#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7i n ARG 3 N 0.00 0.94 -3.75 -0.78 1.74 -1.25 -4.83 116.66 108.73 2x7i n ARG 3 Ca 0.00 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 2x7i n ARG 3 Cb 0.00 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 2x7i n ARG 3 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2x7i s LYS 4 N -2.29 0.42 -0.14 5.56 2.20 -1.26 -0.50 119.74 123.72 2x7i s LYS 4 Ca -0.15 0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.86 2x7i s LYS 4 Cb 0.05 0.20 0.04 0.00 -1.51 0.00 0.00 37.83 36.61 2x7i s LYS 4 CO 0.38 -0.05 0.37 0.20 -0.36 0.00 0.00 175.35 175.89 2x7i s GLY 5 N 0.21 -0.27 -0.02 5.54 0.00 -0.65 -3.76 107.32 108.36 2x7i s GLY 5 Ca -0.00 1.20 0.04 0.00 0.00 0.00 0.00 44.72 45.96 2x7i s GLY 5 CO 0.00 1.20 -0.15 -0.47 0.00 0.00 0.00 173.10 173.69 2x7i s TYR 6 N 0.74 1.38 0.02 1.90 6.14 -1.26 -1.07 117.35 125.20 2x7i s TYR 6 Ca -0.04 -0.30 -0.04 0.00 0.64 0.00 0.00 57.07 57.32 2x7i s TYR 6 Cb -0.06 -0.91 -0.01 0.00 0.42 0.00 0.00 41.96 41.41 2x7i s TYR 6 CO -0.05 -0.06 0.07 0.20 0.64 0.00 0.00 175.55 176.34 2x7i s GLY 7 N -0.21 0.15 0.12 8.97 0.00 -0.31 -3.90 107.32 112.14 2x7i s GLY 7 Ca 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 44.72 44.40 2x7i s GLY 7 CO 0.00 -0.51 -0.11 -0.54 0.00 0.00 0.00 173.10 171.94 2x7i s GLU 8 N -1.68 0.95 -0.07 2.90 2.02 -1.26 -0.80 118.70 120.76 2x7i s GLU 8 Ca -0.13 -1.25 -0.15 0.00 0.02 0.00 0.00 54.97 53.46 2x7i s GLU 8 Cb -0.07 -0.67 0.03 0.00 0.10 0.00 0.00 34.13 33.52 2x7i s GLU 8 CO -0.01 0.11 0.36 0.45 0.02 0.00 0.00 175.26 176.19 2x7i s SER 9 N -2.62 -0.30 0.76 -0.19 0.15 -0.13 -4.41 113.70 106.96 2x7i s SER 9 Ca 0.09 0.42 -0.09 0.00 0.70 0.00 0.00 55.95 57.07 2x7i s SER 9 Cb -0.02 0.53 0.08 0.00 -1.71 0.00 0.00 66.02 64.89 2x7i s SER 9 CO 0.01 -0.31 1.09 0.42 1.20 0.00 0.00 173.24 175.65 2x7i s THR 10 N -0.64 2.16 0.00 6.45 -4.23 -1.26 -1.03 115.64 117.09 2x7i s THR 10 Ca -0.07 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2x7i s THR 10 Cb -0.04 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2x7i s THR 10 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2x7i n GLY 11 N -3.11 0.66 3.26 3.99 0.00 -1.10 -4.51 105.19 104.38 2x7i n GLY 11 Ca 0.09 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 2x7i n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x7i s LYS 12 N 1.58 0.87 -0.04 1.61 0.00 -0.40 -1.52 119.74 121.84 2x7i s LYS 12 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 55.97 55.37 2x7i s LYS 12 Cb 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 37.83 38.20 2x7i s LYS 12 CO 0.00 -0.30 -0.18 0.42 0.00 0.00 0.00 175.35 175.29 2x7i s ILE 13 N -3.10 1.49 -0.64 3.79 1.01 -0.32 -3.85 121.20 119.59 2x7i s ILE 13 Ca -0.01 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 2x7i s ILE 13 Cb 0.01 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.26 2x7i s ILE 13 CO -0.07 0.43 1.01 -0.63 0.00 0.00 0.00 174.94 175.68 2x7i s ILE 14 N -0.04 4.24 0.13 2.92 -1.09 -1.26 -1.13 121.20 124.97 2x7i s ILE 14 Ca -0.02 -0.03 -0.17 0.00 -2.23 0.00 0.00 60.65 58.20 2x7i s ILE 14 Cb -0.11 -4.68 -0.02 0.00 -1.58 0.00 0.00 42.46 36.07 2x7i s ILE 14 CO 0.02 -1.42 1.74 -0.07 -1.23 0.00 0.00 174.94 173.98 2x7i h LEU 15 N 11.53 0.42 -7.59 2.97 3.38 -1.13 -3.41 115.31 121.48 2x7i h LEU 15 Ca -0.28 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.39 2x7i h LEU 15 Cb 1.07 -0.11 -0.29 0.00 0.09 0.00 0.00 40.66 41.42 2x7i h LEU 15 CO 1.17 0.38 -0.63 -0.63 0.09 0.00 0.00 178.44 178.82 2x7i s ILE 16 N -5.90 -0.02 0.00 1.22 1.01 -1.23 -4.88 121.20 111.41 2x7i s ILE 16 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2x7i s ILE 16 Cb 0.10 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.42 2x7i s ILE 16 CO 0.72 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.30 2x7i n GLY 17 N 3.38 3.16 3.82 6.18 0.00 -1.26 -0.64 105.19 119.83 2x7i n GLY 17 Ca -0.17 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 2x7i n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x7i s GLU 18 N -2.41 2.53 0.39 1.61 -1.05 -1.26 -2.38 118.70 116.14 2x7i s GLU 18 Ca 0.00 0.74 -0.27 0.00 -0.15 0.00 0.00 54.97 55.29 2x7i s GLU 18 Cb 0.00 -1.96 -0.09 0.00 -0.44 0.00 0.00 34.13 31.64 2x7i s GLU 18 CO 0.00 -1.33 1.35 -1.58 0.95 0.00 0.00 175.26 174.65 2x7i s HIS 19 N -3.14 2.78 -1.48 4.83 5.65 -1.25 -3.52 115.29 119.16 2x7i s HIS 19 Ca 0.59 1.36 -0.09 0.00 0.25 0.00 0.00 55.06 57.17 2x7i s HIS 19 Cb -0.14 -3.75 0.06 0.00 -1.18 0.00 0.00 32.58 27.57 2x7i s HIS 19 CO 0.54 -2.29 0.79 0.00 -0.65 0.00 0.00 174.74 173.13 2x7i n ALA 20 N 0.24 -1.59 -1.74 1.58 0.00 -1.26 -4.87 120.51 112.88 2x7i n ALA 20 Ca 0.03 -0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 2x7i n ALA 20 Cb 0.42 -3.20 0.05 0.00 0.00 0.00 0.00 19.45 16.73 2x7i n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x7i s VAL 21 N -3.50 2.10 0.21 0.00 0.11 -1.23 -5.02 120.40 113.06 2x7i s VAL 21 Ca 0.40 0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.62 2x7i s VAL 21 Cb -0.20 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.57 2x7i s VAL 21 CO 0.85 -0.01 -0.20 0.28 -3.33 0.00 0.00 175.10 172.69 2x7i s THR 22 N -1.37 2.17 0.28 5.04 -1.32 -1.26 -4.79 115.64 114.39 2x7i s THR 22 Ca 0.77 -2.14 -0.29 0.00 -1.21 0.00 0.00 61.69 58.82 2x7i s THR 22 Cb -0.38 -2.09 -0.13 0.00 -1.51 0.00 0.00 72.50 68.38 2x7i s THR 22 CO 0.43 -0.32 1.23 0.33 -2.21 0.00 0.00 174.62 174.07 2x7i n PHE 23 N -0.09 1.86 0.00 9.09 7.35 -1.26 -1.83 117.46 132.58 2x7i n PHE 23 Ca -0.10 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 2x7i n PHE 23 Cb 0.58 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 38.04 2x7i n PHE 23 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x7i n GLY 24 N 1.39 3.02 3.67 7.13 0.00 -1.26 -5.07 105.19 114.07 2x7i n GLY 24 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2x7i n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x7i s GLU 25 N -0.75 2.80 0.26 1.61 2.02 -0.76 -4.38 118.70 119.51 2x7i s GLU 25 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 2x7i s GLU 25 Cb 0.00 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.46 2x7i s GLU 25 CO 0.00 0.64 1.15 -2.14 0.02 0.00 0.00 175.26 174.93 2x7i s PRO 26 N -1.38 4.57 -0.09 0.39 0.02 -1.26 -4.47 135.00 132.78 2x7i s PRO 26 Ca 0.18 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 2x7i s PRO 26 Cb -0.11 -3.19 0.11 0.00 0.02 0.00 0.00 34.50 31.33 2x7i s PRO 26 CO 0.08 0.08 0.88 0.00 -0.33 0.00 0.00 177.00 177.72 2x7i s ALA 27 N -0.89 -1.86 -0.22 -1.55 0.00 -1.00 -4.15 121.76 112.09 2x7i s ALA 27 Ca 0.47 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2x7i s ALA 27 Cb -0.33 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2x7i s ALA 27 CO 0.42 -0.43 -0.06 0.42 0.00 0.00 0.00 175.76 176.11 2x7i s ILE 28 N -1.68 1.46 -0.01 0.00 1.01 0.19 -1.09 121.20 121.08 2x7i s ILE 28 Ca -0.02 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 59.54 2x7i s ILE 28 Cb -0.00 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 2x7i s ILE 28 CO 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 174.94 174.99 2x7i s ALA 29 N 1.44 3.54 0.05 9.38 0.00 -0.62 -0.45 121.76 135.10 2x7i s ALA 29 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2x7i s ALA 29 Cb -0.18 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 2x7i s ALA 29 CO -0.07 0.68 -0.05 0.14 0.00 0.00 0.00 175.76 176.47 2x7i s VAL 30 N -1.17 0.35 0.42 0.00 -7.23 -0.28 -1.35 120.40 111.14 2x7i s VAL 30 Ca 0.22 -1.48 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 2x7i s VAL 30 Cb -0.12 -1.08 -0.10 0.00 0.56 0.00 0.00 36.38 35.65 2x7i s VAL 30 CO 0.13 -0.74 1.41 -2.65 -0.31 0.00 0.00 175.10 172.94 2x7i n PRO 31 N 0.69 2.30 -3.58 4.82 -0.02 -1.26 -1.17 135.00 136.78 2x7i n PRO 31 Ca -0.18 0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 2x7i n PRO 31 Cb 0.58 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 2x7i n PRO 31 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2x7i s PHE 32 N -1.17 3.68 0.28 6.00 5.36 -0.58 -4.67 117.98 126.89 2x7i s PHE 32 Ca 0.58 -2.64 0.37 0.00 -0.96 0.00 0.00 56.93 54.28 2x7i s PHE 32 Cb -0.48 -3.40 1.67 0.00 -0.34 0.00 0.00 43.02 40.48 2x7i s PHE 32 CO 0.60 -0.85 2.10 -0.91 -1.46 0.00 0.00 175.22 174.69 2x7i h ASN 33 N 6.88 0.00 0.99 6.13 2.35 -1.93 -2.14 115.58 127.85 2x7i h ASN 33 Ca 0.08 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 2x7i h ASN 33 Cb 0.93 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2x7i h ASN 33 CO 0.78 0.01 -0.32 0.00 -1.65 0.00 0.00 177.43 176.25 2x7i h ALA 34 N 1.99 0.96 -2.89 -0.83 0.00 -1.92 -3.43 119.26 113.14 2x7i h ALA 34 Ca -0.00 -0.29 -0.58 0.00 0.00 0.00 0.00 54.91 54.04 2x7i h ALA 34 Cb 0.36 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2x7i h ALA 34 CO 0.00 0.40 -0.12 0.20 0.00 0.00 0.00 179.25 179.73 2x7i s GLY 35 N -4.34 2.36 -0.05 0.00 0.00 -0.82 -5.03 107.32 99.44 2x7i s GLY 35 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.53 2x7i s GLY 35 CO 0.67 0.81 -0.05 0.54 0.00 0.00 0.00 173.10 175.08 2x7i s LYS 36 N 0.75 0.89 -0.15 2.90 -0.14 -1.26 -2.73 119.74 120.01 2x7i s LYS 36 Ca 0.26 -0.12 -0.00 0.00 -1.36 0.00 0.00 55.97 54.75 2x7i s LYS 36 Cb -0.15 -0.90 -0.01 0.00 -1.68 0.00 0.00 37.83 35.09 2x7i s LYS 36 CO 0.10 -0.09 -0.13 0.42 -0.76 0.00 0.00 175.35 174.89 2x7i s ILE 37 N 0.96 2.93 -0.10 2.17 1.01 -0.20 -2.43 121.20 125.54 2x7i s ILE 37 Ca -0.10 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2x7i s ILE 37 Cb -0.14 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 2x7i s ILE 37 CO 0.00 0.51 -0.19 -0.54 0.00 0.00 0.00 174.94 174.73 2x7i s LYS 38 N 0.61 3.03 -0.08 2.79 1.02 -0.50 -0.95 119.74 125.66 2x7i s LYS 38 Ca -0.08 -0.79 0.05 0.00 0.02 0.00 0.00 55.97 55.18 2x7i s LYS 38 Cb -0.16 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2x7i s LYS 38 CO 0.03 0.28 -0.24 0.08 -0.92 0.00 0.00 175.35 174.58 2x7i s VAL 39 N 0.12 2.02 -0.08 3.17 1.01 0.02 -0.55 120.40 126.12 2x7i s VAL 39 Ca -0.09 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2x7i s VAL 39 Cb -0.16 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2x7i s VAL 39 CO 0.06 0.56 -0.21 -0.22 0.00 0.00 0.00 175.10 175.28 2x7i s LEU 40 N 0.09 1.97 -0.20 3.92 2.96 0.24 -1.16 118.68 126.51 2x7i s LEU 40 Ca -0.11 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2x7i s LEU 40 Cb -0.16 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.33 2x7i s LEU 40 CO 0.06 0.14 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.43 2x7i s ILE 41 N 0.32 2.06 -0.17 6.68 1.01 -0.23 -0.90 121.20 129.96 2x7i s ILE 41 Ca -0.15 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.42 2x7i s ILE 41 Cb -0.16 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.38 2x7i s ILE 41 CO 0.07 0.39 -0.19 -1.61 0.00 0.00 0.00 174.94 173.60 2x7i s GLU 42 N 1.26 2.85 0.23 2.79 2.02 -0.17 -1.64 118.70 126.04 2x7i s GLU 42 Ca 0.02 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 2x7i s GLU 42 Cb -0.15 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.52 2x7i s GLU 42 CO -0.11 -0.21 1.34 0.00 0.02 0.00 0.00 175.26 176.31 2x7i s ALA 43 N 1.31 3.55 0.22 5.21 0.00 0.34 -0.77 121.76 131.61 2x7i s ALA 43 Ca 0.04 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.21 2x7i s ALA 43 Cb -0.13 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2x7i s ALA 43 CO -0.12 -0.60 0.16 1.28 0.00 0.00 0.00 175.76 176.48 2x7i n LEU 44 N 2.25 0.00 0.00 0.00 4.32 0.84 -4.93 117.00 119.48 2x7i n LEU 44 Ca 0.05 -1.12 -0.11 0.00 -0.02 0.00 0.00 56.01 54.81 2x7i n LEU 44 Cb 0.42 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 42.21 2x7i n LEU 44 CO 0.59 -0.39 0.09 -1.84 -1.22 0.00 0.00 177.39 174.61 2x7i n GLU 45 N -1.02 0.99 0.00 3.23 0.00 -1.26 -4.56 120.64 118.02 2x7i n GLU 45 Ca -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 57.16 55.55 2x7i n GLU 45 Cb 0.25 0.07 0.00 0.00 0.00 0.00 0.00 31.44 31.75 2x7i n GLU 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2x7i n SER 46 N -2.21 0.00 -3.46 -1.84 7.64 -1.26 -3.56 113.62 108.94 2x7i n SER 46 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.62 2x7i n SER 46 Cb 0.30 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.38 2x7i n SER 46 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2x7i s GLY 47 N 0.00 1.07 0.26 0.23 0.00 -1.26 -4.84 107.32 102.78 2x7i s GLY 47 Ca 0.00 -2.16 0.10 0.00 0.00 0.00 0.00 44.72 42.67 2x7i s GLY 47 CO 0.00 2.05 -0.09 -1.31 0.00 0.00 0.00 173.10 173.75 2x7i s ASN 48 N 0.61 4.13 0.72 1.64 0.02 -1.23 -5.13 114.94 115.70 2x7i s ASN 48 Ca 0.24 -0.79 -0.14 0.00 -1.02 0.00 0.00 52.86 51.15 2x7i s ASN 48 Cb -0.13 -0.61 0.03 0.00 0.02 0.00 0.00 41.25 40.56 2x7i s ASN 48 CO -0.07 0.03 1.13 -0.72 0.02 0.00 0.00 177.10 177.49 2x7i s TYR 49 N -2.33 2.38 0.21 2.20 -0.85 -1.26 -4.73 117.35 112.97 2x7i s TYR 49 Ca 0.30 1.59 -0.12 0.00 -0.52 0.00 0.00 57.07 58.32 2x7i s TYR 49 Cb -0.06 -3.24 -0.07 0.00 0.38 0.00 0.00 41.96 38.97 2x7i s TYR 49 CO 0.17 -2.04 0.57 -1.12 -1.52 0.00 0.00 175.55 171.61 2x7i s SER 50 N -2.61 6.70 0.02 -0.18 0.01 -1.26 -4.67 113.70 111.71 2x7i s SER 50 Ca 0.68 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.94 2x7i s SER 50 Cb -0.22 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2x7i s SER 50 CO 0.47 -0.03 -0.03 -0.94 0.41 0.00 0.00 173.24 173.12 2x7i s SER 51 N -2.15 0.24 -0.17 2.44 1.04 -0.44 -4.98 113.70 109.69 2x7i s SER 51 Ca 0.45 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.46 2x7i s SER 51 Cb -0.12 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.10 2x7i s SER 51 CO 0.20 -0.25 -0.15 -0.51 0.98 0.00 0.00 173.24 173.52 2x7i s ILE 52 N -1.22 1.71 -0.14 -1.02 2.07 -1.26 -0.54 121.20 120.79 2x7i s ILE 52 Ca -0.13 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 2x7i s ILE 52 Cb -0.08 -1.62 -0.01 0.00 0.13 0.00 0.00 42.46 40.88 2x7i s ILE 52 CO -0.01 0.43 -0.15 -0.75 -1.91 0.00 0.00 174.94 172.55 2x7i s LYS 53 N 1.42 3.25 -0.26 3.50 2.20 0.12 -4.98 119.74 125.00 2x7i s LYS 53 Ca 0.04 -0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 54.87 2x7i s LYS 53 Cb -0.13 -2.61 0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2x7i s LYS 53 CO -0.11 0.08 -0.01 -1.12 -0.36 0.00 0.00 175.35 173.84 2x7i s SER 54 N 0.66 4.60 -0.22 1.43 0.01 -1.26 -1.16 113.70 117.76 2x7i s SER 54 Ca -0.08 -0.67 -0.09 0.00 1.31 0.00 0.00 55.95 56.42 2x7i s SER 54 Cb -0.16 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 2x7i s SER 54 CO 0.02 -0.12 0.12 -1.81 0.41 0.00 0.00 173.24 171.87 2x7i s ASP 55 N 1.43 5.88 -0.16 2.44 1.01 0.29 -4.99 116.67 122.58 2x7i s ASP 55 Ca 0.03 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.36 2x7i s ASP 55 Cb -0.16 -2.04 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 2x7i s ASP 55 CO -0.02 0.09 -0.15 0.68 0.21 0.00 0.00 175.17 175.99 2x7i s VAL 56 N 0.88 2.69 0.11 -1.27 -7.23 -1.26 -1.92 120.40 112.39 2x7i s VAL 56 Ca 0.06 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.37 2x7i s VAL 56 Cb -0.13 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.61 2x7i s VAL 56 CO 0.03 0.51 0.44 -0.31 -0.31 0.00 0.00 175.10 175.46 2x7i s TYR 57 N 0.82 3.56 0.04 2.82 2.02 -1.01 -4.83 117.35 120.77 2x7i s TYR 57 Ca -0.05 0.81 0.00 0.00 -0.37 0.00 0.00 57.07 57.46 2x7i s TYR 57 Cb -0.15 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 2x7i s TYR 57 CO -0.00 0.47 0.00 -3.47 -1.57 0.00 0.00 175.55 170.98 2x7i n ASP 58 N 0.68 -3.97 -2.11 2.29 2.03 -1.26 -4.06 116.55 110.15 2x7i n ASP 58 Ca -0.06 0.18 -0.19 0.00 0.52 0.00 0.00 54.79 55.24 2x7i n ASP 58 Cb 0.52 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2x7i n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2x7i n GLY 59 N -0.57 4.05 3.87 0.27 0.00 -1.26 -4.96 105.19 106.58 2x7i n GLY 59 Ca 0.00 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 2x7i n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x7i s MET 60 N -1.50 3.85 0.65 1.61 -1.94 -1.26 -5.08 119.30 115.62 2x7i s MET 60 Ca 0.43 0.35 -0.14 0.00 -1.71 0.00 0.00 55.69 54.63 2x7i s MET 60 Cb 0.29 -2.62 -0.01 0.00 2.01 0.00 0.00 34.83 34.50 2x7i s MET 60 CO -0.08 0.30 1.06 -0.51 -0.01 0.00 0.00 175.02 175.77 2x7i s LEU 61 N -2.81 3.33 0.53 -0.03 1.43 -1.26 -4.89 118.68 114.98 2x7i s LEU 61 Ca 0.48 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 55.15 2x7i s LEU 61 Cb -0.11 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.52 2x7i s LEU 61 CO 0.20 -1.36 1.08 -0.31 0.23 0.00 0.00 176.35 176.20 2x7i s TYR 62 N -2.68 2.83 -1.24 0.29 1.51 -1.26 -4.50 117.35 112.30 2x7i s TYR 62 Ca 0.62 1.56 -0.15 0.00 -1.01 0.00 0.00 57.07 58.08 2x7i s TYR 62 Cb -0.16 -3.17 0.14 0.00 -0.11 0.00 0.00 41.96 38.66 2x7i s TYR 62 CO 0.45 -1.23 1.54 0.34 -1.11 0.00 0.00 175.55 175.53 2x7i s ASP 63 N -1.95 6.99 0.31 2.29 2.15 -1.26 -4.84 116.67 120.36 2x7i s ASP 63 Ca 0.70 -2.80 0.00 0.00 0.43 0.00 0.00 52.55 50.88 2x7i s ASP 63 Cb -0.20 -2.46 0.52 0.00 -0.30 0.00 0.00 42.92 40.48 2x7i s ASP 63 CO 0.25 -0.90 1.95 0.00 -0.17 0.00 0.00 175.17 176.30 2x7i h ALA 64 N 7.32 1.49 0.00 3.66 0.00 -2.01 -1.63 119.26 128.09 2x7i h ALA 64 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2x7i h ALA 64 Cb 0.87 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2x7i h ALA 64 CO 1.32 0.42 0.00 -2.30 0.00 0.00 0.00 179.25 178.69 2x7i n PRO 65 N -4.45 0.01 -3.46 0.00 -0.02 -1.26 -4.52 135.00 121.30 2x7i n PRO 65 Ca 0.11 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 2x7i n PRO 65 Cb 0.12 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 2x7i n PRO 65 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2x7i s ASP 66 N -2.95 5.93 -1.01 2.55 2.15 -0.62 -4.46 116.67 118.27 2x7i s ASP 66 Ca 0.04 -1.59 -0.15 0.00 0.43 0.00 0.00 52.55 51.29 2x7i s ASP 66 Cb 0.05 -2.10 0.18 0.00 -0.30 0.00 0.00 42.92 40.75 2x7i s ASP 66 CO 0.14 -0.67 1.13 -1.00 -0.17 0.00 0.00 175.17 174.60 2x7i s HIS 67 N 1.52 3.53 0.29 -5.34 3.76 0.38 -4.83 115.29 114.60 2x7i s HIS 67 Ca 0.04 -1.91 0.15 0.00 -0.15 0.00 0.00 55.06 53.19 2x7i s HIS 67 Cb -0.26 -4.13 0.69 0.00 1.11 0.00 0.00 32.58 30.00 2x7i s HIS 67 CO 0.03 -1.28 1.77 -0.07 -0.85 0.00 0.00 174.74 174.34 2x7i h LEU 68 N 9.12 0.00 -1.56 0.89 3.38 -1.94 -2.66 115.31 122.54 2x7i h LEU 68 Ca 0.19 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2x7i h LEU 68 Cb 0.97 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2x7i h LEU 68 CO 1.05 0.41 0.45 0.11 0.09 0.00 0.00 178.44 180.55 2x7i h LYS 69 N 0.00 0.47 -0.65 1.13 1.57 -1.98 -1.01 116.57 116.10 2x7i h LYS 69 Ca -0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2x7i h LYS 69 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2x7i h LYS 69 CO 0.05 0.31 0.07 0.77 -0.57 0.00 0.00 179.45 180.08 2x7i h SER 70 N 0.48 1.06 -0.69 0.86 0.02 -1.86 -1.25 113.55 112.18 2x7i h SER 70 Ca 0.31 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2x7i h SER 70 Cb 0.57 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2x7i h SER 70 CO -0.10 1.07 0.16 -0.07 -1.14 0.00 0.00 176.83 176.75 2x7i h LEU 71 N 1.02 1.05 -0.11 5.07 3.38 -1.30 -2.09 115.31 122.32 2x7i h LEU 71 Ca 0.19 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2x7i h LEU 71 Cb 0.48 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2x7i h LEU 71 CO 0.02 1.01 -0.25 0.58 0.09 0.00 0.00 178.44 179.89 2x7i h VAL 72 N 1.04 1.39 -0.39 1.22 2.07 -1.27 -1.31 116.25 118.99 2x7i h VAL 72 Ca 0.22 -1.55 0.08 0.00 0.82 0.00 0.00 66.70 66.26 2x7i h VAL 72 Cb 0.38 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 2x7i h VAL 72 CO 0.00 0.45 -0.04 0.78 0.02 0.00 0.00 177.57 178.78 2x7i h ASN 73 N -0.06 -0.25 -0.66 0.57 2.35 -1.25 -0.19 115.58 116.09 2x7i h ASN 73 Ca 0.00 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2x7i h ASN 73 Cb 0.85 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 2x7i h ASN 73 CO 0.06 -0.08 0.42 -0.09 -1.65 0.00 0.00 177.43 176.08 2x7i h ARG 74 N 0.06 0.81 -0.64 0.81 2.43 -1.33 -1.85 114.38 114.67 2x7i h ARG 74 Ca 0.19 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2x7i h ARG 74 Cb 0.28 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2x7i h ARG 74 CO -0.36 0.53 0.13 0.35 -1.51 0.00 0.00 179.97 179.11 2x7i h PHE 75 N 0.83 1.07 -0.14 2.20 3.57 -0.65 -0.66 116.94 123.16 2x7i h PHE 75 Ca 0.26 -0.13 -0.14 0.00 3.53 0.00 0.00 57.97 61.49 2x7i h PHE 75 Cb -0.02 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 2x7i h PHE 75 CO -0.04 0.89 -0.51 0.28 -2.23 0.00 0.00 178.31 176.70 2x7i h VAL 76 N 0.97 1.34 0.12 1.41 2.07 -0.76 -3.06 116.25 118.32 2x7i h VAL 76 Ca 0.20 -1.75 -0.25 0.00 0.82 0.00 0.00 66.70 65.72 2x7i h VAL 76 Cb 0.38 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2x7i h VAL 76 CO 0.01 0.53 -1.25 -0.33 0.02 0.00 0.00 177.57 176.55 2x7i h GLU 77 N 0.30 0.24 -0.97 1.57 4.39 -1.17 -1.02 114.58 117.92 2x7i h GLU 77 Ca 0.01 -0.42 0.11 0.00 0.34 0.00 0.00 59.36 59.41 2x7i h GLU 77 Cb 1.00 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.73 2x7i h GLU 77 CO 0.09 1.20 0.62 1.25 -1.16 0.00 0.00 179.01 181.00 2x7i h LEU 78 N -0.36 0.89 -2.95 1.33 5.85 -1.23 -2.78 115.31 116.05 2x7i h LEU 78 Ca -0.26 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2x7i h LEU 78 Cb 1.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.59 2x7i h LEU 78 CO 0.07 0.49 0.00 0.59 -0.34 0.00 0.00 178.44 179.25 2x7i n ASN 79 N -4.58 4.02 -4.19 1.25 3.02 -1.16 -4.97 115.26 108.65 2x7i n ASN 79 Ca 0.18 -2.23 -0.32 0.00 -0.03 0.00 0.00 54.58 52.18 2x7i n ASN 79 Cb 0.34 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 2x7i n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x7i n ASN 80 N 1.07 -1.20 -4.61 6.41 5.03 -1.05 -4.88 115.26 116.03 2x7i n ASN 80 Ca 0.22 -1.09 -0.43 0.00 0.87 0.00 0.00 54.58 54.14 2x7i n ASN 80 Cb 0.69 -2.48 -0.02 0.00 -1.02 0.00 0.00 39.78 36.96 2x7i n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2x7i s ILE 81 N -3.75 4.15 -0.11 2.41 1.01 -0.41 -4.88 121.20 119.61 2x7i s ILE 81 Ca 0.34 1.22 0.22 0.00 0.00 0.00 0.00 60.65 62.43 2x7i s ILE 81 Cb -0.19 -4.37 -0.21 0.00 0.01 0.00 0.00 42.46 37.70 2x7i s ILE 81 CO 0.94 -0.75 0.67 0.35 0.00 0.00 0.00 174.94 176.15 2x7i n THR 82 N 6.64 0.34 -2.75 2.92 -2.24 -1.26 -4.88 114.28 113.05 2x7i n THR 82 Ca 0.14 -0.54 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 2x7i n THR 82 Cb 0.48 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 2x7i n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2x7i s GLU 83 N -3.39 4.43 0.20 -0.78 2.02 -1.26 -5.01 118.70 114.92 2x7i s GLU 83 Ca -0.05 1.31 -0.33 0.00 0.02 0.00 0.00 54.97 55.92 2x7i s GLU 83 Cb 0.12 -2.61 -0.14 0.00 0.10 0.00 0.00 34.13 31.60 2x7i s GLU 83 CO 0.86 0.14 1.46 -2.30 0.02 0.00 0.00 175.26 175.44 2x7i n PRO 84 N 0.18 2.02 -5.27 0.39 -0.02 -1.26 -4.86 135.00 126.17 2x7i n PRO 84 Ca 0.04 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 2x7i n PRO 84 Cb 0.51 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 2x7i n PRO 84 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x7i s LEU 85 N 0.43 2.06 -0.25 2.45 1.43 -1.26 -0.11 118.68 123.42 2x7i s LEU 85 Ca 0.73 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2x7i s LEU 85 Cb -0.68 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2x7i s LEU 85 CO 0.45 0.28 -0.01 0.00 0.23 0.00 0.00 176.35 177.29 2x7i s ALA 86 N -0.37 2.85 -0.15 4.21 0.00 0.05 -1.32 121.76 127.02 2x7i s ALA 86 Ca 0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 2x7i s ALA 86 Cb -0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2x7i s ALA 86 CO 0.01 -0.69 -0.07 0.08 0.00 0.00 0.00 175.76 175.10 2x7i s VAL 87 N 1.44 3.60 -0.07 0.00 1.01 0.29 -1.00 120.40 125.67 2x7i s VAL 87 Ca 0.03 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2x7i s VAL 87 Cb -0.16 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.67 2x7i s VAL 87 CO -0.02 0.50 -0.16 -0.89 0.00 0.00 0.00 175.10 174.53 2x7i s THR 88 N 0.40 1.45 -0.10 3.92 2.01 -0.08 0.13 115.64 123.36 2x7i s THR 88 Ca -0.06 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2x7i s THR 88 Cb -0.15 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.09 2x7i s THR 88 CO 0.04 0.42 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.59 2x7i s ILE 89 N 0.49 1.62 -0.10 1.82 1.01 -0.31 -0.59 121.20 125.14 2x7i s ILE 89 Ca -0.15 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2x7i s ILE 89 Cb -0.16 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 2x7i s ILE 89 CO 0.05 0.46 -0.18 -1.10 0.00 0.00 0.00 174.94 174.18 2x7i s GLN 90 N 0.78 3.11 -0.00 2.79 -0.21 0.29 -0.55 119.66 125.86 2x7i s GLN 90 Ca -0.11 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.54 2x7i s GLN 90 Cb -0.16 -2.46 -0.01 0.00 1.00 0.00 0.00 33.01 31.39 2x7i s GLN 90 CO 0.01 0.26 -0.11 -0.08 -2.12 0.00 0.00 175.29 173.26 2x7i s THR 91 N 0.18 0.85 -1.60 -0.19 -1.32 -0.81 -1.41 115.64 111.34 2x7i s THR 91 Ca -0.10 -0.51 0.24 0.00 -1.21 0.00 0.00 61.69 60.11 2x7i s THR 91 Cb -0.16 -0.72 0.02 0.00 -1.51 0.00 0.00 72.50 70.13 2x7i s THR 91 CO 0.06 0.21 1.22 -3.20 -2.21 0.00 0.00 174.62 170.70 2x7i n ASN 92 N 2.72 1.34 -4.58 8.08 5.15 -1.02 -2.40 115.26 124.55 2x7i n ASN 92 Ca -0.14 -1.07 -0.34 0.00 -0.60 0.00 0.00 54.58 52.43 2x7i n ASN 92 Cb 0.56 0.47 -0.11 0.00 -0.53 0.00 0.00 39.78 40.17 2x7i n ASN 92 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x7i s LEU 93 N -2.66 3.33 0.53 1.20 1.43 -1.26 -4.89 118.68 116.36 2x7i s LEU 93 Ca 0.17 -0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 2x7i s LEU 93 Cb 0.18 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 2x7i s LEU 93 CO 0.64 0.29 1.00 -2.16 0.23 0.00 0.00 176.35 176.35 2x7i s PRO 94 N -0.37 3.81 0.37 1.29 0.04 -1.26 -4.97 135.00 133.90 2x7i s PRO 94 Ca 0.06 1.00 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 2x7i s PRO 94 Cb -0.12 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 2x7i s PRO 94 CO 0.02 -0.39 0.99 -1.25 0.04 0.00 0.00 177.00 176.41 2x7i s PRO 95 N -4.10 4.38 -1.21 0.56 0.04 -1.26 -4.32 135.00 129.08 2x7i s PRO 95 Ca 0.60 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2x7i s PRO 95 Cb -0.11 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2x7i s PRO 95 CO 0.33 0.08 0.00 0.43 0.04 0.00 0.00 177.00 177.88 2x7i n SER 96 N 0.14 -4.25 -0.84 6.66 7.64 -1.26 -4.88 113.62 116.83 2x7i n SER 96 Ca 0.04 0.11 0.08 0.00 1.01 0.00 0.00 58.87 60.11 2x7i n SER 96 Cb 0.50 -3.24 0.19 0.00 -1.01 0.00 0.00 64.21 60.66 2x7i n SER 96 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2x7i n ARG 97 N -2.39 2.67 -1.03 1.43 5.12 -1.26 -4.89 116.66 116.31 2x7i n ARG 97 Ca -0.15 -2.17 -0.01 0.00 -1.93 0.00 0.00 57.85 53.60 2x7i n ARG 97 Cb 0.55 -1.36 -0.01 0.00 -1.16 0.00 0.00 32.46 30.49 2x7i n ARG 97 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2x7i n GLY 98 N 0.87 0.50 0.64 -0.13 0.00 -1.26 -3.62 105.19 102.18 2x7i n GLY 98 Ca 0.15 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.59 2x7i n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x7i n LEU 99 N -0.13 1.86 -0.23 0.99 4.77 -1.26 -4.55 117.00 118.45 2x7i n LEU 99 Ca -0.01 -0.90 -0.01 0.00 -0.03 0.00 0.00 56.01 55.05 2x7i n LEU 99 Cb 0.05 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2x7i n LEU 99 CO 0.02 0.45 -0.01 0.61 -1.33 0.00 0.00 177.39 177.13 2x7i n GLY 100 N 1.08 0.47 0.06 -0.72 0.00 -1.25 -1.27 105.19 103.56 2x7i n GLY 100 Ca 0.13 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2x7i n GLY 100 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2x7i h SER 101 N -0.03 0.05 -0.62 1.61 0.87 -1.90 0.14 113.55 113.68 2x7i h SER 101 Ca -0.02 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2x7i h SER 101 Cb 1.02 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.92 2x7i h SER 101 CO 0.02 0.17 0.39 -1.28 -0.53 0.00 0.00 176.83 175.60 2x7i h SER 102 N -0.07 0.64 -0.36 6.23 0.87 -1.97 -1.70 113.55 117.20 2x7i h SER 102 Ca 0.01 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 2x7i h SER 102 Cb 0.13 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2x7i h SER 102 CO -0.00 0.45 -0.32 0.00 -0.53 0.00 0.00 176.83 176.44 2x7i h ALA 103 N 1.26 0.69 0.22 6.23 0.00 -1.91 -2.43 119.26 123.31 2x7i h ALA 103 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2x7i h ALA 103 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2x7i h ALA 103 CO -0.09 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.70 2x7i h ALA 104 N 0.89 -0.33 -0.72 0.00 0.00 -0.47 0.16 119.26 118.80 2x7i h ALA 104 Ca 0.08 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2x7i h ALA 104 Cb 0.88 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2x7i h ALA 104 CO 0.08 -0.69 0.33 0.28 0.00 0.00 0.00 179.25 179.25 2x7i h VAL 105 N -0.34 0.78 -0.38 0.00 2.07 -1.34 -0.20 116.25 116.85 2x7i h VAL 105 Ca -0.02 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2x7i h VAL 105 Cb 0.28 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2x7i h VAL 105 CO 0.03 0.10 -0.06 0.00 0.02 0.00 0.00 177.57 177.66 2x7i h ALA 106 N 1.46 0.52 -0.49 1.67 0.00 -1.06 0.27 119.26 121.63 2x7i h ALA 106 Ca 0.37 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2x7i h ALA 106 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2x7i h ALA 106 CO -0.31 0.36 0.10 0.28 0.00 0.00 0.00 179.25 179.67 2x7i h VAL 107 N 0.53 1.25 -0.32 0.00 2.07 -0.67 -1.71 116.25 117.39 2x7i h VAL 107 Ca 0.10 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 2x7i h VAL 107 Cb 0.56 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2x7i h VAL 107 CO 0.03 0.32 0.10 0.00 0.02 0.00 0.00 177.57 178.04 2x7i h ALA 108 N 0.98 0.42 -0.65 1.67 0.00 -0.88 -1.90 119.26 118.90 2x7i h ALA 108 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2x7i h ALA 108 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2x7i h ALA 108 CO 0.01 0.06 0.18 0.35 0.00 0.00 0.00 179.25 179.85 2x7i h PHE 109 N 0.36 1.06 -0.31 0.00 3.57 -0.41 -0.93 116.94 120.29 2x7i h PHE 109 Ca 0.10 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2x7i h PHE 109 Cb 0.25 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2x7i h PHE 109 CO 0.01 0.87 -0.06 0.28 -2.23 0.00 0.00 178.31 177.18 2x7i h VAL 110 N 0.95 1.28 0.04 1.41 2.07 -1.27 -0.27 116.25 120.45 2x7i h VAL 110 Ca 0.21 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2x7i h VAL 110 Cb 0.32 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2x7i h VAL 110 CO -0.00 0.35 -0.24 0.03 0.02 0.00 0.00 177.57 177.72 2x7i h ARG 111 N 0.36 -0.38 -0.90 1.57 3.08 -1.24 -1.57 114.38 115.30 2x7i h ARG 111 Ca 0.08 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.29 2x7i h ARG 111 Cb 0.54 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.58 2x7i h ARG 111 CO 0.03 -0.25 0.51 0.00 -1.07 0.00 0.00 179.97 179.19 2x7i h ALA 112 N 0.42 1.36 -0.07 0.04 0.00 -1.08 -1.03 119.26 118.91 2x7i h ALA 112 Ca 0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2x7i h ALA 112 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2x7i h ALA 112 CO -0.19 0.03 0.03 0.77 0.00 0.00 0.00 179.25 179.89 2x7i h SER 113 N 0.77 0.10 -0.64 0.00 0.02 -0.58 -0.45 113.55 112.76 2x7i h SER 113 Ca 0.47 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2x7i h SER 113 Cb 0.58 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2x7i h SER 113 CO -0.32 0.23 0.09 1.88 -1.14 0.00 0.00 176.83 177.57 2x7i h TYR 114 N -0.04 1.15 -0.73 3.45 -1.99 -1.02 -1.93 116.97 115.88 2x7i h TYR 114 Ca 0.02 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.57 2x7i h TYR 114 Cb 0.16 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.54 2x7i h TYR 114 CO -0.02 0.97 0.39 0.22 -0.00 0.00 0.00 178.16 179.72 2x7i h ASP 115 N 1.01 0.92 -0.14 3.88 3.58 -1.01 0.16 116.42 124.81 2x7i h ASP 115 Ca 0.20 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2x7i h ASP 115 Cb 0.46 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2x7i h ASP 115 CO 0.02 0.76 0.08 0.15 -2.88 0.00 0.00 179.24 177.37 2x7i h PHE 116 N 1.01 0.15 0.00 0.28 3.57 -0.90 -2.69 116.94 118.36 2x7i h PHE 116 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2x7i h PHE 116 Cb 0.05 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2x7i h PHE 116 CO 0.00 0.09 0.00 1.28 -2.23 0.00 0.00 178.31 177.45 2x7i n LEU 117 N -5.01 0.00 -0.27 0.59 4.77 -0.74 -3.84 117.00 112.49 2x7i n LEU 117 Ca -0.04 0.49 -0.03 0.00 -0.03 0.00 0.00 56.01 56.39 2x7i n LEU 117 Cb 0.04 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 2x7i n LEU 117 CO 0.33 -0.13 -0.03 0.61 -1.33 0.00 0.00 177.39 176.84 2x7i n GLY 118 N 0.69 0.50 3.87 -0.72 0.00 -0.33 -4.86 105.19 104.34 2x7i n GLY 118 Ca 0.05 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2x7i n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x7i s LYS 119 N -2.86 3.54 0.31 1.61 1.02 0.41 -5.00 119.74 118.77 2x7i s LYS 119 Ca 0.00 -0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 2x7i s LYS 119 Cb 0.00 -3.18 -0.10 0.00 -0.52 0.00 0.00 37.83 34.03 2x7i s LYS 119 CO 0.00 0.75 1.22 -1.54 -0.92 0.00 0.00 175.35 174.86 2x7i s SER 120 N -1.16 6.96 -0.22 2.83 1.04 -1.26 -4.48 113.70 117.41 2x7i s SER 120 Ca 0.19 2.52 -0.00 0.00 0.48 0.00 0.00 55.95 59.14 2x7i s SER 120 Cb -0.13 -2.64 0.06 0.00 0.10 0.00 0.00 66.02 63.41 2x7i s SER 120 CO 0.08 -0.38 -0.03 -0.22 0.98 0.00 0.00 173.24 173.66 2x7i s LEU 121 N -1.67 2.18 0.58 2.42 2.96 -1.26 -5.10 118.68 118.79 2x7i s LEU 121 Ca 0.47 -1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 2x7i s LEU 121 Cb -0.37 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.25 2x7i s LEU 121 CO 0.48 -0.25 0.99 -0.89 -1.32 0.00 0.00 176.35 175.36 2x7i s THR 122 N 1.52 4.71 0.10 3.68 2.01 -1.26 -4.94 115.64 121.45 2x7i s THR 122 Ca -0.04 0.85 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 2x7i s THR 122 Cb -0.18 -3.84 -0.12 0.00 0.01 0.00 0.00 72.50 68.36 2x7i s THR 122 CO -0.07 -1.02 1.61 0.11 -0.69 0.00 0.00 174.62 174.56 2x7i h LYS 123 N 0.00 -0.69 -0.23 4.92 1.57 -1.99 -1.44 116.57 118.71 2x7i h LYS 123 Ca -0.45 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2x7i h LYS 123 Cb 1.19 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2x7i h LYS 123 CO 0.62 -0.46 0.15 0.93 -0.57 0.00 0.00 179.45 180.12 2x7i h GLU 124 N -0.72 0.29 -0.29 3.15 4.39 -1.99 0.72 114.58 120.13 2x7i h GLU 124 Ca -0.01 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2x7i h GLU 124 Cb 0.67 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2x7i h GLU 124 CO -0.11 0.19 0.00 1.49 -1.16 0.00 0.00 179.01 179.43 2x7i h GLU 125 N 0.29 0.52 -0.61 2.33 4.81 -1.92 -1.75 114.58 118.26 2x7i h GLU 125 Ca 0.08 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2x7i h GLU 125 Cb -0.02 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2x7i h GLU 125 CO -0.02 0.66 0.38 1.25 -0.73 0.00 0.00 179.01 180.56 2x7i h LEU 126 N 0.31 0.64 -0.04 1.64 5.85 -0.19 -0.63 115.31 122.88 2x7i h LEU 126 Ca 0.08 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2x7i h LEU 126 Cb 0.42 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2x7i h LEU 126 CO 0.01 0.45 -0.13 0.40 -0.34 0.00 0.00 178.44 178.83 2x7i h ILE 127 N 0.77 0.65 -0.05 4.05 1.08 -0.75 0.25 117.51 123.50 2x7i h ILE 127 Ca 0.24 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 2x7i h ILE 127 Cb -0.02 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 2x7i h ILE 127 CO -0.08 0.00 0.03 -0.33 -0.69 0.00 0.00 178.15 177.08 2x7i h GLU 128 N -0.21 0.07 -0.29 2.37 4.39 -1.12 -1.40 114.58 118.40 2x7i h GLU 128 Ca 0.06 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 2x7i h GLU 128 Cb 0.29 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2x7i h GLU 128 CO -0.16 0.10 -0.38 0.87 -1.16 0.00 0.00 179.01 178.28 2x7i h LYS 129 N 0.03 0.68 -0.37 2.33 1.79 -0.95 -1.69 116.57 118.39 2x7i h LYS 129 Ca 0.02 -0.34 -0.09 0.00 -2.18 0.00 0.00 60.65 58.06 2x7i h LYS 129 Cb 0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2x7i h LYS 129 CO -0.00 0.95 -0.11 0.00 -1.08 0.00 0.00 179.45 179.20 2x7i h ALA 130 N 1.01 0.51 -0.83 3.86 0.00 -0.48 -0.69 119.26 122.65 2x7i h ALA 130 Ca 0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2x7i h ALA 130 Cb 0.90 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2x7i h ALA 130 CO 0.08 0.38 0.38 -0.91 0.00 0.00 0.00 179.25 179.18 2x7i h ASN 131 N 0.52 1.10 -0.58 0.00 -0.26 -1.14 -0.88 115.58 114.33 2x7i h ASN 131 Ca 0.09 -0.15 -0.07 0.00 -0.56 0.00 0.00 56.30 55.61 2x7i h ASN 131 Cb 0.63 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 2x7i h ASN 131 CO 0.04 0.94 0.09 -0.50 -1.06 0.00 0.00 177.43 176.95 2x7i h TRP 132 N 1.18 1.06 -0.44 1.19 6.55 -1.19 -2.42 115.95 121.88 2x7i h TRP 132 Ca 0.28 -0.14 -0.12 0.00 0.95 0.00 0.00 58.89 59.86 2x7i h TRP 132 Cb 0.15 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 2x7i h TRP 132 CO 0.02 0.90 -0.19 0.00 -1.05 0.00 0.00 178.44 178.11 2x7i h ALA 133 N 1.16 0.61 -0.50 1.49 0.00 -0.66 -2.11 119.26 119.25 2x7i h ALA 133 Ca 0.19 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2x7i h ALA 133 Cb 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2x7i h ALA 133 CO 0.01 0.58 0.23 0.93 0.00 0.00 0.00 179.25 180.99 2x7i h GLU 134 N 0.74 0.43 -0.22 0.00 5.08 -1.10 0.17 114.58 119.67 2x7i h GLU 134 Ca 0.10 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2x7i h GLU 134 Cb 0.76 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2x7i h GLU 134 CO 0.06 0.28 0.01 0.37 -1.00 0.00 0.00 179.01 178.73 2x7i h GLN 135 N 0.44 0.07 -0.17 2.33 5.75 -1.23 0.33 115.11 122.63 2x7i h GLN 135 Ca 0.23 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 2x7i h GLN 135 Cb 0.18 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2x7i h GLN 135 CO -0.19 0.05 -0.01 0.82 -2.65 0.00 0.00 178.83 176.85 2x7i h ILE 136 N 0.08 1.27 0.11 2.39 2.04 -1.14 0.12 117.51 122.37 2x7i h ILE 136 Ca 0.10 -0.90 -0.27 0.00 1.00 0.00 0.00 64.86 64.79 2x7i h ILE 136 Cb 0.13 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2x7i h ILE 136 CO -0.17 0.27 -1.20 0.00 0.00 0.00 0.00 178.15 177.05 2x7i h ALA 137 N 0.75 0.14 0.00 1.87 0.00 -0.61 -3.40 119.26 118.01 2x7i h ALA 137 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2x7i h ALA 137 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2x7i h ALA 137 CO 0.01 0.96 -0.06 1.58 0.00 0.00 0.00 179.25 181.75 2x7i n HIS 138 N -3.55 0.00 0.00 0.00 -0.00 0.11 -0.47 115.22 111.31 2x7i n HIS 138 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 2x7i n HIS 138 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.99 2x7i n HIS 138 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2x7i n GLY 139 N 0.94 2.45 3.45 1.57 0.00 0.42 -4.96 105.19 109.06 2x7i n GLY 139 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2x7i n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x7i s LYS 140 N -0.78 0.88 0.62 1.61 -2.85 -1.25 -4.86 119.74 113.12 2x7i s LYS 140 Ca 0.00 0.30 -0.07 0.00 -1.00 0.00 0.00 55.97 55.20 2x7i s LYS 140 Cb 0.00 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 2x7i s LYS 140 CO 0.00 -0.23 0.95 -1.25 0.10 0.00 0.00 175.35 174.92 2x7i s PRO 141 N -0.84 2.86 -0.30 1.78 0.04 -1.26 -4.02 135.00 133.26 2x7i s PRO 141 Ca -0.09 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.05 2x7i s PRO 141 Cb -0.02 -2.21 0.09 0.00 0.04 0.00 0.00 34.50 32.40 2x7i s PRO 141 CO 0.06 -0.81 0.06 0.45 0.04 0.00 0.00 177.00 176.79 2x7i s SER 142 N -4.33 4.14 0.18 6.66 0.15 -1.26 -5.00 113.70 114.25 2x7i s SER 142 Ca 0.55 -1.66 -0.12 0.00 0.70 0.00 0.00 55.95 55.42 2x7i s SER 142 Cb -0.11 -1.11 0.15 0.00 -1.71 0.00 0.00 66.02 63.24 2x7i s SER 142 CO 0.47 -0.37 1.79 1.23 1.20 0.00 0.00 173.24 177.56 2x7i h GLY 143 N 7.94 0.75 0.94 9.45 0.00 -1.98 -1.62 103.07 118.57 2x7i h GLY 143 Ca -0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2x7i h GLY 143 CO 0.47 0.12 0.04 1.19 0.00 0.00 0.00 176.54 178.36 2x7i h ILE 144 N 0.53 1.25 -0.09 2.60 2.10 -1.95 -1.67 117.51 120.29 2x7i h ILE 144 Ca 0.23 -0.92 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 2x7i h ILE 144 Cb 0.14 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 2x7i h ILE 144 CO -0.16 0.32 0.03 0.44 -1.08 0.00 0.00 178.15 177.70 2x7i h ASP 145 N 0.54 0.12 -0.48 2.19 5.19 -1.91 -0.91 116.42 121.15 2x7i h ASP 145 Ca 0.12 -0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 2x7i h ASP 145 Cb 0.41 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 2x7i h ASP 145 CO 0.01 0.25 0.18 0.74 -3.12 0.00 0.00 179.24 177.31 2x7i h THR 146 N -0.02 1.21 -0.43 0.35 2.02 -1.28 -0.91 112.91 113.86 2x7i h THR 146 Ca 0.03 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 2x7i h THR 146 Cb 0.17 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2x7i h THR 146 CO -0.00 0.25 -0.04 -0.61 0.37 0.00 0.00 175.52 175.49 2x7i h GLN 147 N 0.64 0.79 -0.25 6.66 5.75 -1.25 -0.21 115.11 127.23 2x7i h GLN 147 Ca 0.16 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2x7i h GLN 147 Cb 0.21 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2x7i h GLN 147 CO -0.01 0.88 0.14 1.15 -2.65 0.00 0.00 178.83 178.33 2x7i h THR 148 N 0.62 1.12 0.25 2.39 2.02 -1.02 -1.61 112.91 116.67 2x7i h THR 148 Ca 0.12 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2x7i h THR 148 Cb 0.55 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2x7i h THR 148 CO 0.03 0.11 -0.12 0.40 0.37 0.00 0.00 175.52 176.32 2x7i h ILE 149 N 0.29 0.80 0.09 3.11 2.04 -1.09 -1.44 117.51 121.31 2x7i h ILE 149 Ca 0.09 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2x7i h ILE 149 Cb 0.06 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2x7i h ILE 149 CO -0.01 0.06 -0.04 0.58 0.00 0.00 0.00 178.15 178.73 2x7i h VAL 150 N -0.47 1.02 0.00 1.67 2.07 -1.04 -2.95 116.25 116.56 2x7i h VAL 150 Ca -0.03 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2x7i h VAL 150 Cb 0.35 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2x7i h VAL 150 CO 0.06 0.09 -0.19 0.77 0.02 0.00 0.00 177.57 178.32 2x7i h SER 151 N -0.29 0.00 -1.03 0.57 4.64 -1.38 -3.47 113.55 112.60 2x7i h SER 151 Ca -0.01 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 2x7i h SER 151 Cb 0.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.25 2x7i h SER 151 CO 0.02 0.19 -0.28 0.61 -0.87 0.00 0.00 176.83 176.49 2x7i n GLY 152 N -0.74 0.96 3.31 -0.77 0.00 -0.55 -5.01 105.19 102.39 2x7i n GLY 152 Ca -0.02 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 2x7i n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x7i s LYS 153 N -3.60 1.23 0.50 1.61 1.02 -1.19 -4.69 119.74 114.61 2x7i s LYS 153 Ca 0.00 -1.45 -0.22 0.00 0.02 0.00 0.00 55.97 54.32 2x7i s LYS 153 Cb 0.00 -1.11 -0.06 0.00 -0.52 0.00 0.00 37.83 36.14 2x7i s LYS 153 CO 0.00 0.20 1.22 -2.14 -0.92 0.00 0.00 175.35 173.71 2x7i s PRO 154 N -3.17 3.52 -0.09 -1.68 0.02 -1.26 -4.52 135.00 127.82 2x7i s PRO 154 Ca 0.17 1.89 0.04 0.00 0.02 0.00 0.00 61.00 63.12 2x7i s PRO 154 Cb -0.03 -2.31 -0.00 0.00 0.02 0.00 0.00 34.50 32.17 2x7i s PRO 154 CO 0.06 -0.78 -0.24 0.08 -0.33 0.00 0.00 177.00 175.79 2x7i s VAL 155 N -1.50 2.04 -0.18 3.83 1.01 -0.45 -0.57 120.40 124.58 2x7i s VAL 155 Ca 0.67 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2x7i s VAL 155 Cb -0.31 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2x7i s VAL 155 CO 0.37 0.56 -0.18 0.86 0.00 0.00 0.00 175.10 176.71 2x7i s TRP 156 N 0.23 2.79 -0.12 5.22 -0.00 -0.01 -1.59 118.94 125.45 2x7i s TRP 156 Ca -0.15 -1.49 -0.05 0.00 -0.00 0.00 0.00 56.10 54.40 2x7i s TRP 156 Cb -0.17 -1.93 -0.04 0.00 -0.00 0.00 0.00 33.47 31.34 2x7i s TRP 156 CO 0.08 -0.73 0.07 -0.06 -0.00 0.00 0.00 176.95 176.31 2x7i s PHE 157 N 1.22 3.36 -0.24 5.86 0.40 -0.25 -1.03 117.98 127.30 2x7i s PHE 157 Ca 0.03 0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 56.53 2x7i s PHE 157 Cb -0.14 -1.92 0.07 0.00 0.51 0.00 0.00 43.02 41.54 2x7i s PHE 157 CO -0.10 0.50 0.58 -1.14 0.70 0.00 0.00 175.22 175.76 2x7i s GLN 158 N -0.62 0.58 5.11 0.44 2.00 -0.73 -2.38 119.66 124.06 2x7i s GLN 158 Ca 0.11 1.06 0.00 0.00 -2.00 0.00 0.00 55.36 54.54 2x7i s GLN 158 Cb -0.12 0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.78 2x7i s GLN 158 CO 0.02 -0.15 0.00 1.63 -0.50 0.00 0.00 175.29 176.29 2x7i n LYS 159 N 4.32 0.00 -0.64 1.67 5.02 -1.26 -1.44 118.16 125.84 2x7i n LYS 159 Ca -0.21 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.11 2x7i n LYS 159 Cb 0.57 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.84 2x7i n LYS 159 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x7i n GLY 160 N 0.00 4.19 3.10 0.72 0.00 -1.26 -4.21 105.19 107.73 2x7i n GLY 160 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 2x7i n GLY 160 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2x7i s HIS 161 N -2.97 0.43 0.01 1.61 -3.43 -0.52 -5.02 115.29 105.41 2x7i s HIS 161 Ca 0.45 -0.94 -0.00 0.00 -0.80 0.00 0.00 55.06 53.77 2x7i s HIS 161 Cb 0.38 -0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 31.20 2x7i s HIS 161 CO 0.07 -0.39 -0.02 0.00 -2.00 0.00 0.00 174.74 172.40 2x7i s ALA 162 N -3.71 0.07 0.04 -1.38 0.00 -1.26 -1.78 121.76 113.74 2x7i s ALA 162 Ca 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2x7i s ALA 162 Cb 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2x7i s ALA 162 CO -0.09 -0.10 -0.03 -1.21 0.00 0.00 0.00 175.76 174.32 2x7i s GLU 163 N -0.90 0.50 -0.23 0.00 0.41 -0.19 -5.00 118.70 113.29 2x7i s GLU 163 Ca -0.10 -0.96 -0.06 0.00 -0.41 0.00 0.00 54.97 53.43 2x7i s GLU 163 Cb -0.06 0.12 -0.03 0.00 -1.78 0.00 0.00 34.13 32.38 2x7i s GLU 163 CO -0.01 -0.07 0.04 0.99 -0.49 0.00 0.00 175.26 175.72 2x7i s THR 164 N -2.81 4.16 0.88 3.63 2.01 -1.26 -0.83 115.64 121.42 2x7i s THR 164 Ca -0.03 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 2x7i s THR 164 Cb -0.00 -2.92 0.19 0.00 0.01 0.00 0.00 72.50 69.78 2x7i s THR 164 CO -0.06 0.38 1.20 -0.76 -0.69 0.00 0.00 174.62 174.70 2x7i s LEU 165 N 1.36 2.83 0.73 4.42 1.43 0.26 -5.01 118.68 124.71 2x7i s LEU 165 Ca 0.05 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 2x7i s LEU 165 Cb -0.15 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.13 2x7i s LEU 165 CO 0.02 -2.48 1.09 -0.54 0.23 0.00 0.00 176.35 174.67 2x7i s LYS 166 N -5.61 2.67 0.27 1.70 1.02 -1.26 -4.37 119.74 114.16 2x7i s LYS 166 Ca 0.72 0.59 -0.28 0.00 0.02 0.00 0.00 55.97 57.02 2x7i s LYS 166 Cb -0.03 -1.99 -0.15 0.00 -0.52 0.00 0.00 37.83 35.14 2x7i s LYS 166 CO 0.50 -1.20 0.82 2.41 -0.92 0.00 0.00 175.35 176.96 2x7i n THR 167 N -3.14 1.99 -2.01 2.17 -1.04 -1.26 -4.33 114.28 106.65 2x7i n THR 167 Ca 0.07 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 2x7i n THR 167 Cb 0.56 -0.64 -0.03 0.00 -1.82 0.00 0.00 70.33 68.40 2x7i n THR 167 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2x7i s LEU 168 N 1.37 4.36 -0.33 -4.42 2.96 -1.26 -4.97 118.68 116.38 2x7i s LEU 168 Ca 0.61 2.44 -0.00 0.00 -0.22 0.00 0.00 54.13 56.96 2x7i s LEU 168 Cb -0.77 -3.58 0.13 0.00 0.50 0.00 0.00 46.19 42.48 2x7i s LEU 168 CO 0.59 -0.80 0.24 -0.55 -1.32 0.00 0.00 176.35 174.51 2x7i s SER 169 N 1.74 2.48 -0.06 3.68 0.15 -1.24 -4.45 113.70 116.01 2x7i s SER 169 Ca 0.70 -1.62 0.04 0.00 0.70 0.00 0.00 55.95 55.77 2x7i s SER 169 Cb -0.39 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2x7i s SER 169 CO 0.31 -0.34 -0.17 -0.76 1.20 0.00 0.00 173.24 173.47 2x7i s LEU 170 N 1.59 1.88 -1.24 3.45 1.43 -0.12 -4.49 118.68 121.18 2x7i s LEU 170 Ca 0.14 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 2x7i s LEU 170 Cb -0.18 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.06 2x7i s LEU 170 CO -0.14 0.13 1.75 -0.62 0.23 0.00 0.00 176.35 177.70 2x7i s ASP 171 N 0.22 6.45 0.00 2.29 3.68 -1.26 -1.39 116.67 126.66 2x7i s ASP 171 Ca -0.09 -2.18 0.00 0.00 2.13 0.00 0.00 52.55 52.42 2x7i s ASP 171 Cb -0.14 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.75 2x7i s ASP 171 CO 0.04 -1.58 0.00 0.61 0.13 0.00 0.00 175.17 174.37 2x7i n GLY 172 N 5.65 -1.45 3.16 2.66 0.00 -1.26 -4.89 105.19 109.05 2x7i n GLY 172 Ca 0.46 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 2x7i n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x7i s TYR 173 N -2.48 1.07 -0.11 1.61 1.51 0.19 -1.53 117.35 117.62 2x7i s TYR 173 Ca 0.00 -0.56 -0.00 0.00 -1.01 0.00 0.00 57.07 55.50 2x7i s TYR 173 Cb 0.00 -0.60 0.02 0.00 -0.11 0.00 0.00 41.96 41.28 2x7i s TYR 173 CO 0.00 0.02 -0.08 1.41 -1.11 0.00 0.00 175.55 175.79 2x7i s MET 174 N -2.23 1.53 -0.15 -0.62 1.75 -0.38 -0.51 119.30 118.70 2x7i s MET 174 Ca 0.01 -0.26 -0.23 0.00 -1.25 0.00 0.00 55.69 53.96 2x7i s MET 174 Cb -0.07 -1.57 -0.03 0.00 2.84 0.00 0.00 34.83 36.01 2x7i s MET 174 CO 0.01 -0.24 0.70 0.08 -0.65 0.00 0.00 175.02 174.92 2x7i s VAL 175 N 1.62 5.00 -0.24 10.11 1.01 0.18 -0.90 120.40 137.18 2x7i s VAL 175 Ca 0.03 1.38 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 2x7i s VAL 175 Cb -0.13 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2x7i s VAL 175 CO -0.07 0.14 0.09 -0.69 0.00 0.00 0.00 175.10 174.57 2x7i s VAL 176 N 1.58 4.59 -0.11 2.92 1.01 -0.07 -0.56 120.40 129.77 2x7i s VAL 176 Ca 0.34 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.26 2x7i s VAL 176 Cb -0.17 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 2x7i s VAL 176 CO 0.13 0.35 -0.17 -0.63 0.00 0.00 0.00 175.10 174.78 2x7i s ILE 177 N 1.39 2.72 -0.21 2.22 1.01 0.12 -1.14 121.20 127.31 2x7i s ILE 177 Ca 0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 2x7i s ILE 177 Cb -0.15 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2x7i s ILE 177 CO 0.05 0.54 0.06 -0.62 0.00 0.00 0.00 174.94 174.97 2x7i s ASP 178 N 0.18 5.32 0.00 3.58 3.68 -0.14 -0.16 116.67 129.13 2x7i s ASP 178 Ca -0.10 -0.08 0.28 0.00 2.13 0.00 0.00 52.55 54.79 2x7i s ASP 178 Cb -0.16 -1.93 1.11 0.00 -1.45 0.00 0.00 42.92 40.50 2x7i s ASP 178 CO 0.06 0.07 1.80 0.35 0.13 0.00 0.00 175.17 177.58 2x7i n THR 179 N 4.22 0.00 -3.91 1.71 -2.24 -1.26 -2.04 114.28 110.76 2x7i n THR 179 Ca -0.16 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2x7i n THR 179 Cb 0.52 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2x7i n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x7i n GLY 180 N 1.37 -1.65 0.00 3.38 0.00 -1.26 -4.47 105.19 102.56 2x7i n GLY 180 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2x7i n GLY 180 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2x7i n VAL 181 N 0.00 0.00 0.00 1.61 0.31 -1.26 -0.97 118.33 118.01 2x7i n VAL 181 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2x7i n VAL 181 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2x7i n VAL 181 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2x7i n SER 184 N 0.00 0.00 0.00 4.52 2.88 -1.26 -4.75 113.62 115.01 2x7i n SER 184 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2x7i n SER 184 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2x7i n SER 184 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2x7i n THR 185 N 0.00 0.00 -3.14 2.46 -1.04 -1.26 -5.02 114.28 106.28 2x7i n THR 185 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 2x7i n THR 185 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2x7i n THR 185 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2x7i s ARG 186 N 0.00 4.16 0.44 -2.82 1.81 -1.26 -5.03 118.95 116.24 2x7i s ARG 186 Ca 0.00 0.77 -0.23 0.00 -1.72 0.00 0.00 55.73 54.55 2x7i s ARG 186 Cb 0.00 -2.77 -0.08 0.00 -0.45 0.00 0.00 34.95 31.65 2x7i s ARG 186 CO 0.00 0.34 1.10 -0.65 -0.68 0.00 0.00 175.30 175.41 2x7i s GLN 187 N -2.24 3.92 -1.28 3.54 -1.52 -1.26 -4.64 119.66 116.18 2x7i s GLN 187 Ca 0.45 1.62 -0.16 0.00 -1.95 0.00 0.00 55.36 55.32 2x7i s GLN 187 Cb -0.15 -2.42 -0.01 0.00 -0.22 0.00 0.00 33.01 30.21 2x7i s GLN 187 CO 0.20 -0.38 2.12 0.00 -0.25 0.00 0.00 175.29 176.99 2x7i n ALA 188 N -0.38 4.83 -2.41 6.09 0.00 -0.15 -4.89 120.51 123.60 2x7i n ALA 188 Ca 0.07 -3.73 -0.23 0.00 0.00 0.00 0.00 53.44 49.54 2x7i n ALA 188 Cb 0.49 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.31 2x7i n ALA 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2x7i s VAL 189 N 3.84 2.59 0.00 0.00 -7.23 -1.26 -4.86 120.40 113.48 2x7i s VAL 189 Ca 0.50 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 2x7i s VAL 189 Cb 0.13 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2x7i s VAL 189 CO -0.03 -0.05 0.00 1.41 -0.31 0.00 0.00 175.10 176.12 2x7i n HIS 190 N -1.28 0.00 0.00 2.82 8.25 -0.53 -5.06 115.22 119.42 2x7i n HIS 190 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2x7i n HIS 190 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2x7i n HIS 190 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2x7i n PRO 199 N 0.00 0.00 -0.26 -0.41 -0.04 -1.26 -4.97 135.00 128.06 2x7i n PRO 199 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2x7i n PRO 199 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2x7i n PRO 199 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2x7i n GLN 200 N -0.74 0.00 0.29 0.54 7.27 -1.26 -4.84 117.38 118.64 2x7i n GLN 200 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 57.00 57.24 2x7i n GLN 200 Cb 0.00 -2.68 0.82 0.00 2.41 0.00 0.00 30.24 30.79 2x7i n GLN 200 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 2x7i h TYR 201 N 0.00 0.00 -0.66 3.69 3.20 -2.01 -3.13 116.97 118.06 2x7i h TYR 201 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2x7i h TYR 201 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2x7i h TYR 201 CO 0.00 0.04 0.19 0.52 -1.64 0.00 0.00 178.16 177.27 2x7i h MET 202 N 0.00 1.01 -0.16 1.82 2.86 -1.97 -2.40 114.93 116.09 2x7i h MET 202 Ca -0.00 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.32 2x7i h MET 202 Cb 0.36 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2x7i h MET 202 CO 0.01 0.88 -0.36 0.66 1.06 0.00 0.00 176.91 179.15 2x7i h SER 203 N 0.97 0.36 -0.58 1.22 4.64 -1.97 -0.06 113.55 118.14 2x7i h SER 203 Ca 0.21 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 2x7i h SER 203 Cb 0.30 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2x7i h SER 203 CO -0.01 0.70 0.08 -0.74 -0.87 0.00 0.00 176.83 175.99 2x7i h HIS 204 N 0.29 1.03 -0.17 4.77 6.17 -1.57 0.09 115.15 125.76 2x7i h HIS 204 Ca 0.03 -0.15 -0.16 0.00 0.71 0.00 0.00 60.37 60.81 2x7i h HIS 204 Cb 0.78 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 30.42 2x7i h HIS 204 CO 0.02 0.90 -0.55 0.28 0.71 0.00 0.00 177.93 179.29 2x7i h VAL 205 N 0.86 1.33 -0.51 5.26 2.07 -1.28 -0.20 116.25 123.78 2x7i h VAL 205 Ca 0.17 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.90 2x7i h VAL 205 Cb 0.43 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2x7i h VAL 205 CO 0.01 0.56 0.32 0.50 0.02 0.00 0.00 177.57 178.98 2x7i h LYS 206 N 0.40 0.62 -0.20 1.57 3.64 -0.87 -2.99 116.57 118.74 2x7i h LYS 206 Ca 0.01 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 2x7i h LYS 206 Cb 1.09 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2x7i h LYS 206 CO 0.10 0.41 -0.55 0.45 -2.27 0.00 0.00 179.45 177.59 2x7i h HIS 207 N 0.64 0.75 0.00 1.91 3.86 -0.57 -2.86 115.15 118.88 2x7i h HIS 207 Ca 0.20 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 2x7i h HIS 207 Cb -0.02 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 2x7i h HIS 207 CO -0.05 1.01 -0.23 -0.84 0.86 0.00 0.00 177.93 178.67 2x7i h ILE 208 N 0.46 0.80 -0.35 2.45 -0.00 -1.03 -2.44 117.51 117.39 2x7i h ILE 208 Ca 0.01 -0.94 0.07 0.00 -0.00 0.00 0.00 64.86 64.00 2x7i h ILE 208 Cb 1.10 1.57 -0.09 0.00 -0.00 0.00 0.00 36.82 39.40 2x7i h ILE 208 CO 0.11 0.23 -0.39 1.23 -0.00 0.00 0.00 178.15 179.32 2x7i h GLY 209 N 1.25 -0.49 1.51 0.16 0.00 -1.35 0.56 103.07 104.71 2x7i h GLY 209 Ca -0.00 0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 2x7i h GLY 209 CO 0.03 -0.20 0.05 0.07 0.00 0.00 0.00 176.54 176.49 2x7i h LYS 210 N -0.34 0.62 -0.10 4.80 2.10 -1.53 -2.69 116.57 119.44 2x7i h LYS 210 Ca 0.14 -0.13 -0.09 0.00 -2.00 0.00 0.00 60.65 58.57 2x7i h LYS 210 Cb 0.58 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 2x7i h LYS 210 CO -0.52 0.61 -0.34 -0.07 -2.00 0.00 0.00 179.45 177.12 2x7i h LEU 211 N 0.60 0.19 -1.01 7.07 3.38 -0.82 -2.28 115.31 122.44 2x7i h LEU 211 Ca 0.13 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2x7i h LEU 211 Cb 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2x7i h LEU 211 CO 0.01 0.53 -0.28 0.58 0.09 0.00 0.00 178.44 179.36 2x7i h VAL 212 N 0.17 1.27 -0.26 1.22 2.07 0.30 -1.46 116.25 119.56 2x7i h VAL 212 Ca 0.02 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 2x7i h VAL 212 Cb 0.69 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2x7i h VAL 212 CO 0.05 0.39 -0.08 0.25 0.02 0.00 0.00 177.57 178.20 2x7i h LEU 213 N 0.32 0.52 -1.02 2.57 5.85 -1.12 -2.13 115.31 120.31 2x7i h LEU 213 Ca 0.05 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 2x7i h LEU 213 Cb 0.67 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2x7i h LEU 213 CO 0.05 0.78 -0.15 0.03 -0.34 0.00 0.00 178.44 178.81 2x7i h ARG 214 N 0.26 0.52 -0.27 1.25 3.08 -1.41 -3.06 114.38 114.75 2x7i h ARG 214 Ca 0.06 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 2x7i h ARG 214 Cb 0.57 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2x7i h ARG 214 CO 0.03 0.66 -0.06 0.00 -1.07 0.00 0.00 179.97 179.53 2x7i h ALA 215 N 1.36 1.39 -0.18 0.04 0.00 -1.07 -1.57 119.26 119.23 2x7i h ALA 215 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2x7i h ALA 215 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2x7i h ALA 215 CO 0.03 0.42 0.06 0.66 0.00 0.00 0.00 179.25 180.43 2x7i h SER 216 N 0.41 0.26 -0.19 0.00 4.64 -1.28 -0.61 113.55 116.79 2x7i h SER 216 Ca 0.09 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 2x7i h SER 216 Cb 0.37 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2x7i h SER 216 CO 0.02 0.38 -0.01 0.44 -0.87 0.00 0.00 176.83 176.80 2x7i h ASP 217 N 0.13 0.33 -0.97 4.97 5.19 -1.57 -1.23 116.42 123.27 2x7i h ASP 217 Ca 0.06 -0.32 0.17 0.00 -0.62 0.00 0.00 57.03 56.32 2x7i h ASP 217 Cb 0.21 -0.09 -0.10 0.00 0.18 0.00 0.00 39.33 39.53 2x7i h ASP 217 CO -0.00 0.56 0.57 0.58 -3.12 0.00 0.00 179.24 177.83 2x7i h VAL 218 N 0.08 0.75 -0.06 -1.35 2.07 -1.24 -0.82 116.25 115.68 2x7i h VAL 218 Ca 0.05 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 2x7i h VAL 218 Cb 0.40 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2x7i h VAL 218 CO 0.01 0.14 -0.69 0.40 0.02 0.00 0.00 177.57 177.45 2x7i h ILE 219 N 0.77 1.35 -0.03 4.57 2.04 -0.98 -1.27 117.51 123.96 2x7i h ILE 219 Ca 0.54 -2.01 0.01 0.00 1.00 0.00 0.00 64.86 64.39 2x7i h ILE 219 Cb 0.77 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2x7i h ILE 219 CO -0.36 0.61 0.02 -0.33 0.00 0.00 0.00 178.15 178.09 2x7i h GLU 220 N 0.18 0.00 -0.32 2.37 5.08 -0.64 -2.70 114.58 118.55 2x7i h GLU 220 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2x7i h GLU 220 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2x7i h GLU 220 CO 0.14 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.87 2x7i n HIS 221 N -4.16 0.58 -3.47 4.33 8.25 -0.36 -5.00 115.22 115.38 2x7i n HIS 221 Ca -0.02 -0.60 -0.21 0.00 -0.26 0.00 0.00 57.72 56.64 2x7i n HIS 221 Cb 0.11 -0.10 0.08 0.00 1.12 0.00 0.00 29.99 31.20 2x7i n HIS 221 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2x7i n HIS 222 N 0.24 -2.52 -3.53 4.41 8.25 -0.88 -4.95 115.22 116.24 2x7i n HIS 222 Ca 0.14 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 58.12 2x7i n HIS 222 Cb 0.54 -4.83 -0.07 0.00 1.12 0.00 0.00 29.99 26.75 2x7i n HIS 222 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2x7i s LYS 223 N -5.94 2.75 0.08 -0.41 2.20 -0.53 -4.68 119.74 113.19 2x7i s LYS 223 Ca 0.38 -2.07 -0.18 0.00 -0.36 0.00 0.00 55.97 53.74 2x7i s LYS 223 Cb -0.17 -4.00 -0.10 0.00 -1.51 0.00 0.00 37.83 32.05 2x7i s LYS 223 CO 0.69 -1.22 1.45 0.35 -0.36 0.00 0.00 175.35 176.25 2x7i h PHE 224 N 8.03 0.56 -0.76 4.03 3.57 -1.90 -2.61 116.94 127.86 2x7i h PHE 224 Ca -0.11 -0.14 0.10 0.00 3.53 0.00 0.00 57.97 61.35 2x7i h PHE 224 Cb 1.04 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 2x7i h PHE 224 CO 0.74 0.75 0.39 1.05 -2.23 0.00 0.00 178.31 179.01 2x7i h GLU 225 N 0.21 0.64 -0.41 1.11 -0.00 -1.94 -0.83 114.58 113.36 2x7i h GLU 225 Ca 0.06 -0.04 -0.12 0.00 -0.00 0.00 0.00 59.36 59.26 2x7i h GLU 225 Cb 0.59 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 2x7i h GLU 225 CO 0.03 0.42 -0.22 0.00 -0.00 0.00 0.00 179.01 179.25 2x7i h ALA 226 N 1.45 0.85 -0.49 1.06 0.00 -1.95 -1.01 119.26 119.17 2x7i h ALA 226 Ca 0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2x7i h ALA 226 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2x7i h ALA 226 CO -0.27 0.64 0.09 1.25 0.00 0.00 0.00 179.25 180.96 2x7i h LEU 227 N 0.71 0.70 -0.13 0.00 5.85 -1.06 -0.49 115.31 120.90 2x7i h LEU 227 Ca 0.10 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2x7i h LEU 227 Cb 0.74 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2x7i h LEU 227 CO 0.06 0.71 0.06 0.00 -0.34 0.00 0.00 178.44 178.93 2x7i h ALA 228 N 1.38 0.15 -0.18 1.25 0.00 -0.66 0.50 119.26 121.70 2x7i h ALA 228 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2x7i h ALA 228 Cb 0.31 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2x7i h ALA 228 CO 0.00 -0.38 -0.29 0.22 0.00 0.00 0.00 179.25 178.81 2x7i h ASP 229 N 0.14 -0.90 -0.71 0.00 3.58 -0.83 -1.53 116.42 116.17 2x7i h ASP 229 Ca 0.05 0.14 0.04 0.00 0.42 0.00 0.00 57.03 57.69 2x7i h ASP 229 Cb 0.01 0.40 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 2x7i h ASP 229 CO -0.03 -0.32 0.43 0.40 -2.88 0.00 0.00 179.24 176.83 2x7i h ILE 230 N -0.33 1.05 -0.34 2.25 2.04 -0.87 0.52 117.51 121.82 2x7i h ILE 230 Ca 0.11 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2x7i h ILE 230 Cb 0.51 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2x7i h ILE 230 CO -0.36 0.15 0.10 -0.26 0.00 0.00 0.00 178.15 177.77 2x7i h PHE 231 N 0.82 0.18 -0.12 1.37 -1.00 -0.56 -0.62 116.94 117.00 2x7i h PHE 231 Ca 0.30 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.97 2x7i h PHE 231 Cb 0.09 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 2x7i h PHE 231 CO -0.05 0.06 -0.48 -0.91 -1.61 0.00 0.00 178.31 175.32 2x7i h ASN 232 N 0.23 0.33 -0.42 2.17 2.35 -0.50 -2.00 115.58 117.74 2x7i h ASN 232 Ca 0.16 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2x7i h ASN 232 Cb 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2x7i h ASN 232 CO -0.18 0.76 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.02 2x7i h GLU 233 N 0.25 0.74 -0.59 0.81 5.08 -0.73 -2.12 114.58 118.03 2x7i h GLU 233 Ca 0.01 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2x7i h GLU 233 Cb 0.93 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2x7i h GLU 233 CO 0.08 0.83 0.35 0.00 -1.00 0.00 0.00 179.01 179.26 2x7i h HIS 235 N 0.79 0.25 -0.65 0.00 -0.00 -1.34 -1.17 115.15 113.03 2x7i h HIS 235 Ca 0.21 -0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.58 2x7i h HIS 235 Cb -0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.29 2x7i h HIS 235 CO -0.02 0.43 0.39 0.00 -0.00 0.00 0.00 177.93 178.73 2x7i h ALA 236 N 0.80 0.86 -0.32 5.26 0.00 -1.34 -0.64 119.26 123.87 2x7i h ALA 236 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2x7i h ALA 236 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2x7i h ALA 236 CO 0.00 0.12 0.15 0.22 0.00 0.00 0.00 179.25 179.74 2x7i h ASP 237 N 0.75 0.20 -0.27 0.00 1.82 -0.97 0.22 116.42 118.17 2x7i h ASP 237 Ca 0.27 0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.96 2x7i h ASP 237 Cb 0.08 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.05 2x7i h ASP 237 CO -0.13 0.16 0.10 0.25 -1.61 0.00 0.00 179.24 178.00 2x7i h LEU 238 N 0.31 0.12 -0.63 2.28 5.85 -0.76 -2.39 115.31 120.09 2x7i h LEU 238 Ca 0.14 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 2x7i h LEU 238 Cb 0.07 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2x7i h LEU 238 CO -0.11 0.10 -0.31 0.11 -0.34 0.00 0.00 178.44 177.90 2x7i h LYS 239 N 0.23 0.74 -0.77 1.25 1.57 -0.82 -0.65 116.57 118.11 2x7i h LYS 239 Ca 0.12 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2x7i h LYS 239 Cb 0.08 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2x7i h LYS 239 CO -0.11 0.95 0.51 0.00 -0.57 0.00 0.00 179.45 180.23 2x7i h ALA 240 N 1.02 1.49 -0.01 3.86 0.00 -0.44 -3.27 119.26 121.91 2x7i h ALA 240 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2x7i h ALA 240 Cb 0.83 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2x7i h ALA 240 CO 0.07 0.45 -0.30 1.28 0.00 0.00 0.00 179.25 180.75 2x7i n LEU 241 N -4.43 1.76 -4.06 0.00 4.77 -0.91 -5.00 117.00 109.12 2x7i n LEU 241 Ca 0.09 -0.80 -0.07 0.00 -0.03 0.00 0.00 56.01 55.20 2x7i n LEU 241 Cb 0.07 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2x7i n LEU 241 CO 0.36 0.33 -0.34 0.42 -1.33 0.00 0.00 177.39 176.83 2x7i s THR 242 N -1.88 0.20 -0.14 -5.08 -4.23 -0.29 -4.58 115.64 99.64 2x7i s THR 242 Ca 0.15 -1.69 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 2x7i s THR 242 Cb 0.14 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 2x7i s THR 242 CO 0.39 -0.93 1.57 -0.69 -0.54 0.00 0.00 174.62 174.42 2x7i s VAL 243 N -3.71 3.75 0.57 2.29 1.01 -1.26 -4.68 120.40 118.37 2x7i s VAL 243 Ca 0.05 0.88 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2x7i s VAL 243 Cb 0.06 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.84 2x7i s VAL 243 CO -0.09 -0.17 0.79 -0.44 0.00 0.00 0.00 175.10 175.19 2x7i s SER 244 N 3.49 5.14 -0.10 3.32 0.01 -1.26 -5.09 113.70 119.20 2x7i s SER 244 Ca 0.69 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.76 2x7i s SER 244 Cb -0.28 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.39 2x7i s SER 244 CO 0.27 -1.24 -0.14 -1.00 0.41 0.00 0.00 173.24 171.53 2x7i s HIS 245 N -2.77 1.82 0.19 2.43 3.76 -1.26 -5.05 115.29 114.41 2x7i s HIS 245 Ca 0.59 -0.81 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 2x7i s HIS 245 Cb -0.09 -1.32 0.17 0.00 1.11 0.00 0.00 32.58 32.44 2x7i s HIS 245 CO 0.39 -0.42 1.82 -0.44 -0.85 0.00 0.00 174.74 175.24 2x7i h ASP 246 N 7.33 0.57 -0.07 1.40 3.45 -1.99 -2.38 116.42 124.73 2x7i h ASP 246 Ca -0.30 0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.07 2x7i h ASP 246 Cb 1.18 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 2x7i h ASP 246 CO 0.48 0.39 -0.24 0.11 -1.57 0.00 0.00 179.24 178.41 2x7i h LYS 247 N 0.70 0.49 -0.07 3.56 1.57 -1.99 -0.98 116.57 119.85 2x7i h LYS 247 Ca 0.25 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2x7i h LYS 247 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2x7i h LYS 247 CO -0.13 0.70 -0.25 0.82 -0.57 0.00 0.00 179.45 180.03 2x7i h ILE 248 N 0.44 1.42 -0.57 1.86 5.03 -1.95 -2.88 117.51 120.85 2x7i h ILE 248 Ca 0.07 -1.63 -0.06 0.00 -0.12 0.00 0.00 64.86 63.12 2x7i h ILE 248 Cb 0.66 2.28 -0.03 0.00 -3.03 0.00 0.00 36.82 36.70 2x7i h ILE 248 CO 0.05 0.46 0.13 -0.33 -0.68 0.00 0.00 178.15 177.78 2x7i h GLU 249 N -0.20 0.89 -0.12 2.37 4.39 -1.29 -1.77 114.58 118.86 2x7i h GLU 249 Ca -0.01 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 2x7i h GLU 249 Cb 0.88 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2x7i h GLU 249 CO 0.05 0.80 -0.20 0.37 -1.16 0.00 0.00 179.01 178.88 2x7i h GLN 250 N 0.85 0.19 -0.31 2.33 5.75 -1.25 0.48 115.11 123.16 2x7i h GLN 250 Ca 0.18 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.47 2x7i h GLN 250 Cb 0.32 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 2x7i h GLN 250 CO 0.00 0.39 -0.43 1.25 -2.65 0.00 0.00 178.83 177.39 2x7i h LEU 251 N 0.18 0.91 -0.57 -2.39 5.85 -1.12 -1.77 115.31 116.40 2x7i h LEU 251 Ca 0.03 -0.50 -0.11 0.00 0.84 0.00 0.00 57.88 58.13 2x7i h LEU 251 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2x7i h LEU 251 CO 0.03 1.24 -0.10 -0.03 -0.34 0.00 0.00 178.44 179.24 2x7i h MET 252 N 0.61 1.03 -0.76 1.25 4.05 -1.05 -1.91 114.93 118.16 2x7i h MET 252 Ca 0.03 -0.38 0.09 0.00 -0.28 0.00 0.00 59.70 59.16 2x7i h MET 252 Cb 1.03 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.70 2x7i h MET 252 CO 0.10 1.07 0.41 -0.22 0.23 0.00 0.00 176.91 178.50 2x7i h LYS 253 N 0.92 0.68 -0.52 0.39 3.64 -0.84 -0.57 116.57 120.28 2x7i h LYS 253 Ca 0.14 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2x7i h LYS 253 Cb 0.67 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2x7i h LYS 253 CO 0.05 0.45 -0.07 0.82 -2.27 0.00 0.00 179.45 178.42 2x7i h ILE 254 N 0.70 1.26 -0.75 2.00 2.04 -1.12 -0.70 117.51 120.94 2x7i h ILE 254 Ca 0.36 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 2x7i h ILE 254 Cb 0.33 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2x7i h ILE 254 CO -0.24 0.42 0.35 1.23 0.00 0.00 0.00 178.15 179.91 2x7i h GLY 255 N 0.97 1.17 0.65 5.37 0.00 -0.65 -2.75 103.07 107.83 2x7i h GLY 255 Ca 0.14 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 2x7i h GLY 255 CO 0.04 0.56 -0.28 0.50 0.00 0.00 0.00 176.54 177.35 2x7i h LYS 256 N 1.06 0.30 -0.95 4.80 1.57 -1.01 -1.54 116.57 120.80 2x7i h LYS 256 Ca 0.26 -0.24 0.28 0.00 -1.87 0.00 0.00 60.65 59.07 2x7i h LYS 256 Cb 0.13 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2x7i h LYS 256 CO -0.03 0.88 0.79 0.93 -0.57 0.00 0.00 179.45 181.45 2x7i h GLU 257 N -0.21 0.00 -0.50 3.15 5.08 -1.14 0.33 114.58 121.29 2x7i h GLU 257 Ca -0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2x7i h GLU 257 Cb 0.93 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 2x7i h GLU 257 CO 0.06 0.00 0.08 0.09 -1.00 0.00 0.00 179.01 178.24 2x7i n ASN 258 N -3.91 4.50 0.00 1.42 3.02 -1.04 -4.95 115.26 114.30 2x7i n ASN 258 Ca 0.20 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 2x7i n ASN 258 Cb 1.11 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2x7i n ASN 258 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x7i n GLY 259 N -0.19 0.69 3.68 7.41 0.00 0.10 -4.26 105.19 112.62 2x7i n GLY 259 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2x7i n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x7i s ALA 260 N -2.00 3.61 -1.17 4.61 0.00 -0.60 -4.72 121.76 121.48 2x7i s ALA 260 Ca 0.00 0.92 0.26 0.00 0.00 0.00 0.00 51.96 53.15 2x7i s ALA 260 Cb 0.00 -3.63 0.74 0.00 0.00 0.00 0.00 23.12 20.23 2x7i s ALA 260 CO 0.00 -1.01 1.57 0.44 0.00 0.00 0.00 175.76 176.76 2x7i n ILE 261 N 4.79 0.00 -3.44 0.00 -5.35 0.28 -4.37 119.36 111.27 2x7i n ILE 261 Ca 0.14 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.48 2x7i n ILE 261 Cb 0.43 0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 38.41 2x7i n ILE 261 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2x7i s ALA 262 N -2.88 -1.64 -0.16 -1.28 0.00 -1.24 -4.93 121.76 109.64 2x7i s ALA 262 Ca 0.15 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 2x7i s ALA 262 Cb 0.18 0.78 0.06 0.00 0.00 0.00 0.00 23.12 24.14 2x7i s ALA 262 CO 0.62 -0.74 0.64 0.20 0.00 0.00 0.00 175.76 176.48 2x7i s GLY 263 N -2.62 -0.50 0.22 0.00 0.00 -1.26 -1.74 107.32 101.42 2x7i s GLY 263 Ca 0.01 1.53 -0.22 0.00 0.00 0.00 0.00 44.72 46.04 2x7i s GLY 263 CO -0.11 1.24 0.65 -1.59 0.00 0.00 0.00 173.10 173.30 2x7i s LYS 264 N -0.34 1.54 0.17 2.90 -2.85 -0.82 -4.29 119.74 116.04 2x7i s LYS 264 Ca -0.05 -0.75 -0.04 0.00 -1.00 0.00 0.00 55.97 54.13 2x7i s LYS 264 Cb -0.03 0.60 -0.05 0.00 -2.06 0.00 0.00 37.83 36.28 2x7i s LYS 264 CO 0.04 -0.69 0.40 -0.51 0.10 0.00 0.00 175.35 174.69 2x7i s LEU 265 N -2.84 4.24 0.71 2.77 1.43 -1.26 -1.04 118.68 122.68 2x7i s LEU 265 Ca 0.06 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 2x7i s LEU 265 Cb -0.03 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 42.89 2x7i s LEU 265 CO -0.03 0.01 1.09 0.42 0.23 0.00 0.00 176.35 178.07 2x7i s THR 266 N -1.73 3.30 -0.81 5.49 -4.23 -0.74 -4.37 115.64 112.54 2x7i s THR 266 Ca 0.41 0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 61.26 2x7i s THR 266 Cb -0.12 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.32 2x7i s THR 266 CO 0.26 -0.52 0.34 0.61 -0.54 0.00 0.00 174.62 174.76 2x7i n GLY 267 N -3.00 0.06 3.76 3.99 0.00 -1.13 -1.41 105.19 107.46 2x7i n GLY 267 Ca 0.07 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2x7i n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x7i n ALA 268 N -2.78 -1.33 -0.17 4.61 0.00 -1.00 -2.03 120.51 117.81 2x7i n ALA 268 Ca -0.06 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2x7i n ALA 268 Cb 0.56 -4.89 0.00 0.00 0.00 0.00 0.00 19.45 15.12 2x7i n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x7i n GLY 269 N -1.83 0.59 0.25 0.00 0.00 -1.16 -4.96 105.19 98.08 2x7i n GLY 269 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2x7i n GLY 269 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2x7i h ARG 270 N 4.51 0.84 -0.35 1.61 2.43 -1.14 -3.42 114.38 118.85 2x7i h ARG 270 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2x7i h ARG 270 Cb 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2x7i h ARG 270 CO 0.00 0.71 0.00 0.41 -1.51 0.00 0.00 179.97 179.58 2x7i n GLY 271 N -0.85 0.69 0.22 2.80 0.00 -0.50 -1.46 105.19 106.10 2x7i n GLY 271 Ca 0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 2x7i n GLY 271 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2x7i h GLY 272 N 0.00 0.75 -3.16 -0.02 0.00 -1.76 -3.42 103.07 95.46 2x7i h GLY 272 Ca 0.00 -0.07 -0.50 0.00 0.00 0.00 0.00 47.33 46.76 2x7i h GLY 272 CO 0.00 -0.06 -0.77 -0.56 0.00 0.00 0.00 176.54 175.15 2x7i s SER 273 N -5.34 2.61 -0.17 0.19 0.01 -1.24 -4.64 113.70 105.12 2x7i s SER 273 Ca -0.13 -0.89 -0.07 0.00 1.31 0.00 0.00 55.95 56.16 2x7i s SER 273 Cb 0.17 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2x7i s SER 273 CO 0.74 -0.07 0.09 -0.32 0.41 0.00 0.00 173.24 174.08 2x7i s MET 274 N -2.96 3.85 -0.20 12.44 1.75 0.78 -1.80 119.30 133.16 2x7i s MET 274 Ca 0.17 -0.28 -0.03 0.00 -1.25 0.00 0.00 55.69 54.29 2x7i s MET 274 Cb -0.05 -3.22 -0.01 0.00 2.84 0.00 0.00 34.83 34.39 2x7i s MET 274 CO 0.06 0.40 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.26 2x7i s LEU 275 N 0.02 2.79 -0.05 4.11 1.43 -0.21 0.12 118.68 126.89 2x7i s LEU 275 Ca 0.07 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2x7i s LEU 275 Cb -0.12 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2x7i s LEU 275 CO 0.00 0.01 -0.23 -0.76 0.23 0.00 0.00 176.35 175.60 2x7i s LEU 276 N 1.29 2.17 -0.19 1.79 1.43 0.28 -1.94 118.68 123.51 2x7i s LEU 276 Ca 0.03 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 2x7i s LEU 276 Cb -0.14 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2x7i s LEU 276 CO -0.03 0.27 0.11 -0.76 0.23 0.00 0.00 176.35 176.17 2x7i s LEU 277 N -0.31 4.11 0.08 1.79 1.43 -0.71 0.50 118.68 125.57 2x7i s LEU 277 Ca 0.01 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2x7i s LEU 277 Cb -0.13 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2x7i s LEU 277 CO 0.02 0.19 -0.16 0.00 0.23 0.00 0.00 176.35 176.63 2x7i s ALA 278 N 0.31 1.39 0.15 4.21 0.00 0.33 -0.55 121.76 127.60 2x7i s ALA 278 Ca 0.07 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2x7i s ALA 278 Cb -0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2x7i s ALA 278 CO -0.01 0.24 1.36 0.87 0.00 0.00 0.00 175.76 178.21 2x7i h LYS 279 N 4.28 0.23 -4.23 0.00 1.57 -1.84 0.58 116.57 117.16 2x7i h LYS 279 Ca -0.42 -0.26 -0.17 0.00 -1.87 0.00 0.00 60.65 57.93 2x7i h LYS 279 Cb 1.19 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 33.44 2x7i h LYS 279 CO 0.40 0.99 -0.44 0.16 -0.57 0.00 0.00 179.45 179.99 2x7i s ASP 280 N -6.96 0.07 0.09 0.86 1.47 -1.26 -4.47 116.67 106.47 2x7i s ASP 280 Ca -0.03 -1.20 -0.17 0.00 1.18 0.00 0.00 52.55 52.33 2x7i s ASP 280 Cb 0.10 0.45 -0.08 0.00 -0.34 0.00 0.00 42.92 43.04 2x7i s ASP 280 CO 0.84 -0.94 1.46 0.25 0.68 0.00 0.00 175.17 177.46 2x7i h LEU 281 N 2.51 0.57 -0.99 2.11 5.85 -1.98 -2.47 115.31 120.91 2x7i h LEU 281 Ca -0.32 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 58.11 2x7i h LEU 281 Cb 1.25 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 2x7i h LEU 281 CO 0.47 0.84 0.62 -0.65 -0.34 0.00 0.00 178.44 179.39 2x7i h PRO 282 N 0.30 0.97 -0.26 5.25 0.11 -1.99 0.22 132.00 136.60 2x7i h PRO 282 Ca 0.06 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2x7i h PRO 282 Cb 0.61 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2x7i h PRO 282 CO 0.04 0.65 -0.42 1.15 -0.21 0.00 0.00 178.00 179.20 2x7i h THR 283 N 1.00 1.30 -0.53 -1.15 2.02 -1.90 -1.46 112.91 112.19 2x7i h THR 283 Ca 0.49 -1.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.00 2x7i h THR 283 Cb 0.45 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 2x7i h THR 283 CO -0.26 0.51 0.06 0.00 0.37 0.00 0.00 175.52 176.21 2x7i h ALA 284 N 1.01 1.12 -0.18 6.16 0.00 -0.88 -0.42 119.26 126.07 2x7i h ALA 284 Ca 0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2x7i h ALA 284 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2x7i h ALA 284 CO 0.09 0.57 -0.36 0.87 0.00 0.00 0.00 179.25 180.42 2x7i h LYS 285 N 0.80 0.40 -0.42 0.00 1.57 -0.71 -1.82 116.57 116.38 2x7i h LYS 285 Ca 0.16 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 2x7i h LYS 285 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2x7i h LYS 285 CO 0.01 0.71 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.38 2x7i h ASN 286 N 0.34 1.00 -0.40 0.86 2.35 -0.89 -2.49 115.58 116.35 2x7i h ASN 286 Ca 0.04 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2x7i h ASN 286 Cb 0.79 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2x7i h ASN 286 CO 0.06 1.22 0.22 0.40 -1.65 0.00 0.00 177.43 177.69 2x7i h ILE 287 N 0.79 1.15 0.13 2.81 2.04 -0.97 -2.14 117.51 121.33 2x7i h ILE 287 Ca 0.08 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2x7i h ILE 287 Cb 0.89 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2x7i h ILE 287 CO 0.08 0.16 -0.23 0.58 0.00 0.00 0.00 178.15 178.74 2x7i h VAL 288 N 0.52 0.49 -0.42 1.67 2.07 -1.26 -0.61 116.25 118.71 2x7i h VAL 288 Ca 0.14 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2x7i h VAL 288 Cb 0.05 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2x7i h VAL 288 CO -0.02 0.00 0.25 0.11 0.02 0.00 0.00 177.57 177.93 2x7i h LYS 289 N -0.43 0.57 -0.58 1.57 1.79 -1.39 -0.30 116.57 117.80 2x7i h LYS 289 Ca 0.02 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2x7i h LYS 289 Cb 0.45 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2x7i h LYS 289 CO -0.12 0.42 0.22 0.00 -1.08 0.00 0.00 179.45 178.90 2x7i h ALA 290 N 1.11 1.30 0.09 3.86 0.00 -1.18 -0.39 119.26 124.05 2x7i h ALA 290 Ca 0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2x7i h ALA 290 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2x7i h ALA 290 CO -0.03 0.52 -1.14 -0.24 0.00 0.00 0.00 179.25 178.36 2x7i h VAL 291 N 0.83 1.51 -0.13 0.00 3.04 -0.75 -2.18 116.25 118.58 2x7i h VAL 291 Ca 0.20 -2.97 -0.03 0.00 -1.01 0.00 0.00 66.70 62.89 2x7i h VAL 291 Cb 0.18 2.82 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2x7i h VAL 291 CO -0.02 0.87 -0.02 -0.33 -1.01 0.00 0.00 177.57 177.06 2x7i h GLU 292 N 0.09 0.24 -0.92 4.17 4.39 -0.96 0.14 114.58 121.73 2x7i h GLU 292 Ca -0.11 -0.09 0.16 0.00 0.34 0.00 0.00 59.36 59.67 2x7i h GLU 292 Cb 1.85 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 30.41 2x7i h GLU 292 CO 0.18 0.52 0.59 -0.22 -1.16 0.00 0.00 179.01 178.93 2x7i h LYS 293 N -0.06 0.65 -0.27 2.33 3.64 -1.10 0.54 116.57 122.29 2x7i h LYS 293 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2x7i h LYS 293 Cb 0.43 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2x7i h LYS 293 CO 0.01 0.43 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 2x7i n ALA 294 N -2.43 2.46 0.00 5.00 0.00 -0.82 -4.91 120.51 119.81 2x7i n ALA 294 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2x7i n ALA 294 Cb 0.53 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2x7i n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x7i n GLY 295 N 0.94 0.94 3.66 0.00 0.00 0.18 -5.02 105.19 105.89 2x7i n GLY 295 Ca 0.09 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.54 2x7i n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x7i n ALA 296 N -1.10 -0.90 -0.09 4.61 0.00 0.45 -4.84 120.51 118.65 2x7i n ALA 296 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 2x7i n ALA 296 Cb 0.00 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 2x7i n ALA 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x7i h ALA 297 N 5.77 0.38 -2.78 0.00 0.00 -1.63 -3.40 119.26 117.59 2x7i h ALA 297 Ca -0.47 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 53.95 2x7i h ALA 297 Cb 1.34 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 2x7i h ALA 297 CO 0.88 0.30 -0.41 -1.01 0.00 0.00 0.00 179.25 179.01 2x7i s HIS 298 N -4.49 -0.10 0.05 0.00 0.09 -1.09 -5.03 115.29 104.73 2x7i s HIS 298 Ca -0.13 0.18 -0.00 0.00 -0.00 0.00 0.00 55.06 55.10 2x7i s HIS 298 Cb 0.08 0.03 -0.04 0.00 -0.00 0.00 0.00 32.58 32.65 2x7i s HIS 298 CO 0.80 -0.28 -0.04 0.95 -0.00 0.00 0.00 174.74 176.17 2x7i s THR 299 N -0.99 0.30 0.01 1.30 -4.23 -1.26 -0.96 115.64 109.80 2x7i s THR 299 Ca -0.11 -1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2x7i s THR 299 Cb -0.05 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 2x7i s THR 299 CO 0.02 -0.85 0.03 0.26 -0.54 0.00 0.00 174.62 173.54 2x7i s TRP 300 N -3.28 0.18 -0.22 3.99 0.51 -0.29 -4.99 118.94 114.84 2x7i s TRP 300 Ca 0.03 -0.39 -0.05 0.00 -2.12 0.00 0.00 56.10 53.57 2x7i s TRP 300 Cb 0.03 -0.14 -0.02 0.00 -0.81 0.00 0.00 33.47 32.54 2x7i s TRP 300 CO -0.07 -0.22 -0.01 0.42 -0.51 0.00 0.00 176.95 176.56 2x7i s ILE 301 N -1.42 3.69 -0.26 2.03 1.01 -1.26 -0.89 121.20 124.09 2x7i s ILE 301 Ca -0.15 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 2x7i s ILE 301 Cb -0.09 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2x7i s ILE 301 CO -0.00 0.40 0.07 -0.70 0.00 0.00 0.00 174.94 174.71 2x7i s GLU 302 N 1.43 3.50 0.08 2.79 2.56 -0.08 -4.78 118.70 124.20 2x7i s GLU 302 Ca 0.05 -0.58 -0.30 0.00 0.00 0.00 0.00 54.97 54.13 2x7i s GLU 302 Cb -0.14 -3.33 -0.06 0.00 2.00 0.00 0.00 34.13 32.59 2x7i s GLU 302 CO -0.01 -0.26 1.18 1.21 -0.56 0.00 0.00 175.26 176.82 2x7i s ASN 303 N 1.58 7.11 -0.02 -1.70 3.84 -1.26 -1.25 114.94 123.24 2x7i s ASN 303 Ca 0.05 2.02 0.12 0.00 0.21 0.00 0.00 52.86 55.26 2x7i s ASN 303 Cb -0.16 -2.58 0.38 0.00 -0.55 0.00 0.00 41.25 38.34 2x7i s ASN 303 CO 0.03 -0.43 1.29 0.18 -2.79 0.00 0.00 177.10 175.38 2x7i n LEU 304 N 3.71 2.43 0.00 3.21 4.77 -0.58 -4.92 117.00 125.63 2x7i n LEU 304 Ca 0.08 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2x7i n LEU 304 Cb 0.46 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2x7i n LEU 304 CO 0.55 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2x7i n GLY 305 N 1.04 0.77 0.08 -0.72 0.00 -1.23 -0.94 105.19 104.19 2x7i n GLY 305 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.32 2x7i n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93