.07 0.50 1.88 -1.51 0.00 0.00 179.97 181.02 1of2 h TYR 171 N 0.09 1.10 -0.64 2.20 0.05 -1.09 -1.26 116.97 117.42 1of2 h TYR 171 Ca 0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1of2 h TYR 171 Cb -0.00 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.34 1of2 h TYR 171 CO -0.07 0.74 0.30 -0.07 -1.05 0.00 0.00 178.16 178.01 1of2 h LEU 172 N 1.15 0.82 0.07 3.88 3.38 -1.21 0.38 115.31 123.78 1of2 h LEU 172 Ca 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1of2 h LEU 172 Cb -0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1of2 h LEU 172 CO -0.06 0.71 -0.04 -0.08 0.09 0.00 0.00 178.44 179.07 1of2 h GLU 173 N 0.91 -0.09 -0.07 1.13 4.57 -1.09 -2.26 114.58 117.68 1of2 h GLU 173 Ca 0.22 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1of2 h GLU 173 Cb 0.11 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1of2 h GLU 173 CO -0.03 0.42 -0.10 -0.91 -1.18 0.00 0.00 179.01 177.21 1of2 h ASN 174 N -0.68 0.10 -0.61 1.04 2.35 -1.06 -2.77 115.58 113.95 1of2 h ASN 174 Ca -0.01 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 1of2 h ASN 174 Cb 0.56 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.81 1of2 h ASN 174 CO 0.02 0.21 0.17 0.61 -1.65 0.00 0.00 177.43 176.79 1of2 n GLY 175 N -1.11 3.78 0.27 2.83 0.00 0.11 -4.75 105.19 106.32 1of2 n GLY 175 Ca -0.02 -1.02 0.18 0.00 0.00 0.00 0.00 46.02 45.16 1of2 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1of2 h LYS 176 N 2.52 0.00 -0.74 1.61 2.10 -1.10 -0.27 116.57 120.68 1of2 h LYS 176 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1of2 h LYS 176 Cb 2.10 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.39 1of2 h LYS 176 CO 0.60 0.00 0.47 1.49 -2.00 0.00 0.00 179.45 180.01 1of2 h GLU 177 N 0.00 0.99 0.00 0.07 4.81 -1.86 -3.17 114.58 115.41 1of2 h GLU 177 Ca 0.00 -0.07 -0.33 0.00 -0.13 0.00 0.00 59.36 58.83 1of2 h GLU 177 Cb 0.19 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1of2 h GLU 177 CO 0.00 0.67 -2.14 0.25 -0.73 0.00 0.00 179.01 177.06 1of2 n THR 178 N -4.55 1.13 0.19 0.32 -2.24 -0.76 -4.42 114.28 103.96 1of2 n THR 178 Ca 0.07 -0.34 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1of2 n THR 178 Cb 0.03 -1.57 0.39 0.00 -2.10 0.00 0.00 70.33 67.08 1of2 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1of2 h LEU 179 N -0.48 0.00 -3.72 3.22 3.38 -1.26 -2.70 115.31 113.74 1of2 h LEU 179 Ca -0.49 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.11 1of2 h LEU 179 Cb 1.53 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 42.07 1of2 h LEU 179 CO -0.23 0.35 0.34 0.00 0.09 0.00 0.00 178.44 178.99 1of2 n GLN 180 N -4.01 2.19 -3.98 1.13 6.02 -1.20 -4.88 117.38 112.65 1of2 n GLN 180 Ca -0.02 -3.08 -0.25 0.00 -0.01 0.00 0.00 57.00 53.64 1of2 n GLN 180 Cb 0.40 -2.04 -0.17 0.00 1.02 0.00 0.00 30.24 29.45 1of2 n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1of2 s ARG 181 N -3.26 1.34 -0.21 -1.09 3.52 -1.02 -4.98 118.95 113.25 1of2 s ARG 181 Ca 0.52 -0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.80 1of2 s ARG 181 Cb 0.45 -1.40 -0.05 0.00 -1.56 0.00 0.00 34.95 32.39 1of2 s ARG 181 CO 0.07 -0.22 0.21 0.00 -0.81 0.00 0.00 175.30 174.55 1of2 s ALA 182 N 1.57 3.62 -0.28 6.12 0.00 -1.26 -4.76 121.76 126.76 1of2 s ALA 182 Ca 0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 1of2 s ALA 182 Cb -0.13 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1of2 s ALA 182 CO -0.06 -0.04 0.34 -0.51 0.00 0.00 0.00 175.76 175.49 1of2 s ASP 183 N 0.72 6.20 0.65 0.00 1.01 0.22 -4.69 116.67 120.79 1of2 s ASP 183 Ca 0.11 0.15 -0.16 0.00 0.71 0.00 0.00 52.55 53.37 1of2 s ASP 183 Cb -0.13 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 1of2 s ASP 183 CO 0.03 -0.19 1.13 -2.16 0.21 0.00 0.00 175.17 174.19 1of2 s PRO 184 N 2.02 2.81 0.45 8.23 0.04 -1.26 -1.60 135.00 145.68 1of2 s PRO 184 Ca 0.13 1.50 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 1of2 s PRO 184 Cb -0.16 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1of2 s PRO 184 CO 0.10 -1.26 1.23 -1.25 0.04 0.00 0.00 177.00 175.86 1of2 s PRO 185 N -3.89 3.78 -0.11 0.56 0.04 -1.26 -4.40 135.00 129.73 1of2 s PRO 185 Ca 0.70 1.95 -0.21 0.00 0.04 0.00 0.00 61.00 63.47 1of2 s PRO 185 Cb -0.23 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1of2 s PRO 185 CO 0.39 -0.58 0.63 0.15 0.04 0.00 0.00 177.00 177.63 1of2 s LYS 186 N -2.53 4.36 0.08 4.56 1.02 0.24 -4.84 119.74 122.64 1of2 s LYS 186 Ca 0.62 0.71 0.07 0.00 0.02 0.00 0.00 55.97 57.39 1of2 s LYS 186 Cb -0.33 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 1of2 s LYS 186 CO 0.41 0.02 -0.18 0.95 -0.92 0.00 0.00 175.35 175.63 1of2 s THR 187 N 1.01 1.46 0.06 2.17 -4.23 -1.26 -1.28 115.64 113.57 1of2 s THR 187 Ca 0.33 -1.40 -0.27 0.00 -1.18 0.00 0.00 61.69 59.17 1of2 s THR 187 Cb -0.17 -1.34 0.09 0.00 1.34 0.00 0.00 72.50 72.42 1of2 s THR 187 CO 0.14 -0.09 0.91 -1.38 -0.54 0.00 0.00 174.62 173.66 1of2 s HIS 188 N -1.15 -0.27 -0.15 3.99 -3.43 -1.20 -5.00 115.29 108.08 1of2 s HIS 188 Ca 0.03 0.07 -0.01 0.00 -0.80 0.00 0.00 55.06 54.35 1of2 s HIS 188 Cb -0.10 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.61 1of2 s HIS 188 CO 0.03 -0.65 -0.10 0.08 -2.00 0.00 0.00 174.74 172.10 1of2 s VAL 189 N -3.19 3.23 0.31 -5.38 1.01 -1.26 -1.22 120.40 113.90 1of2 s VAL 189 Ca 0.08 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1of2 s VAL 189 Cb -0.01 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1of2 s VAL 189 CO -0.05 0.50 0.27 0.42 0.00 0.00 0.00 175.10 176.24 1of2 s THR 190 N 0.62 3.88 -0.11 3.92 -4.23 -0.78 -4.72 115.64 114.23 1of2 s THR 190 Ca -0.06 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1of2 s THR 190 Cb -0.15 -3.28 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1of2 s THR 190 CO 0.03 -0.23 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.51 1of2 s HIS 191 N -2.24 1.50 -0.38 3.99 2.46 -1.26 -1.51 115.29 117.86 1of2 s HIS 191 Ca 0.38 -0.72 0.01 0.00 0.47 0.00 0.00 55.06 55.21 1of2 s HIS 191 Cb -0.07 -1.22 0.11 0.00 -0.13 0.00 0.00 32.58 31.28 1of2 s HIS 191 CO 0.26 -0.48 0.15 -1.01 -2.47 0.00 0.00 174.74 171.20 1of2 s HIS 192 N 1.51 2.29 -0.05 3.88 3.76 0.50 -4.94 115.29 122.24 1of2 s HIS 192 Ca 0.02 -2.32 -0.39 0.00 -0.15 0.00 0.00 55.06 52.21 1of2 s HIS 192 Cb -0.13 -2.08 -0.18 0.00 1.11 0.00 0.00 32.58 31.30 1of2 s HIS 192 CO -0.06 -0.85 1.34 -2.30 -0.85 0.00 0.00 174.74 172.02 1of2 n PRO 193 N 4.14 0.67 -0.09 8.40 -0.02 -1.26 -1.02 135.00 145.83 1of2 n PRO 193 Ca 0.03 0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 61.53 1of2 n PRO 193 Cb 0.39 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 31.91 1of2 n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1of2 n ILE 194 N 2.64 1.59 -3.95 4.25 5.41 -0.68 -4.86 119.36 123.76 1of2 n ILE 194 Ca 0.21 -0.38 -0.12 0.00 1.00 0.00 0.00 62.75 63.46 1of2 n ILE 194 Cb 0.12 -1.81 -0.01 0.00 -0.71 0.00 0.00 39.64 37.23 1of2 n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1of2 n SER 195 N -3.91 -1.51 0.33 4.38 3.41 -1.01 -5.00 113.62 110.30 1of2 n SER 195 Ca -0.40 -2.70 0.21 0.00 -0.26 0.00 0.00 58.87 55.72 1of2 n SER 195 Cb 0.89 2.71 1.11 0.00 -0.26 0.00 0.00 64.21 68.66 1of2 n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1of2 h ASP 196 N 1.85 0.00 0.56 4.04 2.03 -2.04 -3.22 116.42 119.64 1of2 h ASP 196 Ca -0.27 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 55.84 1of2 h ASP 196 Cb 1.13 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.59 1of2 h ASP 196 CO 0.36 0.00 -1.59 1.41 -1.03 0.00 0.00 179.24 178.40 1of2 n HIS 197 N -3.17 0.80 -3.92 4.15 8.25 -1.26 -4.73 115.22 115.34 1of2 n HIS 197 Ca -0.02 0.27 -0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1of2 n HIS 197 Cb 0.11 -1.04 -0.05 0.00 1.12 0.00 0.00 29.99 30.13 1of2 n HIS 197 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1of2 s GLU 198 N -2.90 1.46 0.04 -0.41 -1.05 -1.22 -1.34 118.70 113.29 1of2 s GLU 198 Ca -0.04 -1.12 -0.17 0.00 -0.15 0.00 0.00 54.97 53.48 1of2 s GLU 198 Cb 0.09 0.48 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 1of2 s GLU 198 CO 0.82 -0.60 0.39 0.00 0.95 0.00 0.00 175.26 176.81 1of2 s ALA 199 N -3.97 -0.94 -0.15 -0.84 0.00 -0.63 -1.69 121.76 113.54 1of2 s ALA 199 Ca 0.17 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 1of2 s ALA 199 Cb -0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1of2 s ALA 199 CO 0.04 -0.45 0.49 0.99 0.00 0.00 0.00 175.76 176.83 1of2 s THR 200 N -2.49 5.16 -0.28 0.00 2.01 -0.19 -1.25 115.64 118.61 1of2 s THR 200 Ca -0.05 0.94 -0.13 0.00 0.31 0.00 0.00 61.69 62.75 1of2 s THR 200 Cb -0.01 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1of2 s THR 200 CO -0.03 0.26 0.30 -0.76 -0.69 0.00 0.00 174.62 173.71 1of2 s LEU 201 N 1.05 4.08 -0.23 4.42 1.43 -0.42 -0.37 118.68 128.65 1of2 s LEU 201 Ca 0.25 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1of2 s LEU 201 Cb -0.15 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1of2 s LEU 201 CO 0.10 -0.15 -0.01 -0.60 0.23 0.00 0.00 176.35 175.92 1of2 s ARG 202 N 1.93 3.47 -0.24 1.70 3.52 -0.57 -1.72 118.95 127.04 1of2 s ARG 202 Ca 0.11 -0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 55.01 1of2 s ARG 202 Cb -0.16 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1of2 s ARG 202 CO 0.11 -0.18 0.27 0.00 -0.81 0.00 0.00 175.30 174.69 1of2 s TRP 204 N 1.43 3.35 -0.14 0.00 0.52 -0.36 -1.64 118.94 122.11 1of2 s TRP 204 Ca 0.12 0.27 -0.01 0.00 0.02 0.00 0.00 56.10 56.50 1of2 s TRP 204 Cb -0.15 -1.79 0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1of2 s TRP 204 CO 0.07 0.58 -0.04 0.00 0.02 0.00 0.00 176.95 177.59 1of2 s ALA 205 N -1.15 1.26 0.08 0.98 0.00 -0.17 -3.24 121.76 119.52 1of2 s ALA 205 Ca 0.21 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.60 1of2 s ALA 205 Cb -0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1of2 s ALA 205 CO 0.12 -0.71 -0.18 -0.51 0.00 0.00 0.00 175.76 174.49 1of2 s LEU 206 N 1.73 2.27 -0.45 0.00 1.43 -0.41 -1.44 118.68 121.82 1of2 s LEU 206 Ca 0.02 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1of2 s LEU 206 Cb -0.14 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1of2 s LEU 206 CO -0.07 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1of2 n GLY 207 N 1.28 0.50 3.89 -3.19 0.00 -0.99 -0.59 105.19 106.10 1of2 n GLY 207 Ca -0.20 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1of2 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1of2 s PHE 208 N -2.20 3.44 -0.14 1.61 -0.71 -1.14 -4.68 117.98 114.16 1of2 s PHE 208 Ca 0.00 0.19 -0.09 0.00 -1.04 0.00 0.00 56.93 55.99 1of2 s PHE 208 Cb 0.00 -1.71 0.05 0.00 -1.21 0.00 0.00 43.02 40.14 1of2 s PHE 208 CO 0.00 0.56 0.35 -0.47 -1.34 0.00 0.00 175.22 174.32 1of2 s TYR 209 N -1.53 -0.45 0.71 3.49 5.04 -0.63 -1.28 117.35 122.70 1of2 s TYR 209 Ca 0.34 1.03 -0.12 0.00 -2.44 0.00 0.00 57.07 55.88 1of2 s TYR 209 Cb -0.12 0.16 0.17 0.00 0.35 0.00 0.00 41.96 42.52 1of2 s TYR 209 CO 0.27 -0.26 0.78 -0.35 -1.34 0.00 0.00 175.55 174.65 1of2 n PRO 210 N 3.74 -1.61 0.02 4.97 -0.04 -1.26 -0.61 135.00 140.20 1of2 n PRO 210 Ca -0.20 -1.23 -0.01 0.00 -0.04 0.00 0.00 63.50 62.03 1of2 n PRO 210 Cb 0.56 -0.97 0.28 0.00 -0.04 0.00 0.00 33.50 33.33 1of2 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1of2 h ALA 211 N -2.17 1.31 -2.31 0.55 0.00 -1.94 -3.44 119.26 111.25 1of2 h ALA 211 Ca -0.27 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.82 1of2 h ALA 211 Cb 0.79 -0.13 0.05 0.00 0.00 0.00 0.00 17.79 18.49 1of2 h ALA 211 CO 0.18 0.46 0.90 -1.91 0.00 0.00 0.00 179.25 178.89 1of2 n GLU 212 N -4.23 2.30 -3.50 0.00 4.07 -1.26 -4.96 120.64 113.06 1of2 n GLU 212 Ca 0.01 0.83 -0.14 0.00 -0.06 0.00 0.00 57.16 57.80 1of2 n GLU 212 Cb 0.29 -2.64 -0.04 0.00 -0.06 0.00 0.00 31.44 29.00 1of2 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1of2 s ILE 213 N 1.61 0.00 -0.11 6.31 2.07 -1.26 -4.67 121.20 125.15 1of2 s ILE 213 Ca 0.81 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.07 1of2 s ILE 213 Cb -0.64 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.96 1of2 s ILE 213 CO 0.39 0.00 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.35 1of2 s THR 214 N -2.14 1.69 -0.11 4.00 2.01 -0.39 -5.01 115.64 115.69 1of2 s THR 214 Ca -0.04 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1of2 s THR 214 Cb -0.00 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1of2 s THR 214 CO -0.00 0.48 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.54 1of2 s LEU 215 N 0.77 1.46 -0.01 4.42 1.43 -1.26 -1.31 118.68 124.18 1of2 s LEU 215 Ca -0.10 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1of2 s LEU 215 Cb -0.16 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 1of2 s LEU 215 CO 0.01 -0.05 0.07 0.42 0.23 0.00 0.00 176.35 177.02 1of2 s THR 216 N 1.34 0.06 -0.11 5.49 -4.23 -0.83 -4.96 115.64 112.39 1of2 s THR 216 Ca -0.01 -0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 1of2 s THR 216 Cb -0.14 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 1of2 s THR 216 CO -0.05 -0.25 0.11 0.26 -0.54 0.00 0.00 174.62 174.14 1of2 s TRP 217 N -0.80 3.50 0.28 3.99 0.52 -1.26 -0.05 118.94 125.11 1of2 s TRP 217 Ca -0.09 0.45 0.11 0.00 0.02 0.00 0.00 56.10 56.59 1of2 s TRP 217 Cb -0.05 -1.90 -0.05 0.00 -1.15 0.00 0.00 33.47 30.32 1of2 s TRP 217 CO 0.00 0.68 -0.14 -0.65 0.02 0.00 0.00 176.95 176.86 1of2 s GLN 218 N -1.04 1.86 -0.13 4.98 -0.21 0.64 -2.07 119.66 123.69 1of2 s GLN 218 Ca 0.15 -1.67 -0.00 0.00 0.02 0.00 0.00 55.36 53.86 1of2 s GLN 218 Cb -0.12 -1.88 0.03 0.00 1.00 0.00 0.00 33.01 32.04 1of2 s GLN 218 CO 0.04 0.34 -0.08 0.50 -2.12 0.00 0.00 175.29 173.97 1of2 s ARG 219 N -3.56 1.57 -1.43 2.91 3.52 -0.47 -1.78 118.95 119.71 1of2 s ARG 219 Ca 0.30 -0.34 -0.06 0.00 -0.13 0.00 0.00 55.73 55.50 1of2 s ARG 219 Cb -0.05 -1.73 0.06 0.00 -1.56 0.00 0.00 34.95 31.67 1of2 s ARG 219 CO 0.16 -0.30 0.16 -0.25 -0.81 0.00 0.00 175.30 174.26 1of2 n ASP 220 N 4.91 0.10 0.00 -2.12 8.00 0.17 -1.73 116.55 125.88 1of2 n ASP 220 Ca -0.13 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1of2 n ASP 220 Cb 0.49 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1of2 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1of2 n GLY 221 N -1.95 0.77 3.32 0.44 0.00 -1.26 -5.04 105.19 101.47 1of2 n GLY 221 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1of2 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1of2 s GLU 222 N -0.29 3.34 0.46 1.61 2.56 -0.71 -5.03 118.70 120.65 1of2 s GLU 222 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 54.97 54.06 1of2 s GLU 222 Cb 0.00 -2.75 -0.09 0.00 2.00 0.00 0.00 34.13 33.29 1of2 s GLU 222 CO 0.00 0.03 1.05 -0.25 -0.56 0.00 0.00 175.26 175.53 1of2 n ASP 223 N 4.06 1.39 -2.34 -1.70 8.00 -1.26 -1.37 116.55 123.33 1of2 n ASP 223 Ca -0.18 1.00 -0.28 0.00 0.71 0.00 0.00 54.79 56.03 1of2 n ASP 223 Cb 0.52 -1.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.25 1of2 n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1of2 n GLN 224 N -0.13 3.37 -1.07 -1.24 1.13 -0.88 -4.85 117.38 113.71 1of2 n GLN 224 Ca 0.10 -4.18 -0.19 0.00 -1.94 0.00 0.00 57.00 50.79 1of2 n GLN 224 Cb 0.41 -2.27 -0.00 0.00 0.11 0.00 0.00 30.24 28.49 1of2 n GLN 224 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1of2 n THR 225 N -0.61 2.94 0.00 5.09 -1.04 -1.26 -1.85 114.28 117.54 1of2 n THR 225 Ca 0.44 -2.03 0.00 0.00 -2.04 0.00 0.00 64.05 60.42 1of2 n THR 225 Cb 0.73 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 1of2 n THR 225 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1of2 n GLN 226 N 0.64 2.02 0.00 -2.82 10.64 -1.26 -4.84 117.38 121.75 1of2 n GLN 226 Ca 0.36 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.63 1of2 n GLN 226 Cb 0.58 -0.82 0.01 0.00 -0.86 0.00 0.00 30.24 29.16 1of2 n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1of2 n ASP 227 N -1.02 2.08 -4.64 2.61 10.43 -0.90 -4.94 116.55 120.17 1of2 n ASP 227 Ca 0.00 -1.54 -0.40 0.00 2.57 0.00 0.00 54.79 55.41 1of2 n ASP 227 Cb 0.00 0.39 -0.06 0.00 1.84 0.00 0.00 41.12 43.29 1of2 n ASP 227 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1of2 s THR 228 N -2.21 4.99 -0.35 -3.53 2.01 -0.77 -4.57 115.64 111.21 1of2 s THR 228 Ca 0.18 1.19 -0.25 0.00 0.31 0.00 0.00 61.69 63.13 1of2 s THR 228 Cb 0.17 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1of2 s THR 228 CO 0.47 0.06 0.87 -0.70 -0.69 0.00 0.00 174.62 174.63 1of2 s GLU 229 N 2.26 3.86 -0.24 4.92 2.12 -0.27 -4.93 118.70 126.42 1of2 s GLU 229 Ca 0.28 0.54 -0.02 0.00 0.36 0.00 0.00 54.97 56.14 1of2 s GLU 229 Cb -0.16 -3.79 0.02 0.00 0.26 0.00 0.00 34.13 30.47 1of2 s GLU 229 CO 0.09 -0.87 -0.07 -1.17 -0.54 0.00 0.00 175.26 172.70 1of2 s LEU 230 N 3.28 3.04 0.53 2.70 2.96 -1.26 -1.12 118.68 128.81 1of2 s LEU 230 Ca 0.36 -0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 1of2 s LEU 230 Cb -0.13 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.84 1of2 s LEU 230 CO 0.17 -0.10 0.98 0.68 -1.32 0.00 0.00 176.35 176.75 1of2 s VAL 231 N 1.34 4.59 0.33 1.68 -7.23 -1.11 -5.02 120.40 114.98 1of2 s VAL 231 Ca 0.01 1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 60.99 1of2 s VAL 231 Cb -0.16 -3.75 -0.11 0.00 0.56 0.00 0.00 36.38 32.92 1of2 s VAL 231 CO -0.05 -0.77 1.45 -0.70 -0.31 0.00 0.00 175.10 174.71 1of2 s GLU 232 N -4.29 4.21 0.27 4.82 2.12 -1.26 -4.66 118.70 119.90 1of2 s GLU 232 Ca 0.57 2.43 -0.30 0.00 0.36 0.00 0.00 54.97 58.03 1of2 s GLU 232 Cb -0.10 -3.03 -0.12 0.00 0.26 0.00 0.00 34.13 31.13 1of2 s GLU 232 CO 0.36 -0.44 1.49 2.41 -0.54 0.00 0.00 175.26 178.55 1of2 n THR 233 N 1.19 1.05 -4.20 -1.70 -1.04 -1.26 -4.84 114.28 103.48 1of2 n THR 233 Ca 0.03 -0.26 -0.17 0.00 -2.04 0.00 0.00 64.05 61.61 1of2 n THR 233 Cb 0.40 -1.72 -0.13 0.00 -1.82 0.00 0.00 70.33 67.06 1of2 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1of2 s ARG 234 N -0.55 0.70 0.14 -2.82 1.70 -0.59 -4.95 118.95 112.58 1of2 s ARG 234 Ca 0.65 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.92 1of2 s ARG 234 Cb -0.57 -0.63 -0.07 0.00 -0.57 0.00 0.00 34.95 33.12 1of2 s ARG 234 CO 0.50 0.15 1.12 -1.25 -1.08 0.00 0.00 175.30 174.73 1of2 s PRO 235 N -1.19 4.55 0.33 3.89 0.04 -1.26 -0.83 135.00 140.53 1of2 s PRO 235 Ca -0.03 1.71 0.18 0.00 0.04 0.00 0.00 61.00 62.90 1of2 s PRO 235 Cb -0.08 -3.31 0.36 0.00 0.04 0.00 0.00 34.50 31.51 1of2 s PRO 235 CO 0.01 -0.01 1.58 0.00 0.04 0.00 0.00 177.00 178.61 1of2 h ALA 236 N 5.62 0.81 0.00 8.56 0.00 -1.42 -3.47 119.26 129.36 1of2 h ALA 236 Ca -0.43 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1of2 h ALA 236 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1of2 h ALA 236 CO 0.75 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.92 1of2 n GLY 237 N 0.83 0.36 1.43 0.00 0.00 -1.26 -4.96 105.19 101.59 1of2 n GLY 237 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1of2 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1of2 n ASP 238 N 0.00 3.26 0.00 1.61 5.75 -1.26 -4.95 116.55 120.96 1of2 n ASP 238 Ca 0.00 -3.67 0.00 0.00 -0.01 0.00 0.00 54.79 51.11 1of2 n ASP 238 Cb 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1of2 n ASP 238 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1of2 n ARG 239 N -0.83 0.00 -2.24 0.11 0.63 -1.26 -5.02 116.66 108.04 1of2 n ARG 239 Ca 0.30 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.98 1of2 n ARG 239 Cb 0.85 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.84 1of2 n ARG 239 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1of2 s THR 240 N -0.89 2.27 0.26 5.15 -4.23 -1.26 -4.87 115.64 112.07 1of2 s THR 240 Ca 0.00 -0.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 1of2 s THR 240 Cb 0.00 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.82 1of2 s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 1of2 s PHE 241 N -3.24 1.82 0.11 3.99 0.08 -0.40 -1.08 117.98 119.25 1of2 s PHE 241 Ca 0.61 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1of2 s PHE 241 Cb -0.10 -1.04 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 1of2 s PHE 241 CO 0.45 0.19 -0.09 -0.65 -0.10 0.00 0.00 175.22 175.02 1of2 s GLN 242 N -3.76 0.88 -0.05 0.44 -0.21 -0.01 -2.36 119.66 114.59 1of2 s GLN 242 Ca 0.29 -1.24 -0.29 0.00 0.02 0.00 0.00 55.36 54.13 1of2 s GLN 242 Cb 0.04 -0.49 0.09 0.00 1.00 0.00 0.00 33.01 33.65 1of2 s GLN 242 CO 0.11 0.06 0.81 0.21 -2.12 0.00 0.00 175.29 174.36 1of2 s LYS 243 N -3.14 0.90 0.08 2.91 2.20 -0.52 -1.54 119.74 120.62 1of2 s LYS 243 Ca 0.09 0.03 -0.05 0.00 -0.36 0.00 0.00 55.97 55.68 1of2 s LYS 243 Cb -0.00 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1of2 s LYS 243 CO -0.01 -0.32 0.09 1.67 -0.36 0.00 0.00 175.35 176.43 1of2 s TRP 244 N -1.82 0.34 -0.03 4.03 1.48 -1.26 -1.00 118.94 120.69 1of2 s TRP 244 Ca -0.04 -0.82 0.02 0.00 -1.06 0.00 0.00 56.10 54.20 1of2 s TRP 244 Cb -0.00 -0.21 0.01 0.00 -1.16 0.00 0.00 33.47 32.10 1of2 s TRP 244 CO 0.01 -0.48 -0.06 0.00 -4.06 0.00 0.00 176.95 172.37 1of2 s ALA 245 N -3.90 0.64 -0.00 2.67 0.00 -0.65 -2.73 121.76 117.79 1of2 s ALA 245 Ca 0.07 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.91 1of2 s ALA 245 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1of2 s ALA 245 CO -0.10 0.06 -0.13 0.00 0.00 0.00 0.00 175.76 175.59 1of2 s ALA 246 N 0.43 1.11 0.00 0.00 0.00 -0.27 -0.25 121.76 122.78 1of2 s ALA 246 Ca -0.06 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1of2 s ALA 246 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1of2 s ALA 246 CO 0.00 0.26 -0.10 0.14 0.00 0.00 0.00 175.76 176.06 1of2 s VAL 247 N -0.40 0.80 -0.13 0.00 -7.23 -0.70 -1.11 120.40 111.62 1of2 s VAL 247 Ca 0.04 -0.54 -0.24 0.00 -1.81 0.00 0.00 61.98 59.44 1of2 s VAL 247 Cb -0.06 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 1of2 s VAL 247 CO -0.00 0.15 0.74 -0.69 -0.31 0.00 0.00 175.10 174.99 1of2 s VAL 248 N -0.39 4.97 0.11 1.32 1.01 -1.26 -1.30 120.40 124.87 1of2 s VAL 248 Ca 0.03 1.47 0.08 0.00 0.00 0.00 0.00 61.98 63.56 1of2 s VAL 248 Cb -0.05 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1of2 s VAL 248 CO -0.00 0.13 -0.21 0.68 0.00 0.00 0.00 175.10 175.70 1of2 s VAL 249 N 1.58 1.74 0.40 2.92 -7.23 -0.38 -4.97 120.40 114.46 1of2 s VAL 249 Ca 0.36 -1.60 -0.25 0.00 -1.81 0.00 0.00 61.98 58.68 1of2 s VAL 249 Cb -0.17 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.08 1of2 s VAL 249 CO 0.14 -0.09 1.14 -2.84 -0.31 0.00 0.00 175.10 173.15 1of2 s PRO 250 N -2.03 4.08 0.23 4.82 0.02 -1.26 -1.61 135.00 139.24 1of2 s PRO 250 Ca 0.08 1.77 -0.32 0.00 0.02 0.00 0.00 61.00 62.55 1of2 s PRO 250 Cb -0.09 -2.65 -0.14 0.00 0.02 0.00 0.00 34.50 31.64 1of2 s PRO 250 CO 0.05 -0.28 1.43 0.43 -0.33 0.00 0.00 177.00 178.29 1of2 n SER 251 N 0.06 2.77 0.00 2.53 7.64 -0.45 -1.65 113.62 124.51 1of2 n SER 251 Ca 0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1of2 n SER 251 Cb 0.47 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1of2 n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1of2 n GLY 252 N 2.32 2.78 1.44 0.23 0.00 -1.26 -4.90 105.19 105.79 1of2 n GLY 252 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1of2 n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1of2 n GLU 253 N -2.00 3.38 0.24 1.61 1.02 -0.66 -4.65 120.64 119.59 1of2 n GLU 253 Ca 0.00 -2.52 0.07 0.00 -0.02 0.00 0.00 57.16 54.69 1of2 n GLU 253 Cb 0.00 -1.81 0.59 0.00 -0.02 0.00 0.00 31.44 30.20 1of2 n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1of2 h GLU 254 N 3.64 0.00 -0.00 3.49 3.07 -1.91 -2.46 114.58 120.41 1of2 h GLU 254 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1of2 h GLU 254 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1of2 h GLU 254 CO 0.20 0.09 -0.04 1.04 -1.40 0.00 0.00 179.01 178.90 1of2 n GLN 255 N -4.37 0.56 0.20 2.33 1.13 -1.26 -2.54 117.38 113.43 1of2 n GLN 255 Ca -0.03 -0.08 0.14 0.00 -1.94 0.00 0.00 57.00 55.09 1of2 n GLN 255 Cb 0.17 -1.50 0.45 0.00 0.11 0.00 0.00 30.24 29.47 1of2 n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1of2 h ARG 256 N 0.20 0.00 -5.34 -1.09 3.08 -1.81 -3.46 114.38 105.97 1of2 h ARG 256 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1of2 h ARG 256 Cb 0.29 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.23 1of2 h ARG 256 CO 0.00 0.00 -0.50 0.71 -1.07 0.00 0.00 179.97 179.11 1of2 s TYR 257 N -3.36 3.42 0.00 3.04 1.51 -1.05 -0.65 117.35 120.26 1of2 s TYR 257 Ca 0.05 0.34 0.07 0.00 -1.01 0.00 0.00 57.07 56.52 1of2 s TYR 257 Cb 0.08 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1of2 s TYR 257 CO 0.56 0.35 -0.21 0.95 -1.11 0.00 0.00 175.55 176.10 1of2 s THR 258 N 0.13 1.63 -0.13 -0.71 -4.23 -0.74 -4.66 115.64 106.94 1of2 s THR 258 Ca 0.09 -0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 1of2 s THR 258 Cb -0.11 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1of2 s THR 258 CO -0.01 0.37 0.10 0.00 -0.54 0.00 0.00 174.62 174.54 1of2 s HIS 260 N -0.72 2.63 -0.16 0.00 3.76 0.92 -1.07 115.29 120.65 1of2 s HIS 260 Ca 0.13 -1.38 0.01 0.00 -0.15 0.00 0.00 55.06 53.67 1of2 s HIS 260 Cb -0.12 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.78 1of2 s HIS 260 CO 0.03 -0.65 -0.19 0.08 -0.85 0.00 0.00 174.74 173.16 1of2 s VAL 261 N 0.94 2.28 -0.16 -0.90 1.01 -0.65 -1.97 120.40 120.95 1of2 s VAL 261 Ca -0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1of2 s VAL 261 Cb -0.15 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1of2 s VAL 261 CO -0.04 0.53 -0.15 -1.10 0.00 0.00 0.00 175.10 174.34 1of2 s GLN 262 N 0.96 3.22 -0.07 2.72 -0.21 -0.43 -1.18 119.66 124.67 1of2 s GLN 262 Ca -0.03 -0.74 -0.18 0.00 0.02 0.00 0.00 55.36 54.43 1of2 s GLN 262 Cb -0.15 -2.65 0.04 0.00 1.00 0.00 0.00 33.01 31.25 1of2 s GLN 262 CO -0.04 -0.01 0.42 -1.58 -2.12 0.00 0.00 175.29 171.95 1of2 s HIS 263 N 0.90 -0.36 0.21 0.91 2.46 -1.26 -1.26 115.29 116.89 1of2 s HIS 263 Ca -0.04 0.70 0.36 0.00 0.47 0.00 0.00 55.06 56.55 1of2 s HIS 263 Cb -0.15 0.17 1.66 0.00 -0.13 0.00 0.00 32.58 34.14 1of2 s HIS 263 CO -0.01 -0.38 2.07 1.05 -2.47 0.00 0.00 174.74 174.99 1of2 h GLU 264 N 4.18 0.00 -0.00 2.88 4.11 -1.94 -1.62 114.58 122.19 1of2 h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1of2 h GLU 264 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1of2 h GLU 264 CO 0.35 0.00 -0.01 0.41 0.07 0.00 0.00 179.01 179.82 1of2 n GLY 265 N -0.37 -0.74 3.81 1.06 0.00 -1.26 -4.85 105.19 102.84 1of2 n GLY 265 Ca -0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1of2 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1of2 s LEU 266 N -2.07 4.28 0.07 0.99 1.43 -0.61 -4.29 118.68 118.47 1of2 s LEU 266 Ca 0.43 0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.67 1of2 s LEU 266 Cb 0.21 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 1of2 s LEU 266 CO 0.38 0.32 1.34 -0.65 0.23 0.00 0.00 176.35 177.96 1of2 h PRO 267 N 5.64 -0.42 -6.59 1.29 0.11 -1.88 -3.44 132.00 126.70 1of2 h PRO 267 Ca -0.49 0.03 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 1of2 h PRO 267 Cb 1.20 0.10 -0.18 0.00 0.11 0.00 0.00 31.00 32.22 1of2 h PRO 267 CO 0.65 -0.28 -0.82 0.15 -0.21 0.00 0.00 178.00 177.49 1of2 s LYS 268 N -4.68 1.55 0.45 1.05 1.02 -1.26 -5.12 119.74 112.74 1of2 s LYS 268 Ca -0.10 -1.53 -0.23 0.00 0.02 0.00 0.00 55.97 54.13 1of2 s LYS 268 Cb 0.04 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 1of2 s LYS 268 CO 0.37 0.40 1.00 -2.30 -0.92 0.00 0.00 175.35 173.90 1of2 n PRO 269 N 0.21 1.29 -3.51 -1.68 -0.01 -1.26 -4.98 135.00 125.06 1of2 n PRO 269 Ca -0.12 0.47 -0.30 0.00 -0.01 0.00 0.00 63.50 63.54 1of2 n PRO 269 Cb 0.56 -2.07 -0.04 0.00 -0.01 0.00 0.00 33.50 31.94 1of2 n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1of2 s LEU 270 N -0.80 4.16 -0.10 2.45 1.43 -0.33 -4.92 118.68 120.58 1of2 s LEU 270 Ca 0.65 0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1of2 s LEU 270 Cb -0.53 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.29 1of2 s LEU 270 CO 0.55 -0.08 -0.06 -0.89 0.23 0.00 0.00 176.35 176.10 1of2 s THR 271 N -1.88 0.89 0.09 5.49 2.01 -1.26 -1.64 115.64 119.34 1of2 s THR 271 Ca 0.43 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.28 1of2 s THR 271 Cb -0.11 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1of2 s THR 271 CO 0.27 0.34 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.60 1of2 s LEU 272 N 1.67 2.29 0.11 4.42 1.02 -0.23 -4.94 118.68 123.02 1of2 s LEU 272 Ca 0.03 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.56 1of2 s LEU 272 Cb -0.13 -0.72 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 1of2 s LEU 272 CO -0.07 0.00 -0.09 -0.13 0.02 0.00 0.00 176.35 176.09 1of2 s ARG 273 N -1.81 0.91 0.22 1.70 0.52 -1.26 -0.77 118.95 118.45 1of2 s ARG 273 Ca 0.03 -1.33 -0.32 0.00 -0.52 0.00 0.00 55.73 53.59 1of2 s ARG 273 Cb -0.10 -0.43 -0.13 0.00 0.52 0.00 0.00 34.95 34.81 1of2 s ARG 273 CO 0.03 0.04 1.55 1.87 0.02 0.00 0.00 175.30 178.82 1of2 n TRP 274 N 0.07 2.43 -3.66 -0.53 -0.00 -1.26 -4.69 117.44 109.80 1of2 n TRP 274 Ca -0.13 0.28 -0.29 0.00 -0.00 0.00 0.00 57.50 57.37 1of2 n TRP 274 Cb 0.60 -2.55 -0.12 0.00 -0.00 0.00 0.00 31.31 29.24 1of2 n TRP 274 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1of2 s GLU 275 N 0.29 1.35 0.00 5.87 2.02 -1.26 -4.97 118.70 122.00 1of2 s GLU 275 Ca 0.72 -2.21 0.00 0.00 0.02 0.00 0.00 54.97 53.51 1of2 s GLU 275 Cb -0.61 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1of2 s GLU 275 CO 0.42 -1.23 0.16 -2.30 0.02 0.00 0.00 175.26 172.33