#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 -0.24 3.71 0.55 0.00 -1.26 -4.08 105.19 103.87 2q4r n GLY 5 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2q4r n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2q4r s PRO 6 N -0.43 1.67 0.06 1.61 0.02 -1.25 -4.63 135.00 132.05 2q4r s PRO 6 Ca 0.00 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2q4r s PRO 6 Cb 0.00 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.69 2q4r s PRO 6 CO 0.00 -2.15 -0.05 0.00 -0.33 0.00 0.00 177.00 174.47 2q4r s ALA 7 N -2.38 0.62 0.04 -1.55 0.00 -1.26 -0.53 121.76 116.70 2q4r s ALA 7 Ca 0.69 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2q4r s ALA 7 Cb -0.25 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2q4r s ALA 7 CO 0.52 -0.25 -0.11 -1.17 0.00 0.00 0.00 175.76 174.75 2q4r s LEU 8 N -2.56 2.21 -0.16 0.00 2.96 -1.19 -2.94 118.68 117.00 2q4r s LEU 8 Ca 0.03 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2q4r s LEU 8 Cb 0.02 -0.40 0.01 0.00 0.50 0.00 0.00 46.19 46.31 2q4r s LEU 8 CO -0.06 -0.07 -0.18 0.00 -1.32 0.00 0.00 176.35 174.72 2q4r s LEU 10 N 0.93 2.60 0.05 0.00 1.43 -0.41 0.75 118.68 124.04 2q4r s LEU 10 Ca -0.04 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.74 2q4r s LEU 10 Cb -0.15 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2q4r s LEU 10 CO -0.03 0.12 -0.20 -0.36 0.23 0.00 0.00 176.35 176.10 2q4r s PHE 11 N 0.64 2.49 0.52 0.29 0.08 0.23 -0.30 117.98 121.93 2q4r s PHE 11 Ca -0.07 -0.30 -0.18 0.00 0.12 0.00 0.00 56.93 56.50 2q4r s PHE 11 Cb -0.16 -1.43 -0.07 0.00 -0.57 0.00 0.00 43.02 40.79 2q4r s PHE 11 CO 0.03 0.23 1.01 0.34 -0.10 0.00 0.00 175.22 176.73 2q4r s ASP 12 N -1.46 6.42 0.00 1.36 3.68 0.24 -0.91 116.67 126.01 2q4r s ASP 12 Ca 0.14 1.71 0.00 0.00 2.13 0.00 0.00 52.55 56.53 2q4r s ASP 12 Cb -0.10 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 2q4r s ASP 12 CO 0.05 -0.73 0.00 1.33 0.13 0.00 0.00 175.17 175.95 2q4r n VAL 13 N -1.45 0.00 -1.70 1.11 0.24 -0.98 -4.10 118.33 111.45 2q4r n VAL 13 Ca 0.08 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 2q4r n VAL 13 Cb 0.53 -0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2q4r s ASP 14 N -1.00 6.40 0.00 -1.34 2.15 -1.26 -2.43 116.67 119.18 2q4r s ASP 14 Ca 0.00 2.81 0.00 0.00 0.43 0.00 0.00 52.55 55.79 2q4r s ASP 14 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2q4r s ASP 14 CO 0.00 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.61 2q4r n GLY 15 N 4.18 2.70 0.12 2.66 0.00 -1.05 -4.82 105.19 108.97 2q4r n GLY 15 Ca 0.17 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 0.98 -0.01 2.61 2.02 -1.67 -3.23 112.91 113.61 2q4r h THR 16 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 2q4r h THR 16 Cb 0.00 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2q4r h THR 16 CO 0.00 0.59 -0.32 0.18 0.37 0.00 0.00 175.52 176.34 2q4r n LEU 17 N -4.09 1.19 -4.10 2.58 4.77 -1.05 -3.19 117.00 113.11 2q4r n LEU 17 Ca -0.28 -0.71 -0.15 0.00 -0.03 0.00 0.00 56.01 54.85 2q4r n LEU 17 Cb 0.81 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.86 2q4r n LEU 17 CO 0.33 0.24 0.10 0.42 -1.33 0.00 0.00 177.39 177.15 2q4r s THR 18 N -1.68 0.00 0.29 -5.08 -4.23 -1.25 -4.63 115.64 99.05 2q4r s THR 18 Ca 0.09 -1.64 -0.22 0.00 -1.18 0.00 0.00 61.69 58.74 2q4r s THR 18 Cb 0.10 -2.59 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 2q4r s THR 18 CO 0.35 0.00 0.83 0.00 -0.54 0.00 0.00 174.62 175.26 2q4r s ALA 19 N -3.21 3.29 0.58 3.99 0.00 -1.26 -2.54 121.76 122.60 2q4r s ALA 19 Ca 0.31 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.42 2q4r s ALA 19 Cb 0.00 -2.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.02 2q4r s ALA 19 CO 0.20 0.25 0.19 -2.30 0.00 0.00 0.00 175.76 174.09 2q4r n PRO 20 N 0.47 0.24 -3.86 0.00 -0.02 -1.26 -2.30 135.00 128.27 2q4r n PRO 20 Ca 0.01 0.10 -0.26 0.00 -2.02 0.00 0.00 63.50 61.32 2q4r n PRO 20 Cb 0.51 -1.38 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 2q4r n PRO 20 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2q4r n ARG 21 N 0.66 -0.90 -3.67 -0.52 0.63 -1.26 -4.89 116.66 106.71 2q4r n ARG 21 Ca 0.09 0.08 -0.15 0.00 -0.92 0.00 0.00 57.85 56.95 2q4r n ARG 21 Cb 0.48 -2.97 -0.08 0.00 0.45 0.00 0.00 32.46 30.34 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2q4r s GLN 22 N -6.16 0.78 0.65 -0.14 -0.21 -0.97 -5.13 119.66 108.47 2q4r s GLN 22 Ca 0.19 0.15 -0.16 0.00 0.02 0.00 0.00 55.36 55.56 2q4r s GLN 22 Cb -0.11 0.36 -0.01 0.00 1.00 0.00 0.00 33.01 34.25 2q4r s GLN 22 CO 0.77 -0.20 1.13 0.21 -2.12 0.00 0.00 175.29 175.08 2q4r s LYS 23 N -0.92 2.80 0.70 2.91 2.20 -1.26 -4.41 119.74 121.76 2q4r s LYS 23 Ca -0.10 1.51 -0.15 0.00 -0.36 0.00 0.00 55.97 56.88 2q4r s LYS 23 Cb -0.03 -1.94 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2q4r s LYS 23 CO 0.05 -1.27 1.15 -1.50 -0.36 0.00 0.00 175.35 173.42 2q4r s ILE 24 N -2.14 2.82 0.34 5.43 2.07 1.12 -4.69 121.20 126.15 2q4r s ILE 24 Ca 0.70 0.38 -0.07 0.00 -1.41 0.00 0.00 60.65 60.25 2q4r s ILE 24 Cb -0.23 -2.90 -0.06 0.00 0.13 0.00 0.00 42.46 39.40 2q4r s ILE 24 CO 0.39 -0.24 0.64 -0.89 -1.91 0.00 0.00 174.94 172.93 2q4r s THR 25 N -2.22 4.94 0.35 4.00 2.01 -1.26 -4.98 115.64 118.48 2q4r s THR 25 Ca 0.70 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.97 2q4r s THR 25 Cb -0.24 -3.74 0.27 0.00 0.01 0.00 0.00 72.50 68.80 2q4r s THR 25 CO 0.44 -0.41 2.00 0.11 -0.69 0.00 0.00 174.62 176.07 2q4r h LYS 26 N 1.47 0.85 0.00 4.92 1.79 -2.00 -1.68 116.57 121.92 2q4r h LYS 26 Ca -0.47 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2q4r h LYS 26 Cb 1.19 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2q4r h LYS 26 CO 0.65 0.56 0.00 -1.91 -1.08 0.00 0.00 179.45 177.67 2q4r n GLU 27 N -4.44 0.00 0.00 3.15 2.13 -1.26 -0.63 120.64 119.58 2q4r n GLU 27 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2q4r n GLU 27 Cb 0.06 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 30.88 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 0.10 0.00 0.02 4.31 2.03 -0.63 -2.11 116.55 120.27 2q4r n ASP 29 Ca 0.00 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.49 2q4r n ASP 29 Cb 0.00 0.00 0.66 0.00 -0.72 0.00 0.00 41.12 41.06 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 0.04 0.52 1.67 3.32 -1.16 -0.80 116.42 120.00 2q4r h ASP 30 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2q4r h ASP 30 Cb 0.00 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2q4r h ASP 30 CO 0.00 0.02 -0.25 0.15 -1.72 0.00 0.00 179.24 177.44 2q4r h PHE 31 N 0.04 -0.64 0.61 4.55 3.57 -1.64 -2.55 116.94 120.88 2q4r h PHE 31 Ca 0.23 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2q4r h PHE 31 Cb 0.86 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2q4r h PHE 31 CO -0.00 -0.34 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.36 2q4r h LEU 32 N -0.85 -0.76 -1.80 0.59 3.38 -1.48 -1.76 115.31 112.62 2q4r h LEU 32 Ca -0.07 0.03 0.41 0.00 0.09 0.00 0.00 57.88 58.34 2q4r h LEU 32 Cb 0.60 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 2q4r h LEU 32 CO 0.12 -0.52 0.97 1.56 0.09 0.00 0.00 178.44 180.66 2q4r h GLN 33 N -0.85 0.07 -0.22 1.13 1.08 -1.32 1.69 115.11 116.70 2q4r h GLN 33 Ca -0.08 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.06 2q4r h GLN 33 Cb 0.66 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2q4r h GLN 33 CO 0.12 0.05 -0.08 -0.22 -0.95 0.00 0.00 178.83 177.75 2q4r h LYS 34 N 0.07 0.44 -0.73 1.46 3.64 -1.07 -2.99 116.57 117.39 2q4r h LYS 34 Ca 0.71 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.88 2q4r h LYS 34 Cb 2.60 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 34.37 2q4r h LYS 34 CO -0.13 0.70 0.33 1.25 -2.27 0.00 0.00 179.45 179.34 2q4r h LEU 35 N 0.15 0.98 -2.59 5.20 5.85 0.32 -2.35 115.31 122.87 2q4r h LEU 35 Ca 0.05 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2q4r h LEU 35 Cb 0.56 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2q4r h LEU 35 CO 0.03 0.85 0.08 -0.09 -0.34 0.00 0.00 178.44 178.97 2q4r h ARG 36 N 1.03 0.00 -0.90 1.25 2.43 -0.61 -2.09 114.38 115.49 2q4r h ARG 36 Ca 0.25 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.51 2q4r h ARG 36 Cb 0.15 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 2q4r h ARG 36 CO -0.03 0.00 0.55 1.96 -1.51 0.00 0.00 179.97 180.94 2q4r h GLN 37 N 0.00 0.90 0.00 0.20 1.08 -1.27 -3.33 115.11 112.69 2q4r h GLN 37 Ca 0.02 -0.05 -0.29 0.00 -1.45 0.00 0.00 58.65 56.88 2q4r h GLN 37 Cb 0.17 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 2q4r h GLN 37 CO -0.00 0.60 -1.87 0.36 -0.95 0.00 0.00 178.83 176.96 2q4r n LYS 38 N -4.65 0.56 -4.08 1.46 0.00 -0.83 -5.00 118.16 105.62 2q4r n LYS 38 Ca 0.15 0.29 -0.31 0.00 -0.00 0.00 0.00 58.31 58.44 2q4r n LYS 38 Cb 0.26 -1.51 -0.07 0.00 -0.00 0.00 0.00 35.03 33.72 2q4r n LYS 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2q4r s ILE 39 N -2.59 4.57 0.60 0.58 2.07 -0.95 -5.00 121.20 120.48 2q4r s ILE 39 Ca -0.34 -0.64 -0.16 0.00 -1.41 0.00 0.00 60.65 58.10 2q4r s ILE 39 Cb 0.10 -3.16 -0.03 0.00 0.13 0.00 0.00 42.46 39.50 2q4r s ILE 39 CO 0.47 0.21 1.07 -0.54 -1.91 0.00 0.00 174.94 174.23 2q4r s LYS 40 N -2.14 3.27 0.09 3.50 -0.14 -1.15 -3.79 119.74 119.38 2q4r s LYS 40 Ca 0.27 1.24 0.02 0.00 -1.36 0.00 0.00 55.97 56.14 2q4r s LYS 40 Cb -0.12 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 2q4r s LYS 40 CO 0.19 -0.85 -0.07 0.96 -0.76 0.00 0.00 175.35 174.82 2q4r s ILE 41 N -2.40 0.70 0.19 2.17 -4.36 -1.26 -1.04 121.20 115.20 2q4r s ILE 41 Ca 0.64 -1.81 -0.20 0.00 -0.26 0.00 0.00 60.65 59.02 2q4r s ILE 41 Cb -0.17 -1.53 0.04 0.00 1.25 0.00 0.00 42.46 42.05 2q4r s ILE 41 CO 0.37 -0.79 0.58 -0.83 0.24 0.00 0.00 174.94 174.50 2q4r s GLY 42 N -2.83 -0.30 0.04 6.27 0.00 0.23 -1.13 107.32 109.60 2q4r s GLY 42 Ca 0.09 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.88 2q4r s GLY 42 CO -0.04 -0.08 -0.10 -1.34 0.00 0.00 0.00 173.10 171.55 2q4r s VAL 43 N -3.83 0.73 0.02 1.40 -7.23 -0.27 -0.60 120.40 110.62 2q4r s VAL 43 Ca 0.06 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2q4r s VAL 43 Cb -0.02 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 2q4r s VAL 43 CO -0.05 -0.19 -0.04 0.54 -0.31 0.00 0.00 175.10 175.04 2q4r s VAL 44 N -1.04 0.22 0.07 1.32 0.11 -0.09 0.13 120.40 121.12 2q4r s VAL 44 Ca -0.04 -0.92 -0.26 0.00 -2.93 0.00 0.00 61.98 57.83 2q4r s VAL 44 Cb -0.08 -0.34 0.09 0.00 -1.53 0.00 0.00 36.38 34.51 2q4r s VAL 44 CO 0.01 -0.45 0.80 -0.83 -3.33 0.00 0.00 175.10 171.30 2q4r s GLY 45 N -1.43 -0.49 0.10 6.54 0.00 0.12 -2.32 107.32 109.85 2q4r s GLY 45 Ca -0.14 0.75 0.27 0.00 0.00 0.00 0.00 44.72 45.61 2q4r s GLY 45 CO -0.01 0.25 1.82 0.61 0.00 0.00 0.00 173.10 175.77 2q4r n GLY 46 N -0.31 -1.58 4.00 0.20 0.00 -1.26 -1.33 105.19 104.91 2q4r n GLY 46 Ca -0.11 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2q4r n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q4r s SER 47 N -3.74 4.24 0.75 1.61 0.01 -1.26 -3.78 113.70 111.54 2q4r s SER 47 Ca 0.12 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.84 2q4r s SER 47 Cb 0.16 0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.56 2q4r s SER 47 CO 0.57 -1.95 1.11 1.51 0.41 0.00 0.00 173.24 174.90 2q4r s ASP 48 N -4.78 4.87 0.21 2.44 1.47 -1.26 0.37 116.67 119.99 2q4r s ASP 48 Ca 0.67 0.81 -0.09 0.00 1.18 0.00 0.00 52.55 55.13 2q4r s ASP 48 Cb -0.05 -1.44 0.25 0.00 -0.34 0.00 0.00 42.92 41.34 2q4r s ASP 48 CO 0.45 -1.66 1.81 0.15 0.68 0.00 0.00 175.17 176.61 2q4r h PHE 49 N -0.82 0.70 -0.50 2.11 3.57 -1.98 -1.71 116.94 118.31 2q4r h PHE 49 Ca -0.45 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.15 2q4r h PHE 49 Cb 1.30 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.76 2q4r h PHE 49 CO 0.37 0.34 0.13 1.05 -2.23 0.00 0.00 178.31 177.97 2q4r h GLU 50 N 0.71 0.27 -0.68 1.11 4.11 -1.98 0.71 114.58 118.82 2q4r h GLU 50 Ca 0.30 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.69 2q4r h GLU 50 Cb 0.18 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2q4r h GLU 50 CO -0.18 0.18 0.32 -0.22 0.07 0.00 0.00 179.01 179.18 2q4r h LYS 51 N 0.28 0.98 -0.54 1.06 1.63 -1.80 -0.63 116.57 117.55 2q4r h LYS 51 Ca 0.25 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2q4r h LYS 51 Cb 0.31 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2q4r h LYS 51 CO -0.30 0.79 0.14 0.28 -3.45 0.00 0.00 179.45 176.91 2q4r h VAL 52 N 0.95 1.24 -0.77 2.00 2.07 -0.29 -1.95 116.25 119.50 2q4r h VAL 52 Ca 0.23 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.95 2q4r h VAL 52 Cb 0.13 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2q4r h VAL 52 CO -0.03 0.31 0.46 1.56 0.02 0.00 0.00 177.57 179.90 2q4r h GLN 53 N 0.76 0.83 -0.90 1.57 4.20 0.90 0.38 115.11 122.86 2q4r h GLN 53 Ca 0.17 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.86 2q4r h GLN 53 Cb 0.33 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 2q4r h GLN 53 CO 0.00 0.55 0.58 0.93 -0.67 0.00 0.00 178.83 180.22 2q4r h GLU 54 N 0.86 1.12 0.18 1.46 5.08 -0.60 1.08 114.58 123.75 2q4r h GLU 54 Ca 0.33 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.38 2q4r h GLU 54 Cb 0.15 -0.25 0.03 0.00 0.50 0.00 0.00 28.75 29.18 2q4r h GLU 54 CO -0.17 0.74 -1.06 1.96 -1.00 0.00 0.00 179.01 179.48 2q4r h GLN 55 N 1.15 0.41 -0.01 2.33 4.20 -0.56 -3.36 115.11 119.27 2q4r h GLN 55 Ca 0.35 -0.68 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2q4r h GLN 55 Cb -0.04 0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2q4r h GLN 55 CO -0.11 1.32 -0.11 1.28 -0.67 0.00 0.00 178.83 180.54 2q4r n LEU 56 N -3.97 1.91 0.00 1.46 4.77 0.13 0.36 117.00 121.65 2q4r n LEU 56 Ca -0.15 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 2q4r n LEU 56 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2q4r n LEU 56 CO 0.53 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2q4r n GLY 57 N 0.90 2.52 0.19 -0.72 0.00 0.37 -4.59 105.19 103.86 2q4r n GLY 57 Ca 0.07 -1.99 0.08 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.45 1.61 2.35 -1.92 -3.11 115.58 114.06 2q4r h ASN 58 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2q4r h ASN 58 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2q4r h ASN 58 CO 0.00 0.24 0.02 -0.90 -1.65 0.00 0.00 177.43 175.14 2q4r n ASP 59 N -3.17 4.57 -0.32 5.81 5.75 -1.26 -4.62 116.55 123.30 2q4r n ASP 59 Ca 0.03 -2.73 0.21 0.00 -0.01 0.00 0.00 54.79 52.28 2q4r n ASP 59 Cb 0.61 -0.65 0.42 0.00 -1.03 0.00 0.00 41.12 40.47 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 2.94 0.23 0.00 2.12 3.04 -1.79 0.57 116.25 123.35 2q4r h VAL 60 Ca 0.02 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2q4r h VAL 60 Cb 1.67 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 2q4r h VAL 60 CO 0.40 0.04 0.00 1.33 -1.01 0.00 0.00 177.57 178.33 2q4r n VAL 61 N -5.18 0.00 -0.05 1.51 0.24 -1.26 -2.10 118.33 111.49 2q4r n VAL 61 Ca 0.29 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.56 2q4r n VAL 61 Cb 0.92 -0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 32.40 2q4r n VAL 61 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2q4r n GLU 62 N -0.96 1.48 0.06 7.34 1.02 0.20 -2.99 120.64 126.78 2q4r n GLU 62 Ca 0.08 -0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 2q4r n GLU 62 Cb 0.04 -1.33 0.22 0.00 -0.02 0.00 0.00 31.44 30.34 2q4r n GLU 62 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2q4r n LYS 63 N -2.35 0.25 -4.46 3.49 5.02 -0.89 -4.87 118.16 114.35 2q4r n LYS 63 Ca -0.16 0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 55.99 2q4r n LYS 63 Cb 0.77 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.97 2q4r n LYS 63 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2q4r s TYR 64 N -3.14 1.52 0.12 2.13 2.02 -1.10 -4.86 117.35 114.03 2q4r s TYR 64 Ca 0.07 -0.37 0.14 0.00 -0.37 0.00 0.00 57.07 56.54 2q4r s TYR 64 Cb 0.14 -0.89 0.31 0.00 -0.40 0.00 0.00 41.96 41.12 2q4r s TYR 64 CO 0.70 0.08 1.56 -0.44 -1.57 0.00 0.00 175.55 175.88 2q4r h ASP 65 N 4.80 0.00 -3.97 2.29 3.32 -1.46 -3.41 116.42 117.99 2q4r h ASP 65 Ca -0.41 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.33 2q4r h ASP 65 Cb 1.17 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.45 2q4r h ASP 65 CO 0.43 0.57 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.47 2q4r s TYR 66 N -3.31 0.43 -0.07 4.55 2.02 -1.06 -0.99 117.35 118.92 2q4r s TYR 66 Ca 0.01 -0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2q4r s TYR 66 Cb 0.10 -0.28 0.03 0.00 -0.40 0.00 0.00 41.96 41.42 2q4r s TYR 66 CO 0.74 -0.02 -0.01 0.08 -1.57 0.00 0.00 175.55 174.78 2q4r s VAL 67 N -0.23 0.44 -0.51 0.71 1.01 -0.99 -1.12 120.40 119.71 2q4r s VAL 67 Ca 0.01 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2q4r s VAL 67 Cb -0.03 -0.57 0.15 0.00 0.00 0.00 0.00 36.38 35.93 2q4r s VAL 67 CO -0.00 0.27 0.33 -0.36 0.00 0.00 0.00 175.10 175.33 2q4r s PHE 68 N 1.86 2.26 0.57 5.22 0.08 0.35 -1.49 117.98 126.84 2q4r s PHE 68 Ca 0.04 -2.68 -0.06 0.00 0.12 0.00 0.00 56.93 54.35 2q4r s PHE 68 Cb -0.12 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2q4r s PHE 68 CO -0.05 -0.73 0.89 -2.14 -0.10 0.00 0.00 175.22 173.09 2q4r s PRO 69 N -0.22 3.01 -1.35 0.24 0.02 -1.12 -0.70 135.00 134.88 2q4r s PRO 69 Ca 0.23 0.03 -0.09 0.00 0.02 0.00 0.00 61.00 61.18 2q4r s PRO 69 Cb -0.13 -2.29 0.07 0.00 0.02 0.00 0.00 34.50 32.17 2q4r s PRO 69 CO -0.09 -0.63 0.54 0.39 -0.33 0.00 0.00 177.00 176.89 2q4r n GLU 70 N -2.54 -3.73 -3.21 5.54 1.02 0.16 -2.12 120.64 115.76 2q4r n GLU 70 Ca 0.04 0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 57.58 2q4r n GLU 70 Cb 0.57 -5.28 0.07 0.00 -0.02 0.00 0.00 31.44 26.78 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 -2.36 -5.62 0.00 1.62 3.02 -0.65 -2.40 115.26 108.86 2q4r n ASN 71 Ca -0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 2q4r n ASN 71 Cb 0.55 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 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 -1.22 0.00 0.02 7.41 0.00 -0.90 -4.14 105.19 106.36 2q4r n GLY 72 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 0.07 -3.77 0.99 4.77 -1.01 -3.84 117.00 114.21 2q4r n LEU 73 Ca 0.00 0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 56.31 2q4r n LEU 73 Cb 0.00 -0.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.38 2q4r n LEU 73 CO 0.00 -0.51 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.49 2q4r s VAL 74 N -3.06 0.19 -0.04 4.08 1.01 -1.16 0.12 120.40 121.54 2q4r s VAL 74 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2q4r s VAL 74 Cb 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.07 2q4r s VAL 74 CO 0.07 0.20 0.09 0.00 0.00 0.00 0.00 175.10 175.46 2q4r s ALA 75 N 1.64 -0.18 -0.04 5.51 0.00 -0.21 -2.80 121.76 125.67 2q4r s ALA 75 Ca -0.01 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.34 2q4r s ALA 75 Cb -0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 2q4r s ALA 75 CO -0.03 -0.08 -0.16 0.71 0.00 0.00 0.00 175.76 176.20 2q4r s TYR 76 N 0.46 2.65 -0.08 0.00 2.02 -0.56 0.60 117.35 122.45 2q4r s TYR 76 Ca -0.03 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 2q4r s TYR 76 Cb -0.05 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2q4r s TYR 76 CO -0.02 0.16 -0.07 0.21 -1.57 0.00 0.00 175.55 174.26 2q4r s LYS 77 N -0.74 1.36 -1.06 -0.62 2.20 0.79 -2.35 119.74 119.32 2q4r s LYS 77 Ca 0.11 -0.23 -0.16 0.00 -0.36 0.00 0.00 55.97 55.33 2q4r s LYS 77 Cb -0.11 -1.35 -0.01 0.00 -1.51 0.00 0.00 37.83 34.86 2q4r s LYS 77 CO 0.00 -0.16 0.78 -0.25 -0.36 0.00 0.00 175.35 175.36 2q4r n ASP 78 N 4.51 -5.64 0.00 1.43 10.43 -0.16 -0.45 116.55 126.68 2q4r n ASP 78 Ca -0.17 -0.90 0.00 0.00 2.57 0.00 0.00 54.79 56.29 2q4r n ASP 78 Cb 0.51 -3.52 0.00 0.00 1.84 0.00 0.00 41.12 39.94 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 -1.66 0.00 3.38 0.44 0.00 -1.16 -4.89 105.19 101.30 2q4r n GLY 79 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2q4r n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2q4r s LYS 80 N -0.85 3.45 -0.08 1.61 2.20 0.40 -4.96 119.74 121.52 2q4r s LYS 80 Ca 0.00 -0.62 -0.36 0.00 -0.36 0.00 0.00 55.97 54.62 2q4r s LYS 80 Cb 0.00 -2.82 -0.14 0.00 -1.51 0.00 0.00 37.83 33.36 2q4r s LYS 80 CO 0.00 0.09 1.72 -0.11 -0.36 0.00 0.00 175.35 176.68 2q4r n LEU 81 N 3.94 2.82 -0.07 5.43 0.00 -1.26 -0.15 117.00 127.71 2q4r n LEU 81 Ca -0.18 1.04 -0.08 0.00 0.00 0.00 0.00 56.01 56.80 2q4r n LEU 81 Cb 0.52 -1.29 -0.03 0.00 0.00 0.00 0.00 43.42 42.63 2q4r n LEU 81 CO 0.31 -0.34 -0.58 -0.11 0.00 0.00 0.00 177.39 176.66 2q4r n LEU 82 N 5.16 1.72 -4.12 -1.96 7.94 0.20 -4.83 117.00 121.11 2q4r n LEU 82 Ca 0.22 0.29 -0.08 0.00 -1.11 0.00 0.00 56.01 55.33 2q4r n LEU 82 Cb 0.23 -0.69 -0.10 0.00 0.53 0.00 0.00 43.42 43.39 2q4r n LEU 82 CO 0.72 -0.32 -0.35 0.00 -1.11 0.00 0.00 177.39 176.34 2q4r n ARG 84 N 0.03 0.51 -3.62 0.00 1.74 -1.23 -1.05 116.66 113.04 2q4r n ARG 84 Ca -0.12 -2.45 -0.32 0.00 -0.77 0.00 0.00 57.85 54.20 2q4r n ARG 84 Cb 0.62 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 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 0.35 3.67 0.22 5.56 2.00 0.31 -4.97 119.66 126.81 2q4r s GLN 85 Ca 0.32 0.01 0.02 0.00 -2.00 0.00 0.00 55.36 53.71 2q4r s GLN 85 Cb 0.08 -2.84 -0.05 0.00 0.80 0.00 0.00 33.01 30.99 2q4r s GLN 85 CO -0.14 0.46 0.04 0.54 -0.50 0.00 0.00 175.29 175.69 2q4r s ASN 86 N -2.30 1.37 0.26 6.67 2.20 -1.26 -4.62 114.94 117.26 2q4r s ASN 86 Ca 0.40 -1.26 -0.02 0.00 -0.94 0.00 0.00 52.86 51.04 2q4r s ASN 86 Cb -0.12 0.10 0.34 0.00 -2.00 0.00 0.00 41.25 39.57 2q4r s ASN 86 CO 0.23 -0.61 1.79 -0.29 -2.94 0.00 0.00 177.10 175.28 2q4r h ILE 87 N 2.52 1.24 -0.26 0.54 2.10 0.28 -2.91 117.51 121.02 2q4r h ILE 87 Ca -0.38 -0.89 -0.02 0.00 1.08 0.00 0.00 64.86 64.65 2q4r h ILE 87 Cb 1.22 0.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 2q4r h ILE 87 CO 0.63 0.33 0.08 0.06 -1.08 0.00 0.00 178.15 178.16 2q4r h GLN 88 N 0.82 0.36 0.00 2.19 -0.00 -1.90 -1.90 115.11 114.67 2q4r h GLN 88 Ca 0.17 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.65 58.68 2q4r h GLN 88 Cb 0.35 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.75 2q4r h GLN 88 CO 0.01 0.32 -0.47 0.77 -0.00 0.00 0.00 178.83 179.46 2q4r h SER 89 N 0.36 0.00 0.00 0.06 0.02 -1.90 -2.72 113.55 109.38 2q4r h SER 89 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2q4r h SER 89 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2q4r h SER 89 CO -0.01 0.47 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.38 2q4r h HIS 90 N 0.00 0.00 -0.31 3.45 6.17 -1.35 -3.39 115.15 119.73 2q4r h HIS 90 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 2q4r h HIS 90 Cb 1.06 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.97 2q4r h HIS 90 CO 0.00 0.00 0.07 -0.07 0.71 0.00 0.00 177.93 178.64 2q4r h LEU 91 N -0.26 0.40 0.00 0.26 3.38 -1.60 -3.49 115.31 114.00 2q4r h LEU 91 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2q4r h LEU 91 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2q4r h LEU 91 CO 0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2q4r n GLY 92 N -1.12 0.95 0.38 0.83 0.00 -1.02 -4.46 105.19 100.75 2q4r n GLY 92 Ca 0.01 -1.55 0.16 0.00 0.00 0.00 0.00 46.02 44.64 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 0.43 0.02 1.61 4.39 -1.95 -1.78 114.58 117.30 2q4r h GLU 93 Ca 0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2q4r h GLU 93 Cb 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2q4r h GLU 93 CO 0.00 0.29 -0.01 0.00 -1.16 0.00 0.00 179.01 178.13 2q4r h ALA 94 N 1.63 -0.02 -0.68 3.43 0.00 -1.96 -2.14 119.26 119.53 2q4r h ALA 94 Ca 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2q4r h ALA 94 Cb 0.89 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2q4r h ALA 94 CO -0.14 -0.37 0.26 1.25 0.00 0.00 0.00 179.25 180.26 2q4r h LEU 95 N -0.31 0.94 -0.25 0.00 5.85 -1.71 -1.55 115.31 118.29 2q4r h LEU 95 Ca -0.00 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2q4r h LEU 95 Cb 0.29 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2q4r h LEU 95 CO 0.00 0.86 -0.31 0.40 -0.34 0.00 0.00 178.44 179.05 2q4r h ILE 96 N 0.96 0.28 -0.07 4.05 1.08 -1.25 -0.44 117.51 122.12 2q4r h ILE 96 Ca 0.22 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.61 2q4r h ILE 96 Cb 0.22 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 2q4r h ILE 96 CO -0.02 0.00 -0.34 1.56 -0.69 0.00 0.00 178.15 178.66 2q4r h GLN 97 N -0.32 0.14 -0.52 2.37 4.20 -1.18 0.68 115.11 120.48 2q4r h GLN 97 Ca 0.13 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2q4r h GLN 97 Cb 0.53 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2q4r h GLN 97 CO -0.43 0.47 0.13 -0.44 -0.67 0.00 0.00 178.83 177.88 2q4r h ASP 98 N 0.12 0.78 -0.31 1.46 3.45 -0.38 0.22 116.42 121.77 2q4r h ASP 98 Ca 0.01 -0.23 -0.11 0.00 0.43 0.00 0.00 57.03 57.13 2q4r h ASP 98 Cb 0.66 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 2q4r h ASP 98 CO 0.05 0.81 -0.25 -0.07 -1.57 0.00 0.00 179.24 178.21 2q4r h LEU 99 N 0.72 0.75 0.37 1.55 3.38 -0.82 -2.11 115.31 119.15 2q4r h LEU 99 Ca 0.16 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2q4r h LEU 99 Cb 0.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2q4r h LEU 99 CO 0.00 1.04 -0.18 0.40 0.09 0.00 0.00 178.44 179.80 2q4r h ILE 100 N 0.47 0.64 -0.83 1.22 2.04 -0.67 -2.08 117.51 118.30 2q4r h ILE 100 Ca 0.06 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.81 2q4r h ILE 100 Cb 0.81 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2q4r h ILE 100 CO 0.06 0.03 0.52 0.78 0.00 0.00 0.00 178.15 179.54 2q4r h ASN 101 N -0.59 0.82 0.32 1.72 2.35 -0.61 -1.27 115.58 118.32 2q4r h ASN 101 Ca -0.05 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2q4r h ASN 101 Cb 0.43 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2q4r h ASN 101 CO 0.08 0.54 -0.18 0.22 -1.65 0.00 0.00 177.43 176.44 2q4r h TYR 102 N 0.96 -0.47 -1.00 1.19 3.20 -1.26 -2.12 116.97 117.47 2q4r h TYR 102 Ca 0.35 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.28 2q4r h TYR 102 Cb 0.12 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 2q4r h TYR 102 CO -0.03 -0.28 0.64 0.00 -1.64 0.00 0.00 178.16 176.84 2q4r h LEU 104 N 1.17 -0.41 -0.53 0.00 3.38 -0.89 -2.16 115.31 115.87 2q4r h LEU 104 Ca 0.43 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 2q4r h LEU 104 Cb 0.17 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2q4r h LEU 104 CO -0.17 -0.19 0.27 0.28 0.09 0.00 0.00 178.44 178.71 2q4r h SER 105 N -0.23 0.69 0.17 -0.43 0.02 -1.08 -2.94 113.55 109.75 2q4r h SER 105 Ca 0.05 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2q4r h SER 105 Cb 0.30 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2q4r h SER 105 CO -0.14 0.61 -0.28 0.22 -1.14 0.00 0.00 176.83 176.10 2q4r h TYR 106 N 0.72 -0.77 -0.99 3.45 3.20 -1.19 -2.54 116.97 118.85 2q4r h TYR 106 Ca 0.19 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.25 2q4r h TYR 106 Cb 0.10 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.59 2q4r h TYR 106 CO -0.01 -0.40 0.61 0.82 -1.64 0.00 0.00 178.16 177.55 2q4r h ILE 107 N -0.53 0.73 0.00 1.81 2.04 -1.34 0.45 117.51 120.67 2q4r h ILE 107 Ca 0.02 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2q4r h ILE 107 Cb 0.54 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2q4r h ILE 107 CO -0.13 0.13 -0.01 0.00 0.00 0.00 0.00 178.15 178.14 2q4r h ALA 108 N 1.63 1.58 0.00 1.87 0.00 -1.27 -2.16 119.26 120.91 2q4r h ALA 108 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2q4r h ALA 108 Cb 0.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2q4r h ALA 108 CO -0.34 0.01 -0.77 1.63 0.00 0.00 0.00 179.25 179.78 2q4r n LYS 109 N -3.94 0.06 -2.53 0.00 5.02 0.13 -4.90 118.16 112.00 2q4r n LYS 109 Ca -0.03 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 2q4r n LYS 109 Cb 0.09 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.04 4.43 -0.26 -0.18 1.01 -0.81 -4.99 121.20 117.35 2q4r s ILE 110 Ca 0.08 1.74 -0.25 0.00 0.00 0.00 0.00 60.65 62.23 2q4r s ILE 110 Cb 0.16 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 2q4r s ILE 110 CO 0.78 -0.06 0.83 -0.54 0.00 0.00 0.00 174.94 175.95 2q4r s LYS 111 N 2.61 4.13 0.17 2.79 -0.14 -1.26 -5.03 119.74 123.01 2q4r s LYS 111 Ca 0.52 0.87 0.03 0.00 -1.36 0.00 0.00 55.97 56.03 2q4r s LYS 111 Cb -0.21 -3.67 -0.05 0.00 -1.68 0.00 0.00 37.83 32.22 2q4r s LYS 111 CO 0.17 -0.58 -0.04 -0.51 -0.76 0.00 0.00 175.35 173.64 2q4r s LEU 112 N 2.91 2.30 0.40 3.17 1.43 -1.26 -5.03 118.68 122.61 2q4r s LEU 112 Ca 0.35 -1.12 0.26 0.00 -1.03 0.00 0.00 54.13 52.59 2q4r s LEU 112 Cb -0.15 -0.19 0.72 0.00 0.03 0.00 0.00 46.19 46.60 2q4r s LEU 112 CO 0.09 -0.47 1.74 1.55 0.23 0.00 0.00 176.35 179.48 2q4r h PRO 113 N 2.70 0.00 -2.76 1.29 0.13 -1.97 -3.46 132.00 127.93 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 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2q4r h PRO 113 CO 0.64 0.00 -0.00 0.15 -0.23 0.00 0.00 178.00 178.55 2q4r s LYS 114 N -3.30 0.98 -0.14 0.86 1.02 -1.26 -5.16 119.74 112.73 2q4r s LYS 114 Ca 0.06 -0.20 -0.13 0.00 0.02 0.00 0.00 55.97 55.72 2q4r s LYS 114 Cb 0.08 0.45 0.04 0.00 -0.52 0.00 0.00 37.83 37.87 2q4r s LYS 114 CO 0.60 -0.34 0.38 0.15 -0.92 0.00 0.00 175.35 175.22 2q4r s LYS 115 N -2.21 0.44 0.00 1.68 1.02 -1.26 -4.73 119.74 114.68 2q4r s LYS 115 Ca -0.07 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.46 2q4r s LYS 115 Cb -0.01 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2q4r s LYS 115 CO 0.00 -0.06 0.00 0.54 -0.92 0.00 0.00 175.35 174.91 2q4r n ARG 116 N 2.95 0.00 -3.87 1.68 5.12 -0.06 -5.04 116.66 117.44 2q4r n ARG 116 Ca -0.14 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.69 2q4r n ARG 116 Cb 0.57 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.83 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 0.00 0.18 -0.59 -0.13 0.00 -1.26 -4.96 107.32 100.56 2q4r s GLY 117 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 2q4r s GLY 117 CO 0.00 -0.42 0.51 2.41 0.00 0.00 0.00 173.10 175.60 2q4r n THR 118 N -0.36 -5.19 0.33 0.90 -1.04 -1.26 -1.99 114.28 105.68 2q4r n THR 118 Ca -0.06 -0.68 0.13 0.00 -2.04 0.00 0.00 64.05 61.40 2q4r n THR 118 Cb 0.62 -4.79 0.28 0.00 -1.82 0.00 0.00 70.33 64.62 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 -0.66 0.00 -3.10 -1.42 0.04 -1.92 -1.73 116.94 108.15 2q4r h PHE 119 Ca -0.33 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.10 2q4r h PHE 119 Cb 1.17 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.95 2q4r h PHE 119 CO 0.18 0.00 -0.67 0.42 -0.60 0.00 0.00 178.31 177.63 2q4r s ILE 120 N -3.23 -0.21 -0.23 -0.55 1.01 -1.26 -1.38 121.20 115.35 2q4r s ILE 120 Ca 0.07 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.97 2q4r s ILE 120 Cb 0.07 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2q4r s ILE 120 CO 0.63 0.09 -0.03 -0.70 0.00 0.00 0.00 174.94 174.93 2q4r s GLU 121 N 2.25 3.33 -0.15 2.79 2.12 0.51 -4.97 118.70 124.58 2q4r s GLU 121 Ca 0.04 -0.66 -0.23 0.00 0.36 0.00 0.00 54.97 54.48 2q4r s GLU 121 Cb -0.13 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 2q4r s GLU 121 CO -0.06 -0.23 0.71 0.12 -0.54 0.00 0.00 175.26 175.26 2q4r s PHE 122 N 1.48 3.45 0.17 5.30 5.36 -1.26 -0.75 117.98 131.73 2q4r s PHE 122 Ca 0.05 1.12 0.09 0.00 -0.96 0.00 0.00 56.93 57.24 2q4r s PHE 122 Cb -0.15 -2.86 -0.04 0.00 -0.34 0.00 0.00 43.02 39.63 2q4r s PHE 122 CO -0.02 -0.11 -0.20 1.03 -1.46 0.00 0.00 175.22 174.46 2q4r s ARG 123 N 1.64 1.33 0.45 10.12 0.52 -1.26 -5.00 118.95 126.75 2q4r s ARG 123 Ca 0.34 -1.43 0.15 0.00 -0.52 0.00 0.00 55.73 54.27 2q4r s ARG 123 Cb -0.17 -1.46 1.08 0.00 0.52 0.00 0.00 34.95 34.92 2q4r s ARG 123 CO 0.13 0.30 1.98 -0.91 0.02 0.00 0.00 175.30 176.83 2q4r h ASN 124 N 3.26 0.31 -0.41 0.23 2.35 -1.97 -3.43 115.58 115.93 2q4r h ASN 124 Ca -0.43 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2q4r h ASN 124 Cb 1.21 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.52 2q4r h ASN 124 CO 0.50 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 177.07 2q4r n GLY 125 N -1.53 2.75 3.30 2.83 0.00 -1.26 0.24 105.19 111.51 2q4r n GLY 125 Ca 0.10 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.03 2.64 -0.28 0.99 1.43 0.27 -4.57 118.68 118.14 2q4r s LEU 127 Ca 0.28 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 2q4r s LEU 127 Cb 0.15 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 2q4r s LEU 127 CO 0.18 0.08 0.10 0.21 0.23 0.00 0.00 176.35 177.15 2q4r s ASN 128 N 0.85 5.25 -0.08 2.29 3.84 0.07 -0.99 114.94 126.17 2q4r s ASN 128 Ca -0.04 -0.43 -0.03 0.00 0.21 0.00 0.00 52.86 52.57 2q4r s ASN 128 Cb -0.15 -1.93 -0.04 0.00 -0.55 0.00 0.00 41.25 38.58 2q4r s ASN 128 CO 0.00 -0.12 0.06 -0.69 -2.79 0.00 0.00 177.10 173.56 2q4r s VAL 129 N 1.58 4.79 -0.16 -5.21 1.01 0.04 -0.36 120.40 122.10 2q4r s VAL 129 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 2q4r s VAL 129 Cb -0.16 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.21 2q4r s VAL 129 CO 0.04 0.55 0.19 -0.55 0.00 0.00 0.00 175.10 175.33 2q4r s SER 130 N -1.13 1.19 0.39 3.32 0.15 -0.48 -0.67 113.70 116.47 2q4r s SER 130 Ca 0.16 -0.02 0.08 0.00 0.70 0.00 0.00 55.95 56.87 2q4r s SER 130 Cb -0.12 0.32 0.84 0.00 -1.71 0.00 0.00 66.02 65.35 2q4r s SER 130 CO 0.06 -0.30 1.99 -0.65 1.20 0.00 0.00 173.24 175.54 2q4r h PRO 131 N 8.34 0.60 0.11 5.44 0.11 -1.84 -2.78 132.00 141.98 2q4r h PRO 131 Ca -0.15 -0.04 -0.30 0.00 0.11 0.00 0.00 66.00 65.62 2q4r h PRO 131 Cb 1.14 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2q4r h PRO 131 CO 0.23 0.40 -1.54 0.97 -0.21 0.00 0.00 178.00 177.85 2q4r h ILE 132 N 0.62 1.14 0.00 4.15 2.10 -1.85 -3.47 117.51 120.20 2q4r h ILE 132 Ca 0.26 -2.79 0.00 0.00 1.08 0.00 0.00 64.86 63.41 2q4r h ILE 132 Cb 0.25 2.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.72 2q4r h ILE 132 CO -0.08 0.81 0.00 0.61 -1.08 0.00 0.00 178.15 178.41 2q4r n GLY 133 N 1.67 3.00 0.02 8.18 0.00 -1.05 -0.89 105.19 116.13 2q4r n GLY 133 Ca -0.17 -1.28 0.03 0.00 0.00 0.00 0.00 46.02 44.61 2q4r n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4r n ARG 134 N 1.12 0.02 -0.02 1.61 1.74 -0.65 -1.99 116.66 118.50 2q4r n ARG 134 Ca 0.00 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.65 2q4r n ARG 134 Cb 0.00 -1.56 0.47 0.00 -1.02 0.00 0.00 32.46 30.35 2q4r n ARG 134 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2q4r n SER 135 N -1.60 1.66 -4.65 0.55 3.41 -0.86 -4.93 113.62 107.19 2q4r n SER 135 Ca 0.01 -1.58 -0.33 0.00 -0.26 0.00 0.00 58.87 56.71 2q4r n SER 135 Cb 0.06 -0.02 0.13 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.15 4.18 0.26 0.00 1.04 -1.26 -4.80 113.70 110.97 2q4r s SER 137 Ca 0.71 0.87 -0.04 0.00 0.48 0.00 0.00 55.95 57.97 2q4r s SER 137 Cb -0.28 -1.41 0.36 0.00 0.10 0.00 0.00 66.02 64.79 2q4r s SER 137 CO 0.54 -2.12 1.88 -0.61 0.98 0.00 0.00 173.24 173.90 2q4r h GLN 138 N -1.20 1.10 -0.35 4.02 -0.00 -1.99 0.76 115.11 117.45 2q4r h GLN 138 Ca -0.48 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.65 57.98 2q4r h GLN 138 Cb 1.33 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 28.55 2q4r h GLN 138 CO 0.64 0.73 -0.30 0.93 0.00 0.00 0.00 178.83 180.83 2q4r h GLU 139 N 1.14 0.75 -0.73 1.69 3.07 -2.00 -2.26 114.58 116.24 2q4r h GLU 139 Ca 0.40 -0.34 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2q4r h GLU 139 Cb 0.12 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 2q4r h GLU 139 CO -0.16 0.96 0.23 0.93 -1.40 0.00 0.00 179.01 179.56 2q4r h GLU 140 N 0.64 1.13 -0.09 2.33 5.08 -1.63 -2.13 114.58 119.91 2q4r h GLU 140 Ca 0.07 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2q4r h GLU 140 Cb 0.83 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2q4r h GLU 140 CO 0.07 0.97 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.78 2q4r h ARG 141 N 1.08 0.14 0.60 2.33 2.43 -0.63 -2.32 114.38 118.01 2q4r h ARG 141 Ca 0.23 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2q4r h ARG 141 Cb 0.31 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2q4r h ARG 141 CO -0.01 0.32 -0.29 0.82 -1.51 0.00 0.00 179.97 179.31 2q4r h ILE 142 N 0.13 0.34 -0.27 1.20 1.08 -0.80 -0.76 117.51 118.43 2q4r h ILE 142 Ca 0.02 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.33 2q4r h ILE 142 Cb 0.40 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 2q4r h ILE 142 CO 0.03 0.03 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.32 2q4r h GLU 143 N -0.97 -0.08 -0.64 2.37 4.81 -1.36 -0.04 114.58 118.68 2q4r h GLU 143 Ca -0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2q4r h GLU 143 Cb 0.67 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2q4r h GLU 143 CO 0.14 -0.05 0.24 0.35 -0.73 0.00 0.00 179.01 178.95 2q4r h PHE 144 N -0.08 0.95 -0.78 0.92 3.57 -1.45 -1.16 116.94 118.91 2q4r h PHE 144 Ca 0.14 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2q4r h PHE 144 Cb 0.29 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2q4r h PHE 144 CO -0.31 0.74 0.43 -0.92 -2.23 0.00 0.00 178.31 176.02 2q4r h TYR 145 N 0.92 1.06 -0.29 0.41 3.20 0.08 0.33 116.97 122.68 2q4r h TYR 145 Ca 0.21 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 2q4r h TYR 145 Cb 0.20 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2q4r h TYR 145 CO 0.01 0.73 -0.44 1.05 -1.64 0.00 0.00 178.16 177.88 2q4r h GLU 146 N 1.07 0.74 -0.35 1.82 4.11 -0.61 -2.14 114.58 119.22 2q4r h GLU 146 Ca 0.27 -0.41 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 2q4r h GLU 146 Cb 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2q4r h GLU 146 CO -0.05 1.03 0.11 1.25 0.07 0.00 0.00 179.01 181.42 2q4r h LEU 147 N 0.60 0.51 -0.29 3.06 5.85 -0.77 -2.33 115.31 121.93 2q4r h LEU 147 Ca 0.04 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2q4r h LEU 147 Cb 1.00 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2q4r h LEU 147 CO 0.09 0.57 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.98 2q4r h ASP 148 N 0.41 -0.13 0.14 1.25 3.58 -0.19 0.81 116.42 122.29 2q4r h ASP 148 Ca 0.11 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 2q4r h ASP 148 Cb 0.25 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 2q4r h ASP 148 CO -0.00 -0.03 -0.05 0.11 -2.88 0.00 0.00 179.24 176.39 2q4r h LYS 149 N 0.08 0.00 0.00 0.28 1.57 -1.26 0.86 116.57 118.09 2q4r h LYS 149 Ca 0.14 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 2q4r h LYS 149 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2q4r h LYS 149 CO -0.24 0.05 -0.73 -0.22 -0.57 0.00 0.00 179.45 177.74 2q4r h LYS 150 N 0.00 0.00 0.00 3.15 3.64 -0.34 -3.40 116.57 119.62 2q4r h LYS 150 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2q4r h LYS 150 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2q4r h LYS 150 CO 0.01 0.95 -0.92 0.39 -2.27 0.00 0.00 179.45 177.60 2q4r n GLU 151 N -4.51 0.37 -3.41 1.90 -0.58 0.26 -5.00 120.64 109.67 2q4r n GLU 151 Ca -0.22 0.05 -0.18 0.00 -0.42 0.00 0.00 57.16 56.38 2q4r n GLU 151 Cb 0.58 -1.67 0.07 0.00 -0.57 0.00 0.00 31.44 29.84 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 -2.18 -4.48 -0.03 1.62 4.13 0.30 -4.95 115.26 109.67 2q4r n ASN 152 Ca 0.02 -0.74 -0.14 0.00 1.68 0.00 0.00 54.58 55.40 2q4r n ASN 152 Cb 0.47 -4.81 -0.11 0.00 -1.54 0.00 0.00 39.78 33.79 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 -1.51 1.51 -0.86 2.41 1.08 -1.87 -3.06 117.51 115.20 2q4r h ILE 153 Ca -0.61 -1.61 -0.03 0.00 -0.39 0.00 0.00 64.86 62.22 2q4r h ILE 153 Cb 1.33 2.54 -0.04 0.00 -3.07 0.00 0.00 36.82 37.58 2q4r h ILE 153 CO 0.48 0.43 0.41 0.03 -0.69 0.00 0.00 178.15 178.81 2q4r h ARG 154 N -0.54 1.24 -0.22 2.37 3.08 -1.92 -2.06 114.38 116.32 2q4r h ARG 154 Ca -0.01 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 2q4r h ARG 154 Cb 0.74 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2q4r h ARG 154 CO 0.02 0.95 -0.42 0.37 -1.07 0.00 0.00 179.97 179.82 2q4r h GLN 155 N 1.23 0.53 -0.22 0.04 4.15 -1.96 -0.01 115.11 118.86 2q4r h GLN 155 Ca 0.30 -0.27 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 2q4r h GLN 155 Cb 0.12 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2q4r h GLN 155 CO -0.04 0.86 -0.36 -0.22 -1.93 0.00 0.00 178.83 177.14 2q4r h LYS 156 N 0.44 0.49 0.00 1.69 3.64 -1.41 -0.83 116.57 120.59 2q4r h LYS 156 Ca 0.04 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 2q4r h LYS 156 Cb 0.91 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2q4r h LYS 156 CO 0.08 0.78 -0.40 0.35 -2.27 0.00 0.00 179.45 177.99 2q4r h PHE 157 N 0.41 0.40 0.00 1.91 3.57 -1.24 -0.12 116.94 121.87 2q4r h PHE 157 Ca 0.04 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.33 2q4r h PHE 157 Cb 0.82 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2q4r h PHE 157 CO 0.03 1.03 0.00 0.28 -2.23 0.00 0.00 178.31 177.42 2q4r n VAL 158 N -4.38 1.13 -0.07 1.41 0.31 -0.03 -0.78 118.33 115.92 2q4r n VAL 158 Ca -0.10 0.52 -0.22 0.00 -0.01 0.00 0.00 64.34 64.53 2q4r n VAL 158 Cb 0.58 -1.48 -0.12 0.00 -0.91 0.00 0.00 33.84 31.91 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 -1.71 0.98 -0.06 3.52 0.00 -0.32 -3.26 120.51 119.65 2q4r n ALA 159 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 53.44 52.72 2q4r n ALA 159 Cb 0.09 -0.45 0.25 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.40 0.63 -0.14 0.00 3.32 -0.08 -2.72 116.42 117.02 2q4r h ASP 160 Ca -0.46 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.41 2q4r h ASP 160 Cb 1.74 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 41.13 2q4r h ASP 160 CO -0.10 0.66 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.84 2q4r h LEU 161 N 0.65 0.39 -1.56 1.55 3.38 -1.14 -1.64 115.31 116.94 2q4r h LEU 161 Ca 0.14 -0.51 0.24 0.00 0.09 0.00 0.00 57.88 57.84 2q4r h LEU 161 Cb 0.31 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2q4r h LEU 161 CO 0.00 0.82 0.65 -0.09 0.09 0.00 0.00 178.44 179.91 2q4r h ARG 162 N -0.03 0.31 0.00 1.13 2.43 -1.48 0.45 114.38 117.20 2q4r h ARG 162 Ca 0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2q4r h ARG 162 Cb 0.73 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2q4r h ARG 162 CO 0.04 0.21 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.47 2q4r h LYS 163 N 0.32 0.00 -0.94 0.20 3.64 -1.37 -2.17 116.57 116.26 2q4r h LYS 163 Ca 0.51 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 60.14 2q4r h LYS 163 Cb 1.43 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.19 2q4r h LYS 163 CO -0.18 0.71 0.64 1.49 -2.27 0.00 0.00 179.45 179.84 2q4r h GLU 164 N -1.00 0.22 0.00 1.90 4.57 -0.41 -1.65 114.58 118.21 2q4r h GLU 164 Ca -0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2q4r h GLU 164 Cb 0.71 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2q4r h GLU 164 CO -0.00 0.14 -0.38 1.19 -1.18 0.00 0.00 179.01 178.78 2q4r n PHE 165 N -4.42 0.00 -1.68 0.92 3.72 0.07 -5.04 117.46 111.02 2q4r n PHE 165 Ca 0.20 -1.37 -0.44 0.00 -0.05 0.00 0.00 57.45 55.79 2q4r n PHE 165 Cb 0.86 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 39.14 2q4r n PHE 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2q4r n ALA 166 N -1.19 1.69 -0.01 4.37 0.00 -0.62 -2.33 120.51 122.42 2q4r n ALA 166 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2q4r n ALA 166 Cb 0.68 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2q4r n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q4r n GLY 167 N 4.20 0.74 1.40 0.00 0.00 -1.26 -4.97 105.19 105.30 2q4r n GLY 167 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.00 3.34 -3.42 1.61 4.76 -0.98 -4.91 118.16 116.55 2q4r n LYS 168 Ca 0.00 -2.40 -0.22 0.00 -2.87 0.00 0.00 58.31 52.82 2q4r n LYS 168 Cb 0.00 -1.81 0.07 0.00 -1.84 0.00 0.00 35.03 31.44 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 0.98 -0.47 3.55 0.72 0.00 -1.26 -4.91 105.19 103.79 2q4r n GLY 169 Ca 0.22 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.86 3.11 -0.03 0.99 1.43 -1.26 0.32 118.68 116.39 2q4r s LEU 170 Ca 0.50 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 2q4r s LEU 170 Cb -0.22 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2q4r s LEU 170 CO 0.62 0.32 -0.16 -0.89 0.23 0.00 0.00 176.35 176.47 2q4r s THR 171 N -0.55 2.95 0.36 5.49 2.01 0.14 -4.80 115.64 121.24 2q4r s THR 171 Ca 0.08 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.30 2q4r s THR 171 Cb -0.12 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2q4r s THR 171 CO 0.02 0.53 0.27 -0.36 -0.69 0.00 0.00 174.62 174.38 2q4r s PHE 172 N -0.78 2.80 -0.30 4.92 0.08 -1.26 -1.61 117.98 121.84 2q4r s PHE 172 Ca 0.12 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 2q4r s PHE 172 Cb -0.11 -1.84 0.16 0.00 -0.57 0.00 0.00 43.02 40.67 2q4r s PHE 172 CO 0.02 0.16 0.85 0.45 -0.10 0.00 0.00 175.22 176.60 2q4r s SER 173 N -3.98 -0.83 -0.20 1.36 0.15 -0.65 -4.96 113.70 104.59 2q4r s SER 173 Ca 0.41 0.95 -0.15 0.00 0.70 0.00 0.00 55.95 57.86 2q4r s SER 173 Cb -0.04 1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 66.10 2q4r s SER 173 CO 0.26 -0.16 0.37 -0.63 1.20 0.00 0.00 173.24 174.27 2q4r s ILE 174 N 2.70 5.22 0.24 6.45 1.01 -1.26 0.38 121.20 135.94 2q4r s ILE 174 Ca 0.00 0.64 -0.13 0.00 0.00 0.00 0.00 60.65 61.16 2q4r s ILE 174 Cb -0.09 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 2q4r s ILE 174 CO -0.18 0.27 0.47 -0.83 0.00 0.00 0.00 174.94 174.67 2q4r s GLY 175 N 1.02 0.52 0.00 6.18 0.00 -1.19 -5.01 107.32 108.85 2q4r s GLY 175 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2q4r s GLY 175 CO 0.07 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.15 2q4r n GLY 176 N -0.37 0.75 0.05 0.20 0.00 -1.26 -4.08 105.19 100.48 2q4r n GLY 176 Ca -0.02 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.83 -0.06 1.61 6.02 -1.26 -4.80 117.38 119.73 2q4r n GLN 177 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2q4r n GLN 177 Cb 0.00 -1.46 0.01 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 -2.43 0.31 -3.67 5.09 -0.00 -1.26 -4.45 119.36 112.94 2q4r n ILE 178 Ca -0.17 -0.33 -0.10 0.00 -0.00 0.00 0.00 62.75 62.15 2q4r n ILE 178 Cb 0.81 0.78 -0.04 0.00 -0.00 0.00 0.00 39.64 41.19 2q4r n ILE 178 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2q4r s SER 179 N -0.47 -0.26 0.27 7.28 1.04 -1.26 -3.97 113.70 116.34 2q4r s SER 179 Ca 0.01 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.10 2q4r s SER 179 Cb 0.01 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 2q4r s SER 179 CO 0.00 -0.95 0.01 0.72 0.98 0.00 0.00 173.24 174.01 2q4r s PHE 180 N -3.84 1.76 0.21 5.02 -0.12 0.15 -3.14 117.98 118.03 2q4r s PHE 180 Ca 0.06 -0.92 0.10 0.00 -0.05 0.00 0.00 56.93 56.13 2q4r s PHE 180 Cb 0.00 -1.06 -0.04 0.00 -0.63 0.00 0.00 43.02 41.29 2q4r s PHE 180 CO -0.08 0.01 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.44 2q4r s ASP 181 N -3.39 3.90 -0.09 1.98 1.01 0.16 -0.78 116.67 119.47 2q4r s ASP 181 Ca 0.32 -0.77 -0.02 0.00 0.71 0.00 0.00 52.55 52.80 2q4r s ASP 181 Cb 0.07 -0.51 0.03 0.00 1.01 0.00 0.00 42.92 43.52 2q4r s ASP 181 CO 0.12 0.08 0.02 -0.69 0.21 0.00 0.00 175.17 174.91 2q4r s VAL 182 N -1.93 0.32 0.13 -1.27 1.01 -0.16 -1.63 120.40 116.87 2q4r s VAL 182 Ca 0.25 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 2q4r s VAL 182 Cb -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2q4r s VAL 182 CO 0.14 0.15 0.28 0.72 0.00 0.00 0.00 175.10 176.39 2q4r s PHE 183 N 1.98 0.21 0.55 5.22 -0.12 -0.63 -0.56 117.98 124.63 2q4r s PHE 183 Ca 0.04 -0.59 -0.20 0.00 -0.05 0.00 0.00 56.93 56.13 2q4r s PHE 183 Cb -0.13 0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 2q4r s PHE 183 CO -0.06 -0.66 1.21 -2.14 -0.05 0.00 0.00 175.22 173.52 2q4r s PRO 184 N -3.90 3.21 0.16 1.99 0.02 -1.26 0.27 135.00 135.48 2q4r s PRO 184 Ca 0.10 1.84 -0.34 0.00 0.02 0.00 0.00 61.00 62.62 2q4r s PRO 184 Cb 0.03 -2.08 -0.14 0.00 0.02 0.00 0.00 34.50 32.33 2q4r s PRO 184 CO -0.06 -1.02 1.50 -0.25 -0.33 0.00 0.00 177.00 176.85 2q4r n ASP 185 N -1.25 2.75 0.00 2.53 8.00 0.15 -1.58 116.55 127.15 2q4r n ASP 185 Ca 0.12 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.71 2q4r n ASP 185 Cb 0.49 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 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 3.06 0.66 0.00 0.44 0.00 -1.26 -4.89 105.19 103.20 2q4r n GLY 186 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.33 0.00 -0.54 1.61 7.02 -0.62 -2.39 117.44 120.20 2q4r n TRP 187 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2q4r n TRP 187 Cb 0.03 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 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 -0.66 -0.64 -0.02 -0.99 5.75 -1.26 -4.69 116.55 114.03 2q4r n ASP 188 Ca 0.05 -0.54 0.24 0.00 -0.01 0.00 0.00 54.79 54.53 2q4r n ASP 188 Cb 0.02 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 40.83 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 -1.02 0.11 1.57 -1.89 -1.29 116.57 114.05 2q4r h LYS 189 Ca 0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 2q4r h LYS 189 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 2q4r h LYS 189 CO 0.00 0.00 0.64 0.00 -0.57 0.00 0.00 179.45 179.52 2q4r h ARG 190 N 0.00 0.46 -1.04 3.15 3.08 -1.88 0.40 114.38 118.55 2q4r h ARG 190 Ca 0.29 -0.03 0.30 0.00 0.07 0.00 0.00 59.98 60.62 2q4r h ARG 190 Cb 1.43 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.33 2q4r h ARG 190 CO -0.00 0.30 0.75 -0.92 -1.07 0.00 0.00 179.97 179.03 2q4r h TYR 191 N 0.47 0.04 -0.15 3.04 3.20 -0.86 0.12 116.97 122.84 2q4r h TYR 191 Ca 0.60 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.36 2q4r h TYR 191 Cb 1.38 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 2q4r h TYR 191 CO -0.00 0.01 -0.42 0.00 -1.64 0.00 0.00 178.16 176.10 2q4r h LEU 193 N 0.29 0.00 0.00 0.00 3.38 -0.84 -1.81 115.31 116.33 2q4r h LEU 193 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2q4r h LEU 193 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2q4r h LEU 193 CO 0.07 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.49 2q4r n ARG 194 N -3.68 0.34 0.00 1.13 1.85 -1.18 -1.25 116.66 113.88 2q4r n ARG 194 Ca 0.03 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.93 2q4r n ARG 194 Cb 0.41 -1.35 0.03 0.00 -1.05 0.00 0.00 32.46 30.49 2q4r n ARG 194 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2q4r n HIS 195 N -0.85 0.00 0.00 2.89 8.25 -0.68 -4.62 115.22 120.21 2q4r n HIS 195 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2q4r n HIS 195 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 0.29 0.00 -0.68 1.59 0.24 -0.38 -4.77 118.33 114.63 2q4r n VAL 196 Ca 0.05 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 2q4r n VAL 196 Cb 0.25 0.88 0.04 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.05 1.67 -0.27 7.34 0.28 -1.12 -3.86 120.64 123.64 2q4r n GLU 197 Ca 0.00 -1.35 0.00 0.00 -0.16 0.00 0.00 57.16 55.65 2q4r n GLU 197 Cb 0.00 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.34 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 0.37 0.00 -0.52 -1.84 3.02 -1.26 -4.88 115.26 110.14 2q4r n ASN 198 Ca 0.26 -1.13 0.05 0.00 -0.03 0.00 0.00 54.58 53.73 2q4r n ASN 198 Cb 0.64 -0.03 0.13 0.00 -0.61 0.00 0.00 39.78 39.92 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 2.78 -0.20 6.41 8.00 -1.25 -4.99 116.55 127.29 2q4r n ASP 199 Ca 0.00 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.47 2q4r n ASP 199 Cb 0.53 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.29 0.83 3.83 0.44 0.00 -1.26 -5.04 105.19 104.28 2q4r n GLY 200 Ca 0.10 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.40 3.66 -1.30 1.61 2.02 -1.26 -3.78 117.35 115.90 2q4r s TYR 201 Ca 0.00 1.14 0.12 0.00 -0.37 0.00 0.00 57.07 57.96 2q4r s TYR 201 Cb 0.00 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 39.18 2q4r s TYR 201 CO 0.00 0.47 0.79 1.63 -1.57 0.00 0.00 175.55 176.86 2q4r n LYS 202 N 1.04 1.45 -3.04 -0.62 4.01 0.31 -4.80 118.16 116.52 2q4r n LYS 202 Ca -0.06 -0.92 -0.01 0.00 -0.51 0.00 0.00 58.31 56.81 2q4r n LYS 202 Cb 0.51 -1.19 -0.00 0.00 -0.51 0.00 0.00 35.03 33.85 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 -1.33 -0.97 -1.26 -0.18 2.01 -1.26 -4.74 115.64 107.91 2q4r s THR 203 Ca 0.12 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 2q4r s THR 203 Cb 0.10 0.00 0.14 0.00 0.01 0.00 0.00 72.50 72.75 2q4r s THR 203 CO 0.24 0.00 1.61 -0.38 -0.69 0.00 0.00 174.62 175.40 2q4r n ILE 204 N 3.86 4.15 -1.19 1.82 5.41 -1.26 -3.19 119.36 128.97 2q4r n ILE 204 Ca 0.13 -4.44 -0.37 0.00 1.00 0.00 0.00 62.75 59.07 2q4r n ILE 204 Cb 0.57 -2.43 0.05 0.00 -0.71 0.00 0.00 39.64 37.12 2q4r n ILE 204 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2q4r n TYR 205 N 6.06 -1.99 -3.78 1.39 4.01 0.31 -4.79 117.16 118.37 2q4r n TYR 205 Ca 0.41 0.30 -0.14 0.00 -0.16 0.00 0.00 57.90 58.31 2q4r n TYR 205 Cb 0.42 -1.78 -0.15 0.00 -0.31 0.00 0.00 39.34 37.52 2q4r n TYR 205 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2q4r s PHE 206 N -1.97 -0.02 -0.12 -0.72 5.36 -1.26 -1.29 117.98 117.96 2q4r s PHE 206 Ca 0.59 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.77 2q4r s PHE 206 Cb -0.35 -0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.17 2q4r s PHE 206 CO 0.64 -0.10 -0.16 -0.06 -1.46 0.00 0.00 175.22 174.09 2q4r s PHE 207 N 0.96 2.10 -1.26 10.12 0.08 0.58 0.17 117.98 130.74 2q4r s PHE 207 Ca -0.08 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.93 2q4r s PHE 207 Cb -0.11 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 2q4r s PHE 207 CO -0.03 -0.54 0.00 0.41 -0.10 0.00 0.00 175.22 174.96 2q4r n GLY 208 N 4.33 -0.73 3.67 4.36 0.00 -0.56 -0.59 105.19 115.67 2q4r n GLY 208 Ca -0.19 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 6.09 0.00 1.61 -0.00 -1.26 -1.62 116.67 117.49 2q4r s ASP 209 Ca 0.00 0.13 0.27 0.00 -0.00 0.00 0.00 52.55 52.94 2q4r s ASP 209 Cb 0.00 -2.09 0.80 0.00 -0.00 0.00 0.00 42.92 41.63 2q4r s ASP 209 CO 0.00 0.09 1.61 2.29 -0.00 0.00 0.00 175.17 179.16 2q4r n LYS 210 N 4.10 0.34 -4.34 8.23 2.85 -1.26 -4.36 118.16 123.72 2q4r n LYS 210 Ca -0.15 -0.16 -0.17 0.00 -1.05 0.00 0.00 58.31 56.77 2q4r n LYS 210 Cb 0.52 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.30 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 -2.78 0.95 0.00 0.58 2.01 -1.26 -1.72 115.64 113.42 2q4r s THR 211 Ca 0.18 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 60.16 2q4r s THR 211 Cb 0.19 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2q4r s THR 211 CO 0.59 -0.23 0.00 -3.20 -0.69 0.00 0.00 174.62 171.09 2q4r n ASN 216 N -0.45 0.00 0.00 3.53 5.15 -1.26 -4.79 115.26 117.44 2q4r n ASN 216 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2q4r n ASN 216 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2q4r n ASP 217 N -0.28 0.00 -4.64 1.20 -0.08 -1.26 -5.14 116.55 106.36 2q4r n ASP 217 Ca 0.00 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 2q4r n ASP 217 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 2q4r n ASP 217 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2q4r s HIS 218 N -0.20 3.31 0.24 -0.67 3.76 -0.70 -4.98 115.29 116.04 2q4r s HIS 218 Ca 0.00 0.53 -0.04 0.00 -0.15 0.00 0.00 55.06 55.40 2q4r s HIS 218 Cb 0.00 -2.57 0.26 0.00 1.11 0.00 0.00 32.58 31.38 2q4r s HIS 218 CO 0.00 -0.14 1.73 0.93 -0.85 0.00 0.00 174.74 176.41 2q4r h GLU 219 N 7.78 0.88 -0.00 1.40 3.07 -1.93 -2.21 114.58 123.57 2q4r h GLU 219 Ca -0.33 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 2q4r h GLU 219 Cb 1.16 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2q4r h GLU 219 CO 0.69 0.87 0.00 0.97 -1.40 0.00 0.00 179.01 180.14 2q4r h ILE 220 N 0.82 0.96 0.78 3.13 2.10 -1.93 0.93 117.51 124.29 2q4r h ILE 220 Ca 0.16 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 66.06 2q4r h ILE 220 Cb 0.47 1.00 0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2q4r h ILE 220 CO 0.02 0.00 -0.37 0.15 -1.08 0.00 0.00 178.15 176.87 2q4r h PHE 221 N 0.00 -0.97 0.00 2.19 3.57 -1.74 -3.12 116.94 116.88 2q4r h PHE 221 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2q4r h PHE 221 Cb 0.01 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2q4r h PHE 221 CO 0.00 -0.59 0.00 1.79 -2.23 0.00 0.00 178.31 177.28 2q4r h THR 222 N -1.13 0.00 -2.21 4.41 1.35 -1.35 -3.17 112.91 110.81 2q4r h THR 222 Ca -0.11 -0.53 -0.61 0.00 -0.55 0.00 0.00 66.41 64.62 2q4r h THR 222 Cb 0.81 1.50 0.15 0.00 -1.73 0.00 0.00 68.15 68.89 2q4r h THR 222 CO 0.17 0.00 -0.58 -0.67 -0.25 0.00 0.00 175.52 174.19 2q4r n ASP 223 N -2.39 -1.57 0.02 5.36 -0.08 0.32 -4.92 116.55 113.28 2q4r n ASP 223 Ca 0.05 0.85 -0.19 0.00 -1.51 0.00 0.00 54.79 54.00 2q4r n ASP 223 Cb 0.42 -1.04 -0.10 0.00 2.34 0.00 0.00 41.12 42.74 2q4r n ASP 223 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2q4r h PRO 224 N 0.57 0.57 -1.90 -0.67 0.13 -1.89 -3.29 132.00 125.51 2q4r h PRO 224 Ca -0.40 -0.59 0.55 0.00 -0.87 0.00 0.00 66.00 64.70 2q4r h PRO 224 Cb 1.41 0.16 -0.08 0.00 0.13 0.00 0.00 31.00 32.63 2q4r h PRO 224 CO 0.49 1.21 1.39 0.00 -0.23 0.00 0.00 178.00 180.86 2q4r h ARG 225 N 0.16 0.00 0.00 0.86 -0.00 -1.95 -3.51 114.38 109.95 2q4r h ARG 225 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.39 2q4r h ARG 225 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.44 2q4r h ARG 225 CO 0.16 0.00 0.00 0.25 0.00 0.00 0.00 179.97 180.38 2q4r n THR 226 N -3.92 0.00 -3.40 2.04 -2.24 -1.24 -4.88 114.28 100.64 2q4r n THR 226 Ca 0.43 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.22 2q4r n THR 226 Cb 1.96 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 70.15 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 -0.12 -0.01 3.38 0.00 -1.20 -4.79 107.32 104.59 2q4r s GLY 228 Ca 0.00 3.13 0.06 0.00 0.00 0.00 0.00 44.72 47.91 2q4r s GLY 228 CO 0.00 3.21 -0.17 -0.19 0.00 0.00 0.00 173.10 175.95 2q4r s TYR 229 N 2.32 2.60 -0.10 1.90 2.02 0.46 -4.92 117.35 121.63 2q4r s TYR 229 Ca -0.03 -0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2q4r s TYR 229 Cb -0.05 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2q4r s TYR 229 CO -0.17 0.19 -0.07 -1.54 -1.57 0.00 0.00 175.55 172.38 2q4r s SER 230 N -1.01 4.56 0.24 2.29 1.04 -1.26 -1.49 113.70 118.06 2q4r s SER 230 Ca 0.13 -0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.51 2q4r s SER 230 Cb -0.10 -1.37 -0.05 0.00 0.10 0.00 0.00 66.02 64.59 2q4r s SER 230 CO 0.02 0.28 -0.05 0.68 0.98 0.00 0.00 173.24 175.16 2q4r s VAL 231 N -0.33 1.37 -0.38 5.02 -7.23 -0.64 -4.89 120.40 113.32 2q4r s VAL 231 Ca 0.05 -2.09 0.17 0.00 -1.81 0.00 0.00 61.98 58.29 2q4r s VAL 231 Cb -0.12 -2.30 -0.23 0.00 0.56 0.00 0.00 36.38 34.29 2q4r s VAL 231 CO 0.02 -0.39 0.53 0.35 -0.31 0.00 0.00 175.10 175.31 2q4r n THR 232 N -0.46 0.00 -3.90 5.32 -2.24 -1.26 -4.64 114.28 107.10 2q4r n THR 232 Ca -0.06 -0.26 0.04 0.00 -2.27 0.00 0.00 64.05 61.50 2q4r n THR 232 Cb 0.63 0.53 0.01 0.00 -2.10 0.00 0.00 70.33 69.39 2q4r n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4r s ALA 233 N -2.90 -2.69 0.37 6.98 0.00 -1.24 -4.92 121.76 117.35 2q4r s ALA 233 Ca -0.00 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.39 2q4r s ALA 233 Cb 0.12 0.76 0.77 0.00 0.00 0.00 0.00 23.12 24.77 2q4r s ALA 233 CO 0.70 -1.15 1.96 -1.35 0.00 0.00 0.00 175.76 175.92 2q4r h PRO 234 N 2.00 0.70 -0.92 0.00 0.11 -1.56 -1.50 132.00 130.83 2q4r h PRO 234 Ca -0.24 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.89 2q4r h PRO 234 Cb 1.18 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 2q4r h PRO 234 CO 0.30 0.46 0.58 0.93 -0.21 0.00 0.00 178.00 180.06 2q4r h GLU 235 N 0.72 1.04 -0.02 1.05 3.07 -1.93 -1.88 114.58 116.63 2q4r h GLU 235 Ca 0.31 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2q4r h GLU 235 Cb 0.28 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2q4r h GLU 235 CO -0.10 0.69 -0.01 -0.44 -1.40 0.00 0.00 179.01 177.75 2q4r h ASP 236 N 1.07 0.04 -1.01 1.42 5.19 -1.68 -2.38 116.42 119.07 2q4r h ASP 236 Ca 0.39 -0.42 0.24 0.00 -0.62 0.00 0.00 57.03 56.62 2q4r h ASP 236 Cb 0.13 -0.01 -0.10 0.00 0.18 0.00 0.00 39.33 39.53 2q4r h ASP 236 CO -0.16 0.45 0.63 0.74 -3.12 0.00 0.00 179.24 177.78 2q4r h THR 237 N -0.38 0.58 -0.15 0.35 2.02 -0.96 0.33 112.91 114.70 2q4r h THR 237 Ca 0.00 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 2q4r h THR 237 Cb 0.43 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2q4r h THR 237 CO 0.00 0.10 -0.24 0.03 0.37 0.00 0.00 175.52 175.77 2q4r h ARG 238 N 0.52 0.44 -0.14 6.66 3.08 -1.24 0.27 114.38 123.98 2q4r h ARG 238 Ca 0.60 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.41 2q4r h ARG 238 Cb 1.28 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 2q4r h ARG 238 CO -0.36 0.86 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.27 2q4r h ARG 239 N 0.06 -0.01 0.05 0.04 2.43 -0.50 0.20 114.38 116.65 2q4r h ARG 239 Ca 0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2q4r h ARG 239 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2q4r h ARG 239 CO 0.06 -0.01 -0.02 0.82 -1.51 0.00 0.00 179.97 179.30 2q4r h ILE 240 N -0.01 1.22 -0.06 1.20 2.04 -1.05 0.21 117.51 121.05 2q4r h ILE 240 Ca 0.07 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.01 2q4r h ILE 240 Cb 0.12 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2q4r h ILE 240 CO -0.15 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.31 2q4r h GLU 242 N 0.00 -0.10 -0.86 0.00 4.57 -0.34 -1.48 114.58 116.37 2q4r h GLU 242 Ca 0.03 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.42 2q4r h GLU 242 Cb 0.17 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 2q4r h GLU 242 CO -0.00 -0.07 0.58 1.25 -1.18 0.00 0.00 179.01 179.59 2q4r h LEU 243 N -0.75 0.33 0.25 1.64 5.85 -0.27 -2.79 115.31 119.56 2q4r h LEU 243 Ca -0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2q4r h LEU 243 Cb 0.08 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2q4r h LEU 243 CO 0.02 0.14 -0.12 0.25 -0.34 0.00 0.00 178.44 178.39 2q4r h LEU 244 N 0.33 -0.28 0.00 2.25 5.85 0.18 -3.48 115.31 120.16 2q4r h LEU 244 Ca 0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2q4r h LEU 244 Cb 1.19 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2q4r h LEU 244 CO -0.14 0.12 0.00 0.49 -0.34 0.00 0.00 178.44 178.57 2q4r n PHE 245 N -4.67 -3.06 -0.42 1.25 3.72 -0.56 -5.07 117.46 108.65 2q4r n PHE 245 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2q4r n PHE 245 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2q4r n PHE 245 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58