#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 1.10 3.65 0.55 0.00 -1.26 -4.67 105.19 104.56 2q4r n GLY 5 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 4.13 0.04 1.61 0.02 -1.26 -4.87 135.00 134.67 2q4r s PRO 6 Ca 0.00 1.87 -0.28 0.00 0.02 0.00 0.00 61.00 62.61 2q4r s PRO 6 Cb 0.00 -3.91 0.10 0.00 0.02 0.00 0.00 34.50 30.71 2q4r s PRO 6 CO 0.00 -0.88 1.19 0.00 -0.33 0.00 0.00 177.00 176.99 2q4r s ALA 7 N 4.04 -2.08 -0.11 -1.55 0.00 -1.26 0.59 121.76 121.39 2q4r s ALA 7 Ca 0.65 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 2q4r s ALA 7 Cb -0.27 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.40 2q4r s ALA 7 CO 0.24 -1.06 -0.01 -1.17 0.00 0.00 0.00 175.76 173.75 2q4r s LEU 8 N -3.10 0.93 -0.23 0.00 2.96 -0.53 -3.42 118.68 115.28 2q4r s LEU 8 Ca 0.16 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2q4r s LEU 8 Cb 0.02 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 2q4r s LEU 8 CO -0.01 -0.20 -0.01 0.00 -1.32 0.00 0.00 176.35 174.81 2q4r s LEU 10 N 1.50 3.41 0.19 0.00 1.43 -0.55 -1.27 118.68 123.40 2q4r s LEU 10 Ca 0.05 0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.26 2q4r s LEU 10 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2q4r s LEU 10 CO -0.01 0.32 -0.22 -0.36 0.23 0.00 0.00 176.35 176.31 2q4r s PHE 11 N -0.97 2.14 0.32 0.29 0.08 -0.95 -2.27 117.98 116.62 2q4r s PHE 11 Ca 0.16 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 2q4r s PHE 11 Cb -0.11 -1.05 -0.07 0.00 -0.57 0.00 0.00 43.02 41.22 2q4r s PHE 11 CO 0.06 0.46 0.65 0.34 -0.10 0.00 0.00 175.22 176.63 2q4r s ASP 12 N -2.75 6.55 0.00 1.36 3.68 0.26 -3.90 116.67 121.87 2q4r s ASP 12 Ca 0.20 0.97 0.00 0.00 2.13 0.00 0.00 52.55 55.85 2q4r s ASP 12 Cb -0.07 -2.25 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 2q4r s ASP 12 CO 0.09 -0.23 0.00 1.33 0.13 0.00 0.00 175.17 176.49 2q4r n VAL 13 N -0.79 0.00 -1.64 1.11 0.24 -1.26 -3.68 118.33 112.31 2q4r n VAL 13 Ca 0.01 0.00 -0.49 0.00 -2.04 0.00 0.00 64.34 61.82 2q4r n VAL 13 Cb 0.53 -0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.73 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2q4r n ASP 14 N 0.00 2.45 0.00 -1.34 2.03 -1.26 -0.78 116.55 117.65 2q4r n ASP 14 Ca 0.00 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2q4r n ASP 14 Cb 0.00 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 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 3.06 2.40 0.09 0.27 0.00 0.42 -4.71 105.19 106.72 2q4r n GLY 15 Ca 0.18 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 1.26 0.00 2.61 2.02 -1.36 -2.70 112.91 114.75 2q4r h THR 16 Ca 0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 2q4r h THR 16 Cb 0.00 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2q4r h THR 16 CO 0.00 0.46 -0.97 0.18 0.37 0.00 0.00 175.52 175.56 2q4r n LEU 17 N -4.45 0.36 -4.26 2.58 4.77 0.04 -3.22 117.00 112.82 2q4r n LEU 17 Ca -0.23 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.30 2q4r n LEU 17 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2q4r n LEU 17 CO 0.27 0.09 -0.24 0.42 -1.33 0.00 0.00 177.39 176.60 2q4r s THR 18 N -2.45 0.25 0.37 -5.08 -4.23 -1.21 -4.43 115.64 98.87 2q4r s THR 18 Ca 0.01 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.32 2q4r s THR 18 Cb 0.09 -2.56 -0.10 0.00 1.34 0.00 0.00 72.50 71.27 2q4r s THR 18 CO 0.52 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 175.47 2q4r s ALA 19 N -3.94 3.17 -0.11 3.99 0.00 -1.26 -0.44 121.76 123.17 2q4r s ALA 19 Ca 0.38 0.31 -0.38 0.00 0.00 0.00 0.00 51.96 52.27 2q4r s ALA 19 Cb 0.07 -3.03 -0.15 0.00 0.00 0.00 0.00 23.12 20.01 2q4r s ALA 19 CO 0.13 0.21 1.65 -2.30 0.00 0.00 0.00 175.76 175.45 2q4r n PRO 20 N -0.28 1.42 -2.04 0.00 -0.02 -1.26 -0.41 135.00 132.42 2q4r n PRO 20 Ca 0.05 0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 61.86 2q4r n PRO 20 Cb 0.53 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.67 -1.38 -4.55 -0.52 1.74 -1.26 -5.00 116.66 110.36 2q4r n ARG 21 Ca 0.23 0.98 -0.25 0.00 -0.77 0.00 0.00 57.85 58.03 2q4r n ARG 21 Cb 0.19 -5.40 -0.14 0.00 -1.02 0.00 0.00 32.46 26.09 2q4r n ARG 21 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2q4r s GLN 22 N -4.40 1.33 0.52 5.56 0.74 0.46 -5.12 119.66 118.75 2q4r s GLN 22 Ca 0.00 -1.01 -0.22 0.00 0.05 0.00 0.00 55.36 54.18 2q4r s GLN 22 Cb 0.00 -1.49 -0.05 0.00 1.10 0.00 0.00 33.01 32.56 2q4r s GLN 22 CO 0.00 0.37 1.29 0.21 -0.55 0.00 0.00 175.29 176.61 2q4r s LYS 23 N -1.38 3.30 0.35 1.67 2.47 -1.26 -4.31 119.74 120.57 2q4r s LYS 23 Ca 0.07 2.07 -0.28 0.00 -1.56 0.00 0.00 55.97 56.28 2q4r s LYS 23 Cb -0.09 -2.27 -0.12 0.00 -1.46 0.00 0.00 37.83 33.88 2q4r s LYS 23 CO 0.02 -1.01 1.30 1.51 0.16 0.00 0.00 175.35 177.34 2q4r n ILE 24 N -0.92 2.03 -2.62 5.43 3.06 0.35 -4.68 119.36 122.02 2q4r n ILE 24 Ca 0.10 -0.50 -0.40 0.00 -2.50 0.00 0.00 62.75 59.44 2q4r n ILE 24 Cb 0.46 -1.60 -0.05 0.00 0.54 0.00 0.00 39.64 39.00 2q4r n ILE 24 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2q4r s THR 25 N -1.10 3.90 0.29 9.51 2.01 -1.26 -4.90 115.64 124.09 2q4r s THR 25 Ca 0.56 1.82 0.05 0.00 0.31 0.00 0.00 61.69 64.42 2q4r s THR 25 Cb -0.56 -4.16 0.29 0.00 0.01 0.00 0.00 72.50 68.08 2q4r s THR 25 CO 0.62 0.39 1.70 0.50 -0.69 0.00 0.00 174.62 177.15 2q4r h LYS 26 N 4.39 0.43 -0.32 4.92 3.11 -1.99 0.40 116.57 127.50 2q4r h LYS 26 Ca -0.45 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2q4r h LYS 26 Cb 1.21 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 2q4r h LYS 26 CO 0.69 0.28 0.00 -1.91 -2.81 0.00 0.00 179.45 175.70 2q4r n GLU 27 N -5.01 0.17 0.00 1.90 2.13 -1.26 -2.39 120.64 116.18 2q4r n GLU 27 Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2q4r n GLU 27 Cb 0.66 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 31.25 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 0.46 0.00 -0.21 4.31 2.03 0.14 -2.03 116.55 121.26 2q4r n ASP 29 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 2q4r n ASP 29 Cb 0.05 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.83 -0.52 1.67 3.32 -1.73 -2.27 116.42 117.72 2q4r h ASP 30 Ca 0.00 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.91 2q4r h ASP 30 Cb 0.00 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.26 2q4r h ASP 30 CO 0.00 0.81 -0.46 0.15 -1.72 0.00 0.00 179.24 178.02 2q4r h PHE 31 N 0.81 -1.43 -0.15 4.55 3.57 -1.69 0.50 116.94 123.11 2q4r h PHE 31 Ca 0.19 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.82 2q4r h PHE 31 Cb 0.26 0.69 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 2q4r h PHE 31 CO 0.02 -0.35 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.47 2q4r h LEU 32 N -0.19 -0.62 -0.88 0.59 3.38 -1.81 0.27 115.31 116.04 2q4r h LEU 32 Ca 0.09 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2q4r h LEU 32 Cb 0.42 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2q4r h LEU 32 CO -0.59 -0.25 0.55 1.56 0.09 0.00 0.00 178.44 179.80 2q4r h GLN 33 N -0.25 0.96 -0.40 1.13 1.08 -0.71 0.87 115.11 117.79 2q4r h GLN 33 Ca 0.10 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2q4r h GLN 33 Cb 0.40 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2q4r h GLN 33 CO -0.29 0.64 0.21 -0.22 -0.95 0.00 0.00 178.83 178.22 2q4r h LYS 34 N 0.99 0.57 -0.35 1.46 3.64 0.74 -1.31 116.57 122.31 2q4r h LYS 34 Ca 0.39 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2q4r h LYS 34 Cb 0.20 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2q4r h LYS 34 CO -0.18 0.47 0.17 1.25 -2.27 0.00 0.00 179.45 178.89 2q4r h LEU 35 N 0.51 0.42 -2.50 5.20 5.85 0.14 0.55 115.31 125.47 2q4r h LEU 35 Ca 0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2q4r h LEU 35 Cb 0.08 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2q4r h LEU 35 CO -0.02 0.36 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.33 2q4r h ARG 36 N 0.48 0.00 -0.09 1.25 2.43 0.19 -0.84 114.38 117.79 2q4r h ARG 36 Ca 0.12 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2q4r h ARG 36 Cb 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2q4r h ARG 36 CO -0.02 0.02 0.07 1.96 -1.51 0.00 0.00 179.97 180.49 2q4r h GLN 37 N 0.00 0.02 0.00 0.20 1.08 -0.61 -3.34 115.11 112.47 2q4r h GLN 37 Ca -0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2q4r h GLN 37 Cb 0.07 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2q4r h GLN 37 CO 0.00 0.02 -0.79 0.36 -0.95 0.00 0.00 178.83 177.47 2q4r n LYS 38 N -4.51 0.42 -4.19 1.46 0.00 -0.36 -5.04 118.16 105.93 2q4r n LYS 38 Ca -0.01 0.17 -0.25 0.00 -0.00 0.00 0.00 58.31 58.22 2q4r n LYS 38 Cb 0.16 -1.23 -0.07 0.00 -0.00 0.00 0.00 35.03 33.89 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 -2.53 3.89 0.40 0.58 2.07 -0.94 -4.98 121.20 119.68 2q4r s ILE 39 Ca -0.23 -1.46 -0.24 0.00 -1.41 0.00 0.00 60.65 57.31 2q4r s ILE 39 Cb 0.03 -3.00 -0.09 0.00 0.13 0.00 0.00 42.46 39.53 2q4r s ILE 39 CO 0.34 -0.19 1.05 -0.54 -1.91 0.00 0.00 174.94 173.69 2q4r s LYS 40 N -3.23 4.16 0.09 3.50 -0.14 -1.22 -4.03 119.74 118.88 2q4r s LYS 40 Ca 0.29 1.52 0.06 0.00 -1.36 0.00 0.00 55.97 56.48 2q4r s LYS 40 Cb -0.09 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 2q4r s LYS 40 CO 0.20 -0.15 -0.15 0.96 -0.76 0.00 0.00 175.35 175.46 2q4r s ILE 41 N -1.65 1.25 0.20 2.17 -4.36 -1.26 -0.11 121.20 117.44 2q4r s ILE 41 Ca 0.58 -1.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.39 2q4r s ILE 41 Cb -0.22 -1.28 -0.00 0.00 1.25 0.00 0.00 42.46 42.21 2q4r s ILE 41 CO 0.28 -0.27 0.37 -0.83 0.24 0.00 0.00 174.94 174.73 2q4r s GLY 42 N -1.99 0.50 0.03 6.27 0.00 -0.39 -1.36 107.32 110.38 2q4r s GLY 42 Ca 0.02 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.91 2q4r s GLY 42 CO 0.03 -0.73 -0.09 -1.34 0.00 0.00 0.00 173.10 170.97 2q4r s VAL 43 N -3.99 0.65 0.02 1.40 -7.23 -0.97 -2.24 120.40 108.04 2q4r s VAL 43 Ca 0.20 -0.84 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 2q4r s VAL 43 Cb 0.02 -0.64 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 2q4r s VAL 43 CO 0.04 -0.16 -0.09 0.54 -0.31 0.00 0.00 175.10 175.12 2q4r s VAL 44 N -0.93 0.65 0.11 1.32 0.11 -1.25 0.26 120.40 120.66 2q4r s VAL 44 Ca -0.04 -0.75 -0.25 0.00 -2.93 0.00 0.00 61.98 58.02 2q4r s VAL 44 Cb -0.07 -0.62 0.08 0.00 -1.53 0.00 0.00 36.38 34.23 2q4r s VAL 44 CO 0.00 -0.10 0.67 -0.83 -3.33 0.00 0.00 175.10 171.52 2q4r s GLY 45 N -0.93 -0.58 0.26 6.54 0.00 -1.01 -4.50 107.32 107.10 2q4r s GLY 45 Ca -0.03 0.66 0.25 0.00 0.00 0.00 0.00 44.72 45.60 2q4r s GLY 45 CO 0.00 0.24 1.63 -1.33 0.00 0.00 0.00 173.10 173.65 2q4r h GLY 46 N 2.05 0.00 -0.94 0.20 0.00 -1.91 1.09 103.07 103.56 2q4r h GLY 46 Ca -0.31 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.56 2q4r h GLY 46 CO 0.36 0.00 0.33 -0.56 0.00 0.00 0.00 176.54 176.67 2q4r s SER 47 N -4.99 3.99 0.79 0.19 0.01 -1.26 -4.15 113.70 108.28 2q4r s SER 47 Ca 0.08 0.33 -0.06 0.00 1.31 0.00 0.00 55.95 57.62 2q4r s SER 47 Cb 0.10 -0.66 0.14 0.00 0.21 0.00 0.00 66.02 65.82 2q4r s SER 47 CO 0.64 -2.17 1.09 1.51 0.41 0.00 0.00 173.24 174.72 2q4r s ASP 48 N -4.72 4.05 0.17 2.44 1.47 -1.26 0.59 116.67 119.42 2q4r s ASP 48 Ca 0.67 -0.09 -0.18 0.00 1.18 0.00 0.00 52.55 54.13 2q4r s ASP 48 Cb -0.07 -0.22 0.11 0.00 -0.34 0.00 0.00 42.92 42.39 2q4r s ASP 48 CO 0.49 -2.08 1.65 0.15 0.68 0.00 0.00 175.17 176.06 2q4r h PHE 49 N -0.85 -0.37 -0.85 2.11 3.57 -1.98 -2.87 116.94 115.69 2q4r h PHE 49 Ca -0.40 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.30 2q4r h PHE 49 Cb 1.26 0.23 -0.10 0.00 2.79 0.00 0.00 35.95 40.13 2q4r h PHE 49 CO -0.41 -0.24 0.43 0.93 -2.23 0.00 0.00 178.31 176.79 2q4r h GLU 50 N -0.07 0.59 -0.02 1.11 5.08 -2.00 -2.13 114.58 117.14 2q4r h GLU 50 Ca 0.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2q4r h GLU 50 Cb 0.38 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2q4r h GLU 50 CO -0.46 0.39 0.01 -0.22 -1.00 0.00 0.00 179.01 177.73 2q4r h LYS 51 N 0.61 0.03 -0.95 2.33 1.63 -1.90 -1.40 116.57 116.92 2q4r h LYS 51 Ca 0.47 -0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.36 2q4r h LYS 51 Cb 0.69 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.24 2q4r h LYS 51 CO -0.38 0.10 0.61 0.28 -3.45 0.00 0.00 179.45 176.61 2q4r h VAL 52 N -0.04 1.00 -0.23 2.00 2.07 -1.42 -0.74 116.25 118.90 2q4r h VAL 52 Ca 0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2q4r h VAL 52 Cb 0.07 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 2q4r h VAL 52 CO -0.00 0.18 0.13 1.56 0.02 0.00 0.00 177.57 179.47 2q4r h GLN 53 N 1.01 0.31 -0.89 1.57 4.20 -0.95 1.16 115.11 121.52 2q4r h GLN 53 Ca 0.44 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.23 2q4r h GLN 53 Cb 0.33 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.97 2q4r h GLN 53 CO -0.19 0.26 0.52 0.93 -0.67 0.00 0.00 178.83 179.69 2q4r h GLU 54 N 0.27 0.81 0.20 1.46 5.08 -0.09 0.90 114.58 123.21 2q4r h GLU 54 Ca 0.08 -0.05 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 2q4r h GLU 54 Cb 0.04 -0.18 0.03 0.00 0.50 0.00 0.00 28.75 29.13 2q4r h GLU 54 CO -0.01 0.53 -1.31 1.96 -1.00 0.00 0.00 179.01 179.18 2q4r h GLN 55 N 0.83 0.43 0.00 2.33 4.20 -0.63 -3.42 115.11 118.85 2q4r h GLN 55 Ca 0.45 -0.73 -0.28 0.00 0.06 0.00 0.00 58.65 58.14 2q4r h GLN 55 Cb 0.47 0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 2q4r h GLN 55 CO -0.28 1.35 -2.07 1.28 -0.67 0.00 0.00 178.83 178.44 2q4r n LEU 56 N -3.85 1.62 0.00 1.46 4.77 0.40 0.13 117.00 121.53 2q4r n LEU 56 Ca -0.18 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2q4r n LEU 56 Cb 1.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2q4r n LEU 56 CO 0.54 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 2q4r n GLY 57 N 2.34 3.81 0.49 -0.72 0.00 0.31 -4.85 105.19 106.57 2q4r n GLY 57 Ca -0.30 -0.50 0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.86 1.61 2.35 -1.90 1.01 115.58 117.79 2q4r h ASN 58 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 2q4r h ASN 58 Cb 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.14 2q4r h ASN 58 CO 0.00 0.00 0.47 -0.90 -1.65 0.00 0.00 177.43 175.35 2q4r n ASP 59 N -3.20 3.98 -0.21 5.81 5.75 -1.26 -4.72 116.55 122.70 2q4r n ASP 59 Ca 0.18 -3.50 0.02 0.00 -0.01 0.00 0.00 54.79 51.48 2q4r n ASP 59 Cb 1.34 -0.79 0.12 0.00 -1.03 0.00 0.00 41.12 40.77 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 1.53 0.59 -0.53 2.12 3.04 0.73 -1.17 116.25 122.56 2q4r h VAL 60 Ca 0.48 -0.08 0.15 0.00 -1.01 0.00 0.00 66.70 66.24 2q4r h VAL 60 Cb 2.59 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 32.18 2q4r h VAL 60 CO 0.92 0.04 0.54 -0.37 -1.01 0.00 0.00 177.57 177.69 2q4r h VAL 61 N 0.24 0.37 -0.12 1.51 -1.51 -1.84 0.26 116.25 115.16 2q4r h VAL 61 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 2q4r h VAL 61 Cb 0.53 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2q4r h VAL 61 CO -0.45 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.27 2q4r n GLU 62 N -3.75 2.15 -0.01 5.19 1.02 -0.45 -3.79 120.64 121.00 2q4r n GLU 62 Ca 0.10 -1.92 0.09 0.00 -0.02 0.00 0.00 57.16 55.41 2q4r n GLU 62 Cb 0.74 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.60 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 1.27 0.73 -4.27 3.49 4.76 0.84 -4.99 118.16 120.00 2q4r n LYS 63 Ca 0.14 -0.12 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 2q4r n LYS 63 Cb 0.56 -1.41 -0.11 0.00 -1.84 0.00 0.00 35.03 32.23 2q4r n LYS 63 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2q4r s TYR 64 N -3.09 1.54 -0.10 2.13 2.02 -0.80 -4.89 117.35 114.16 2q4r s TYR 64 Ca -0.03 -0.51 0.18 0.00 -0.37 0.00 0.00 57.07 56.34 2q4r s TYR 64 Cb 0.12 -0.80 0.30 0.00 -0.40 0.00 0.00 41.96 41.18 2q4r s TYR 64 CO 0.75 0.20 1.55 -0.44 -1.57 0.00 0.00 175.55 176.04 2q4r h ASP 65 N 3.54 0.00 -4.44 2.29 3.32 -1.52 -3.43 116.42 116.19 2q4r h ASP 65 Ca -0.41 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 2q4r h ASP 65 Cb 1.20 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 2q4r h ASP 65 CO 0.49 0.39 -0.53 -0.31 -1.72 0.00 0.00 179.24 177.57 2q4r s TYR 66 N -3.16 -0.04 -0.07 4.55 2.02 -1.20 -3.14 117.35 116.31 2q4r s TYR 66 Ca 0.03 0.08 -0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2q4r s TYR 66 Cb 0.08 -0.01 0.04 0.00 -0.40 0.00 0.00 41.96 41.67 2q4r s TYR 66 CO 0.71 -0.19 0.06 0.08 -1.57 0.00 0.00 175.55 174.65 2q4r s VAL 67 N -0.73 -0.06 -0.61 0.71 1.01 -0.68 -2.30 120.40 117.75 2q4r s VAL 67 Ca -0.08 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2q4r s VAL 67 Cb -0.05 -0.29 0.30 0.00 0.00 0.00 0.00 36.38 36.34 2q4r s VAL 67 CO 0.01 0.08 0.86 0.49 0.00 0.00 0.00 175.10 176.53 2q4r n PHE 68 N 5.28 3.87 -0.69 5.22 3.72 0.14 -1.46 117.46 133.54 2q4r n PHE 68 Ca -0.04 -4.07 -0.31 0.00 -0.05 0.00 0.00 57.45 52.98 2q4r n PHE 68 Cb 0.50 -0.52 0.18 0.00 -0.94 0.00 0.00 39.48 38.69 2q4r n PHE 68 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2q4r s PRO 69 N -3.02 0.78 -1.66 -1.08 0.02 -1.08 -0.84 135.00 128.13 2q4r s PRO 69 Ca 0.45 1.45 -0.17 0.00 0.02 0.00 0.00 61.00 62.74 2q4r s PRO 69 Cb 0.22 -1.71 0.14 0.00 0.02 0.00 0.00 34.50 33.17 2q4r s PRO 69 CO -0.08 -2.76 0.84 0.39 -0.33 0.00 0.00 177.00 175.07 2q4r n GLU 70 N -4.31 -3.80 -3.00 5.54 1.02 0.20 -2.04 120.64 114.25 2q4r n GLU 70 Ca 0.11 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.55 2q4r n GLU 70 Cb 0.52 -5.21 0.06 0.00 -0.02 0.00 0.00 31.44 26.80 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 -2.70 -4.38 0.00 1.62 3.02 0.32 -2.66 115.26 110.47 2q4r n ASN 71 Ca 0.07 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2q4r n ASN 71 Cb 0.50 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 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 0.44 0.34 7.41 0.00 -0.02 -3.74 105.19 108.41 2q4r n GLY 72 Ca -0.12 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.08 2q4r n GLY 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2q4r h LEU 73 N 0.00 0.00 -8.12 0.99 3.38 -1.43 -3.24 115.31 106.89 2q4r h LEU 73 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2q4r h LEU 73 Cb 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.42 2q4r h LEU 73 CO 0.00 0.00 -0.81 -0.69 0.09 0.00 0.00 178.44 177.03 2q4r s VAL 74 N -4.31 2.44 -0.11 1.22 1.01 -1.02 0.20 120.40 119.82 2q4r s VAL 74 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2q4r s VAL 74 Cb 0.12 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2q4r s VAL 74 CO 0.41 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.79 2q4r s ALA 75 N 1.31 1.57 -0.25 5.51 0.00 0.12 -2.63 121.76 127.40 2q4r s ALA 75 Ca 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2q4r s ALA 75 Cb -0.14 -0.82 0.06 0.00 0.00 0.00 0.00 23.12 22.21 2q4r s ALA 75 CO -0.09 -0.13 -0.12 0.71 0.00 0.00 0.00 175.76 176.12 2q4r s TYR 76 N 1.11 3.19 -0.03 0.00 2.02 -0.53 0.15 117.35 123.25 2q4r s TYR 76 Ca -0.05 -2.23 0.07 0.00 -0.37 0.00 0.00 57.07 54.49 2q4r s TYR 76 Cb -0.14 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 2q4r s TYR 76 CO -0.03 -0.87 -0.25 0.21 -1.57 0.00 0.00 175.55 173.04 2q4r s LYS 77 N 1.13 2.25 -1.57 -0.62 2.20 0.89 -1.69 119.74 122.32 2q4r s LYS 77 Ca -0.07 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 2q4r s LYS 77 Cb -0.19 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 2q4r s LYS 77 CO -0.06 0.51 0.00 -0.25 -0.36 0.00 0.00 175.35 175.19 2q4r n ASP 78 N 2.57 -5.04 0.00 1.43 10.43 -1.19 -0.38 116.55 124.38 2q4r n ASP 78 Ca -0.16 0.14 0.00 0.00 2.57 0.00 0.00 54.79 57.33 2q4r n ASP 78 Cb 0.51 -4.28 0.00 0.00 1.84 0.00 0.00 41.12 39.20 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 -0.82 2.89 3.87 0.44 0.00 -1.25 -4.99 105.19 105.34 2q4r n GLY 79 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.08 3.53 -0.55 1.61 2.20 0.49 -4.92 119.74 122.02 2q4r s LYS 80 Ca 0.00 -0.03 -0.26 0.00 -0.36 0.00 0.00 55.97 55.32 2q4r s LYS 80 Cb 0.00 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 33.05 2q4r s LYS 80 CO 0.00 0.76 2.34 -1.17 -0.36 0.00 0.00 175.35 176.93 2q4r s LEU 81 N -1.03 3.32 0.00 5.43 1.98 -1.26 -0.08 118.68 127.04 2q4r s LEU 81 Ca 0.17 0.83 0.00 0.00 -2.89 0.00 0.00 54.13 52.24 2q4r s LEU 81 Cb -0.13 -2.51 0.00 0.00 0.66 0.00 0.00 46.19 44.21 2q4r s LEU 81 CO 0.06 -2.97 0.67 -0.11 -1.89 0.00 0.00 176.35 172.11 2q4r n LEU 82 N 15.94 0.00 -3.97 -0.68 7.94 0.40 -4.84 117.00 131.78 2q4r n LEU 82 Ca 0.36 0.67 -0.19 0.00 -1.11 0.00 0.00 56.01 55.75 2q4r n LEU 82 Cb 0.53 -0.17 -0.15 0.00 0.53 0.00 0.00 43.42 44.15 2q4r n LEU 82 CO 0.69 -0.17 -0.42 0.00 -1.11 0.00 0.00 177.39 176.37 2q4r s ARG 84 N 0.21 2.39 0.08 0.00 3.52 -1.26 0.14 118.95 124.03 2q4r s ARG 84 Ca -0.03 -1.30 0.08 0.00 -0.13 0.00 0.00 55.73 54.35 2q4r s ARG 84 Cb -0.08 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 2q4r s ARG 84 CO 0.00 -0.63 -0.18 -1.14 -0.81 0.00 0.00 175.30 172.54 2q4r s GLN 85 N 1.23 1.93 0.12 5.12 2.00 0.53 -5.00 119.66 125.59 2q4r s GLN 85 Ca -0.05 -1.08 -0.10 0.00 -2.00 0.00 0.00 55.36 52.13 2q4r s GLN 85 Cb -0.20 -2.16 -0.00 0.00 0.80 0.00 0.00 33.01 31.45 2q4r s GLN 85 CO -0.02 0.51 0.26 0.54 -0.50 0.00 0.00 175.29 176.08 2q4r s ASN 86 N -1.83 0.05 0.03 6.67 2.20 -1.26 -4.53 114.94 116.26 2q4r s ASN 86 Ca 0.17 -0.70 -0.07 0.00 -0.94 0.00 0.00 52.86 51.31 2q4r s ASN 86 Cb -0.11 0.40 -0.03 0.00 -2.00 0.00 0.00 41.25 39.52 2q4r s ASN 86 CO 0.08 -0.81 1.12 -0.29 -2.94 0.00 0.00 177.10 174.26 2q4r h ILE 87 N 2.62 0.00 -1.45 0.54 2.10 0.21 -1.33 117.51 120.20 2q4r h ILE 87 Ca -0.33 0.00 0.42 0.00 1.08 0.00 0.00 64.86 66.03 2q4r h ILE 87 Cb 1.22 0.00 -0.07 0.00 -1.09 0.00 0.00 36.82 36.87 2q4r h ILE 87 CO 0.52 0.00 1.02 0.06 -1.08 0.00 0.00 178.15 178.67 2q4r h GLN 88 N -0.09 0.05 0.00 2.19 -0.00 -1.91 -2.46 115.11 112.88 2q4r h GLN 88 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2q4r h GLN 88 Cb 0.13 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 2q4r h GLN 88 CO -0.12 0.03 0.00 0.43 -0.00 0.00 0.00 178.83 179.17 2q4r n SER 89 N -4.22 0.00 -0.20 0.06 7.64 -0.50 -1.96 113.62 114.44 2q4r n SER 89 Ca 0.33 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.22 2q4r n SER 89 Cb 1.49 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 64.79 2q4r n SER 89 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2q4r h HIS 90 N 0.00 0.17 0.50 1.43 -0.00 -1.61 -3.19 115.15 112.45 2q4r h HIS 90 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2q4r h HIS 90 Cb 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 2q4r h HIS 90 CO 0.00 -0.05 -0.41 -0.07 -0.00 0.00 0.00 177.93 177.40 2q4r h LEU 91 N 0.24 -1.09 0.00 0.26 3.38 -1.55 -3.50 115.31 113.06 2q4r h LEU 91 Ca 0.31 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2q4r h LEU 91 Cb 0.47 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2q4r h LEU 91 CO -0.41 -0.59 0.00 0.61 0.09 0.00 0.00 178.44 178.14 2q4r n GLY 92 N -1.52 2.72 0.33 0.83 0.00 -0.83 -4.78 105.19 101.94 2q4r n GLY 92 Ca -0.12 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 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 1.14 -0.02 1.61 4.39 -1.91 -3.25 114.58 116.54 2q4r h GLU 93 Ca 0.00 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2q4r h GLU 93 Cb 0.00 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 2q4r h GLU 93 CO 0.00 0.87 -0.10 0.00 -1.16 0.00 0.00 179.01 178.62 2q4r h ALA 94 N 1.21 -0.09 -0.03 3.43 0.00 -1.98 -2.21 119.26 119.59 2q4r h ALA 94 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2q4r h ALA 94 Cb 0.09 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2q4r h ALA 94 CO -0.04 -0.58 0.03 1.25 0.00 0.00 0.00 179.25 179.91 2q4r h LEU 95 N -0.15 0.00 0.64 0.00 5.85 -1.86 -2.98 115.31 116.80 2q4r h LEU 95 Ca 0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2q4r h LEU 95 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2q4r h LEU 95 CO -0.11 0.00 -0.44 0.40 -0.34 0.00 0.00 178.44 177.95 2q4r h ILE 96 N 0.00 0.12 -0.41 4.05 1.08 -1.43 -1.79 117.51 119.13 2q4r h ILE 96 Ca 0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2q4r h ILE 96 Cb 0.07 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 2q4r h ILE 96 CO -0.00 0.00 0.28 -0.61 -0.69 0.00 0.00 178.15 177.13 2q4r h GLN 97 N -1.03 0.42 -0.83 2.37 4.15 -1.48 0.16 115.11 118.87 2q4r h GLN 97 Ca -0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 2q4r h GLN 97 Cb 0.85 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 2q4r h GLN 97 CO 0.05 0.28 0.44 -0.44 -1.93 0.00 0.00 178.83 177.23 2q4r h ASP 98 N 0.43 1.05 -0.19 -0.69 3.45 -1.38 0.28 116.42 119.38 2q4r h ASP 98 Ca 0.17 -0.11 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 2q4r h ASP 98 Cb 0.13 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 2q4r h ASP 98 CO -0.04 0.86 -0.20 -0.07 -1.57 0.00 0.00 179.24 178.22 2q4r h LEU 99 N 1.16 0.50 0.91 1.55 3.38 -0.05 -2.95 115.31 119.81 2q4r h LEU 99 Ca 0.29 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2q4r h LEU 99 Cb 0.05 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.67 2q4r h LEU 99 CO -0.04 0.88 -0.44 0.40 0.09 0.00 0.00 178.44 179.33 2q4r h ILE 100 N 0.12 0.00 -0.32 1.22 2.04 -0.50 -1.93 117.51 118.14 2q4r h ILE 100 Ca 0.03 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2q4r h ILE 100 Cb 0.74 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.74 2q4r h ILE 100 CO 0.05 0.00 -0.41 0.78 0.00 0.00 0.00 178.15 178.57 2q4r h ASN 101 N -1.30 -1.35 -0.34 1.72 2.35 -0.58 0.29 115.58 116.37 2q4r h ASN 101 Ca -0.13 0.20 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 2q4r h ASN 101 Cb 0.94 0.58 -0.09 0.00 0.05 0.00 0.00 38.32 39.81 2q4r h ASN 101 CO 0.21 -0.38 -0.38 0.22 -1.65 0.00 0.00 177.43 175.45 2q4r h TYR 102 N -0.37 -1.08 -0.27 1.19 3.20 -1.53 0.21 116.97 118.33 2q4r h TYR 102 Ca 0.12 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2q4r h TYR 102 Cb 0.59 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2q4r h TYR 102 CO -0.57 -0.42 0.14 0.00 -1.64 0.00 0.00 178.16 175.67 2q4r h LEU 104 N 0.31 0.23 0.01 0.00 3.38 -0.00 0.97 115.31 120.21 2q4r h LEU 104 Ca 0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2q4r h LEU 104 Cb 0.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2q4r h LEU 104 CO -0.01 0.17 -0.00 0.28 0.09 0.00 0.00 178.44 178.96 2q4r h SER 105 N 0.38 -0.01 0.48 -0.43 0.02 -0.17 0.23 113.55 114.06 2q4r h SER 105 Ca 0.21 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2q4r h SER 105 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2q4r h SER 105 CO -0.19 0.12 -0.46 0.22 -1.14 0.00 0.00 176.83 175.38 2q4r h TYR 106 N -0.14 -1.27 -1.02 3.45 3.20 0.25 0.51 116.97 121.95 2q4r h TYR 106 Ca -0.00 0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.13 2q4r h TYR 106 Cb 0.14 0.49 -0.10 0.00 1.54 0.00 0.00 36.73 38.80 2q4r h TYR 106 CO -0.03 -0.62 0.65 0.82 -1.64 0.00 0.00 178.16 177.34 2q4r h ILE 107 N -0.93 0.56 -0.65 1.81 2.04 0.98 0.81 117.51 122.12 2q4r h ILE 107 Ca -0.06 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2q4r h ILE 107 Cb 0.80 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2q4r h ILE 107 CO -0.04 0.08 0.13 0.00 0.00 0.00 0.00 178.15 178.32 2q4r h ALA 108 N 1.63 0.86 -0.27 1.87 0.00 0.13 -3.13 119.26 120.36 2q4r h ALA 108 Ca 0.59 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 2q4r h ALA 108 Cb 1.38 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2q4r h ALA 108 CO -0.32 0.61 -0.51 0.87 0.00 0.00 0.00 179.25 179.90 2q4r h LYS 109 N 0.99 0.82 -6.25 0.00 1.57 0.54 -3.44 116.57 110.80 2q4r h LYS 109 Ca 0.20 -0.52 -0.65 0.00 -1.87 0.00 0.00 60.65 57.81 2q4r h LYS 109 Cb 0.41 0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.80 2q4r h LYS 109 CO 0.01 1.15 1.01 -0.89 -0.57 0.00 0.00 179.45 180.17 2q4r n ILE 110 N -4.07 0.46 -2.80 1.86 5.41 0.02 -4.87 119.36 115.37 2q4r n ILE 110 Ca -0.05 -0.08 -0.44 0.00 1.00 0.00 0.00 62.75 63.18 2q4r n ILE 110 Cb 0.61 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 2q4r n ILE 110 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2q4r n LYS 111 N 6.02 3.50 -2.45 0.38 4.76 -1.26 -4.98 118.16 124.12 2q4r n LYS 111 Ca 0.23 -3.82 -0.27 0.00 -2.87 0.00 0.00 58.31 51.58 2q4r n LYS 111 Cb 0.24 -2.96 0.02 0.00 -1.84 0.00 0.00 35.03 30.50 2q4r n LYS 111 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2q4r s LEU 112 N 0.73 3.39 0.45 -0.35 1.43 -1.26 -4.99 118.68 118.07 2q4r s LEU 112 Ca 0.41 0.85 0.23 0.00 -1.03 0.00 0.00 54.13 54.58 2q4r s LEU 112 Cb 0.01 -3.74 1.01 0.00 0.03 0.00 0.00 46.19 43.50 2q4r s LEU 112 CO 0.00 -0.86 1.88 1.55 0.23 0.00 0.00 176.35 179.15 2q4r h PRO 113 N -0.03 0.00 -3.08 1.29 0.13 -2.02 -3.45 132.00 124.84 2q4r h PRO 113 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2q4r h PRO 113 Cb 1.23 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 2q4r h PRO 113 CO 0.61 0.24 -0.07 0.15 -0.23 0.00 0.00 178.00 178.70 2q4r s LYS 114 N -3.84 0.99 -0.11 0.86 1.02 -1.26 -5.16 119.74 112.22 2q4r s LYS 114 Ca -0.01 -0.44 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 2q4r s LYS 114 Cb 0.12 0.44 0.04 0.00 -0.52 0.00 0.00 37.83 37.90 2q4r s LYS 114 CO 0.64 -0.36 0.29 0.15 -0.92 0.00 0.00 175.35 175.15 2q4r s LYS 115 N -2.85 0.31 0.00 1.68 1.02 -1.26 -4.69 119.74 113.94 2q4r s LYS 115 Ca -0.03 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.43 2q4r s LYS 115 Cb -0.00 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2q4r s LYS 115 CO -0.05 -0.08 0.00 0.54 -0.92 0.00 0.00 175.35 174.84 2q4r n ARG 116 N 3.40 0.00 -4.02 1.68 5.12 0.14 -5.04 116.66 117.93 2q4r n ARG 116 Ca -0.17 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.64 2q4r n ARG 116 Cb 0.56 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.82 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 0.92 -1.10 -0.13 0.00 -1.25 -4.95 107.32 100.82 2q4r s GLY 117 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.46 2q4r s GLY 117 CO 0.00 -0.77 0.87 2.41 0.00 0.00 0.00 173.10 175.61 2q4r n THR 118 N -0.46 -7.76 0.36 0.90 -1.04 -1.26 -1.94 114.28 103.08 2q4r n THR 118 Ca -0.01 -1.16 0.13 0.00 -2.04 0.00 0.00 64.05 60.97 2q4r n THR 118 Cb 0.62 -5.61 0.35 0.00 -1.82 0.00 0.00 70.33 63.86 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 -1.42 0.00 -3.15 -1.42 0.04 -1.92 -2.26 116.94 106.81 2q4r h PHE 119 Ca -0.63 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 59.81 2q4r h PHE 119 Cb 1.33 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 39.11 2q4r h PHE 119 CO 0.32 0.00 -0.68 0.42 -0.60 0.00 0.00 178.31 177.78 2q4r s ILE 120 N -3.26 -0.20 -0.21 -0.55 1.01 -1.26 -1.43 121.20 115.30 2q4r s ILE 120 Ca 0.07 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 2q4r s ILE 120 Cb 0.08 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 2q4r s ILE 120 CO 0.61 0.13 -0.05 -0.70 0.00 0.00 0.00 174.94 174.92 2q4r s GLU 121 N 2.24 3.40 -0.14 2.79 2.12 0.59 -4.97 118.70 124.73 2q4r s GLU 121 Ca 0.04 -0.62 -0.21 0.00 0.36 0.00 0.00 54.97 54.53 2q4r s GLU 121 Cb -0.12 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2q4r s GLU 121 CO -0.05 -0.12 0.63 0.12 -0.54 0.00 0.00 175.26 175.30 2q4r s PHE 122 N 1.28 3.47 0.13 5.30 5.36 -1.26 -0.76 117.98 131.49 2q4r s PHE 122 Ca 0.03 1.04 0.07 0.00 -0.96 0.00 0.00 56.93 57.11 2q4r s PHE 122 Cb -0.14 -2.76 -0.04 0.00 -0.34 0.00 0.00 43.02 39.73 2q4r s PHE 122 CO -0.02 -0.03 -0.17 1.03 -1.46 0.00 0.00 175.22 174.57 2q4r s ARG 123 N 1.33 1.12 0.56 10.12 0.52 -1.26 -5.00 118.95 126.34 2q4r s ARG 123 Ca 0.31 -1.25 0.28 0.00 -0.52 0.00 0.00 55.73 54.55 2q4r s ARG 123 Cb -0.16 -1.17 1.47 0.00 0.52 0.00 0.00 34.95 35.61 2q4r s ARG 123 CO 0.13 0.25 1.94 -0.91 0.02 0.00 0.00 175.30 176.73 2q4r h ASN 124 N 3.63 0.00 -0.11 0.23 2.35 -1.97 -3.42 115.58 116.30 2q4r h ASN 124 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2q4r h ASN 124 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2q4r h ASN 124 CO 0.47 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.86 2q4r n GLY 125 N -1.58 3.81 3.01 2.83 0.00 -1.26 0.20 105.19 112.20 2q4r n GLY 125 Ca 0.10 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.99 4.21 -0.30 0.99 1.43 -0.82 -4.66 118.68 117.53 2q4r s LEU 127 Ca 0.23 -1.91 -0.27 0.00 -1.03 0.00 0.00 54.13 51.15 2q4r s LEU 127 Cb 0.18 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2q4r s LEU 127 CO 0.05 -0.33 0.97 0.21 0.23 0.00 0.00 176.35 177.48 2q4r s ASN 128 N 1.01 6.86 -0.05 2.29 3.84 0.06 -2.06 114.94 126.89 2q4r s ASN 128 Ca 0.06 0.96 -0.01 0.00 0.21 0.00 0.00 52.86 54.08 2q4r s ASN 128 Cb -0.19 -2.50 -0.03 0.00 -0.55 0.00 0.00 41.25 37.98 2q4r s ASN 128 CO -0.08 -0.76 0.02 -0.69 -2.79 0.00 0.00 177.10 172.80 2q4r s VAL 129 N 3.35 4.41 -0.18 -5.21 1.01 -0.26 -0.30 120.40 123.22 2q4r s VAL 129 Ca 0.41 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 2q4r s VAL 129 Cb -0.13 -2.91 0.09 0.00 0.00 0.00 0.00 36.38 33.43 2q4r s VAL 129 CO 0.13 0.51 0.27 -0.55 0.00 0.00 0.00 175.10 175.46 2q4r s SER 130 N -1.19 0.68 0.35 3.32 0.15 -0.51 -1.70 113.70 114.79 2q4r s SER 130 Ca 0.16 0.24 0.05 0.00 0.70 0.00 0.00 55.95 57.10 2q4r s SER 130 Cb -0.12 0.69 0.69 0.00 -1.71 0.00 0.00 66.02 65.57 2q4r s SER 130 CO 0.06 -0.28 1.95 -0.65 1.20 0.00 0.00 173.24 175.51 2q4r h PRO 131 N 8.27 0.80 0.12 5.44 0.11 -1.84 -2.60 132.00 142.30 2q4r h PRO 131 Ca -0.16 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.60 2q4r h PRO 131 Cb 1.14 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2q4r h PRO 131 CO 0.21 0.53 -1.48 0.97 -0.21 0.00 0.00 178.00 178.02 2q4r h ILE 132 N 0.82 1.22 0.00 4.15 2.10 -1.83 -3.45 117.51 120.51 2q4r h ILE 132 Ca 0.33 -2.84 0.00 0.00 1.08 0.00 0.00 64.86 63.43 2q4r h ILE 132 Cb 0.25 2.80 0.00 0.00 -1.09 0.00 0.00 36.82 38.78 2q4r h ILE 132 CO -0.12 0.83 0.00 0.61 -1.08 0.00 0.00 178.15 178.39 2q4r n GLY 133 N 1.64 2.60 0.00 8.18 0.00 -0.98 0.25 105.19 116.88 2q4r n GLY 133 Ca -0.15 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 1.62 0.03 0.09 1.61 1.74 -0.82 -2.16 116.66 118.76 2q4r n ARG 134 Ca 0.00 0.17 -0.14 0.00 -0.77 0.00 0.00 57.85 57.11 2q4r n ARG 134 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 2q4r n ARG 134 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2q4r h SER 135 N 0.00 0.46 -1.96 0.55 4.64 -1.74 -3.47 113.55 112.02 2q4r h SER 135 Ca 0.00 -0.42 -0.60 0.00 -0.47 0.00 0.00 61.79 60.30 2q4r h SER 135 Cb 0.01 -0.14 0.18 0.00 -0.31 0.00 0.00 62.40 62.13 2q4r h SER 135 CO 0.00 1.26 -1.13 0.00 -0.87 0.00 0.00 176.83 176.10 2q4r n SER 137 N 2.47 0.13 -0.08 0.00 3.41 -1.26 -4.73 113.62 113.56 2q4r n SER 137 Ca 0.08 -1.42 -0.07 0.00 -0.26 0.00 0.00 58.87 57.20 2q4r n SER 137 Cb 0.46 -0.83 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2q4r n SER 137 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2q4r h GLN 138 N 0.00 0.18 -0.67 4.33 -0.00 -1.99 0.13 115.11 117.10 2q4r h GLN 138 Ca -0.35 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.27 2q4r h GLN 138 Cb 0.98 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.39 2q4r h GLN 138 CO 0.25 0.12 0.33 0.93 0.00 0.00 0.00 178.83 180.47 2q4r h GLU 139 N 0.19 0.96 -0.48 1.69 3.07 -1.99 -0.75 114.58 117.27 2q4r h GLU 139 Ca 0.13 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 2q4r h GLU 139 Cb 0.13 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2q4r h GLU 139 CO -0.16 0.75 -0.13 0.93 -1.40 0.00 0.00 179.01 179.00 2q4r h GLU 140 N 0.93 0.90 -0.45 2.33 5.08 -1.83 0.20 114.58 121.74 2q4r h GLU 140 Ca 0.23 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2q4r h GLU 140 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2q4r h GLU 140 CO -0.03 0.98 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.82 2q4r h ARG 141 N 0.80 0.83 -0.42 2.33 2.43 -0.39 0.53 114.38 120.49 2q4r h ARG 141 Ca 0.12 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 2q4r h ARG 141 Cb 0.66 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2q4r h ARG 141 CO 0.05 0.91 -0.04 0.82 -1.51 0.00 0.00 179.97 180.19 2q4r h ILE 142 N 0.67 1.27 0.33 1.20 1.08 -0.96 0.33 117.51 121.42 2q4r h ILE 142 Ca 0.12 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2q4r h ILE 142 Cb 0.56 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 2q4r h ILE 142 CO 0.03 0.37 -0.44 -0.08 -0.69 0.00 0.00 178.15 177.35 2q4r h GLU 143 N 0.59 -0.76 -0.91 2.37 4.81 -0.80 0.18 114.58 120.05 2q4r h GLU 143 Ca 0.11 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.52 2q4r h GLU 143 Cb 0.55 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 2q4r h GLU 143 CO 0.03 -0.51 0.58 0.35 -0.73 0.00 0.00 179.01 178.74 2q4r h PHE 144 N -0.79 0.93 -0.18 0.92 3.57 -0.77 -1.71 116.94 118.91 2q4r h PHE 144 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2q4r h PHE 144 Cb 0.71 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2q4r h PHE 144 CO -0.29 0.37 0.06 -0.92 -2.23 0.00 0.00 178.31 175.30 2q4r h TYR 145 N 0.81 0.28 -0.29 0.41 3.20 0.74 0.50 116.97 122.63 2q4r h TYR 145 Ca 0.45 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 2q4r h TYR 145 Cb 0.58 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2q4r h TYR 145 CO -0.00 0.36 0.16 1.05 -1.64 0.00 0.00 178.16 178.09 2q4r h GLU 146 N 0.13 0.39 -0.24 1.82 4.11 -0.10 -0.61 114.58 120.07 2q4r h GLU 146 Ca 0.06 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.30 2q4r h GLU 146 Cb 0.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2q4r h GLU 146 CO -0.00 0.29 -0.48 1.25 0.07 0.00 0.00 179.01 180.14 2q4r h LEU 147 N 0.40 0.83 -2.20 3.06 5.85 -0.78 -2.78 115.31 119.69 2q4r h LEU 147 Ca 0.10 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2q4r h LEU 147 Cb 0.01 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2q4r h LEU 147 CO -0.02 1.22 0.00 -0.78 -0.34 0.00 0.00 178.44 178.52 2q4r h ASP 148 N 0.47 0.00 0.07 1.25 3.58 0.15 -1.40 116.42 120.54 2q4r h ASP 148 Ca 0.01 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.21 2q4r h ASP 148 Cb 1.08 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.16 2q4r h ASP 148 CO 0.11 0.00 -1.02 0.11 -2.88 0.00 0.00 179.24 175.56 2q4r h LYS 149 N 0.00 0.57 -0.07 0.28 1.57 -1.05 0.69 116.57 118.56 2q4r h LYS 149 Ca 0.00 -0.70 -0.03 0.00 -1.87 0.00 0.00 60.65 58.05 2q4r h LYS 149 Cb 0.12 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2q4r h LYS 149 CO 0.00 1.30 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.89 2q4r h LYS 150 N 0.16 0.17 0.00 3.15 3.64 -1.25 -3.36 116.57 119.08 2q4r h LYS 150 Ca -0.15 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.07 2q4r h LYS 150 Cb 1.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 2q4r h LYS 150 CO 0.20 0.61 -2.02 0.39 -2.27 0.00 0.00 179.45 176.35 2q4r n GLU 151 N -4.71 0.66 -3.56 1.90 -0.58 -0.65 -5.01 120.64 108.69 2q4r n GLU 151 Ca -0.07 -0.14 -0.19 0.00 -0.42 0.00 0.00 57.16 56.33 2q4r n GLU 151 Cb 0.30 -1.54 0.06 0.00 -0.57 0.00 0.00 31.44 29.70 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 -2.38 -1.70 -0.22 1.62 4.13 0.24 -4.84 115.26 112.10 2q4r n ASN 152 Ca -0.09 -0.71 -0.05 0.00 1.68 0.00 0.00 54.58 55.40 2q4r n ASN 152 Cb 0.69 -4.62 0.00 0.00 -1.54 0.00 0.00 39.78 34.31 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 -1.90 0.14 -0.78 2.41 1.08 -1.86 -0.37 117.51 116.23 2q4r h ILE 153 Ca -0.60 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2q4r h ILE 153 Cb 1.35 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 2q4r h ILE 153 CO 0.53 0.00 0.52 0.03 -0.69 0.00 0.00 178.15 178.54 2q4r h ARG 154 N -0.15 1.00 -0.43 2.37 3.08 -1.89 -1.06 114.38 117.29 2q4r h ARG 154 Ca 0.24 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2q4r h ARG 154 Cb 0.56 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2q4r h ARG 154 CO -0.72 0.66 0.29 0.37 -1.07 0.00 0.00 179.97 179.50 2q4r h GLN 155 N 1.03 0.57 -0.09 0.04 4.15 -1.42 -0.27 115.11 119.12 2q4r h GLN 155 Ca 0.29 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.49 2q4r h GLN 155 Cb -0.08 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 2q4r h GLN 155 CO -0.07 0.38 -0.74 0.87 -1.93 0.00 0.00 178.83 177.34 2q4r h LYS 156 N 0.59 0.46 0.39 1.69 1.57 -1.23 -2.19 116.57 117.85 2q4r h LYS 156 Ca 0.16 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2q4r h LYS 156 Cb -0.07 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2q4r h LYS 156 CO -0.03 1.01 -0.43 0.35 -0.57 0.00 0.00 179.45 179.78 2q4r h PHE 157 N 0.31 -1.17 -0.06 -1.35 3.04 -0.81 -1.26 116.94 115.65 2q4r h PHE 157 Ca -0.03 0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.96 2q4r h PHE 157 Cb 1.32 0.46 -0.05 0.00 2.56 0.00 0.00 35.95 40.24 2q4r h PHE 157 CO 0.05 -0.58 -0.22 0.28 -2.02 0.00 0.00 178.31 175.83 2q4r h VAL 158 N -0.85 0.48 -0.60 1.41 2.07 -1.05 -1.05 116.25 116.67 2q4r h VAL 158 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 2q4r h VAL 158 Cb 0.76 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 2q4r h VAL 158 CO -0.08 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.57 2q4r h ALA 159 N 0.61 0.65 -0.94 1.67 0.00 -1.25 0.75 119.26 120.75 2q4r h ALA 159 Ca 0.08 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2q4r h ALA 159 Cb 0.42 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2q4r h ALA 159 CO -0.24 -0.36 0.62 -0.44 0.00 0.00 0.00 179.25 178.84 2q4r h ASP 160 N 0.18 1.08 0.14 0.00 3.32 -0.60 -1.98 116.42 118.57 2q4r h ASP 160 Ca 0.31 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2q4r h ASP 160 Cb 0.49 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2q4r h ASP 160 CO -0.46 0.79 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.71 2q4r h LEU 161 N 1.28 -0.16 -1.31 1.55 3.38 0.37 -0.78 115.31 119.64 2q4r h LEU 161 Ca 0.34 -0.30 0.27 0.00 0.09 0.00 0.00 57.88 58.28 2q4r h LEU 161 Cb -0.15 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.55 2q4r h LEU 161 CO -0.07 0.24 0.66 -0.09 0.09 0.00 0.00 178.44 179.27 2q4r h ARG 162 N -0.59 0.40 0.06 1.13 2.43 0.62 0.22 114.38 118.65 2q4r h ARG 162 Ca -0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2q4r h ARG 162 Cb 0.46 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2q4r h ARG 162 CO 0.03 0.26 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.50 2q4r h LYS 163 N 0.41 -0.08 -0.84 0.20 3.64 -1.29 -3.22 116.57 115.39 2q4r h LYS 163 Ca 0.61 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 60.23 2q4r h LYS 163 Cb 1.50 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.30 2q4r h LYS 163 CO -0.33 0.41 0.59 1.49 -2.27 0.00 0.00 179.45 179.34 2q4r h GLU 164 N -0.95 0.10 -1.19 1.90 4.57 -0.06 -2.28 114.58 116.68 2q4r h GLU 164 Ca -0.01 -0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.55 2q4r h GLU 164 Cb 0.53 -0.02 -0.38 0.00 -0.16 0.00 0.00 28.75 28.71 2q4r h GLU 164 CO 0.01 0.07 -0.26 1.19 -1.18 0.00 0.00 179.01 178.84 2q4r n PHE 165 N -4.35 3.07 -1.98 0.92 3.72 0.68 -5.03 117.46 114.49 2q4r n PHE 165 Ca 0.17 -2.65 -0.34 0.00 -0.05 0.00 0.00 57.45 54.59 2q4r n PHE 165 Cb 0.84 -0.56 0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 -3.68 2.60 0.00 4.37 0.00 -0.86 -2.63 121.76 121.55 2q4r s ALA 166 Ca 0.53 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2q4r s ALA 166 Cb 0.43 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2q4r s ALA 166 CO -0.10 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.06 2q4r n GLY 167 N -0.42 0.93 0.00 0.00 0.00 -1.26 -4.72 105.19 99.73 2q4r n GLY 167 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.70 0.29 -1.30 1.61 4.76 -1.08 -4.87 118.16 115.87 2q4r n LYS 168 Ca 0.00 0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 2q4r n LYS 168 Cb 0.00 -1.50 -0.04 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 0.04 1.17 3.95 0.72 0.00 -1.26 -4.98 105.19 104.83 2q4r n GLY 169 Ca 0.09 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.34 3.27 -0.07 0.99 1.43 -1.26 0.01 118.68 120.70 2q4r s LEU 170 Ca 0.00 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 2q4r s LEU 170 Cb 0.00 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 43.18 2q4r s LEU 170 CO 0.00 -1.11 0.12 -0.89 0.23 0.00 0.00 176.35 174.70 2q4r s THR 171 N -2.84 -0.21 -0.24 5.49 2.01 -0.69 -4.46 115.64 114.71 2q4r s THR 171 Ca 0.55 0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.86 2q4r s THR 171 Cb -0.10 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 2q4r s THR 171 CO 0.40 0.15 0.05 -0.36 -0.69 0.00 0.00 174.62 174.18 2q4r s PHE 172 N 2.25 3.06 -0.13 4.92 0.08 -1.26 -1.83 117.98 125.06 2q4r s PHE 172 Ca 0.04 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.59 2q4r s PHE 172 Cb -0.12 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2q4r s PHE 172 CO -0.05 -0.39 -0.18 0.45 -0.10 0.00 0.00 175.22 174.95 2q4r s SER 173 N 1.58 2.82 0.43 1.36 0.15 -0.36 -5.04 113.70 114.64 2q4r s SER 173 Ca 0.06 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2q4r s SER 173 Cb -0.15 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 2q4r s SER 173 CO 0.02 0.04 0.00 -0.38 1.20 0.00 0.00 173.24 174.12 2q4r n ILE 174 N 4.24 0.00 0.00 6.45 5.41 -1.26 -1.59 119.36 132.61 2q4r n ILE 174 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2q4r n ILE 174 Cb 0.51 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 2q4r n ILE 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2q4r n GLY 175 N 5.00 2.30 7.00 7.39 0.00 -1.26 -4.72 105.19 120.91 2q4r n GLY 175 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.93 0.34 0.06 -0.02 0.00 -1.26 -4.55 105.19 97.82 2q4r n GLY 176 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.48 1.08 0.00 1.61 6.02 -1.26 -4.87 117.38 119.48 2q4r n GLN 177 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2q4r n GLN 177 Cb 0.00 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.44 0.00 -1.12 5.09 -0.00 -1.26 -4.26 119.36 115.36 2q4r n ILE 178 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 2q4r n ILE 178 Cb 0.85 -0.49 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 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 -2.06 0.01 0.00 7.28 3.41 -1.26 -3.90 113.62 117.09 2q4r n SER 179 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2q4r n SER 179 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2q4r n SER 179 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2q4r n PHE 180 N 0.00 0.00 -3.79 7.33 1.16 -0.69 -4.46 117.46 117.01 2q4r n PHE 180 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.27 2q4r n PHE 180 Cb 0.00 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.83 2q4r n PHE 180 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2q4r s ASP 181 N 0.00 6.43 0.15 5.98 1.01 -0.62 -1.10 116.67 128.52 2q4r s ASP 181 Ca 0.00 0.44 0.11 0.00 0.71 0.00 0.00 52.55 53.81 2q4r s ASP 181 Cb 0.00 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 2q4r s ASP 181 CO 0.00 0.11 -0.25 -0.69 0.21 0.00 0.00 175.17 174.55 2q4r s VAL 182 N -1.58 2.36 -0.29 -1.27 1.01 -0.88 -1.22 120.40 118.53 2q4r s VAL 182 Ca 0.38 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 2q4r s VAL 182 Cb -0.13 -2.08 0.18 0.00 0.00 0.00 0.00 36.38 34.35 2q4r s VAL 182 CO 0.26 0.02 1.24 0.72 0.00 0.00 0.00 175.10 177.34 2q4r s PHE 183 N -1.28 -0.21 0.60 5.22 -0.12 -0.76 -1.93 117.98 119.50 2q4r s PHE 183 Ca 0.17 0.47 -0.18 0.00 -0.05 0.00 0.00 56.93 57.34 2q4r s PHE 183 Cb -0.09 0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 42.50 2q4r s PHE 183 CO 0.08 -0.10 0.32 -2.30 -0.05 0.00 0.00 175.22 173.16 2q4r n PRO 184 N 2.53 0.33 -1.40 1.99 -0.02 -1.26 -1.70 135.00 135.46 2q4r n PRO 184 Ca -0.14 0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.09 2q4r n PRO 184 Cb 0.57 -1.53 0.04 0.00 -0.02 0.00 0.00 33.50 32.55 2q4r n PRO 184 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2q4r n ASP 185 N 0.93 -1.37 0.00 2.55 8.00 0.10 -1.30 116.55 125.46 2q4r n ASP 185 Ca 0.10 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.29 2q4r n ASP 185 Cb 0.48 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.85 0.03 2.32 0.44 0.00 -1.26 -4.82 105.19 103.74 2q4r n GLY 186 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.04 1.10 -4.57 1.61 7.02 -0.42 -3.98 117.44 116.16 2q4r n TRP 187 Ca 0.00 -1.84 -0.26 0.00 -1.02 0.00 0.00 57.50 54.37 2q4r n TRP 187 Cb 0.42 -1.49 -0.10 0.00 -2.42 0.00 0.00 31.31 27.72 2q4r n TRP 187 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2q4r s ASP 188 N 0.95 3.22 0.25 -0.99 -4.77 -1.26 -4.90 116.67 109.17 2q4r s ASP 188 Ca 0.62 -1.46 0.14 0.00 -3.30 0.00 0.00 52.55 48.54 2q4r s ASP 188 Cb 0.35 -0.00 0.91 0.00 -1.09 0.00 0.00 42.92 43.08 2q4r s ASP 188 CO -0.14 -0.64 1.07 0.29 0.70 0.00 0.00 175.17 176.45 2q4r n LYS 189 N -0.91 -0.04 0.33 2.11 5.02 -1.26 0.19 118.16 123.60 2q4r n LYS 189 Ca -0.07 0.94 0.11 0.00 -2.02 0.00 0.00 58.31 57.28 2q4r n LYS 189 Cb 0.67 -1.68 0.60 0.00 -0.02 0.00 0.00 35.03 34.59 2q4r n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q4r h ARG 190 N 0.00 0.00 -0.94 1.97 3.08 -1.91 0.31 114.38 116.89 2q4r h ARG 190 Ca 0.57 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.76 2q4r h ARG 190 Cb 1.51 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.47 2q4r h ARG 190 CO -0.53 0.00 0.56 -0.92 -1.07 0.00 0.00 179.97 178.02 2q4r h TYR 191 N 0.00 1.01 -0.02 3.04 3.20 0.20 -1.11 116.97 123.28 2q4r h TYR 191 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2q4r h TYR 191 Cb 1.01 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2q4r h TYR 191 CO 0.00 0.35 0.07 0.00 -1.64 0.00 0.00 178.16 176.94 2q4r h LEU 193 N 0.00 0.43 -1.43 0.00 3.38 -1.38 -1.32 115.31 114.99 2q4r h LEU 193 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2q4r h LEU 193 Cb 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2q4r h LEU 193 CO -0.00 0.28 0.36 0.08 0.09 0.00 0.00 178.44 179.25 2q4r h ARG 194 N 0.49 0.74 0.00 1.13 0.11 -1.62 0.24 114.38 115.46 2q4r h ARG 194 Ca 0.22 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2q4r h ARG 194 Cb 0.25 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2q4r h ARG 194 CO -0.06 0.50 0.00 0.72 0.10 0.00 0.00 179.97 181.23 2q4r n HIS 195 N -4.44 0.00 0.00 4.08 8.25 -0.50 -3.90 115.22 118.72 2q4r n HIS 195 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2q4r n HIS 195 Cb 0.06 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.32 0.00 -0.28 1.59 0.24 -0.16 -4.82 118.33 113.58 2q4r n VAL 196 Ca 0.09 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.46 2q4r n VAL 196 Cb 0.17 -0.79 0.22 0.00 -1.47 0.00 0.00 33.84 31.97 2q4r n VAL 196 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2q4r h GLU 197 N 0.00 0.54 -0.21 7.34 4.11 -0.74 0.17 114.58 125.79 2q4r h GLU 197 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.46 2q4r h GLU 197 Cb 0.80 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2q4r h GLU 197 CO 0.00 0.35 0.16 -0.91 0.07 0.00 0.00 179.01 178.69 2q4r h ASN 198 N 0.55 0.00 -2.82 3.06 2.35 -1.84 -3.43 115.58 113.45 2q4r h ASN 198 Ca 0.45 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.84 2q4r h ASN 198 Cb 0.66 0.00 0.21 0.00 0.05 0.00 0.00 38.32 39.24 2q4r h ASN 198 CO -0.38 0.00 -0.18 0.47 -1.65 0.00 0.00 177.43 175.68 2q4r n ASP 199 N -4.34 -3.67 -2.85 5.81 8.00 0.59 -4.95 116.55 115.14 2q4r n ASP 199 Ca 0.02 -0.70 -0.32 0.00 0.71 0.00 0.00 54.79 54.50 2q4r n ASP 199 Cb 0.30 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 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 1.85 5.82 3.76 0.44 0.00 -1.26 -5.03 105.19 110.78 2q4r n GLY 200 Ca 0.11 -2.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.07 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 -3.78 3.61 -0.01 1.61 2.02 -1.26 -4.70 117.35 114.84 2q4r s TYR 201 Ca 0.48 0.96 -0.14 0.00 -0.37 0.00 0.00 57.07 58.00 2q4r s TYR 201 Cb 0.36 -2.47 -0.08 0.00 -0.40 0.00 0.00 41.96 39.37 2q4r s TYR 201 CO -0.23 0.35 0.74 0.87 -1.57 0.00 0.00 175.55 175.71 2q4r h LYS 202 N 5.91 -0.49 -6.03 -0.62 1.57 -0.17 -3.46 116.57 113.27 2q4r h LYS 202 Ca -0.45 0.03 -0.56 0.00 -1.87 0.00 0.00 60.65 57.81 2q4r h LYS 202 Cb 1.19 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 33.47 2q4r h LYS 202 CO 0.70 -0.33 -0.76 0.99 -0.57 0.00 0.00 179.45 179.48 2q4r s THR 203 N -3.36 2.19 -0.13 -0.16 2.01 -1.19 -4.99 115.64 110.00 2q4r s THR 203 Ca -0.07 -2.27 -0.02 0.00 0.31 0.00 0.00 61.69 59.64 2q4r s THR 203 Cb 0.01 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.40 2q4r s THR 203 CO 0.22 -0.42 0.01 -0.63 -0.69 0.00 0.00 174.62 173.11 2q4r s ILE 204 N -2.52 0.50 0.14 1.82 1.01 -1.26 -1.46 121.20 119.43 2q4r s ILE 204 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 2q4r s ILE 204 Cb -0.04 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2q4r s ILE 204 CO 0.11 0.06 0.30 -0.31 0.00 0.00 0.00 174.94 175.10 2q4r s TYR 205 N 1.90 3.49 -0.02 3.97 2.02 -1.15 -4.32 117.35 123.24 2q4r s TYR 205 Ca 0.02 0.27 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 2q4r s TYR 205 Cb -0.14 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2q4r s TYR 205 CO -0.07 0.49 -0.05 0.12 -1.57 0.00 0.00 175.55 174.47 2q4r s PHE 206 N -1.70 0.62 -0.16 2.71 5.36 -1.26 -1.48 117.98 122.06 2q4r s PHE 206 Ca 0.37 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2q4r s PHE 206 Cb -0.12 -0.50 0.03 0.00 -0.34 0.00 0.00 43.02 42.10 2q4r s PHE 206 CO 0.28 -0.10 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.79 2q4r s PHE 207 N 0.44 1.95 -0.21 10.12 0.08 -0.96 -0.11 117.98 129.29 2q4r s PHE 207 Ca -0.05 -1.18 0.00 0.00 0.12 0.00 0.00 56.93 55.82 2q4r s PHE 207 Cb -0.09 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 2q4r s PHE 207 CO -0.00 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 2q4r n GLY 208 N 4.82 -0.74 3.70 4.36 0.00 -1.10 0.92 105.19 117.16 2q4r n GLY 208 Ca -0.14 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 7.28 0.17 1.61 1.11 -1.26 -2.20 116.67 119.38 2q4r s ASP 209 Ca 0.00 1.67 0.08 0.00 0.18 0.00 0.00 52.55 54.48 2q4r s ASP 209 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2q4r s ASP 209 CO 0.00 -0.36 1.38 0.07 1.18 0.00 0.00 175.17 177.44 2q4r h LYS 210 N 6.93 0.00 0.00 8.23 2.10 -1.93 -3.45 116.57 128.45 2q4r h LYS 210 Ca -0.38 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.18 2q4r h LYS 210 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 2q4r h LYS 210 CO 0.80 0.87 -0.08 2.41 -2.00 0.00 0.00 179.45 181.44 2q4r n THR 211 N -3.47 0.00 0.00 0.07 -1.04 -1.26 -2.94 114.28 105.65 2q4r n THR 211 Ca -0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2q4r n THR 211 Cb 0.84 0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 2q4r n THR 211 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2q4r n ASN 216 N -2.35 0.00 0.00 8.00 5.15 -1.26 -4.84 115.26 119.96 2q4r n ASN 216 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2q4r n ASN 216 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 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 0.00 0.00 -4.36 1.20 -0.08 -1.26 -5.10 116.55 106.95 2q4r n ASP 217 Ca 0.00 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.83 2q4r n ASP 217 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 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 0.00 3.20 0.20 -0.67 3.76 -1.15 -4.97 115.29 115.67 2q4r s HIS 218 Ca 0.00 -1.06 -0.15 0.00 -0.15 0.00 0.00 55.06 53.70 2q4r s HIS 218 Cb 0.00 -3.57 0.21 0.00 1.11 0.00 0.00 32.58 30.33 2q4r s HIS 218 CO 0.00 -0.97 1.62 0.93 -0.85 0.00 0.00 174.74 175.47 2q4r h GLU 219 N 8.88 -0.04 -0.93 1.40 3.07 -1.91 -0.55 114.58 124.50 2q4r h GLU 219 Ca -0.29 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.73 2q4r h GLU 219 Cb 1.10 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.93 2q4r h GLU 219 CO 0.98 -0.03 0.54 0.97 -1.40 0.00 0.00 179.01 180.07 2q4r h ILE 220 N -0.04 0.77 -0.39 3.13 2.10 -1.95 0.98 117.51 122.10 2q4r h ILE 220 Ca 0.29 -0.26 -0.03 0.00 1.08 0.00 0.00 64.86 65.94 2q4r h ILE 220 Cb 0.48 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 36.14 2q4r h ILE 220 CO -0.65 0.14 0.12 0.15 -1.08 0.00 0.00 178.15 176.83 2q4r h PHE 221 N 0.76 0.63 -1.16 2.19 3.57 -1.44 -3.05 116.94 118.44 2q4r h PHE 221 Ca 0.51 -0.06 -0.67 0.00 3.53 0.00 0.00 57.97 61.28 2q4r h PHE 221 Cb 0.70 -0.18 -0.27 0.00 2.79 0.00 0.00 35.95 38.98 2q4r h PHE 221 CO -0.04 0.59 0.87 0.25 -2.23 0.00 0.00 178.31 177.75 2q4r n THR 222 N -4.61 3.56 -4.07 4.41 -2.24 0.16 -4.25 114.28 107.24 2q4r n THR 222 Ca -0.01 -3.10 -0.36 0.00 -2.27 0.00 0.00 64.05 58.31 2q4r n THR 222 Cb 0.18 -1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 67.13 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 -1.48 5.90 0.00 3.42 -1.08 -0.16 -4.93 116.67 118.35 2q4r s ASP 223 Ca 0.60 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.95 2q4r s ASP 223 Cb 0.47 -1.84 0.00 0.00 -1.46 0.00 0.00 42.92 40.10 2q4r s ASP 223 CO -0.09 0.38 0.26 -0.81 0.52 0.00 0.00 175.17 175.42 2q4r n PRO 224 N 2.16 0.34 0.00 4.34 -0.04 -1.26 -2.04 135.00 138.50 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 0.54 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.09 5.37 0.00 0.54 1.74 -1.26 -5.19 116.66 117.76 2q4r n ARG 225 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2q4r n ARG 225 Cb 0.04 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.77 0.00 -3.60 0.55 -2.24 -0.87 -4.35 114.28 103.00 2q4r n THR 226 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2q4r n THR 226 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.43 -0.29 3.38 0.00 -1.26 -4.80 107.32 103.93 2q4r s GLY 228 Ca 0.00 2.03 -0.00 0.00 0.00 0.00 0.00 44.72 46.75 2q4r s GLY 228 CO 0.00 1.53 0.31 -0.19 0.00 0.00 0.00 173.10 174.75 2q4r s TYR 229 N -0.15 -0.54 -0.01 1.90 2.02 0.84 -4.91 117.35 116.50 2q4r s TYR 229 Ca -0.02 -0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 2q4r s TYR 229 Cb -0.03 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 2q4r s TYR 229 CO 0.01 -0.91 0.92 -1.54 -1.57 0.00 0.00 175.55 172.46 2q4r s SER 230 N 2.39 7.29 0.31 2.29 1.04 -1.26 -2.70 113.70 123.05 2q4r s SER 230 Ca 0.09 1.56 0.09 0.00 0.48 0.00 0.00 55.95 58.17 2q4r s SER 230 Cb -0.14 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 2q4r s SER 230 CO -0.31 -0.23 0.03 0.68 0.98 0.00 0.00 173.24 174.39 2q4r s VAL 231 N 0.96 3.07 -2.04 5.02 -7.23 -0.94 -4.90 120.40 114.35 2q4r s VAL 231 Ca 0.49 -1.90 0.18 0.00 -1.81 0.00 0.00 61.98 58.94 2q4r s VAL 231 Cb -0.20 -2.84 0.08 0.00 0.56 0.00 0.00 36.38 33.98 2q4r s VAL 231 CO 0.26 -0.28 1.02 0.35 -0.31 0.00 0.00 175.10 176.14 2q4r n THR 232 N -0.96 0.00 0.00 5.32 -2.24 -1.26 -4.74 114.28 110.40 2q4r n THR 232 Ca -0.05 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2q4r n THR 232 Cb 0.60 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 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 0.58 0.00 0.15 6.98 0.00 -1.22 -4.97 120.51 122.03 2q4r n ALA 233 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.61 2q4r n ALA 233 Cb 0.43 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.44 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 0.19 -0.69 0.00 0.11 -1.45 -0.81 132.00 129.36 2q4r h PRO 234 Ca 0.00 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.20 2q4r h PRO 234 Cb 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 2q4r h PRO 234 CO 0.00 0.13 0.46 0.93 -0.21 0.00 0.00 178.00 179.31 2q4r h GLU 235 N 0.20 0.52 0.03 1.05 3.07 -1.90 -2.22 114.58 115.33 2q4r h GLU 235 Ca 0.07 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 2q4r h GLU 235 Cb 0.05 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2q4r h GLU 235 CO -0.01 0.34 -0.69 -0.44 -1.40 0.00 0.00 179.01 176.81 2q4r h ASP 236 N 0.53 0.10 -0.77 1.42 5.19 -1.54 -2.80 116.42 118.56 2q4r h ASP 236 Ca 0.32 -0.82 0.17 0.00 -0.62 0.00 0.00 57.03 56.09 2q4r h ASP 236 Cb 0.54 -0.03 -0.14 0.00 0.18 0.00 0.00 39.33 39.88 2q4r h ASP 236 CO -0.11 1.29 -0.02 0.74 -3.12 0.00 0.00 179.24 178.02 2q4r h THR 237 N -0.83 0.31 -0.28 0.35 2.02 -1.07 0.21 112.91 113.62 2q4r h THR 237 Ca -0.17 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 2q4r h THR 237 Cb 1.28 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2q4r h THR 237 CO -0.04 0.02 -0.44 0.03 0.37 0.00 0.00 175.52 175.45 2q4r h ARG 238 N 0.08 0.79 -0.46 6.66 3.08 -1.55 -2.40 114.38 120.58 2q4r h ARG 238 Ca 0.42 -0.48 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2q4r h ARG 238 Cb 0.73 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 2q4r h ARG 238 CO -0.70 1.11 0.18 -0.09 -1.07 0.00 0.00 179.97 179.41 2q4r h ARG 239 N 0.55 0.36 -0.08 0.04 2.43 -0.62 -0.33 114.38 116.73 2q4r h ARG 239 Ca 0.02 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 2q4r h ARG 239 Cb 1.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2q4r h ARG 239 CO 0.10 0.24 -0.63 0.82 -1.51 0.00 0.00 179.97 178.99 2q4r h ILE 240 N 0.37 1.38 -0.39 1.20 2.04 -0.73 -2.88 117.51 118.51 2q4r h ILE 240 Ca 0.21 -2.02 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 2q4r h ILE 240 Cb 0.19 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2q4r h ILE 240 CO -0.20 0.60 -0.02 0.00 0.00 0.00 0.00 178.15 178.53 2q4r h GLU 242 N 0.59 0.00 0.00 0.00 4.57 -0.91 0.41 114.58 119.24 2q4r h GLU 242 Ca 0.12 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2q4r h GLU 242 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2q4r h GLU 242 CO 0.02 0.16 -0.39 1.25 -1.18 0.00 0.00 179.01 178.86 2q4r h LEU 243 N 0.00 0.00 -0.89 1.64 5.85 -0.88 -3.36 115.31 117.67 2q4r h LEU 243 Ca -0.00 -0.71 -0.00 0.00 0.84 0.00 0.00 57.88 58.01 2q4r h LEU 243 Cb 0.44 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2q4r h LEU 243 CO 0.02 1.08 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.13 2q4r h LEU 244 N -1.00 0.00 -8.36 2.25 4.07 -0.22 -3.45 115.31 108.60 2q4r h LEU 244 Ca -0.10 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.60 2q4r h LEU 244 Cb 0.97 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.53 2q4r h LEU 244 CO -0.06 0.01 -0.72 -0.36 -1.08 0.00 0.00 178.44 176.23 2q4r s PHE 245 N -3.49 0.87 0.00 1.13 0.08 0.14 -5.03 117.98 111.68 2q4r s PHE 245 Ca 0.03 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.36 2q4r s PHE 245 Cb 0.07 -0.50 0.00 0.00 -0.57 0.00 0.00 43.02 42.03 2q4r s PHE 245 CO 0.59 -0.09 0.00 -1.13 -0.10 0.00 0.00 175.22 174.49