#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4r n GLY 5 N 0.00 -2.49 3.07 0.55 0.00 -1.26 -4.20 105.19 100.87 2q4r n GLY 5 Ca 0.00 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 2q4r n GLY 5 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2q4r n PRO 6 N -4.00 0.00 0.00 1.61 -0.02 -1.26 -4.61 135.00 126.72 2q4r n PRO 6 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2q4r n PRO 6 Cb 0.56 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 2q4r n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q4r n ALA 7 N 5.53 0.00 -3.15 3.55 0.00 -1.26 0.12 120.51 125.30 2q4r n ALA 7 Ca 0.59 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.09 2q4r n ALA 7 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 2q4r n ALA 7 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2q4r s LEU 8 N 0.00 -0.51 -0.07 0.00 2.96 -1.03 -4.66 118.68 115.37 2q4r s LEU 8 Ca 0.00 0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.85 2q4r s LEU 8 Cb 0.00 1.40 -0.03 0.00 0.50 0.00 0.00 46.19 48.06 2q4r s LEU 8 CO 0.00 -0.10 1.18 0.00 -1.32 0.00 0.00 176.35 176.11 2q4r s LEU 10 N 2.27 2.14 0.16 0.00 0.20 0.03 0.14 118.68 123.61 2q4r s LEU 10 Ca 0.55 -0.68 0.07 0.00 0.69 0.00 0.00 54.13 54.76 2q4r s LEU 10 Cb -0.24 -1.42 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 2q4r s LEU 10 CO 0.21 -0.03 -0.03 -0.36 -0.29 0.00 0.00 176.35 175.85 2q4r s PHE 11 N 1.32 2.81 0.00 5.38 0.08 0.64 -2.23 117.98 125.97 2q4r s PHE 11 Ca 0.04 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2q4r s PHE 11 Cb -0.14 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 2q4r s PHE 11 CO -0.12 0.50 0.00 -3.47 -0.10 0.00 0.00 175.22 172.04 2q4r n ASP 12 N 0.06 0.00 0.00 1.36 4.64 -1.15 0.72 116.55 122.18 2q4r n ASP 12 Ca -0.10 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.31 2q4r n ASP 12 Cb 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.63 2q4r n ASP 12 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 2q4r n VAL 13 N -0.01 0.00 -1.71 5.18 0.31 -1.23 -4.44 118.33 116.43 2q4r n VAL 13 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2q4r n VAL 13 Cb 0.00 -0.29 -0.02 0.00 -0.91 0.00 0.00 33.84 32.62 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2q4r n ASP 14 N -0.75 3.30 0.00 4.52 2.03 -1.26 -1.24 116.55 123.15 2q4r n ASP 14 Ca 0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2q4r n ASP 14 Cb 0.00 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 2q4r n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q4r n GLY 15 N 2.27 1.56 0.18 0.27 0.00 -0.65 -4.78 105.19 104.03 2q4r n GLY 15 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2q4r n GLY 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2q4r h THR 16 N 0.00 0.00 0.00 2.61 2.02 -1.51 -3.32 112.91 112.72 2q4r h THR 16 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2q4r h THR 16 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2q4r h THR 16 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 2q4r n LEU 17 N -4.70 1.04 -4.21 2.58 4.77 -1.18 -3.87 117.00 111.42 2q4r n LEU 17 Ca -0.05 -1.04 -0.15 0.00 -0.03 0.00 0.00 56.01 54.75 2q4r n LEU 17 Cb 0.15 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2q4r n LEU 17 CO 0.11 0.26 -0.14 0.42 -1.33 0.00 0.00 177.39 176.71 2q4r s THR 18 N -0.14 0.00 0.28 -5.08 -4.23 -1.26 -4.63 115.64 100.58 2q4r s THR 18 Ca 0.00 -1.94 -0.22 0.00 -1.18 0.00 0.00 61.69 58.35 2q4r s THR 18 Cb 0.00 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.25 2q4r s THR 18 CO 0.00 0.00 0.84 0.00 -0.54 0.00 0.00 174.62 174.92 2q4r s ALA 19 N -3.81 3.30 0.69 3.99 0.00 -1.26 -1.63 121.76 123.04 2q4r s ALA 19 Ca 0.38 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 2q4r s ALA 19 Cb 0.04 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 2q4r s ALA 19 CO 0.18 0.25 0.22 -2.30 0.00 0.00 0.00 175.76 174.12 2q4r n PRO 20 N 0.53 0.21 -4.21 0.00 -0.02 -1.26 -2.29 135.00 127.97 2q4r n PRO 20 Ca 0.00 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 2q4r n PRO 20 Cb 0.51 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 2q4r n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2q4r n ARG 21 N 0.20 -0.81 -3.69 -0.52 1.74 -1.26 -4.89 116.66 107.43 2q4r n ARG 21 Ca 0.08 0.11 -0.15 0.00 -0.77 0.00 0.00 57.85 57.13 2q4r n ARG 21 Cb 0.50 -3.90 -0.08 0.00 -1.02 0.00 0.00 32.46 27.96 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2q4r s GLN 22 N -6.73 0.78 0.64 5.56 -0.21 -0.97 -5.14 119.66 113.60 2q4r s GLN 22 Ca 0.50 -0.07 -0.15 0.00 0.02 0.00 0.00 55.36 55.66 2q4r s GLN 22 Cb -0.29 0.36 -0.01 0.00 1.00 0.00 0.00 33.01 34.06 2q4r s GLN 22 CO 0.92 -0.23 1.11 0.21 -2.12 0.00 0.00 175.29 175.18 2q4r s LYS 23 N -1.32 2.87 0.69 2.91 2.20 -1.26 -4.53 119.74 121.31 2q4r s LYS 23 Ca -0.13 1.41 -0.16 0.00 -0.36 0.00 0.00 55.97 56.74 2q4r s LYS 23 Cb -0.04 -1.96 0.02 0.00 -1.51 0.00 0.00 37.83 34.34 2q4r s LYS 23 CO 0.06 -1.20 1.22 -1.50 -0.36 0.00 0.00 175.35 173.57 2q4r s ILE 24 N -2.27 2.31 0.25 5.43 2.07 1.79 -4.68 121.20 126.10 2q4r s ILE 24 Ca 0.68 0.17 -0.09 0.00 -1.41 0.00 0.00 60.65 59.99 2q4r s ILE 24 Cb -0.21 -2.84 -0.07 0.00 0.13 0.00 0.00 42.46 39.47 2q4r s ILE 24 CO 0.40 -0.07 0.57 -0.89 -1.91 0.00 0.00 174.94 173.04 2q4r s THR 25 N -1.82 4.92 0.23 4.00 2.01 -1.26 -4.96 115.64 118.76 2q4r s THR 25 Ca 0.76 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 63.15 2q4r s THR 25 Cb -0.31 -3.64 0.19 0.00 0.01 0.00 0.00 72.50 68.76 2q4r s THR 25 CO 0.42 -0.14 1.83 0.50 -0.69 0.00 0.00 174.62 176.54 2q4r h LYS 26 N 2.32 0.82 0.00 4.92 3.11 -2.00 0.75 116.57 126.50 2q4r h LYS 26 Ca -0.47 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2q4r h LYS 26 Cb 1.17 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 2q4r h LYS 26 CO 0.68 0.54 0.00 -1.91 -2.81 0.00 0.00 179.45 175.96 2q4r n GLU 27 N -4.70 0.00 0.00 1.90 2.13 -1.26 -0.17 120.64 118.55 2q4r n GLU 27 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2q4r n GLU 27 Cb 0.20 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 30.96 2q4r n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2q4r n ASP 29 N -0.08 0.00 -0.15 4.31 2.03 0.25 -1.71 116.55 121.20 2q4r n ASP 29 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 2q4r n ASP 29 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2q4r n ASP 29 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2q4r h ASP 30 N 0.00 0.29 -0.15 1.67 3.32 -0.80 -1.07 116.42 119.68 2q4r h ASP 30 Ca 0.00 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2q4r h ASP 30 Cb 0.00 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2q4r h ASP 30 CO 0.00 0.20 -0.07 0.15 -1.72 0.00 0.00 179.24 177.80 2q4r h PHE 31 N 0.43 -0.17 0.24 4.55 3.57 -1.55 -2.04 116.94 121.97 2q4r h PHE 31 Ca 0.22 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2q4r h PHE 31 Cb 0.16 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2q4r h PHE 31 CO -0.12 -0.12 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.59 2q4r h LEU 32 N -0.06 -0.50 -1.80 0.59 3.38 -1.69 0.12 115.31 115.35 2q4r h LEU 32 Ca 0.08 0.03 0.44 0.00 0.09 0.00 0.00 57.88 58.53 2q4r h LEU 32 Cb 0.18 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2q4r h LEU 32 CO -0.18 -0.27 1.04 1.56 0.09 0.00 0.00 178.44 180.68 2q4r h GLN 33 N -0.41 0.05 0.41 1.13 1.08 -1.20 0.65 115.11 116.82 2q4r h GLN 33 Ca -0.03 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2q4r h GLN 33 Cb 0.34 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2q4r h GLN 33 CO 0.01 0.03 -0.20 -0.22 -0.95 0.00 0.00 178.83 177.50 2q4r h LYS 34 N 0.05 -0.53 -0.97 1.46 3.64 -0.60 -3.25 116.57 116.36 2q4r h LYS 34 Ca 0.76 0.04 0.20 0.00 -1.27 0.00 0.00 60.65 60.38 2q4r h LYS 34 Cb 2.81 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 34.64 2q4r h LYS 34 CO -0.13 -0.26 0.56 1.25 -2.27 0.00 0.00 179.45 178.61 2q4r h LEU 35 N -1.04 0.68 -1.90 5.20 5.85 0.28 -0.51 115.31 123.87 2q4r h LEU 35 Ca -0.06 0.11 0.23 0.00 0.84 0.00 0.00 57.88 59.01 2q4r h LEU 35 Cb 0.53 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2q4r h LEU 35 CO 0.09 0.20 0.60 -0.09 -0.34 0.00 0.00 178.44 178.90 2q4r h ARG 36 N 0.67 0.08 -1.14 1.25 2.43 -0.83 -0.45 114.38 116.39 2q4r h ARG 36 Ca 0.58 -0.00 0.32 0.00 -0.81 0.00 0.00 59.98 60.06 2q4r h ARG 36 Cb 0.96 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.41 2q4r h ARG 36 CO -0.42 0.05 0.77 1.96 -1.51 0.00 0.00 179.97 180.83 2q4r h GLN 37 N 0.08 0.19 0.10 0.20 1.08 -1.16 -0.09 115.11 115.52 2q4r h GLN 37 Ca 0.41 -0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 57.29 2q4r h GLN 37 Cb 1.51 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.88 2q4r h GLN 37 CO -0.04 0.13 -1.65 0.87 -0.95 0.00 0.00 178.83 177.19 2q4r h LYS 38 N 0.20 0.20 -3.32 1.46 1.79 -1.27 -3.49 116.57 112.14 2q4r h LYS 38 Ca 0.61 -0.34 -0.04 0.00 -2.18 0.00 0.00 60.65 58.69 2q4r h LYS 38 Cb 1.95 0.13 -0.12 0.00 -1.58 0.00 0.00 32.23 32.60 2q4r h LYS 38 CO -0.19 1.02 -0.02 -1.50 -1.08 0.00 0.00 179.45 177.68 2q4r s ILE 39 N -2.60 0.05 0.99 1.86 2.07 -0.05 -5.06 121.20 118.46 2q4r s ILE 39 Ca -0.11 -0.52 -0.12 0.00 -1.41 0.00 0.00 60.65 58.49 2q4r s ILE 39 Cb 0.07 -1.21 0.18 0.00 0.13 0.00 0.00 42.46 41.64 2q4r s ILE 39 CO 0.83 -0.24 1.08 -0.54 -1.91 0.00 0.00 174.94 174.16 2q4r s LYS 40 N -3.81 0.48 0.07 3.50 -0.14 -1.26 -4.15 119.74 114.43 2q4r s LYS 40 Ca 0.04 0.84 -0.05 0.00 -1.36 0.00 0.00 55.97 55.43 2q4r s LYS 40 Cb 0.01 -1.72 -0.02 0.00 -1.68 0.00 0.00 37.83 34.43 2q4r s LYS 40 CO -0.11 -2.78 0.10 0.96 -0.76 0.00 0.00 175.35 172.76 2q4r s ILE 41 N -2.79 0.17 0.19 2.17 -4.36 -1.26 -2.69 121.20 112.64 2q4r s ILE 41 Ca 0.65 -1.42 -0.19 0.00 -0.26 0.00 0.00 60.65 59.43 2q4r s ILE 41 Cb -0.20 -1.39 0.04 0.00 1.25 0.00 0.00 42.46 42.16 2q4r s ILE 41 CO 0.59 -0.79 0.56 -0.83 0.24 0.00 0.00 174.94 174.71 2q4r s GLY 42 N -2.84 -0.25 0.04 6.27 0.00 0.37 0.50 107.32 111.40 2q4r s GLY 42 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.77 2q4r s GLY 42 CO -0.10 -0.13 -0.10 -1.34 0.00 0.00 0.00 173.10 171.43 2q4r s VAL 43 N -3.84 0.72 0.04 1.40 -7.23 -0.37 -0.26 120.40 110.85 2q4r s VAL 43 Ca 0.07 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2q4r s VAL 43 Cb -0.01 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 2q4r s VAL 43 CO -0.05 -0.17 -0.07 0.54 -0.31 0.00 0.00 175.10 175.04 2q4r s VAL 44 N -1.00 0.47 -0.01 1.32 0.11 0.22 0.24 120.40 121.75 2q4r s VAL 44 Ca -0.04 -1.10 -0.29 0.00 -2.93 0.00 0.00 61.98 57.62 2q4r s VAL 44 Cb -0.08 -0.61 0.10 0.00 -1.53 0.00 0.00 36.38 34.27 2q4r s VAL 44 CO 0.01 -0.43 0.89 -0.83 -3.33 0.00 0.00 175.10 171.40 2q4r s GLY 45 N -1.64 -0.46 0.05 6.54 0.00 0.19 -3.54 107.32 108.46 2q4r s GLY 45 Ca -0.10 1.07 0.28 0.00 0.00 0.00 0.00 44.72 45.97 2q4r s GLY 45 CO -0.00 0.38 1.88 0.61 0.00 0.00 0.00 173.10 175.97 2q4r n GLY 46 N -0.18 -1.55 3.25 0.20 0.00 -1.26 -0.26 105.19 105.40 2q4r n GLY 46 Ca -0.09 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2q4r n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q4r n SER 47 N -1.68 1.32 -4.90 1.61 7.64 -1.26 -3.93 113.62 112.42 2q4r n SER 47 Ca 0.07 -2.06 -0.28 0.00 1.01 0.00 0.00 58.87 57.61 2q4r n SER 47 Cb 0.36 -0.48 0.02 0.00 -1.01 0.00 0.00 64.21 63.10 2q4r n SER 47 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2q4r s ASP 48 N -4.28 5.90 0.24 6.43 1.47 -1.26 0.22 116.67 125.39 2q4r s ASP 48 Ca 0.54 0.93 -0.04 0.00 1.18 0.00 0.00 52.55 55.16 2q4r s ASP 48 Cb -0.03 -2.02 0.44 0.00 -0.34 0.00 0.00 42.92 40.96 2q4r s ASP 48 CO 0.35 -0.90 1.75 0.15 0.68 0.00 0.00 175.17 177.21 2q4r h PHE 49 N -0.11 0.62 -0.65 2.11 3.57 -1.98 0.34 116.94 120.84 2q4r h PHE 49 Ca -0.46 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 2q4r h PHE 49 Cb 1.23 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 2q4r h PHE 49 CO 0.54 0.15 0.16 0.93 -2.23 0.00 0.00 178.31 177.86 2q4r h GLU 50 N 0.55 1.03 0.00 1.11 5.08 -1.98 1.22 114.58 121.59 2q4r h GLU 50 Ca 0.41 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2q4r h GLU 50 Cb 0.55 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2q4r h GLU 50 CO -0.35 0.91 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.20 2q4r h LYS 51 N 0.98 0.00 0.17 2.33 1.63 -1.48 -0.48 116.57 119.72 2q4r h LYS 51 Ca 0.21 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.67 2q4r h LYS 51 Cb 0.35 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2q4r h LYS 51 CO 0.00 0.16 -1.70 0.28 -3.45 0.00 0.00 179.45 174.74 2q4r h VAL 52 N 0.00 0.99 -0.81 2.00 2.07 0.62 -3.13 116.25 117.99 2q4r h VAL 52 Ca -0.00 -2.59 0.05 0.00 0.82 0.00 0.00 66.70 64.98 2q4r h VAL 52 Cb 0.59 2.76 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 2q4r h VAL 52 CO 0.02 0.84 0.50 1.56 0.02 0.00 0.00 177.57 180.51 2q4r h GLN 53 N 0.10 0.91 -0.85 1.57 4.20 0.20 0.68 115.11 121.91 2q4r h GLN 53 Ca -0.32 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.36 2q4r h GLN 53 Cb 2.08 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 29.61 2q4r h GLN 53 CO 0.17 0.60 0.55 0.93 -0.67 0.00 0.00 178.83 180.42 2q4r h GLU 54 N 0.94 1.06 0.11 1.46 5.08 -1.18 1.20 114.58 123.25 2q4r h GLU 54 Ca 0.34 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.47 2q4r h GLU 54 Cb 0.12 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.15 2q4r h GLU 54 CO -0.15 0.70 -0.75 1.96 -1.00 0.00 0.00 179.01 179.77 2q4r h GLN 55 N 1.09 0.31 -0.02 2.33 4.20 -1.16 -3.37 115.11 118.49 2q4r h GLN 55 Ca 0.33 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2q4r h GLN 55 Cb -0.04 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2q4r h GLN 55 CO -0.10 1.21 -0.10 1.28 -0.67 0.00 0.00 178.83 180.45 2q4r n LEU 56 N -4.16 2.02 0.00 1.46 4.77 0.23 0.49 117.00 121.80 2q4r n LEU 56 Ca -0.13 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 2q4r n LEU 56 Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2q4r n LEU 56 CO 0.48 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2q4r n GLY 57 N 0.93 2.65 0.22 -0.72 0.00 0.41 -4.58 105.19 104.11 2q4r n GLY 57 Ca 0.08 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.26 2q4r n GLY 57 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2q4r h ASN 58 N 0.00 0.00 -0.48 1.61 2.35 -1.92 -3.05 115.58 114.09 2q4r h ASN 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2q4r h ASN 58 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2q4r h ASN 58 CO 0.00 0.07 0.00 -0.90 -1.65 0.00 0.00 177.43 174.95 2q4r n ASP 59 N -3.13 4.65 -0.33 5.81 5.75 -1.26 -4.66 116.55 123.38 2q4r n ASP 59 Ca 0.03 -2.66 0.24 0.00 -0.01 0.00 0.00 54.79 52.39 2q4r n ASP 59 Cb 0.51 -0.62 0.46 0.00 -1.03 0.00 0.00 41.12 40.44 2q4r n ASP 59 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2q4r h VAL 60 N 3.28 0.07 0.00 2.12 3.04 -1.78 0.41 116.25 123.39 2q4r h VAL 60 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2q4r h VAL 60 Cb 1.59 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2q4r h VAL 60 CO 0.35 0.01 0.00 -0.37 -1.01 0.00 0.00 177.57 176.55 2q4r h VAL 61 N 0.06 0.00 0.00 1.51 -1.51 -1.87 -1.67 116.25 112.77 2q4r h VAL 61 Ca 0.74 -0.06 -0.09 0.00 -1.23 0.00 0.00 66.70 66.06 2q4r h VAL 61 Cb 1.78 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 31.85 2q4r h VAL 61 CO -0.79 0.00 -1.26 -0.62 -1.23 0.00 0.00 177.57 173.68 2q4r n GLU 62 N -2.87 0.62 0.10 5.19 1.02 0.14 -4.03 120.64 120.81 2q4r n GLU 62 Ca -0.02 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 2q4r n GLU 62 Cb 0.09 -1.81 0.15 0.00 -0.02 0.00 0.00 31.44 29.85 2q4r n GLU 62 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2q4r h LYS 63 N 0.00 0.00 -5.36 3.49 1.79 -1.27 -3.47 116.57 111.75 2q4r h LYS 63 Ca -0.09 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.98 2q4r h LYS 63 Cb 1.32 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.79 2q4r h LYS 63 CO 0.02 0.00 -0.75 0.71 -1.08 0.00 0.00 179.45 178.35 2q4r s TYR 64 N -3.22 1.39 0.14 -1.35 2.02 -1.06 -4.85 117.35 110.42 2q4r s TYR 64 Ca 0.05 -0.59 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 2q4r s TYR 64 Cb 0.11 -0.72 -0.12 0.00 -0.40 0.00 0.00 41.96 40.83 2q4r s TYR 64 CO 0.72 0.15 1.32 -0.44 -1.57 0.00 0.00 175.55 175.72 2q4r h ASP 65 N 3.35 0.08 -4.65 2.29 3.32 -0.24 -3.41 116.42 117.15 2q4r h ASP 65 Ca -0.39 -0.08 -0.30 0.00 0.02 0.00 0.00 57.03 56.29 2q4r h ASP 65 Cb 1.20 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 2q4r h ASP 65 CO 0.53 0.99 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.99 2q4r s TYR 66 N -2.88 0.72 -0.06 4.55 2.02 -0.68 -2.10 117.35 118.93 2q4r s TYR 66 Ca -0.00 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.22 2q4r s TYR 66 Cb 0.10 -0.43 0.03 0.00 -0.40 0.00 0.00 41.96 41.26 2q4r s TYR 66 CO 0.82 -0.06 0.02 0.08 -1.57 0.00 0.00 175.55 174.85 2q4r s VAL 67 N -1.24 0.20 -0.58 0.71 1.01 -0.52 -1.24 120.40 118.74 2q4r s VAL 67 Ca -0.08 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2q4r s VAL 67 Cb -0.09 -0.40 0.16 0.00 0.00 0.00 0.00 36.38 36.04 2q4r s VAL 67 CO 0.01 0.22 0.39 -0.36 0.00 0.00 0.00 175.10 175.36 2q4r s PHE 68 N 2.04 2.72 0.61 5.22 0.08 0.65 -1.32 117.98 127.98 2q4r s PHE 68 Ca 0.05 -2.95 -0.09 0.00 0.12 0.00 0.00 56.93 54.06 2q4r s PHE 68 Cb -0.12 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.13 2q4r s PHE 68 CO -0.05 -0.67 0.97 -2.14 -0.10 0.00 0.00 175.22 173.24 2q4r s PRO 69 N -0.70 3.26 -1.57 0.24 0.02 -1.02 -0.64 135.00 134.59 2q4r s PRO 69 Ca 0.25 0.40 -0.15 0.00 0.02 0.00 0.00 61.00 61.52 2q4r s PRO 69 Cb -0.08 -2.17 0.11 0.00 0.02 0.00 0.00 34.50 32.38 2q4r s PRO 69 CO -0.13 -0.64 0.88 0.39 -0.33 0.00 0.00 177.00 177.17 2q4r n GLU 70 N -2.68 -4.58 -3.35 5.54 1.02 0.13 -2.25 120.64 114.47 2q4r n GLU 70 Ca 0.05 0.52 -0.19 0.00 -0.02 0.00 0.00 57.16 57.52 2q4r n GLU 70 Cb 0.56 -5.35 0.06 0.00 -0.02 0.00 0.00 31.44 26.69 2q4r n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4r n ASN 71 N -2.72 -6.35 0.00 1.62 3.02 0.65 -1.96 115.26 109.52 2q4r n ASN 71 Ca 0.05 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2q4r n ASN 71 Cb 0.51 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 2q4r n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4r n GLY 72 N -1.33 0.00 0.00 7.41 0.00 -0.95 -3.62 105.19 106.69 2q4r n GLY 72 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 2q4r n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q4r n LEU 73 N 0.00 0.00 -3.67 0.99 4.77 -0.83 -3.71 117.00 114.55 2q4r n LEU 73 Ca 0.00 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 2q4r n LEU 73 Cb 0.00 -0.38 -0.18 0.00 -2.33 0.00 0.00 43.42 40.53 2q4r n LEU 73 CO 0.00 -0.35 -0.33 -0.69 -1.33 0.00 0.00 177.39 174.69 2q4r s VAL 74 N -2.76 -0.12 0.05 4.08 1.01 -1.11 -1.53 120.40 120.03 2q4r s VAL 74 Ca 0.02 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.45 2q4r s VAL 74 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 2q4r s VAL 74 CO 0.04 0.17 -0.13 0.00 0.00 0.00 0.00 175.10 175.17 2q4r s ALA 75 N 2.18 1.08 0.02 5.51 0.00 -1.20 -2.42 121.76 126.93 2q4r s ALA 75 Ca 0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2q4r s ALA 75 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2q4r s ALA 75 CO -0.03 0.17 -0.01 0.71 0.00 0.00 0.00 175.76 176.59 2q4r s TYR 76 N -1.04 0.28 -0.23 0.00 2.02 -0.43 -0.89 117.35 117.06 2q4r s TYR 76 Ca -0.01 -0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 56.02 2q4r s TYR 76 Cb -0.09 -0.21 0.10 0.00 -0.40 0.00 0.00 41.96 41.36 2q4r s TYR 76 CO 0.01 -0.23 0.50 0.21 -1.57 0.00 0.00 175.55 174.47 2q4r s LYS 77 N -1.84 0.42 0.00 -0.62 2.20 -0.96 -1.44 119.74 117.50 2q4r s LYS 77 Ca -0.12 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 2q4r s LYS 77 Cb -0.07 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 2q4r s LYS 77 CO -0.02 -0.22 0.00 -0.25 -0.36 0.00 0.00 175.35 174.50 2q4r n ASP 78 N 5.21 -3.59 0.00 1.43 10.43 -0.89 -2.39 116.55 126.74 2q4r n ASP 78 Ca -0.12 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.24 2q4r n ASP 78 Cb 0.51 -2.34 0.00 0.00 1.84 0.00 0.00 41.12 41.12 2q4r n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2q4r n GLY 79 N -0.74 1.18 3.14 0.44 0.00 -1.26 -4.97 105.19 102.98 2q4r n GLY 79 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2q4r n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4r s LYS 80 N -0.21 1.32 0.35 1.61 1.02 -1.01 -5.09 119.74 117.73 2q4r s LYS 80 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 2q4r s LYS 80 Cb 0.00 -1.26 -0.11 0.00 -0.52 0.00 0.00 37.83 35.94 2q4r s LYS 80 CO 0.00 0.33 1.43 -1.17 -0.92 0.00 0.00 175.35 175.02 2q4r s LEU 81 N -0.33 4.36 -0.05 3.17 0.20 -1.26 -2.27 118.68 122.50 2q4r s LEU 81 Ca 0.05 2.89 -0.06 0.00 0.69 0.00 0.00 54.13 57.71 2q4r s LEU 81 Cb -0.07 -3.66 -0.03 0.00 -0.43 0.00 0.00 46.19 42.00 2q4r s LEU 81 CO -0.00 -0.75 -0.13 -0.11 -0.29 0.00 0.00 176.35 175.06 2q4r n LEU 82 N 0.84 1.09 -4.07 -0.68 7.94 -0.07 -4.93 117.00 117.13 2q4r n LEU 82 Ca 0.02 0.17 -0.08 0.00 -1.11 0.00 0.00 56.01 55.00 2q4r n LEU 82 Cb 0.40 -0.40 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 2q4r n LEU 82 CO 0.62 -0.20 -0.27 0.00 -1.11 0.00 0.00 177.39 176.43 2q4r n ARG 84 N -0.01 0.72 -1.97 0.00 1.74 -1.25 -3.26 116.66 112.63 2q4r n ARG 84 Ca -0.11 -2.93 -0.38 0.00 -0.77 0.00 0.00 57.85 53.66 2q4r n ARG 84 Cb 0.62 -1.27 0.02 0.00 -1.02 0.00 0.00 32.46 30.82 2q4r n ARG 84 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2q4r s GLN 85 N -0.80 3.42 0.39 5.56 2.00 -0.58 -5.03 119.66 124.62 2q4r s GLN 85 Ca 0.34 2.07 0.04 0.00 -2.00 0.00 0.00 55.36 55.82 2q4r s GLN 85 Cb 0.18 -2.35 -0.03 0.00 0.80 0.00 0.00 33.01 31.61 2q4r s GLN 85 CO -0.14 -0.91 0.14 0.54 -0.50 0.00 0.00 175.29 174.42 2q4r s ASN 86 N -1.07 2.55 -0.12 6.67 2.20 -1.26 -4.85 114.94 119.05 2q4r s ASN 86 Ca 0.68 -1.65 -0.03 0.00 -0.94 0.00 0.00 52.86 50.92 2q4r s ASN 86 Cb -0.36 0.46 -0.07 0.00 -2.00 0.00 0.00 41.25 39.28 2q4r s ASN 86 CO 0.43 -0.91 -0.13 0.00 -2.94 0.00 0.00 177.10 173.55 2q4r n ILE 87 N -0.84 0.70 0.12 0.54 3.06 -0.98 -4.22 119.36 117.74 2q4r n ILE 87 Ca -0.04 -0.22 0.17 0.00 -2.50 0.00 0.00 62.75 60.15 2q4r n ILE 87 Cb 0.65 -1.28 0.72 0.00 0.54 0.00 0.00 39.64 40.27 2q4r n ILE 87 CO 0.00 0.00 0.00 0.06 -2.50 0.00 0.00 176.55 174.11 2q4r h GLN 88 N -0.22 0.00 0.00 9.51 -0.00 -1.94 0.29 115.11 122.75 2q4r h GLN 88 Ca -0.30 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.12 2q4r h GLN 88 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.84 2q4r h GLN 88 CO -0.12 0.00 -0.96 0.77 -0.00 0.00 0.00 178.83 178.52 2q4r h SER 89 N 0.00 0.57 0.94 0.06 0.02 -1.94 -0.55 113.55 112.65 2q4r h SER 89 Ca 0.15 -0.46 -0.08 0.00 -0.84 0.00 0.00 61.79 60.56 2q4r h SER 89 Cb 0.66 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2q4r h SER 89 CO -0.00 1.26 -0.38 -0.74 -1.14 0.00 0.00 176.83 175.84 2q4r h HIS 90 N 0.25 0.00 0.00 3.45 -0.00 -0.69 -3.32 115.15 114.83 2q4r h HIS 90 Ca -0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 59.94 2q4r h HIS 90 Cb 1.60 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.95 2q4r h HIS 90 CO 0.06 0.38 -2.31 1.28 -0.00 0.00 0.00 177.93 177.34 2q4r n LEU 91 N -3.47 0.36 0.00 0.26 4.77 -0.19 -5.11 117.00 113.62 2q4r n LEU 91 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2q4r n LEU 91 Cb 0.53 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2q4r n LEU 91 CO 0.37 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2q4r n GLY 92 N 1.89 -0.03 0.41 -0.72 0.00 -0.22 -4.55 105.19 101.97 2q4r n GLY 92 Ca -0.32 -1.31 0.23 0.00 0.00 0.00 0.00 46.02 44.61 2q4r n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2q4r h GLU 93 N 0.00 0.38 0.10 1.61 4.39 -1.93 -2.29 114.58 116.84 2q4r h GLU 93 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2q4r h GLU 93 Cb 0.00 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2q4r h GLU 93 CO 0.00 0.25 -0.05 0.00 -1.16 0.00 0.00 179.01 178.05 2q4r h ALA 94 N 1.62 -0.14 0.66 3.43 0.00 -1.95 -2.75 119.26 120.13 2q4r h ALA 94 Ca 0.59 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 2q4r h ALA 94 Cb 1.50 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2q4r h ALA 94 CO -0.30 -0.54 -0.32 1.25 0.00 0.00 0.00 179.25 179.35 2q4r h LEU 95 N -0.23 -0.75 -1.00 0.00 5.85 -1.66 -1.91 115.31 115.61 2q4r h LEU 95 Ca -0.01 -0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.98 2q4r h LEU 95 Cb 0.18 0.19 -0.19 0.00 0.37 0.00 0.00 40.66 41.22 2q4r h LEU 95 CO 0.02 -0.47 0.04 0.40 -0.34 0.00 0.00 178.44 178.09 2q4r h ILE 96 N -0.99 0.00 -0.01 4.05 1.08 -1.52 0.53 117.51 120.65 2q4r h ILE 96 Ca -0.09 -0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 64.19 2q4r h ILE 96 Cb 0.71 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 2q4r h ILE 96 CO 0.15 0.00 -0.83 1.56 -0.69 0.00 0.00 178.15 178.34 2q4r h GLN 97 N 0.00 0.18 -0.82 2.37 4.20 -1.40 -2.53 115.11 117.11 2q4r h GLN 97 Ca 0.61 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 59.14 2q4r h GLN 97 Cb 1.28 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 2q4r h GLN 97 CO -0.93 0.91 0.53 -0.44 -0.67 0.00 0.00 178.83 178.22 2q4r h ASP 98 N 0.11 0.94 0.08 1.46 3.45 0.79 0.36 116.42 123.61 2q4r h ASP 98 Ca -0.03 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 2q4r h ASP 98 Cb 1.43 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 2q4r h ASP 98 CO 0.12 0.69 -0.04 -0.07 -1.57 0.00 0.00 179.24 178.38 2q4r h LEU 99 N 1.11 -0.09 0.50 1.55 3.38 -0.85 -2.00 115.31 118.91 2q4r h LEU 99 Ca 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2q4r h LEU 99 Cb -0.11 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2q4r h LEU 99 CO -0.06 -0.02 -0.44 0.40 0.09 0.00 0.00 178.44 178.41 2q4r h ILE 100 N -0.15 0.00 -0.27 1.22 2.04 -1.04 -1.08 117.51 118.24 2q4r h ILE 100 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 2q4r h ILE 100 Cb 0.12 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.12 2q4r h ILE 100 CO 0.02 0.00 -0.46 0.78 0.00 0.00 0.00 178.15 178.49 2q4r h ASN 101 N -0.92 -1.47 -0.53 1.72 2.35 -0.98 0.12 115.58 115.86 2q4r h ASN 101 Ca -0.06 0.20 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 2q4r h ASN 101 Cb 0.78 0.61 -0.10 0.00 0.05 0.00 0.00 38.32 39.66 2q4r h ASN 101 CO -0.02 -0.41 -0.18 0.22 -1.65 0.00 0.00 177.43 175.39 2q4r h TYR 102 N -0.43 -0.42 -0.40 1.19 3.20 -1.25 -1.61 116.97 117.25 2q4r h TYR 102 Ca 0.09 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2q4r h TYR 102 Cb 0.62 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2q4r h TYR 102 CO -0.58 -0.27 -0.06 0.00 -1.64 0.00 0.00 178.16 175.61 2q4r h LEU 104 N 0.56 -0.32 -0.97 0.00 3.38 -0.28 0.84 115.31 118.52 2q4r h LEU 104 Ca 0.11 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2q4r h LEU 104 Cb 0.57 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2q4r h LEU 104 CO 0.03 -0.15 0.01 0.28 0.09 0.00 0.00 178.44 178.70 2q4r h SER 105 N -0.17 0.72 0.51 -0.43 0.02 -1.28 0.10 113.55 113.02 2q4r h SER 105 Ca 0.05 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2q4r h SER 105 Cb 0.24 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2q4r h SER 105 CO -0.13 0.79 -0.24 0.22 -1.14 0.00 0.00 176.83 176.32 2q4r h TYR 106 N 0.71 -0.63 -0.84 3.45 3.20 -0.37 -1.80 116.97 120.69 2q4r h TYR 106 Ca 0.14 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.21 2q4r h TYR 106 Cb 0.43 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 2q4r h TYR 106 CO 0.02 -0.31 0.58 0.82 -1.64 0.00 0.00 178.16 177.63 2q4r h ILE 107 N -0.96 0.65 -0.12 1.81 2.04 0.78 1.09 117.51 122.80 2q4r h ILE 107 Ca -0.07 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2q4r h ILE 107 Cb 0.61 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2q4r h ILE 107 CO 0.11 0.04 -0.13 0.00 0.00 0.00 0.00 178.15 178.18 2q4r h ALA 108 N 1.61 1.57 0.00 1.87 0.00 -0.16 -2.60 119.26 121.56 2q4r h ALA 108 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2q4r h ALA 108 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2q4r h ALA 108 CO -0.10 0.31 -0.62 1.63 0.00 0.00 0.00 179.25 180.48 2q4r n LYS 109 N -4.30 0.17 -2.38 0.00 5.02 0.37 -4.85 118.16 112.19 2q4r n LYS 109 Ca -0.01 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 2q4r n LYS 109 Cb 0.25 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2q4r n LYS 109 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2q4r s ILE 110 N -3.10 4.17 -0.28 -0.18 1.01 -0.70 -4.97 121.20 117.15 2q4r s ILE 110 Ca 0.08 1.39 -0.27 0.00 0.00 0.00 0.00 60.65 61.85 2q4r s ILE 110 Cb 0.15 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.64 2q4r s ILE 110 CO 0.72 -0.23 0.95 -0.54 0.00 0.00 0.00 174.94 175.85 2q4r s LYS 111 N 3.77 4.11 0.16 2.79 -0.14 -1.26 -5.01 119.74 124.16 2q4r s LYS 111 Ca 0.57 1.00 0.05 0.00 -1.36 0.00 0.00 55.97 56.23 2q4r s LYS 111 Cb -0.21 -3.69 -0.05 0.00 -1.68 0.00 0.00 37.83 32.20 2q4r s LYS 111 CO 0.18 -0.71 -0.10 -0.51 -0.76 0.00 0.00 175.35 173.46 2q4r s LEU 112 N 3.22 2.50 0.29 3.17 1.43 -1.26 -5.02 118.68 123.01 2q4r s LEU 112 Ca 0.40 -1.03 0.26 0.00 -1.03 0.00 0.00 54.13 52.72 2q4r s LEU 112 Cb -0.14 -0.39 0.88 0.00 0.03 0.00 0.00 46.19 46.57 2q4r s LEU 112 CO 0.11 -0.33 1.76 1.55 0.23 0.00 0.00 176.35 179.67 2q4r h PRO 113 N 2.72 0.00 -2.24 1.29 0.13 -1.96 -3.45 132.00 128.50 2q4r h PRO 113 Ca -0.37 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 2q4r h PRO 113 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 2q4r h PRO 113 CO 0.63 0.00 0.08 0.15 -0.23 0.00 0.00 178.00 178.63 2q4r s LYS 114 N -3.25 0.96 -0.10 0.86 1.02 -1.26 -5.16 119.74 112.81 2q4r s LYS 114 Ca 0.07 0.19 -0.08 0.00 0.02 0.00 0.00 55.97 56.16 2q4r s LYS 114 Cb 0.10 0.45 0.03 0.00 -0.52 0.00 0.00 37.83 37.89 2q4r s LYS 114 CO 0.53 -0.29 0.26 0.15 -0.92 0.00 0.00 175.35 175.08 2q4r s LYS 115 N -1.15 0.29 0.00 1.68 1.02 -1.26 -4.71 119.74 115.61 2q4r s LYS 115 Ca -0.11 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.30 2q4r s LYS 115 Cb -0.01 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2q4r s LYS 115 CO 0.08 -0.07 0.00 0.54 -0.92 0.00 0.00 175.35 174.98 2q4r n ARG 116 N 3.27 0.00 -3.81 1.68 5.12 0.34 -5.04 116.66 118.21 2q4r n ARG 116 Ca -0.16 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.67 2q4r n ARG 116 Cb 0.57 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.81 2q4r n ARG 116 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2q4r s GLY 117 N -0.02 0.08 -0.55 -0.13 0.00 -1.26 -4.95 107.32 100.49 2q4r s GLY 117 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 2q4r s GLY 117 CO 0.00 -0.58 0.49 2.41 0.00 0.00 0.00 173.10 175.41 2q4r n THR 118 N -0.20 -5.34 0.28 0.90 -1.04 -1.26 -2.14 114.28 105.47 2q4r n THR 118 Ca -0.12 -0.72 0.13 0.00 -2.04 0.00 0.00 64.05 61.30 2q4r n THR 118 Cb 0.63 -4.87 0.27 0.00 -1.82 0.00 0.00 70.33 64.54 2q4r n THR 118 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2q4r h PHE 119 N -0.57 0.00 -3.16 -1.42 0.04 -1.92 -2.70 116.94 107.22 2q4r h PHE 119 Ca -0.32 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.11 2q4r h PHE 119 Cb 1.16 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 38.94 2q4r h PHE 119 CO 0.16 0.00 -0.69 0.42 -0.60 0.00 0.00 178.31 177.60 2q4r s ILE 120 N -3.26 -0.18 -0.22 -0.55 1.01 -1.26 -1.37 121.20 115.36 2q4r s ILE 120 Ca 0.07 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 2q4r s ILE 120 Cb 0.06 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 2q4r s ILE 120 CO 0.64 0.11 -0.03 -0.70 0.00 0.00 0.00 174.94 174.96 2q4r s GLU 121 N 2.23 3.41 -0.12 2.79 2.12 0.32 -4.96 118.70 124.49 2q4r s GLU 121 Ca 0.04 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.54 2q4r s GLU 121 Cb -0.13 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 2q4r s GLU 121 CO -0.05 -0.19 0.68 0.12 -0.54 0.00 0.00 175.26 175.28 2q4r s PHE 122 N 1.48 3.50 0.13 5.30 5.36 -1.26 -0.75 117.98 131.74 2q4r s PHE 122 Ca 0.06 1.14 0.07 0.00 -0.96 0.00 0.00 56.93 57.23 2q4r s PHE 122 Cb -0.14 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 2q4r s PHE 122 CO -0.02 -0.02 -0.17 1.03 -1.46 0.00 0.00 175.22 174.58 2q4r s ARG 123 N 1.25 1.12 0.27 10.12 0.52 -1.26 -5.00 118.95 125.97 2q4r s ARG 123 Ca 0.34 -1.27 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 2q4r s ARG 123 Cb -0.17 -1.15 0.60 0.00 0.52 0.00 0.00 34.95 34.75 2q4r s ARG 123 CO 0.15 0.24 1.69 -0.91 0.02 0.00 0.00 175.30 176.49 2q4r h ASN 124 N 3.58 0.20 -0.41 0.23 2.35 -1.97 -3.42 115.58 116.13 2q4r h ASN 124 Ca -0.42 0.15 -0.19 0.00 -0.55 0.00 0.00 56.30 55.29 2q4r h ASN 124 Cb 1.20 0.16 -0.11 0.00 0.05 0.00 0.00 38.32 39.61 2q4r h ASN 124 CO 0.48 -0.00 0.01 0.61 -1.65 0.00 0.00 177.43 176.87 2q4r n GLY 125 N -1.35 4.74 3.28 2.83 0.00 -1.26 -2.31 105.19 111.13 2q4r n GLY 125 Ca 0.18 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 2q4r n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 127 N -3.20 2.23 -0.27 0.99 1.43 0.67 -4.61 118.68 115.93 2q4r s LEU 127 Ca 0.46 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2q4r s LEU 127 Cb 0.41 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 45.21 2q4r s LEU 127 CO 0.02 0.21 -0.02 0.21 0.23 0.00 0.00 176.35 177.00 2q4r s ASN 128 N 0.05 4.58 -0.12 2.29 3.84 0.07 -0.55 114.94 125.10 2q4r s ASN 128 Ca -0.09 -0.92 -0.06 0.00 0.21 0.00 0.00 52.86 52.00 2q4r s ASN 128 Cb -0.15 -1.72 -0.04 0.00 -0.55 0.00 0.00 41.25 38.79 2q4r s ASN 128 CO 0.06 -0.17 0.11 -0.69 -2.79 0.00 0.00 177.10 173.62 2q4r s VAL 129 N 1.34 5.29 -0.14 -5.21 1.01 -0.77 -0.52 120.40 121.40 2q4r s VAL 129 Ca -0.00 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2q4r s VAL 129 Cb -0.17 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 32.96 2q4r s VAL 129 CO -0.02 0.60 0.15 -0.55 0.00 0.00 0.00 175.10 175.27 2q4r s SER 130 N -0.85 1.43 0.40 3.32 0.15 -0.47 -0.61 113.70 117.07 2q4r s SER 130 Ca 0.14 -0.13 0.09 0.00 0.70 0.00 0.00 55.95 56.75 2q4r s SER 130 Cb -0.12 0.11 0.87 0.00 -1.71 0.00 0.00 66.02 65.17 2q4r s SER 130 CO 0.03 -0.30 1.99 -0.65 1.20 0.00 0.00 173.24 175.52 2q4r h PRO 131 N 8.37 0.57 0.15 5.44 0.11 -1.84 -3.05 132.00 141.76 2q4r h PRO 131 Ca -0.15 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 65.63 2q4r h PRO 131 Cb 1.14 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.12 2q4r h PRO 131 CO 0.23 0.38 -1.49 0.97 -0.21 0.00 0.00 178.00 177.88 2q4r h ILE 132 N 0.59 1.05 0.00 4.15 2.10 -1.84 -3.46 117.51 120.10 2q4r h ILE 132 Ca 0.26 -2.47 0.00 0.00 1.08 0.00 0.00 64.86 63.73 2q4r h ILE 132 Cb 0.26 2.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.78 2q4r h ILE 132 CO -0.07 0.77 0.00 0.61 -1.08 0.00 0.00 178.15 178.37 2q4r n GLY 133 N 1.78 3.73 0.28 8.18 0.00 -1.15 -0.51 105.19 117.51 2q4r n GLY 133 Ca -0.23 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 2q4r n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q4r h ARG 134 N 0.00 -0.63 0.00 1.61 3.08 -1.08 -2.77 114.38 114.58 2q4r h ARG 134 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2q4r h ARG 134 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2q4r h ARG 134 CO 0.00 -0.42 0.51 -1.13 -1.07 0.00 0.00 179.97 177.86 2q4r n SER 135 N -5.37 0.14 -4.65 7.04 3.41 -1.20 -4.63 113.62 108.37 2q4r n SER 135 Ca -0.12 0.36 -0.31 0.00 -0.26 0.00 0.00 58.87 58.55 2q4r n SER 135 Cb 0.28 -0.22 0.18 0.00 -0.26 0.00 0.00 64.21 64.18 2q4r n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q4r s SER 137 N -2.67 6.60 0.19 0.00 1.04 -1.26 -4.92 113.70 112.68 2q4r s SER 137 Ca 0.67 1.45 -0.12 0.00 0.48 0.00 0.00 55.95 58.43 2q4r s SER 137 Cb -0.23 -2.46 0.15 0.00 0.10 0.00 0.00 66.02 63.58 2q4r s SER 137 CO 0.59 -0.53 1.81 -0.61 0.98 0.00 0.00 173.24 175.48 2q4r h GLN 138 N 1.04 0.59 0.11 4.02 -0.00 -1.96 0.34 115.11 119.25 2q4r h GLN 138 Ca -0.47 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.16 2q4r h GLN 138 Cb 1.18 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.50 2q4r h GLN 138 CO 0.62 0.39 -0.23 1.49 0.00 0.00 0.00 178.83 181.10 2q4r h GLU 139 N 0.61 -0.41 -0.37 1.69 4.81 -1.99 1.38 114.58 120.29 2q4r h GLU 139 Ca 0.24 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2q4r h GLU 139 Cb 0.09 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2q4r h GLU 139 CO -0.13 -0.27 0.09 0.93 -0.73 0.00 0.00 179.01 178.89 2q4r h GLU 140 N -0.42 0.55 -0.32 1.92 5.08 -1.91 -2.38 114.58 117.10 2q4r h GLU 140 Ca 0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2q4r h GLU 140 Cb 0.45 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2q4r h GLU 140 CO -0.13 0.51 0.05 -0.09 -1.00 0.00 0.00 179.01 178.34 2q4r h ARG 141 N 0.54 0.53 -0.89 2.33 2.43 0.15 -2.69 114.38 116.77 2q4r h ARG 141 Ca 0.13 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2q4r h ARG 141 Cb 0.21 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2q4r h ARG 141 CO -0.00 0.63 0.59 0.82 -1.51 0.00 0.00 179.97 180.50 2q4r h ILE 142 N 0.36 1.20 -0.70 1.20 1.08 0.22 -1.49 117.51 119.38 2q4r h ILE 142 Ca 0.10 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2q4r h ILE 142 Cb 0.36 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 2q4r h ILE 142 CO 0.01 0.21 0.42 -0.08 -0.69 0.00 0.00 178.15 178.03 2q4r h GLU 143 N 1.18 0.94 -0.25 2.37 4.81 -1.25 -2.42 114.58 119.96 2q4r h GLU 143 Ca 0.34 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 2q4r h GLU 143 Cb -0.08 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 2q4r h GLU 143 CO -0.08 0.66 -0.06 0.35 -0.73 0.00 0.00 179.01 179.14 2q4r h PHE 144 N 0.96 0.54 -0.43 0.92 3.57 -0.97 -2.60 116.94 118.94 2q4r h PHE 144 Ca 0.25 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2q4r h PHE 144 Cb -0.04 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2q4r h PHE 144 CO 0.00 0.70 0.27 -0.92 -2.23 0.00 0.00 178.31 176.13 2q4r h TYR 145 N 0.22 0.50 -0.48 0.41 3.20 -1.06 0.33 116.97 120.10 2q4r h TYR 145 Ca 0.06 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2q4r h TYR 145 Cb 0.53 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2q4r h TYR 145 CO 0.05 0.30 0.08 1.05 -1.64 0.00 0.00 178.16 178.01 2q4r h GLU 146 N 0.54 0.73 -0.43 1.82 -0.00 -1.48 0.63 114.58 116.39 2q4r h GLU 146 Ca 0.16 -0.15 -0.04 0.00 -0.00 0.00 0.00 59.36 59.33 2q4r h GLU 146 Cb -0.03 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 28.60 2q4r h GLU 146 CO -0.06 0.69 0.11 1.25 -0.00 0.00 0.00 179.01 181.00 2q4r h LEU 147 N 0.71 0.65 -1.01 3.06 5.85 -0.95 -1.15 115.31 122.47 2q4r h LEU 147 Ca 0.15 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2q4r h LEU 147 Cb 0.31 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2q4r h LEU 147 CO 0.00 0.71 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.79 2q4r h ASP 148 N 0.56 0.43 -0.62 1.25 3.58 0.28 0.21 116.42 122.11 2q4r h ASP 148 Ca 0.14 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2q4r h ASP 148 Cb 0.31 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2q4r h ASP 148 CO 0.00 0.67 0.36 0.11 -2.88 0.00 0.00 179.24 177.50 2q4r h LYS 149 N 0.38 0.85 0.01 0.28 1.79 0.76 1.02 116.57 121.65 2q4r h LYS 149 Ca 0.06 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2q4r h LYS 149 Cb 0.63 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2q4r h LYS 149 CO 0.05 0.62 -0.00 -0.22 -1.08 0.00 0.00 179.45 178.81 2q4r h LYS 150 N 0.84 -0.01 0.00 3.15 3.64 -0.69 -3.37 116.57 120.13 2q4r h LYS 150 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2q4r h LYS 150 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2q4r h LYS 150 CO -0.04 0.72 -0.84 0.39 -2.27 0.00 0.00 179.45 177.41 2q4r n GLU 151 N -4.74 0.04 -3.58 1.90 -0.58 0.68 -4.99 120.64 109.36 2q4r n GLU 151 Ca -0.09 -0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.44 2q4r n GLU 151 Cb 0.36 -1.51 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 2q4r n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2q4r n ASN 152 N -1.55 -2.42 0.14 1.62 4.13 0.35 -4.91 115.26 112.61 2q4r n ASN 152 Ca 0.04 -0.78 -0.14 0.00 1.68 0.00 0.00 54.58 55.38 2q4r n ASN 152 Cb 0.35 -4.38 -0.07 0.00 -1.54 0.00 0.00 39.78 34.14 2q4r n ASN 152 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2q4r h ILE 153 N -1.78 0.23 0.93 2.41 1.08 -1.85 -2.89 117.51 115.65 2q4r h ILE 153 Ca -0.61 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 63.81 2q4r h ILE 153 Cb 1.35 0.23 0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2q4r h ILE 153 CO 0.53 0.00 -0.45 0.03 -0.69 0.00 0.00 178.15 177.57 2q4r h ARG 154 N -0.64 -1.21 -1.00 2.37 3.08 -1.91 -2.93 114.38 112.16 2q4r h ARG 154 Ca 0.02 0.08 0.26 0.00 0.07 0.00 0.00 59.98 60.41 2q4r h ARG 154 Cb 0.65 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.90 2q4r h ARG 154 CO -0.19 -0.80 0.67 0.37 -1.07 0.00 0.00 179.97 178.95 2q4r h GLN 155 N -1.32 0.24 -0.49 0.04 4.15 -1.95 0.90 115.11 116.69 2q4r h GLN 155 Ca -0.13 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 2q4r h GLN 155 Cb 0.96 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 2q4r h GLN 155 CO 0.21 0.16 0.06 -0.22 -1.93 0.00 0.00 178.83 177.11 2q4r h LYS 156 N 0.25 0.78 0.09 1.69 3.64 -1.43 -1.56 116.57 120.03 2q4r h LYS 156 Ca 0.52 -0.18 -0.18 0.00 -1.27 0.00 0.00 60.65 59.54 2q4r h LYS 156 Cb 1.58 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2q4r h LYS 156 CO -0.16 0.75 -0.88 0.35 -2.27 0.00 0.00 179.45 177.25 2q4r h PHE 157 N 0.75 0.33 0.00 1.91 3.57 0.72 -2.06 116.94 122.16 2q4r h PHE 157 Ca 0.16 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2q4r h PHE 157 Cb 0.37 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2q4r h PHE 157 CO 0.02 1.34 0.00 0.28 -2.23 0.00 0.00 178.31 177.72 2q4r n VAL 158 N -4.20 1.57 -0.11 1.41 0.31 0.17 -0.49 118.33 116.98 2q4r n VAL 158 Ca -0.19 0.57 -0.20 0.00 -0.01 0.00 0.00 64.34 64.52 2q4r n VAL 158 Cb 0.76 -1.56 -0.12 0.00 -0.91 0.00 0.00 33.84 32.01 2q4r n VAL 158 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q4r n ALA 159 N -1.61 1.30 -0.21 3.52 0.00 -0.59 -3.47 120.51 119.44 2q4r n ALA 159 Ca -0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 53.44 52.40 2q4r n ALA 159 Cb 0.03 -0.20 0.14 0.00 0.00 0.00 0.00 19.45 19.42 2q4r n ALA 159 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2q4r h ASP 160 N -0.10 0.93 -0.21 0.00 3.32 -0.30 -1.97 116.42 118.09 2q4r h ASP 160 Ca -0.56 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.28 2q4r h ASP 160 Cb 1.89 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.19 2q4r h ASP 160 CO -0.09 0.85 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.11 2q4r h LEU 161 N 0.98 0.45 -1.58 1.55 3.38 -0.99 0.38 115.31 119.48 2q4r h LEU 161 Ca 0.22 -0.42 0.17 0.00 0.09 0.00 0.00 57.88 57.94 2q4r h LEU 161 Cb 0.24 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2q4r h LEU 161 CO -0.01 0.77 0.53 -0.09 0.09 0.00 0.00 178.44 179.72 2q4r h ARG 162 N 0.14 0.38 0.00 1.13 2.43 -1.52 0.42 114.38 117.36 2q4r h ARG 162 Ca 0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2q4r h ARG 162 Cb 0.60 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2q4r h ARG 162 CO 0.03 0.25 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.41 2q4r h LYS 163 N 0.39 0.00 -1.02 0.20 3.64 -1.02 -2.99 116.57 115.78 2q4r h LYS 163 Ca 0.39 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 60.06 2q4r h LYS 163 Cb 0.96 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 2q4r h LYS 163 CO -0.13 0.23 0.71 1.49 -2.27 0.00 0.00 179.45 179.49 2q4r h GLU 164 N -1.00 0.11 -0.66 1.90 4.57 0.14 -1.16 114.58 118.49 2q4r h GLU 164 Ca -0.01 -0.01 -0.46 0.00 -1.18 0.00 0.00 59.36 57.70 2q4r h GLU 164 Cb 0.31 -0.03 -0.32 0.00 -0.16 0.00 0.00 28.75 28.55 2q4r h GLU 164 CO -0.01 0.07 -0.42 1.19 -1.18 0.00 0.00 179.01 178.67 2q4r n PHE 165 N -4.33 2.32 -2.15 0.92 3.72 0.15 -5.04 117.46 113.04 2q4r n PHE 165 Ca 0.22 -2.19 -0.36 0.00 -0.05 0.00 0.00 57.45 55.07 2q4r n PHE 165 Cb 1.01 -0.53 0.01 0.00 -0.94 0.00 0.00 39.48 39.04 2q4r n PHE 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4r s ALA 166 N -3.55 2.65 0.00 4.37 0.00 -0.44 -2.33 121.76 122.46 2q4r s ALA 166 Ca 0.51 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2q4r s ALA 166 Cb 0.42 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2q4r s ALA 166 CO 0.01 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2q4r n GLY 167 N 0.33 1.87 0.01 0.00 0.00 -1.26 -4.78 105.19 101.35 2q4r n GLY 167 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2q4r n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4r n LYS 168 N -1.94 0.02 -1.72 1.61 4.76 -0.98 -4.90 118.16 115.01 2q4r n LYS 168 Ca 0.00 0.16 -0.04 0.00 -2.87 0.00 0.00 58.31 55.56 2q4r n LYS 168 Cb 0.00 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 31.65 2q4r n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q4r n GLY 169 N 0.63 0.38 3.98 0.72 0.00 -1.26 -5.04 105.19 104.60 2q4r n GLY 169 Ca 0.05 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 2q4r n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4r s LEU 170 N -0.99 3.98 -0.07 0.99 1.43 -1.26 -2.53 118.68 120.23 2q4r s LEU 170 Ca 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2q4r s LEU 170 Cb 0.00 -2.83 0.03 0.00 0.03 0.00 0.00 46.19 43.41 2q4r s LEU 170 CO 0.00 -0.42 -0.02 -0.89 0.23 0.00 0.00 176.35 175.26 2q4r s THR 171 N -2.20 0.46 -0.26 5.49 2.01 -0.31 -4.75 115.64 116.08 2q4r s THR 171 Ca 0.44 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.40 2q4r s THR 171 Cb -0.10 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 2q4r s THR 171 CO 0.32 0.25 0.07 -0.36 -0.69 0.00 0.00 174.62 174.21 2q4r s PHE 172 N 1.64 3.09 -0.14 4.92 0.08 -1.26 -1.81 117.98 124.49 2q4r s PHE 172 Ca 0.00 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.45 2q4r s PHE 172 Cb -0.13 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2q4r s PHE 172 CO -0.04 -0.43 -0.16 0.45 -0.10 0.00 0.00 175.22 174.94 2q4r s SER 173 N 1.58 2.74 0.96 1.36 0.15 0.01 -5.02 113.70 115.48 2q4r s SER 173 Ca 0.05 -0.51 -0.14 0.00 0.70 0.00 0.00 55.95 56.05 2q4r s SER 173 Cb -0.16 -1.23 0.22 0.00 -1.71 0.00 0.00 66.02 63.14 2q4r s SER 173 CO 0.03 -0.02 1.31 -0.63 1.20 0.00 0.00 173.24 175.13 2q4r s ILE 174 N 1.26 2.00 0.00 6.45 1.01 -1.26 -0.25 121.20 130.41 2q4r s ILE 174 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.57 2q4r s ILE 174 Cb -0.14 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.42 2q4r s ILE 174 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2q4r n GLY 175 N -3.72 3.17 7.00 6.18 0.00 -1.24 -4.78 105.19 111.80 2q4r n GLY 175 Ca 0.17 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2q4r n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q4r n GLY 176 N -1.10 0.93 0.03 -0.02 0.00 -1.26 -4.20 105.19 99.56 2q4r n GLY 176 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.24 2q4r n GLY 176 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2q4r n GLN 177 N -0.01 0.71 0.00 1.61 6.02 -1.26 -4.81 117.38 119.63 2q4r n GLN 177 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2q4r n GLN 177 Cb 0.00 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.80 2q4r n GLN 177 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2q4r n ILE 178 N -2.30 0.00 -4.28 5.09 -0.00 -1.26 -4.15 119.36 112.46 2q4r n ILE 178 Ca -0.10 -0.15 -0.14 0.00 -0.00 0.00 0.00 62.75 62.36 2q4r n ILE 178 Cb 0.65 0.65 -0.04 0.00 -0.00 0.00 0.00 39.64 40.90 2q4r n ILE 178 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2q4r n SER 179 N -0.77 1.11 -3.65 7.28 3.41 -1.26 -3.59 113.62 116.15 2q4r n SER 179 Ca 0.00 -2.21 -0.08 0.00 -0.26 0.00 0.00 58.87 56.32 2q4r n SER 179 Cb 0.00 0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 2q4r n SER 179 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2q4r s PHE 180 N -2.39 -0.98 0.45 7.33 -0.12 0.21 -3.73 117.98 118.75 2q4r s PHE 180 Ca 0.11 2.00 -0.16 0.00 -0.05 0.00 0.00 56.93 58.83 2q4r s PHE 180 Cb 0.01 0.56 -0.08 0.00 -0.63 0.00 0.00 43.02 42.87 2q4r s PHE 180 CO 0.08 -0.49 0.90 -0.51 -0.05 0.00 0.00 175.22 175.15 2q4r s ASP 181 N 1.51 6.69 -0.07 1.98 1.01 0.66 -1.85 116.67 126.60 2q4r s ASP 181 Ca -0.09 1.47 -0.01 0.00 0.71 0.00 0.00 52.55 54.63 2q4r s ASP 181 Cb -0.05 -2.46 0.03 0.00 1.01 0.00 0.00 42.92 41.44 2q4r s ASP 181 CO -0.17 -0.45 -0.01 -0.69 0.21 0.00 0.00 175.17 174.05 2q4r s VAL 182 N -2.40 0.43 0.04 -1.27 1.01 0.29 -0.81 120.40 117.70 2q4r s VAL 182 Ca 0.57 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.40 2q4r s VAL 182 Cb -0.10 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.77 2q4r s VAL 182 CO 0.26 0.25 0.46 0.72 0.00 0.00 0.00 175.10 176.79 2q4r s PHE 183 N 1.69 -0.33 0.63 5.22 -0.12 -0.75 -0.23 117.98 124.08 2q4r s PHE 183 Ca 0.01 0.33 -0.19 0.00 -0.05 0.00 0.00 56.93 57.04 2q4r s PHE 183 Cb -0.13 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 2q4r s PHE 183 CO -0.04 -0.60 1.28 -2.14 -0.05 0.00 0.00 175.22 173.68 2q4r s PRO 184 N -2.43 2.69 0.20 1.99 0.02 -1.26 -1.16 135.00 135.04 2q4r s PRO 184 Ca -0.05 2.04 -0.32 0.00 0.02 0.00 0.00 61.00 62.68 2q4r s PRO 184 Cb -0.01 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.47 2q4r s PRO 184 CO -0.02 -1.49 1.35 -0.25 -0.33 0.00 0.00 177.00 176.26 2q4r n ASP 185 N -1.76 2.28 0.00 2.53 8.00 -1.05 -1.42 116.55 125.13 2q4r n ASP 185 Ca 0.15 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.78 2q4r n ASP 185 Cb 0.48 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 186 N 2.27 0.99 1.32 0.44 0.00 -1.26 -4.91 105.19 104.04 2q4r n GLY 186 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2q4r n GLY 186 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2q4r n TRP 187 N -2.02 0.00 -2.71 1.61 7.02 -0.51 -1.89 117.44 118.94 2q4r n TRP 187 Ca 0.00 -0.77 0.00 0.00 -1.02 0.00 0.00 57.50 55.71 2q4r n TRP 187 Cb 0.00 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.50 2q4r n TRP 187 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2q4r n ASP 188 N 1.14 0.33 0.21 -0.99 5.75 -1.26 -4.80 116.55 116.92 2q4r n ASP 188 Ca 0.00 -0.55 0.09 0.00 -0.01 0.00 0.00 54.79 54.33 2q4r n ASP 188 Cb 0.48 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.07 2q4r n ASP 188 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2q4r h LYS 189 N 0.00 0.00 0.00 0.11 1.57 -1.89 0.56 116.57 116.92 2q4r h LYS 189 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2q4r h LYS 189 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2q4r h LYS 189 CO 0.00 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.62 2q4r h ARG 190 N 0.00 0.00 -0.85 3.15 3.08 -1.92 -3.26 114.38 114.59 2q4r h ARG 190 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 2q4r h ARG 190 Cb 0.57 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.47 2q4r h ARG 190 CO 0.00 0.26 0.06 -0.92 -1.07 0.00 0.00 179.97 178.31 2q4r h TYR 191 N 0.00 0.04 -0.90 3.04 3.20 0.87 -1.86 116.97 121.36 2q4r h TYR 191 Ca -0.00 0.06 0.12 0.00 3.14 0.00 0.00 58.73 62.05 2q4r h TYR 191 Cb 0.84 0.12 -0.14 0.00 1.54 0.00 0.00 36.73 39.09 2q4r h TYR 191 CO 0.00 -0.28 -0.46 0.00 -1.64 0.00 0.00 178.16 175.78 2q4r n LEU 193 N -5.39 0.00 0.04 0.00 4.77 -0.70 0.25 117.00 115.97 2q4r n LEU 193 Ca 0.06 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.26 2q4r n LEU 193 Cb 0.35 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.14 2q4r n LEU 193 CO -0.11 0.00 1.20 0.08 -1.33 0.00 0.00 177.39 177.22 2q4r h ARG 194 N 0.00 0.00 -0.00 3.23 0.11 -1.72 0.89 114.38 116.88 2q4r h ARG 194 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2q4r h ARG 194 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2q4r h ARG 194 CO 0.00 0.00 -0.31 0.72 0.10 0.00 0.00 179.97 180.48 2q4r n HIS 195 N -3.65 0.00 0.00 4.08 8.25 0.70 -4.32 115.22 120.28 2q4r n HIS 195 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2q4r n HIS 195 Cb 0.76 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2q4r n HIS 195 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2q4r n VAL 196 N -1.20 0.00 -0.14 1.59 0.24 0.18 -4.83 118.33 114.17 2q4r n VAL 196 Ca 0.09 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2q4r n VAL 196 Cb 0.33 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 2q4r n VAL 196 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2q4r n GLU 197 N -0.76 0.45 0.00 7.34 0.28 -0.45 -2.25 120.64 125.25 2q4r n GLU 197 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2q4r n GLU 197 Cb 0.00 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 31.59 2q4r n GLU 197 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2q4r n ASN 198 N 1.65 0.00 -1.95 -1.84 3.02 -1.26 -4.94 115.26 109.94 2q4r n ASN 198 Ca 0.00 -1.00 -0.19 0.00 -0.03 0.00 0.00 54.58 53.36 2q4r n ASN 198 Cb 0.22 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.52 2q4r n ASN 198 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2q4r n ASP 199 N 0.00 4.18 -3.72 6.41 8.00 -0.95 -4.93 116.55 125.54 2q4r n ASP 199 Ca 0.00 -3.24 -0.27 0.00 0.71 0.00 0.00 54.79 51.99 2q4r n ASP 199 Cb 0.33 -0.80 0.03 0.00 -0.02 0.00 0.00 41.12 40.65 2q4r n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 200 N -0.65 -0.69 3.67 0.44 0.00 -1.26 -4.99 105.19 101.71 2q4r n GLY 200 Ca 0.45 0.33 -0.35 0.00 0.00 0.00 0.00 46.02 46.45 2q4r n GLY 200 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4r s TYR 201 N -3.61 3.32 -1.39 1.61 2.02 -1.26 -4.87 117.35 113.17 2q4r s TYR 201 Ca 0.28 0.19 0.29 0.00 -0.37 0.00 0.00 57.07 57.46 2q4r s TYR 201 Cb -0.09 -2.15 1.45 0.00 -0.40 0.00 0.00 41.96 40.77 2q4r s TYR 201 CO 0.85 0.18 2.01 1.63 -1.57 0.00 0.00 175.55 178.65 2q4r n LYS 202 N 3.71 0.38 -3.59 -0.62 4.01 0.33 -4.85 118.16 117.53 2q4r n LYS 202 Ca -0.16 0.01 -0.09 0.00 -0.51 0.00 0.00 58.31 57.56 2q4r n LYS 202 Cb 0.52 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.49 2q4r n LYS 202 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2q4r s THR 203 N -2.61 0.00 -0.37 -0.18 2.01 -1.25 -4.78 115.64 108.45 2q4r s THR 203 Ca 0.26 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2q4r s THR 203 Cb 0.20 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.83 2q4r s THR 203 CO 0.45 0.00 0.19 -0.63 -0.69 0.00 0.00 174.62 173.94 2q4r s ILE 204 N -1.11 0.83 0.48 1.82 1.01 -1.26 -2.45 121.20 120.52 2q4r s ILE 204 Ca 0.01 -1.90 -0.21 0.00 0.00 0.00 0.00 60.65 58.55 2q4r s ILE 204 Cb -0.01 -1.60 -0.08 0.00 0.01 0.00 0.00 42.46 40.78 2q4r s ILE 204 CO -0.01 -0.85 1.10 -0.31 0.00 0.00 0.00 174.94 174.87 2q4r s TYR 205 N 1.00 2.93 -0.04 3.97 2.02 -1.03 -4.36 117.35 121.85 2q4r s TYR 205 Ca 0.15 1.57 0.01 0.00 -0.37 0.00 0.00 57.07 58.43 2q4r s TYR 205 Cb -0.22 -3.22 0.02 0.00 -0.40 0.00 0.00 41.96 38.15 2q4r s TYR 205 CO -0.09 -1.16 -0.04 0.12 -1.57 0.00 0.00 175.55 172.81 2q4r s PHE 206 N -1.75 0.69 -0.13 2.71 5.36 -1.26 -0.79 117.98 122.81 2q4r s PHE 206 Ca 0.66 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 2q4r s PHE 206 Cb -0.23 -0.63 -0.00 0.00 -0.34 0.00 0.00 43.02 41.82 2q4r s PHE 206 CO 0.27 -0.18 -0.17 -0.06 -1.46 0.00 0.00 175.22 173.61 2q4r s PHE 207 N 0.94 2.73 0.00 10.12 0.08 -0.95 -1.75 117.98 129.15 2q4r s PHE 207 Ca -0.11 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 55.99 2q4r s PHE 207 Cb -0.14 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2q4r s PHE 207 CO -0.00 -0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.13 2q4r n GLY 208 N 3.77 -0.68 3.23 4.36 0.00 -0.82 -2.93 105.19 112.13 2q4r n GLY 208 Ca -0.19 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2q4r n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q4r s ASP 209 N -4.00 2.44 0.00 1.61 -0.00 -1.26 0.12 116.67 115.57 2q4r s ASP 209 Ca 0.00 -0.42 0.28 0.00 -0.00 0.00 0.00 52.55 52.41 2q4r s ASP 209 Cb 0.00 -0.25 1.12 0.00 -0.00 0.00 0.00 42.92 43.79 2q4r s ASP 209 CO 0.00 0.22 1.81 2.29 -0.00 0.00 0.00 175.17 179.49 2q4r n LYS 210 N 2.34 0.38 -4.49 8.23 2.85 -1.26 -4.71 118.16 121.51 2q4r n LYS 210 Ca -0.16 -0.12 -0.25 0.00 -1.05 0.00 0.00 58.31 56.73 2q4r n LYS 210 Cb 0.53 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 2q4r n LYS 210 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2q4r s THR 211 N -2.70 2.39 0.00 0.58 2.01 -1.26 -2.08 115.64 114.57 2q4r s THR 211 Ca 0.22 -2.19 0.00 0.00 0.31 0.00 0.00 61.69 60.03 2q4r s THR 211 Cb 0.19 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 70.09 2q4r s THR 211 CO 0.53 -0.24 0.00 -3.20 -0.69 0.00 0.00 174.62 171.01 2q4r n ASN 216 N -0.79 0.00 -3.16 3.53 5.15 -1.26 -4.71 115.26 114.03 2q4r n ASN 216 Ca -0.05 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.98 2q4r n ASN 216 Cb 0.62 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.85 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2q4r s ASP 217 N -4.36 -0.05 -0.48 1.20 -1.08 -1.26 -5.11 116.67 105.52 2q4r s ASP 217 Ca 0.00 0.04 -0.20 0.00 -0.52 0.00 0.00 52.55 51.87 2q4r s ASP 217 Cb 0.00 1.05 0.04 0.00 -1.46 0.00 0.00 42.92 42.55 2q4r s ASP 217 CO 0.00 -0.01 0.64 -1.00 0.52 0.00 0.00 175.17 175.32 2q4r s HIS 218 N 2.74 3.04 0.24 -5.34 3.76 -0.88 -4.95 115.29 113.89 2q4r s HIS 218 Ca -0.08 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.43 2q4r s HIS 218 Cb -0.06 -3.48 0.44 0.00 1.11 0.00 0.00 32.58 30.58 2q4r s HIS 218 CO -0.09 -0.99 1.70 0.93 -0.85 0.00 0.00 174.74 175.43 2q4r h GLU 219 N 8.97 0.29 -0.80 1.40 3.07 -1.89 -1.17 114.58 124.45 2q4r h GLU 219 Ca -0.27 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.66 2q4r h GLU 219 Cb 1.09 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.87 2q4r h GLU 219 CO 0.94 0.19 0.46 0.97 -1.40 0.00 0.00 179.01 180.18 2q4r h ILE 220 N 0.30 0.93 0.11 3.13 2.10 -1.92 -1.18 117.51 120.98 2q4r h ILE 220 Ca 0.40 -0.27 -0.01 0.00 1.08 0.00 0.00 64.86 66.06 2q4r h ILE 220 Cb 0.66 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 2q4r h ILE 220 CO -0.47 0.14 -0.05 0.15 -1.08 0.00 0.00 178.15 176.84 2q4r h PHE 221 N 0.79 -0.14 -1.46 2.19 3.57 -1.55 -3.03 116.94 117.31 2q4r h PHE 221 Ca 0.38 -0.00 -0.66 0.00 3.53 0.00 0.00 57.97 61.22 2q4r h PHE 221 Cb 0.32 0.05 -0.20 0.00 2.79 0.00 0.00 35.95 38.90 2q4r h PHE 221 CO -0.06 0.00 1.07 0.25 -2.23 0.00 0.00 178.31 177.34 2q4r n THR 222 N -5.11 4.17 -4.67 4.41 -2.24 -0.63 -4.48 114.28 105.74 2q4r n THR 222 Ca -0.08 -3.98 -0.33 0.00 -2.27 0.00 0.00 64.05 57.39 2q4r n THR 222 Cb 0.13 -1.61 -0.16 0.00 -2.10 0.00 0.00 70.33 66.59 2q4r n THR 222 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2q4r s ASP 223 N -0.20 3.52 0.00 3.42 -1.08 -0.54 -4.87 116.67 116.92 2q4r s ASP 223 Ca 0.54 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 2q4r s ASP 223 Cb 0.33 -1.53 0.00 0.00 -1.46 0.00 0.00 42.92 40.26 2q4r s ASP 223 CO -0.23 0.10 0.28 -0.81 0.52 0.00 0.00 175.17 175.03 2q4r n PRO 224 N 3.94 0.34 0.00 4.34 -0.04 -1.26 -1.40 135.00 140.91 2q4r n PRO 224 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2q4r n PRO 224 Cb 0.52 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2q4r n PRO 224 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2q4r n ARG 225 N 0.65 1.78 0.00 0.54 1.74 -1.26 -5.20 116.66 114.92 2q4r n ARG 225 Ca 0.00 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2q4r n ARG 225 Cb 0.14 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 2q4r n ARG 225 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2q4r n THR 226 N -0.31 0.00 -3.62 0.55 -2.24 -0.50 -4.40 114.28 103.77 2q4r n THR 226 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2q4r n THR 226 Cb 0.04 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 2q4r n THR 226 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2q4r s GLY 228 N 0.00 -0.06 -0.03 3.38 0.00 -1.26 -4.75 107.32 104.60 2q4r s GLY 228 Ca 0.00 2.58 0.00 0.00 0.00 0.00 0.00 44.72 47.30 2q4r s GLY 228 CO 0.00 1.30 0.01 -0.19 0.00 0.00 0.00 173.10 174.22 2q4r s TYR 229 N -0.73 0.23 0.01 1.90 2.02 -0.72 -4.97 117.35 115.10 2q4r s TYR 229 Ca 0.03 0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.53 2q4r s TYR 229 Cb -0.02 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 2q4r s TYR 229 CO -0.05 -0.13 0.74 -1.54 -1.57 0.00 0.00 175.55 173.01 2q4r s SER 230 N 1.11 7.14 -0.01 2.29 1.04 -1.25 -1.95 113.70 122.08 2q4r s SER 230 Ca -0.09 1.37 0.07 0.00 0.48 0.00 0.00 55.95 57.79 2q4r s SER 230 Cb -0.13 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 2q4r s SER 230 CO -0.02 -0.01 -0.23 0.68 0.98 0.00 0.00 173.24 174.63 2q4r s VAL 231 N 0.15 1.85 -2.31 5.02 -7.23 0.32 -4.89 120.40 113.32 2q4r s VAL 231 Ca 0.38 -1.03 0.20 0.00 -1.81 0.00 0.00 61.98 59.71 2q4r s VAL 231 Cb -0.20 -1.55 0.23 0.00 0.56 0.00 0.00 36.38 35.43 2q4r s VAL 231 CO 0.21 0.49 1.19 0.35 -0.31 0.00 0.00 175.10 177.04 2q4r n THR 232 N 2.42 0.20 0.00 5.32 -2.24 -1.26 -4.63 114.28 114.09 2q4r n THR 232 Ca -0.16 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2q4r n THR 232 Cb 0.52 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 2q4r n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4r n ALA 233 N 1.15 0.00 -0.03 6.98 0.00 -1.25 -4.97 120.51 122.39 2q4r n ALA 233 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.63 2q4r n ALA 233 Cb 0.51 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.38 2q4r n ALA 233 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2q4r h PRO 234 N 0.00 0.54 -1.00 0.00 0.11 -1.67 -0.47 132.00 129.51 2q4r h PRO 234 Ca 0.00 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.19 2q4r h PRO 234 Cb 0.00 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 30.91 2q4r h PRO 234 CO 0.00 0.36 0.63 0.93 -0.21 0.00 0.00 178.00 179.71 2q4r h GLU 235 N 0.56 1.00 0.00 1.05 3.07 -1.94 -1.89 114.58 116.44 2q4r h GLU 235 Ca 0.18 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 2q4r h GLU 235 Cb 0.05 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 2q4r h GLU 235 CO -0.04 0.66 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.66 2q4r h ASP 236 N 1.03 0.11 -1.01 1.42 5.19 -1.51 -2.21 116.42 119.44 2q4r h ASP 236 Ca 0.48 -0.79 0.24 0.00 -0.62 0.00 0.00 57.03 56.34 2q4r h ASP 236 Cb 0.42 -0.03 -0.11 0.00 0.18 0.00 0.00 39.33 39.78 2q4r h ASP 236 CO -0.25 0.89 0.61 0.74 -3.12 0.00 0.00 179.24 178.12 2q4r h THR 237 N -0.66 0.57 0.02 0.35 2.02 -0.96 0.86 112.91 115.11 2q4r h THR 237 Ca -0.02 -0.20 -0.27 0.00 0.77 0.00 0.00 66.41 66.70 2q4r h THR 237 Cb 0.91 -0.06 0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2q4r h THR 237 CO 0.02 0.11 -1.05 0.03 0.37 0.00 0.00 175.52 175.00 2q4r h ARG 238 N 0.58 0.68 -0.15 6.66 3.08 -1.41 -2.49 114.38 121.34 2q4r h ARG 238 Ca 0.62 -0.76 0.03 0.00 0.07 0.00 0.00 59.98 59.94 2q4r h ARG 238 Cb 1.21 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.45 2q4r h ARG 238 CO -0.42 1.33 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.67 2q4r h ARG 239 N 0.35 -0.02 -0.43 0.04 2.43 -0.28 0.14 114.38 116.61 2q4r h ARG 239 Ca -0.14 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 2q4r h ARG 239 Cb 1.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.25 2q4r h ARG 239 CO 0.21 -0.01 -0.15 0.82 -1.51 0.00 0.00 179.97 179.32 2q4r h ILE 240 N -0.02 1.26 -0.69 1.20 2.04 -1.02 -2.65 117.51 117.63 2q4r h ILE 240 Ca 0.08 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 2q4r h ILE 240 Cb 0.13 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2q4r h ILE 240 CO -0.16 0.42 0.20 0.00 0.00 0.00 0.00 178.15 178.61 2q4r n GLU 242 N -4.25 0.17 -0.13 0.00 4.07 0.44 -0.67 120.64 120.27 2q4r n GLU 242 Ca 0.06 0.51 -0.28 0.00 -0.06 0.00 0.00 57.16 57.39 2q4r n GLU 242 Cb 0.23 -1.89 -0.10 0.00 -0.06 0.00 0.00 31.44 29.61 2q4r n GLU 242 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2q4r n LEU 243 N -2.22 1.96 0.15 4.31 7.94 -0.14 -4.36 117.00 124.64 2q4r n LEU 243 Ca 0.01 0.35 0.13 0.00 -1.11 0.00 0.00 56.01 55.38 2q4r n LEU 243 Cb 0.15 -0.86 0.50 0.00 0.53 0.00 0.00 43.42 43.73 2q4r n LEU 243 CO 0.15 0.51 0.88 -0.07 -1.11 0.00 0.00 177.39 177.75 2q4r h LEU 244 N -0.97 0.00 -8.39 -1.96 4.07 -0.04 -3.44 115.31 104.58 2q4r h LEU 244 Ca -0.61 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.06 2q4r h LEU 244 Cb 1.55 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 43.11 2q4r h LEU 244 CO -0.36 0.00 -0.72 -0.36 -1.08 0.00 0.00 178.44 175.91 2q4r s PHE 245 N -3.33 0.94 0.00 1.13 0.08 0.16 -5.06 117.98 111.89 2q4r s PHE 245 Ca 0.05 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.41 2q4r s PHE 245 Cb 0.10 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 42.02 2q4r s PHE 245 CO 0.44 -0.05 0.00 -1.13 -0.10 0.00 0.00 175.22 174.38