#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 1.32 3.75 0.55 0.00 -1.26 -4.40 105.19 105.15 2q4r n GLY 5 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 2.42 0.02 1.61 0.02 -1.26 -4.93 135.00 132.87 2q4r s PRO 6 Ca 0.00 1.45 -0.27 0.00 0.02 0.00 0.00 61.00 62.20 2q4r s PRO 6 Cb 0.00 -1.90 0.09 0.00 0.02 0.00 0.00 34.50 32.71 2q4r s PRO 6 CO 0.00 -1.56 0.77 0.00 -0.33 0.00 0.00 177.00 175.88 2q4r s ALA 7 N -2.37 -1.75 0.04 -1.55 0.00 -1.26 -2.59 121.76 112.28 2q4r s ALA 7 Ca 0.68 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.65 2q4r s ALA 7 Cb -0.22 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2q4r s ALA 7 CO 0.46 -0.61 -0.12 -1.17 0.00 0.00 0.00 175.76 174.32 2q4r s LEU 8 N -2.16 2.19 -0.15 0.00 2.96 -1.08 -2.92 118.68 117.52 2q4r s LEU 8 Ca -0.00 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2q4r s LEU 8 Cb -0.01 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.23 2q4r s LEU 8 CO -0.06 -0.03 -0.20 0.00 -1.32 0.00 0.00 176.35 174.75 2q4r s LEU 10 N 0.96 2.59 0.16 0.00 1.43 0.07 0.20 118.68 124.09 2q4r s LEU 10 Ca -0.03 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2q4r s LEU 10 Cb -0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2q4r s LEU 10 CO -0.05 0.10 -0.10 -0.36 0.23 0.00 0.00 176.35 176.17 2q4r s PHE 11 N 0.75 2.64 0.55 0.29 0.08 -0.08 -0.55 117.98 121.66 2q4r s PHE 11 Ca -0.06 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.67 2q4r s PHE 11 Cb -0.15 -1.31 -0.05 0.00 -0.57 0.00 0.00 43.02 40.93 2q4r s PHE 11 CO 0.01 0.49 0.94 0.34 -0.10 0.00 0.00 175.22 176.90 2q4r s ASP 12 N -2.68 6.34 0.00 1.36 3.68 -0.53 -0.13 116.67 124.71 2q4r s ASP 12 Ca 0.24 1.30 0.00 0.00 2.13 0.00 0.00 52.55 56.22 2q4r s ASP 12 Cb -0.09 -2.41 0.00 0.00 -1.45 0.00 0.00 42.92 38.97 2q4r s ASP 12 CO 0.15 -0.70 0.00 1.33 0.13 0.00 0.00 175.17 176.07 2q4r n VAL 13 N -2.27 0.00 -1.68 1.11 0.24 -1.15 -4.05 118.33 110.53 2q4r n VAL 13 Ca 0.04 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 61.89 2q4r n VAL 13 Cb 0.54 -0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.52 3.43 0.00 -1.34 2.03 -1.26 -1.85 116.55 117.05 2q4r n ASP 14 Ca 0.00 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.34 2q4r n ASP 14 Cb 0.00 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 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 3.86 2.86 0.11 0.27 0.00 -0.34 -4.80 105.19 107.14 2q4r n GLY 15 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 0.99 0.00 2.61 2.02 -1.58 -3.35 112.91 113.61 2q4r h THR 16 Ca 0.00 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2q4r h THR 16 Cb 0.00 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2q4r h THR 16 CO 0.00 0.45 -0.55 0.18 0.37 0.00 0.00 175.52 175.97 2q4r n LEU 17 N -4.30 0.47 -4.15 2.58 4.77 -0.98 -3.64 117.00 111.75 2q4r n LEU 17 Ca -0.29 -0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 55.11 2q4r n LEU 17 Cb 0.72 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 2q4r n LEU 17 CO 0.25 0.12 -0.23 0.42 -1.33 0.00 0.00 177.39 176.62 2q4r s THR 18 N -2.03 0.05 0.27 -5.08 -4.23 -1.25 -4.62 115.64 98.75 2q4r s THR 18 Ca 0.04 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.44 2q4r s THR 18 Cb 0.08 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.59 2q4r s THR 18 CO 0.43 -0.22 0.80 0.00 -0.54 0.00 0.00 174.62 175.09 2q4r s ALA 19 N -4.09 3.32 0.38 3.99 0.00 -1.26 -1.19 121.76 122.91 2q4r s ALA 19 Ca 0.30 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 2q4r s ALA 19 Cb 0.07 -2.94 -0.13 0.00 0.00 0.00 0.00 23.12 20.12 2q4r s ALA 19 CO 0.07 0.27 0.65 -2.30 0.00 0.00 0.00 175.76 174.44 2q4r n PRO 20 N 0.51 0.69 -0.54 0.00 -0.02 -1.26 -0.69 135.00 133.69 2q4r n PRO 20 Ca -0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2q4r n PRO 20 Cb 0.51 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 2q4r n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2q4r n ARG 21 N 0.61 -0.74 -4.41 -0.52 1.74 -1.26 -4.90 116.66 107.18 2q4r n ARG 21 Ca 0.12 0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 57.10 2q4r n ARG 21 Cb 0.37 -4.01 -0.09 0.00 -1.02 0.00 0.00 32.46 27.71 2q4r n ARG 21 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2q4r s GLN 22 N -1.08 1.89 0.34 5.56 -0.21 0.13 -5.13 119.66 121.17 2q4r s GLN 22 Ca 0.00 -1.67 0.06 0.00 0.02 0.00 0.00 55.36 53.77 2q4r s GLN 22 Cb 0.00 -1.89 -0.01 0.00 1.00 0.00 0.00 33.01 32.11 2q4r s GLN 22 CO 0.00 0.32 0.48 -1.59 -2.12 0.00 0.00 175.29 172.38 2q4r s LYS 23 N -3.58 3.12 0.39 2.91 -2.85 -1.26 -4.29 119.74 114.18 2q4r s LYS 23 Ca 0.31 -0.98 -0.27 0.00 -1.00 0.00 0.00 55.97 54.03 2q4r s LYS 23 Cb -0.05 -2.81 -0.11 0.00 -2.06 0.00 0.00 37.83 32.81 2q4r s LYS 23 CO 0.17 0.05 1.32 1.51 0.10 0.00 0.00 175.35 178.50 2q4r n ILE 24 N -1.66 2.27 -2.17 3.79 3.06 0.21 -4.65 119.36 120.20 2q4r n ILE 24 Ca -0.00 -0.50 -0.26 0.00 -2.50 0.00 0.00 62.75 59.49 2q4r n ILE 24 Cb 0.58 -1.65 0.07 0.00 0.54 0.00 0.00 39.64 39.18 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 -1.15 2.24 0.07 9.51 2.01 -1.26 -4.97 115.64 122.10 2q4r s THR 25 Ca 0.58 -0.24 -0.26 0.00 0.31 0.00 0.00 61.69 62.07 2q4r s THR 25 Cb -0.52 -3.00 -0.17 0.00 0.01 0.00 0.00 72.50 68.82 2q4r s THR 25 CO 0.61 0.00 1.64 0.50 -0.69 0.00 0.00 174.62 176.67 2q4r h LYS 26 N -0.65 -0.29 -1.71 4.92 3.11 -2.01 -2.80 116.57 117.14 2q4r h LYS 26 Ca -0.44 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 2q4r h LYS 26 Cb 1.32 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.61 2q4r h LYS 26 CO 0.61 -0.15 0.00 0.39 -2.81 0.00 0.00 179.45 177.49 2q4r n GLU 27 N -5.19 0.00 0.00 1.90 1.02 -1.26 -1.65 120.64 115.46 2q4r n GLU 27 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2q4r n GLU 27 Cb 0.16 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2q4r n GLU 27 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2q4r n ASP 29 N 0.98 0.00 0.06 1.62 10.43 -1.06 -2.77 116.55 125.81 2q4r n ASP 29 Ca 0.00 0.00 0.04 0.00 2.57 0.00 0.00 54.79 57.40 2q4r n ASP 29 Cb 0.00 0.00 0.19 0.00 1.84 0.00 0.00 41.12 43.15 2q4r n ASP 29 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2q4r n ASP 30 N 0.00 0.18 -0.02 -2.24 8.00 -0.66 -1.73 116.55 120.08 2q4r n ASP 30 Ca 0.00 0.51 -0.01 0.00 0.71 0.00 0.00 54.79 56.00 2q4r n ASP 30 Cb 0.00 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 40.58 2q4r n ASP 30 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2q4r h PHE 31 N 0.00 -0.06 -0.34 1.24 3.57 -1.78 -2.85 116.94 116.72 2q4r h PHE 31 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2q4r h PHE 31 Cb 0.22 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2q4r h PHE 31 CO 0.00 -0.04 0.23 -0.07 -2.23 0.00 0.00 178.31 176.20 2q4r h LEU 32 N -0.97 0.27 -0.45 0.59 3.38 -1.64 0.46 115.31 116.94 2q4r h LEU 32 Ca -0.01 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2q4r h LEU 32 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2q4r h LEU 32 CO 0.01 0.18 -0.76 1.56 0.09 0.00 0.00 178.44 179.52 2q4r h GLN 33 N 0.31 0.17 0.12 1.13 1.08 -1.51 -1.46 115.11 114.96 2q4r h GLN 33 Ca 0.14 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2q4r h GLN 33 Cb 0.19 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2q4r h GLN 33 CO -0.03 0.85 -0.06 -0.22 -0.95 0.00 0.00 178.83 178.42 2q4r h LYS 34 N 0.11 -0.16 -0.78 1.46 3.64 -0.83 -3.26 116.57 116.76 2q4r h LYS 34 Ca -0.02 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.51 2q4r h LYS 34 Cb 1.33 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 2q4r h LYS 34 CO 0.11 0.32 0.34 1.25 -2.27 0.00 0.00 179.45 179.20 2q4r h LEU 35 N -0.79 0.34 -0.97 5.20 6.46 -0.20 0.18 115.31 125.52 2q4r h LEU 35 Ca -0.02 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2q4r h LEU 35 Cb 0.55 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2q4r h LEU 35 CO 0.03 0.13 0.22 -1.14 -0.62 0.00 0.00 178.44 177.06 2q4r n ARG 36 N -4.97 0.10 -0.22 1.25 0.63 -0.55 -1.60 116.66 111.30 2q4r n ARG 36 Ca 0.15 0.58 0.01 0.00 -0.92 0.00 0.00 57.85 57.67 2q4r n ARG 36 Cb 0.42 -2.04 0.25 0.00 0.45 0.00 0.00 32.46 31.54 2q4r n ARG 36 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2q4r h GLN 37 N 0.00 0.98 -0.10 -0.14 4.20 -0.71 -3.06 115.11 116.28 2q4r h GLN 37 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2q4r h GLN 37 Cb 0.44 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2q4r h GLN 37 CO 0.00 0.65 0.00 0.36 -0.67 0.00 0.00 178.83 179.17 2q4r n LYS 38 N -4.43 1.37 -3.61 1.46 0.00 -0.63 -5.01 118.16 107.32 2q4r n LYS 38 Ca 0.09 -1.53 -0.10 0.00 -0.00 0.00 0.00 58.31 56.76 2q4r n LYS 38 Cb 0.05 -1.29 -0.06 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 -1.17 0.00 0.37 0.58 2.07 -1.16 -4.91 121.20 116.99 2q4r s ILE 39 Ca 0.20 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.15 2q4r s ILE 39 Cb 0.13 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.61 2q4r s ILE 39 CO 0.19 0.00 1.49 -0.54 -1.91 0.00 0.00 174.94 174.16 2q4r s LYS 40 N -0.43 4.12 -0.13 3.50 -0.14 -1.15 -4.12 119.74 121.40 2q4r s LYS 40 Ca 0.01 2.55 -0.00 0.00 -1.36 0.00 0.00 55.97 57.17 2q4r s LYS 40 Cb -0.03 -2.98 0.03 0.00 -1.68 0.00 0.00 37.83 33.17 2q4r s LYS 40 CO -0.02 -0.52 -0.08 0.96 -0.76 0.00 0.00 175.35 174.93 2q4r s ILE 41 N -1.02 1.09 0.42 2.17 -4.36 -1.26 -0.98 121.20 117.27 2q4r s ILE 41 Ca 0.54 -0.39 0.07 0.00 -0.26 0.00 0.00 60.65 60.60 2q4r s ILE 41 Cb -0.46 -1.14 -0.06 0.00 1.25 0.00 0.00 42.46 42.05 2q4r s ILE 41 CO 0.61 0.32 0.09 -0.83 0.24 0.00 0.00 174.94 175.38 2q4r s GLY 42 N 1.67 2.46 0.02 6.27 0.00 0.55 -0.04 107.32 118.25 2q4r s GLY 42 Ca 0.04 -2.11 0.02 0.00 0.00 0.00 0.00 44.72 42.67 2q4r s GLY 42 CO -0.08 -2.02 -0.06 -1.34 0.00 0.00 0.00 173.10 169.59 2q4r s VAL 43 N -2.67 0.45 0.03 1.40 -7.23 -0.63 -0.90 120.40 110.85 2q4r s VAL 43 Ca 0.36 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2q4r s VAL 43 Cb 0.07 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 2q4r s VAL 43 CO 0.19 -0.22 -0.04 0.54 -0.31 0.00 0.00 175.10 175.26 2q4r s VAL 44 N -0.95 0.21 -0.08 1.32 0.11 0.81 -0.18 120.40 121.65 2q4r s VAL 44 Ca -0.06 -1.23 -0.31 0.00 -2.93 0.00 0.00 61.98 57.45 2q4r s VAL 44 Cb -0.07 -0.71 0.12 0.00 -1.53 0.00 0.00 36.38 34.18 2q4r s VAL 44 CO 0.00 -0.64 1.07 -0.83 -3.33 0.00 0.00 175.10 171.37 2q4r s GLY 45 N -1.95 -0.37 0.14 6.54 0.00 -0.74 -2.91 107.32 108.03 2q4r s GLY 45 Ca -0.08 1.18 0.27 0.00 0.00 0.00 0.00 44.72 46.10 2q4r s GLY 45 CO -0.04 0.38 1.82 0.61 0.00 0.00 0.00 173.10 175.88 2q4r n GLY 46 N -0.21 -1.63 3.03 0.20 0.00 -1.26 -0.88 105.19 104.43 2q4r n GLY 46 Ca -0.04 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2q4r n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q4r n SER 47 N -2.02 0.15 -4.94 1.61 7.64 -1.26 -3.84 113.62 110.97 2q4r n SER 47 Ca 0.06 -1.42 -0.25 0.00 1.01 0.00 0.00 58.87 58.27 2q4r n SER 47 Cb 0.40 -0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 62.80 2q4r n SER 47 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2q4r s ASP 48 N -4.77 6.32 0.33 6.43 1.47 -1.26 -0.22 116.67 124.96 2q4r s ASP 48 Ca 0.59 0.48 0.11 0.00 1.18 0.00 0.00 52.55 54.91 2q4r s ASP 48 Cb -0.02 -2.05 0.94 0.00 -0.34 0.00 0.00 42.92 41.45 2q4r s ASP 48 CO 0.41 -0.27 1.72 0.15 0.68 0.00 0.00 175.17 177.86 2q4r h PHE 49 N 0.93 0.96 -0.37 2.11 3.57 -1.97 0.27 116.94 122.45 2q4r h PHE 49 Ca -0.49 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 2q4r h PHE 49 Cb 1.21 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2q4r h PHE 49 CO 0.52 0.03 0.04 0.93 -2.23 0.00 0.00 178.31 177.60 2q4r h GLU 50 N 0.53 0.63 0.00 1.11 3.07 -1.98 0.92 114.58 118.85 2q4r h GLU 50 Ca 0.65 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 2q4r h GLU 50 Cb 1.32 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2q4r h GLU 50 CO -0.47 0.71 0.00 -0.22 -1.40 0.00 0.00 179.01 177.62 2q4r h LYS 51 N 0.46 0.00 0.12 2.33 1.63 -0.98 -1.39 116.57 118.73 2q4r h LYS 51 Ca 0.11 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.55 2q4r h LYS 51 Cb 0.40 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2q4r h LYS 51 CO 0.01 0.00 -1.94 0.28 -3.45 0.00 0.00 179.45 174.35 2q4r h VAL 52 N 0.00 0.68 -0.47 2.00 2.07 0.09 -3.15 116.25 117.47 2q4r h VAL 52 Ca 0.00 -2.40 0.03 0.00 0.82 0.00 0.00 66.70 65.15 2q4r h VAL 52 Cb 0.42 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 2q4r h VAL 52 CO 0.00 0.85 0.25 1.56 0.02 0.00 0.00 177.57 180.25 2q4r h GLN 53 N 0.07 0.48 0.00 1.57 4.20 0.14 0.50 115.11 122.08 2q4r h GLN 53 Ca -0.40 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.24 2q4r h GLN 53 Cb 2.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.70 2q4r h GLN 53 CO 0.10 0.32 -0.17 1.05 -0.67 0.00 0.00 178.83 179.45 2q4r h GLU 54 N 0.49 0.00 0.00 1.46 4.11 -1.41 0.51 114.58 119.75 2q4r h GLU 54 Ca 0.20 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.60 2q4r h GLU 54 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2q4r h GLU 54 CO -0.13 0.17 -0.15 1.96 0.07 0.00 0.00 179.01 180.93 2q4r h GLN 55 N 0.00 0.00 -0.33 1.06 4.20 -1.00 -3.41 115.11 115.63 2q4r h GLN 55 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2q4r h GLN 55 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2q4r h GLN 55 CO 0.02 0.83 0.00 1.28 -0.67 0.00 0.00 178.83 180.29 2q4r n LEU 56 N -4.62 3.06 0.00 1.46 4.77 0.16 0.68 117.00 122.51 2q4r n LEU 56 Ca -0.11 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 2q4r n LEU 56 Cb 0.42 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2q4r n LEU 56 CO 0.27 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2q4r n GLY 57 N 0.37 1.49 0.54 -0.72 0.00 0.18 -4.57 105.19 102.47 2q4r n GLY 57 Ca 0.13 -1.49 0.37 0.00 0.00 0.00 0.00 46.02 45.03 2q4r n GLY 57 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2q4r h ASN 58 N 0.00 0.10 -0.48 1.61 -1.24 -1.89 0.87 115.58 114.55 2q4r h ASN 58 Ca 0.00 0.03 -0.13 0.00 0.71 0.00 0.00 56.30 56.91 2q4r h ASN 58 Cb 0.00 0.02 -0.08 0.00 0.73 0.00 0.00 38.32 38.99 2q4r h ASN 58 CO 0.00 -0.01 0.17 -0.90 -1.29 0.00 0.00 177.43 175.40 2q4r n ASP 59 N -4.27 3.84 -0.33 1.15 5.68 -1.26 -4.68 116.55 116.67 2q4r n ASP 59 Ca 0.30 -2.78 0.24 0.00 -0.50 0.00 0.00 54.79 52.06 2q4r n ASP 59 Cb 1.35 -0.66 0.46 0.00 -1.14 0.00 0.00 41.12 41.13 2q4r n ASP 59 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2q4r h VAL 60 N 1.81 0.08 0.00 2.12 3.04 -1.06 0.30 116.25 122.54 2q4r h VAL 60 Ca 0.16 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 2q4r h VAL 60 Cb 1.76 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2q4r h VAL 60 CO 0.48 0.01 0.00 1.33 -1.01 0.00 0.00 177.57 178.38 2q4r n VAL 61 N -5.29 1.28 -0.02 1.51 0.24 -1.26 -2.05 118.33 112.74 2q4r n VAL 61 Ca 0.31 0.54 -0.01 0.00 -2.04 0.00 0.00 64.34 63.14 2q4r n VAL 61 Cb 1.04 -1.50 -0.13 0.00 -1.47 0.00 0.00 33.84 31.78 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 -1.96 0.65 0.11 7.34 1.02 0.11 -4.13 120.64 123.79 2q4r n GLU 62 Ca 0.00 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 2q4r n GLU 62 Cb 0.07 -1.65 0.16 0.00 -0.02 0.00 0.00 31.44 30.00 2q4r n GLU 62 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2q4r h LYS 63 N 0.00 0.00 -5.83 3.49 1.57 -1.42 -3.46 116.57 110.93 2q4r h LYS 63 Ca -0.26 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.99 2q4r h LYS 63 Cb 1.70 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.77 2q4r h LYS 63 CO 0.03 0.00 -0.82 0.71 -0.57 0.00 0.00 179.45 178.80 2q4r s TYR 64 N -3.22 1.60 0.24 -1.35 2.02 -1.12 -4.82 117.35 110.71 2q4r s TYR 64 Ca 0.05 -0.37 0.12 0.00 -0.37 0.00 0.00 57.07 56.50 2q4r s TYR 64 Cb 0.10 -0.94 0.41 0.00 -0.40 0.00 0.00 41.96 41.12 2q4r s TYR 64 CO 0.71 0.09 1.63 -0.44 -1.57 0.00 0.00 175.55 175.96 2q4r h ASP 65 N 4.79 0.00 -4.05 2.29 3.32 -0.76 -3.44 116.42 118.57 2q4r h ASP 65 Ca -0.41 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.30 2q4r h ASP 65 Cb 1.17 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.44 2q4r h ASP 65 CO 0.43 0.57 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.46 2q4r s TYR 66 N -3.58 0.57 -0.08 4.55 2.02 -1.24 0.89 117.35 120.49 2q4r s TYR 66 Ca -0.01 -0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2q4r s TYR 66 Cb 0.12 -0.36 0.03 0.00 -0.40 0.00 0.00 41.96 41.34 2q4r s TYR 66 CO 0.75 -0.02 -0.04 0.08 -1.57 0.00 0.00 175.55 174.75 2q4r s VAL 67 N -0.32 0.65 -0.64 0.71 1.01 -0.89 -1.61 120.40 119.31 2q4r s VAL 67 Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2q4r s VAL 67 Cb -0.03 -0.73 0.17 0.00 0.00 0.00 0.00 36.38 35.78 2q4r s VAL 67 CO -0.00 0.30 0.47 0.49 0.00 0.00 0.00 175.10 176.35 2q4r n PHE 68 N 4.86 2.36 -1.71 5.22 3.72 0.75 -1.22 117.46 131.45 2q4r n PHE 68 Ca -0.12 -4.10 -0.31 0.00 -0.05 0.00 0.00 57.45 52.87 2q4r n PHE 68 Cb 0.50 -0.43 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.17 3.11 -1.44 -1.08 0.02 -0.95 -1.79 135.00 131.71 2q4r s PRO 69 Ca 0.27 0.97 -0.04 0.00 0.02 0.00 0.00 61.00 62.21 2q4r s PRO 69 Cb -0.02 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.52 2q4r s PRO 69 CO -0.17 -0.96 0.61 0.39 -0.33 0.00 0.00 177.00 176.54 2q4r n GLU 70 N -2.86 -4.01 -3.63 5.54 1.02 0.69 -1.64 120.64 115.75 2q4r n GLU 70 Ca 0.07 0.48 -0.27 0.00 -0.02 0.00 0.00 57.16 57.42 2q4r n GLU 70 Cb 0.53 -4.90 0.00 0.00 -0.02 0.00 0.00 31.44 27.06 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 -2.94 -4.18 0.00 1.62 3.02 -0.06 -1.31 115.26 111.41 2q4r n ASN 71 Ca -0.21 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 2q4r n ASN 71 Cb 0.64 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 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 -1.38 2.50 0.40 7.41 0.00 -0.65 -3.10 105.19 110.36 2q4r n GLY 72 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 0.35 -8.62 0.99 4.07 -1.20 -3.29 115.31 107.61 2q4r h LEU 73 Ca 0.00 0.03 -0.65 0.00 0.08 0.00 0.00 57.88 57.34 2q4r h LEU 73 Cb 0.00 -0.03 -0.25 0.00 1.08 0.00 0.00 40.66 41.46 2q4r h LEU 73 CO 0.00 0.14 -0.71 -0.69 -1.08 0.00 0.00 178.44 176.11 2q4r s VAL 74 N -5.36 3.54 -0.03 1.22 1.01 -1.07 -1.69 120.40 118.01 2q4r s VAL 74 Ca -0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2q4r s VAL 74 Cb 0.22 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 34.05 2q4r s VAL 74 CO 0.78 0.47 0.08 0.00 0.00 0.00 0.00 175.10 176.43 2q4r s ALA 75 N 0.84 -0.17 -0.05 5.51 0.00 -1.08 -2.24 121.76 124.57 2q4r s ALA 75 Ca -0.02 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.31 2q4r s ALA 75 Cb -0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2q4r s ALA 75 CO 0.01 -0.07 -0.19 0.71 0.00 0.00 0.00 175.76 176.22 2q4r s TYR 76 N 0.39 2.56 -0.12 0.00 2.02 -0.36 -0.23 117.35 121.61 2q4r s TYR 76 Ca -0.03 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2q4r s TYR 76 Cb -0.04 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2q4r s TYR 76 CO -0.01 0.04 -0.18 0.21 -1.57 0.00 0.00 175.55 174.03 2q4r s LYS 77 N -0.54 2.57 0.00 -0.62 2.20 -0.56 -2.09 119.74 120.70 2q4r s LYS 77 Ca 0.07 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2q4r s LYS 77 Cb -0.11 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2q4r s LYS 77 CO 0.01 -0.05 0.00 -0.25 -0.36 0.00 0.00 175.35 174.70 2q4r n ASP 78 N 4.16 0.00 0.00 1.43 10.43 0.26 -1.53 116.55 131.29 2q4r n ASP 78 Ca -0.19 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.17 2q4r n ASP 78 Cb 0.51 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.47 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 0.00 -0.06 3.88 0.44 0.00 -1.26 -4.78 105.19 103.42 2q4r n GLY 79 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.25 -0.54 1.61 2.36 -0.59 -4.90 119.74 120.93 2q4r s LYS 80 Ca 0.00 -0.62 -0.26 0.00 -2.55 0.00 0.00 55.97 52.54 2q4r s LYS 80 Cb 0.00 -2.89 -0.05 0.00 -1.05 0.00 0.00 37.83 33.84 2q4r s LYS 80 CO 0.00 0.55 2.20 -0.51 1.55 0.00 0.00 175.35 179.14 2q4r s LEU 81 N -2.88 3.35 0.00 5.43 1.02 -1.26 -1.50 118.68 122.85 2q4r s LEU 81 Ca 0.33 0.77 0.00 0.00 0.02 0.00 0.00 54.13 55.25 2q4r s LEU 81 Cb -0.12 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.58 2q4r s LEU 81 CO 0.26 -2.71 0.03 -0.11 0.02 0.00 0.00 176.35 173.85 2q4r n LEU 82 N 14.77 0.20 -4.40 1.79 7.94 0.67 -4.93 117.00 133.04 2q4r n LEU 82 Ca 0.31 0.03 -0.25 0.00 -1.11 0.00 0.00 56.01 54.99 2q4r n LEU 82 Cb 0.54 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.37 2q4r n LEU 82 CO 0.71 0.00 -0.51 0.00 -1.11 0.00 0.00 177.39 176.47 2q4r s ARG 84 N -2.77 1.03 -0.07 0.00 3.52 -1.25 -2.64 118.95 116.77 2q4r s ARG 84 Ca 0.20 -0.15 -0.07 0.00 -0.13 0.00 0.00 55.73 55.58 2q4r s ARG 84 Cb -0.07 -1.04 0.02 0.00 -1.56 0.00 0.00 34.95 32.30 2q4r s ARG 84 CO 0.09 -0.11 0.20 -1.14 -0.81 0.00 0.00 175.30 173.53 2q4r s GLN 85 N 1.11 0.24 0.14 5.12 2.00 -0.68 -5.04 119.66 122.54 2q4r s GLN 85 Ca -0.08 0.27 0.02 0.00 -2.00 0.00 0.00 55.36 53.57 2q4r s GLN 85 Cb -0.14 0.12 -0.04 0.00 0.80 0.00 0.00 33.01 33.74 2q4r s GLN 85 CO -0.01 -0.03 -0.05 0.54 -0.50 0.00 0.00 175.29 175.24 2q4r s ASN 86 N 0.07 1.31 0.23 6.67 2.20 -1.26 -4.69 114.94 119.47 2q4r s ASN 86 Ca -0.00 -1.07 -0.07 0.00 -0.94 0.00 0.00 52.86 50.78 2q4r s ASN 86 Cb -0.02 0.08 0.29 0.00 -2.00 0.00 0.00 41.25 39.60 2q4r s ASN 86 CO 0.00 -0.48 1.86 -0.29 -2.94 0.00 0.00 177.10 175.26 2q4r h ILE 87 N 2.82 1.08 -0.71 0.54 2.10 0.50 -2.36 117.51 121.48 2q4r h ILE 87 Ca -0.36 -0.34 -0.00 0.00 1.08 0.00 0.00 64.86 65.24 2q4r h ILE 87 Cb 1.19 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.89 2q4r h ILE 87 CO 0.64 0.18 0.42 0.06 -1.08 0.00 0.00 178.15 178.37 2q4r h GLN 88 N 0.98 0.96 0.24 2.19 -0.00 -1.90 0.96 115.11 118.54 2q4r h GLN 88 Ca 0.35 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.90 2q4r h GLN 88 Cb 0.10 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.38 2q4r h GLN 88 CO -0.15 0.68 -0.11 0.77 -0.00 0.00 0.00 178.83 180.02 2q4r h SER 89 N 0.98 -0.27 0.15 0.06 0.02 -1.82 -0.03 113.55 112.63 2q4r h SER 89 Ca 0.26 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2q4r h SER 89 Cb -0.03 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2q4r h SER 89 CO -0.05 0.07 -0.07 -0.74 -1.14 0.00 0.00 176.83 174.90 2q4r h HIS 90 N -0.63 -0.18 -0.00 3.45 -0.00 -1.28 -3.22 115.15 113.28 2q4r h HIS 90 Ca -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2q4r h HIS 90 Cb 0.45 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2q4r h HIS 90 CO 0.02 0.11 -0.08 1.28 -0.00 0.00 0.00 177.93 179.26 2q4r n LEU 91 N -5.05 0.55 -1.71 0.26 4.77 0.31 -5.04 117.00 111.10 2q4r n LEU 91 Ca -0.09 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2q4r n LEU 91 Cb 0.20 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2q4r n LEU 91 CO 0.33 0.10 -0.46 0.61 -1.33 0.00 0.00 177.39 176.64 2q4r n GLY 92 N 1.22 -4.86 0.41 -0.72 0.00 -0.03 -3.85 105.19 97.37 2q4r n GLY 92 Ca 0.16 -0.55 0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 2.42 0.36 -0.02 1.61 4.39 -1.90 0.25 114.58 121.69 2q4r h GLU 93 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2q4r h GLU 93 Cb 0.00 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2q4r h GLU 93 CO 0.00 0.24 -0.07 0.00 -1.16 0.00 0.00 179.01 178.02 2q4r h ALA 94 N 1.63 1.84 0.14 3.43 0.00 -1.93 0.17 119.26 124.54 2q4r h ALA 94 Ca 0.62 -0.08 -0.34 0.00 0.00 0.00 0.00 54.91 55.11 2q4r h ALA 94 Cb 1.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2q4r h ALA 94 CO -0.32 0.12 -1.78 1.25 0.00 0.00 0.00 179.25 178.52 2q4r h LEU 95 N 0.03 0.45 0.10 0.00 6.46 -0.68 -3.05 115.31 118.63 2q4r h LEU 95 Ca 0.01 -0.78 0.02 0.00 -0.12 0.00 0.00 57.88 57.01 2q4r h LEU 95 Cb 0.14 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 2q4r h LEU 95 CO 0.01 1.67 -0.24 0.40 -0.62 0.00 0.00 178.44 179.66 2q4r h ILE 96 N 0.08 0.45 -0.38 4.05 1.08 -0.56 0.12 117.51 122.36 2q4r h ILE 96 Ca -0.34 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 2q4r h ILE 96 Cb 2.06 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 2q4r h ILE 96 CO 0.14 0.00 0.08 -0.61 -0.69 0.00 0.00 178.15 177.06 2q4r h GLN 97 N -0.44 0.61 0.00 2.37 4.15 -0.82 0.40 115.11 121.38 2q4r h GLN 97 Ca 0.03 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 2q4r h GLN 97 Cb 0.47 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2q4r h GLN 97 CO -0.15 0.66 -0.17 0.38 -1.93 0.00 0.00 178.83 177.62 2q4r h ASP 98 N 0.46 0.00 0.02 -0.69 3.04 -1.40 0.62 116.42 118.47 2q4r h ASP 98 Ca 0.12 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.83 2q4r h ASP 98 Cb 0.34 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.63 2q4r h ASP 98 CO 0.00 0.17 -0.31 0.25 -2.04 0.00 0.00 179.24 177.32 2q4r h LEU 99 N 0.00 0.24 0.63 0.15 6.46 -0.38 -2.96 115.31 119.46 2q4r h LEU 99 Ca -0.00 -0.83 -0.02 0.00 -0.12 0.00 0.00 57.88 56.91 2q4r h LEU 99 Cb 0.35 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2q4r h LEU 99 CO 0.02 1.04 -0.43 0.40 -0.62 0.00 0.00 178.44 178.85 2q4r h ILE 100 N -0.53 0.13 0.44 4.05 2.04 0.83 -2.47 117.51 122.00 2q4r h ILE 100 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2q4r h ILE 100 Cb 1.10 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2q4r h ILE 100 CO 0.06 0.00 -0.49 0.78 0.00 0.00 0.00 178.15 178.50 2q4r h ASN 101 N -1.02 -1.36 -0.45 1.72 2.35 0.06 0.68 115.58 117.57 2q4r h ASN 101 Ca -0.08 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2q4r h ASN 101 Cb 0.84 0.45 -0.05 0.00 0.05 0.00 0.00 38.32 39.61 2q4r h ASN 101 CO 0.05 -0.63 -0.27 0.00 -1.65 0.00 0.00 177.43 174.93 2q4r n TYR 102 N -5.38 -0.20 0.22 1.19 9.36 -1.12 -0.02 117.16 121.21 2q4r n TYR 102 Ca -0.11 0.56 -0.15 0.00 3.32 0.00 0.00 57.90 61.52 2q4r n TYR 102 Cb 0.44 -0.49 -0.08 0.00 -0.63 0.00 0.00 39.34 38.59 2q4r n TYR 102 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2q4r n LEU 104 N -5.45 -0.18 0.05 0.00 4.77 0.23 0.82 117.00 117.25 2q4r n LEU 104 Ca -0.10 1.39 -0.12 0.00 -0.03 0.00 0.00 56.01 57.15 2q4r n LEU 104 Cb 0.35 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 2q4r n LEU 104 CO 0.29 -1.38 -0.20 0.77 -1.33 0.00 0.00 177.39 175.54 2q4r h SER 105 N 0.00 0.19 0.37 -1.43 4.64 -0.35 -3.27 113.55 113.70 2q4r h SER 105 Ca 0.45 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2q4r h SER 105 Cb 0.84 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2q4r h SER 105 CO -0.80 1.21 -0.37 0.22 -0.87 0.00 0.00 176.83 176.23 2q4r h TYR 106 N 0.03 -0.99 0.00 4.77 3.20 0.40 -3.21 116.97 121.17 2q4r h TYR 106 Ca -0.17 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2q4r h TYR 106 Cb 1.94 0.39 0.00 0.00 1.54 0.00 0.00 36.73 40.59 2q4r h TYR 106 CO 0.03 -0.51 0.00 -0.89 -1.64 0.00 0.00 178.16 175.15 2q4r n ILE 107 N -5.47 0.00 -0.10 1.81 5.41 0.12 -2.73 119.36 118.40 2q4r n ILE 107 Ca -0.10 1.14 0.00 0.00 1.00 0.00 0.00 62.75 64.80 2q4r n ILE 107 Cb 0.37 -1.75 0.02 0.00 -0.71 0.00 0.00 39.64 37.58 2q4r n ILE 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2q4r n ALA 108 N -1.44 0.01 0.42 -1.39 0.00 -1.23 0.20 120.51 117.08 2q4r n ALA 108 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2q4r n ALA 108 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 19.45 19.32 2q4r n ALA 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2q4r n LYS 109 N -4.41 0.21 -3.43 0.00 5.02 -1.11 -4.63 118.16 109.82 2q4r n LYS 109 Ca 0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 2q4r n LYS 109 Cb 0.12 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.00 5.23 0.15 -0.18 1.01 0.53 -5.06 121.20 120.89 2q4r s ILE 110 Ca 0.01 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 2q4r s ILE 110 Cb 0.00 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 2q4r s ILE 110 CO 0.01 0.29 0.98 -0.54 0.00 0.00 0.00 174.94 175.68 2q4r s LYS 111 N 1.05 4.72 0.07 2.79 -0.14 -1.26 -5.03 119.74 121.94 2q4r s LYS 111 Ca 0.19 1.50 -0.18 0.00 -1.36 0.00 0.00 55.97 56.12 2q4r s LYS 111 Cb -0.14 -3.34 0.04 0.00 -1.68 0.00 0.00 37.83 32.71 2q4r s LYS 111 CO 0.07 0.26 0.43 -0.51 -0.76 0.00 0.00 175.35 174.84 2q4r s LEU 112 N -0.34 0.31 0.33 3.17 1.43 -1.26 -5.06 118.68 117.27 2q4r s LEU 112 Ca 0.46 -0.08 0.14 0.00 -1.03 0.00 0.00 54.13 53.62 2q4r s LEU 112 Cb -0.25 1.84 0.57 0.00 0.03 0.00 0.00 46.19 48.39 2q4r s LEU 112 CO 0.31 -0.74 1.72 1.55 0.23 0.00 0.00 176.35 179.42 2q4r h PRO 113 N 2.75 0.00 -3.65 1.29 0.13 -2.00 -3.46 132.00 127.06 2q4r h PRO 113 Ca -0.32 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 2q4r h PRO 113 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2q4r h PRO 113 CO 0.44 0.48 -0.20 0.15 -0.23 0.00 0.00 178.00 178.64 2q4r s LYS 114 N -3.79 1.18 -0.25 0.86 1.02 -1.26 -5.17 119.74 112.33 2q4r s LYS 114 Ca -0.01 -1.01 -0.21 0.00 0.02 0.00 0.00 55.97 54.75 2q4r s LYS 114 Cb 0.13 0.42 0.07 0.00 -0.52 0.00 0.00 37.83 37.93 2q4r s LYS 114 CO 0.73 -0.45 0.65 0.15 -0.92 0.00 0.00 175.35 175.51 2q4r s LYS 115 N -3.91 0.74 0.00 1.68 1.02 -1.26 -4.73 119.74 113.28 2q4r s LYS 115 Ca 0.12 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.07 2q4r s LYS 115 Cb 0.02 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 2q4r s LYS 115 CO -0.03 -0.10 0.00 0.54 -0.92 0.00 0.00 175.35 174.83 2q4r n ARG 116 N 3.06 0.00 -3.86 1.68 5.12 0.93 -5.04 116.66 118.55 2q4r n ARG 116 Ca -0.15 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.67 2q4r n ARG 116 Cb 0.56 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.80 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 0.22 -0.52 -0.13 0.00 -1.26 -4.94 107.32 100.70 2q4r s GLY 117 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 2q4r s GLY 117 CO 0.00 -0.59 0.46 2.41 0.00 0.00 0.00 173.10 175.38 2q4r n THR 118 N -0.26 -5.34 -0.01 0.90 -1.04 -1.26 -1.78 114.28 105.49 2q4r n THR 118 Ca -0.09 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.05 61.16 2q4r n THR 118 Cb 0.63 -4.91 -0.11 0.00 -1.82 0.00 0.00 70.33 64.12 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 -0.42 0.50 -3.42 -1.42 0.04 -1.91 -0.84 116.94 109.47 2q4r h PHE 119 Ca -0.26 -0.26 -0.64 0.00 2.80 0.00 0.00 57.97 59.61 2q4r h PHE 119 Cb 1.13 -0.06 -0.23 0.00 2.20 0.00 0.00 35.95 38.99 2q4r h PHE 119 CO 0.15 1.05 -0.66 0.42 -0.60 0.00 0.00 178.31 178.66 2q4r s ILE 120 N -3.30 3.92 -0.33 -0.55 1.09 -1.26 0.13 121.20 120.90 2q4r s ILE 120 Ca -0.14 -0.33 0.01 0.00 -1.10 0.00 0.00 60.65 59.10 2q4r s ILE 120 Cb 0.03 -2.77 0.09 0.00 -1.06 0.00 0.00 42.46 38.75 2q4r s ILE 120 CO 0.79 0.43 0.05 -0.70 -0.10 0.00 0.00 174.94 175.41 2q4r s GLU 121 N 0.96 1.88 -0.08 2.79 -6.30 0.92 -4.95 118.70 113.92 2q4r s GLU 121 Ca 0.01 -1.68 -0.30 0.00 -2.50 0.00 0.00 54.97 50.51 2q4r s GLU 121 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 34.13 30.73 2q4r s GLU 121 CO 0.02 -0.85 1.21 0.12 0.02 0.00 0.00 175.26 175.78 2q4r s PHE 122 N 1.04 3.12 0.19 5.30 5.36 -1.26 -1.12 117.98 130.60 2q4r s PHE 122 Ca 0.04 1.17 0.09 0.00 -0.96 0.00 0.00 56.93 57.27 2q4r s PHE 122 Cb -0.20 -3.44 -0.04 0.00 -0.34 0.00 0.00 43.02 38.99 2q4r s PHE 122 CO -0.06 -1.40 -0.19 1.03 -1.46 0.00 0.00 175.22 173.14 2q4r s ARG 123 N 2.49 1.36 0.56 10.12 0.52 -1.26 -5.00 118.95 127.74 2q4r s ARG 123 Ca 0.56 -1.49 0.27 0.00 -0.52 0.00 0.00 55.73 54.55 2q4r s ARG 123 Cb -0.24 -1.43 1.47 0.00 0.52 0.00 0.00 34.95 35.26 2q4r s ARG 123 CO 0.20 0.29 1.98 -0.91 0.02 0.00 0.00 175.30 176.88 2q4r h ASN 124 N 3.05 0.00 -0.12 0.23 2.35 -1.95 -3.43 115.58 115.71 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 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2q4r h ASN 124 CO 0.53 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.92 2q4r n GLY 125 N -1.57 3.63 3.23 2.83 0.00 -1.26 0.32 105.19 112.38 2q4r n GLY 125 Ca 0.09 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.82 3.15 -0.32 0.99 1.43 -0.48 -4.57 118.68 117.06 2q4r s LEU 127 Ca 0.21 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 2q4r s LEU 127 Cb 0.16 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 2q4r s LEU 127 CO 0.06 -0.11 0.35 0.21 0.23 0.00 0.00 176.35 177.09 2q4r s ASN 128 N 1.37 6.18 -0.17 2.29 3.84 -0.28 -2.03 114.94 126.15 2q4r s ASN 128 Ca 0.02 -0.11 -0.05 0.00 0.21 0.00 0.00 52.86 52.92 2q4r s ASN 128 Cb -0.16 -2.19 -0.03 0.00 -0.55 0.00 0.00 41.25 38.31 2q4r s ASN 128 CO -0.04 -0.29 0.01 -0.69 -2.79 0.00 0.00 177.10 173.31 2q4r s VAL 129 N 2.01 4.29 -0.16 -5.21 1.01 -0.71 -0.05 120.40 121.58 2q4r s VAL 129 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2q4r s VAL 129 Cb -0.16 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.35 2q4r s VAL 129 CO 0.11 0.47 -0.00 -0.55 0.00 0.00 0.00 175.10 175.13 2q4r s SER 130 N 0.46 2.63 0.43 3.32 0.15 0.12 -0.84 113.70 119.97 2q4r s SER 130 Ca -0.00 -0.62 0.13 0.00 0.70 0.00 0.00 55.95 56.15 2q4r s SER 130 Cb -0.13 -0.68 1.02 0.00 -1.71 0.00 0.00 66.02 64.51 2q4r s SER 130 CO 0.02 -0.24 2.00 -0.65 1.20 0.00 0.00 173.24 175.57 2q4r h PRO 131 N 8.21 0.40 0.05 5.44 0.11 -1.86 -2.39 132.00 141.96 2q4r h PRO 131 Ca -0.19 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.61 2q4r h PRO 131 Cb 1.12 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2q4r h PRO 131 CO 0.34 0.26 -1.46 0.97 -0.21 0.00 0.00 178.00 177.91 2q4r h ILE 132 N 0.41 1.19 0.00 4.15 2.10 -1.85 -3.46 117.51 120.05 2q4r h ILE 132 Ca 0.24 -2.92 0.00 0.00 1.08 0.00 0.00 64.86 63.26 2q4r h ILE 132 Cb 0.43 2.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.82 2q4r h ILE 132 CO -0.06 0.76 0.00 0.61 -1.08 0.00 0.00 178.15 178.37 2q4r n GLY 133 N 1.56 2.71 0.07 8.18 0.00 -0.90 -0.05 105.19 116.75 2q4r n GLY 133 Ca -0.13 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 1.67 0.06 -1.18 1.61 1.74 -0.32 -1.31 116.66 118.92 2q4r n ARG 134 Ca 0.00 0.55 -0.21 0.00 -0.77 0.00 0.00 57.85 57.41 2q4r n ARG 134 Cb 0.00 -1.70 0.19 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.79 3.88 -2.01 0.55 3.41 -0.85 -4.94 113.62 111.87 2q4r n SER 135 Ca -0.01 -3.52 -0.00 0.00 -0.26 0.00 0.00 58.87 55.08 2q4r n SER 135 Cb 0.03 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 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 -1.03 2.13 0.04 0.00 1.04 -1.26 -4.96 113.70 109.66 2q4r s SER 137 Ca 0.00 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 2q4r s SER 137 Cb -0.00 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 2q4r s SER 137 CO 0.00 0.22 0.53 1.67 0.98 0.00 0.00 173.24 176.64 2q4r n GLN 138 N 2.59 -0.12 -0.01 4.02 7.27 -1.26 0.25 117.38 130.12 2q4r n GLN 138 Ca -0.15 0.52 -0.13 0.00 0.07 0.00 0.00 57.00 57.31 2q4r n GLN 138 Cb 0.54 -0.77 -0.08 0.00 2.41 0.00 0.00 30.24 32.34 2q4r n GLN 138 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2q4r h GLU 139 N 0.00 -0.51 -0.61 3.69 5.08 -1.98 1.52 114.58 121.78 2q4r h GLU 139 Ca 0.04 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2q4r h GLU 139 Cb 0.11 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2q4r h GLU 139 CO -0.26 -0.34 0.40 0.93 -1.00 0.00 0.00 179.01 178.75 2q4r h GLU 140 N -0.53 0.58 0.00 2.33 5.08 0.30 -1.53 114.58 120.81 2q4r h GLU 140 Ca 0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2q4r h GLU 140 Cb 0.65 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2q4r h GLU 140 CO -0.43 0.38 -0.00 0.07 -1.00 0.00 0.00 179.01 178.03 2q4r h ARG 141 N 0.59 -0.01 -0.74 2.33 0.11 0.39 -2.78 114.38 114.28 2q4r h ARG 141 Ca 0.26 0.00 0.15 0.00 0.10 0.00 0.00 59.98 60.49 2q4r h ARG 141 Cb 0.27 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.22 2q4r h ARG 141 CO -0.08 0.87 -0.16 0.82 0.10 0.00 0.00 179.97 181.52 2q4r h ILE 142 N -0.95 0.27 -0.42 0.08 1.08 0.23 0.25 117.51 118.05 2q4r h ILE 142 Ca -0.00 -0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2q4r h ILE 142 Cb 0.88 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 2q4r h ILE 142 CO 0.00 0.00 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.37 2q4r h GLU 143 N 0.01 0.09 -0.84 2.37 4.81 -1.35 -1.35 114.58 118.32 2q4r h GLU 143 Ca 0.36 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.61 2q4r h GLU 143 Cb 0.56 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 2q4r h GLU 143 CO -0.75 0.06 0.55 0.35 -0.73 0.00 0.00 179.01 178.50 2q4r h PHE 144 N 0.10 1.02 0.26 0.92 3.57 -0.28 -1.24 116.94 121.29 2q4r h PHE 144 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2q4r h PHE 144 Cb 0.31 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2q4r h PHE 144 CO -0.29 0.61 -0.13 -0.92 -2.23 0.00 0.00 178.31 175.35 2q4r h TYR 145 N 1.07 -0.33 -0.67 0.41 3.20 -0.03 0.56 116.97 121.17 2q4r h TYR 145 Ca 0.33 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.38 2q4r h TYR 145 Cb -0.01 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2q4r h TYR 145 CO -0.00 -0.21 0.73 1.05 -1.64 0.00 0.00 178.16 178.09 2q4r h GLU 146 N -0.38 0.00 0.03 1.82 4.11 -1.31 3.26 114.58 122.11 2q4r h GLU 146 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 2q4r h GLU 146 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2q4r h GLU 146 CO 0.06 0.00 -0.01 1.25 0.07 0.00 0.00 179.01 180.38 2q4r h LEU 147 N 0.00 -0.03 -1.61 3.06 5.85 -0.77 -1.44 115.31 120.36 2q4r h LEU 147 Ca 0.32 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2q4r h LEU 147 Cb 1.78 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 2q4r h LEU 147 CO -0.00 0.66 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.83 2q4r h ASP 148 N -0.76 0.00 -0.37 1.25 3.58 0.59 0.91 116.42 121.62 2q4r h ASP 148 Ca -0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 2q4r h ASP 148 Cb 0.68 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 2q4r h ASP 148 CO 0.01 0.15 -0.12 0.11 -2.88 0.00 0.00 179.24 176.50 2q4r h LYS 149 N 0.00 0.74 0.16 0.28 1.79 0.57 0.89 116.57 121.00 2q4r h LYS 149 Ca -0.00 -0.30 -0.32 0.00 -2.18 0.00 0.00 60.65 57.85 2q4r h LYS 149 Cb 0.50 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2q4r h LYS 149 CO 0.02 0.90 -1.57 0.87 -1.08 0.00 0.00 179.45 178.59 2q4r h LYS 150 N 0.53 0.35 0.00 3.15 1.57 -0.33 -3.39 116.57 118.46 2q4r h LYS 150 Ca 0.09 -0.60 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 2q4r h LYS 150 Cb 0.65 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2q4r h LYS 150 CO 0.04 1.24 -1.86 0.39 -0.57 0.00 0.00 179.45 178.69 2q4r n GLU 151 N -3.55 0.65 -2.96 3.15 1.02 0.31 -5.01 120.64 114.25 2q4r n GLU 151 Ca -0.18 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.78 2q4r n GLU 151 Cb 1.06 -1.60 0.05 0.00 -0.02 0.00 0.00 31.44 30.93 2q4r n GLU 151 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2q4r n ASN 152 N -2.49 -3.24 -0.01 1.62 4.13 0.31 -4.96 115.26 110.62 2q4r n ASN 152 Ca -0.10 -0.33 -0.01 0.00 1.68 0.00 0.00 54.58 55.82 2q4r n ASN 152 Cb 0.72 -3.09 -0.01 0.00 -1.54 0.00 0.00 39.78 35.86 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 -1.30 0.00 -0.44 2.41 1.08 -1.84 -2.94 117.51 114.48 2q4r h ILE 153 Ca -0.33 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.22 2q4r h ILE 153 Cb 1.20 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.88 2q4r h ILE 153 CO 0.30 0.00 -0.00 0.03 -0.69 0.00 0.00 178.15 177.79 2q4r h ARG 154 N -0.03 0.10 -0.95 2.37 3.08 -1.93 -3.01 114.38 114.02 2q4r h ARG 154 Ca 0.01 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2q4r h ARG 154 Cb 0.05 -0.02 -0.13 0.00 0.08 0.00 0.00 29.97 29.95 2q4r h ARG 154 CO -0.05 0.07 -0.52 0.37 -1.07 0.00 0.00 179.97 178.77 2q4r h GLN 155 N 0.11 -0.03 0.85 0.04 4.15 -1.89 0.86 115.11 119.19 2q4r h GLN 155 Ca 0.22 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 2q4r h GLN 155 Cb 0.31 0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.02 2q4r h GLN 155 CO -0.36 -0.02 -0.41 -0.22 -1.93 0.00 0.00 178.83 175.89 2q4r h LYS 156 N -0.03 -1.10 -0.00 1.69 3.64 -1.50 0.20 116.57 119.47 2q4r h LYS 156 Ca 0.21 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2q4r h LYS 156 Cb 0.48 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2q4r h LYS 156 CO -0.92 -0.73 -0.00 0.34 -2.27 0.00 0.00 179.45 175.87 2q4r n PHE 157 N -5.56 -0.00 -0.30 1.91 7.35 -0.44 0.27 117.46 120.68 2q4r n PHE 157 Ca -0.15 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.71 2q4r n PHE 157 Cb 0.46 -0.47 0.42 0.00 0.35 0.00 0.00 39.48 40.24 2q4r n PHE 157 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2q4r h VAL 158 N 0.00 0.69 -0.09 -2.13 2.07 0.68 0.65 116.25 118.11 2q4r h VAL 158 Ca 0.00 -0.20 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 2q4r h VAL 158 Cb 0.00 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2q4r h VAL 158 CO -0.00 0.11 -0.67 0.00 0.02 0.00 0.00 177.57 177.02 2q4r h ALA 159 N 1.62 0.20 0.00 1.67 0.00 0.29 0.94 119.26 123.98 2q4r h ALA 159 Ca 0.53 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2q4r h ALA 159 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2q4r h ALA 159 CO -0.28 0.51 -0.39 -0.44 0.00 0.00 0.00 179.25 178.65 2q4r h ASP 160 N 0.25 0.00 0.48 0.00 5.19 0.54 1.19 116.42 124.07 2q4r h ASP 160 Ca -0.06 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.05 2q4r h ASP 160 Cb 1.32 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.84 2q4r h ASP 160 CO 0.14 0.39 -1.38 -0.07 -3.12 0.00 0.00 179.24 175.20 2q4r h LEU 161 N 0.00 0.55 -0.91 1.55 3.38 0.25 -2.91 115.31 117.22 2q4r h LEU 161 Ca -0.00 -0.62 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 2q4r h LEU 161 Cb 0.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2q4r h LEU 161 CO 0.05 1.49 -0.48 -0.09 0.09 0.00 0.00 178.44 179.50 2q4r h ARG 162 N 0.10 0.00 0.00 1.13 2.43 -0.49 -3.10 114.38 114.45 2q4r h ARG 162 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2q4r h ARG 162 Cb 2.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 2q4r h ARG 162 CO 0.22 0.48 0.00 1.17 -1.51 0.00 0.00 179.97 180.33 2q4r n LYS 163 N -3.72 0.00 -0.19 0.20 3.00 0.41 -1.08 118.16 116.78 2q4r n LYS 163 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.19 2q4r n LYS 163 Cb 0.54 -0.36 -0.09 0.00 0.00 0.00 0.00 35.03 35.12 2q4r n LYS 163 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2q4r h GLU 164 N 0.00 -0.24 0.00 1.64 4.57 -1.70 0.11 114.58 118.95 2q4r h GLU 164 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2q4r h GLU 164 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2q4r h GLU 164 CO 0.00 -0.16 0.02 1.19 -1.18 0.00 0.00 179.01 178.88 2q4r n PHE 165 N -4.99 0.00 -1.53 0.92 3.72 -1.17 -4.68 117.46 109.73 2q4r n PHE 165 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 2q4r n PHE 165 Cb 0.28 -0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.06 0.61 0.00 4.37 0.00 0.02 -1.34 120.51 123.11 2q4r n ALA 166 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2q4r n ALA 166 Cb 0.02 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.59 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 6.24 0.67 0.39 0.00 0.00 -1.26 -5.00 105.19 106.23 2q4r n GLY 167 Ca 0.51 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 1.44 -3.36 1.61 4.76 -0.45 -4.85 118.16 117.31 2q4r n LYS 168 Ca 0.00 -0.53 -0.19 0.00 -2.87 0.00 0.00 58.31 54.72 2q4r n LYS 168 Cb 0.00 -1.25 0.06 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.56 -0.25 3.58 0.72 0.00 -1.26 -4.94 105.19 103.60 2q4r n GLY 169 Ca 0.05 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -6.02 3.12 0.35 0.99 1.43 -1.26 -1.44 118.68 115.85 2q4r s LEU 170 Ca 0.44 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 2q4r s LEU 170 Cb -0.19 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 2q4r s LEU 170 CO 0.58 0.30 0.07 -0.89 0.23 0.00 0.00 176.35 176.64 2q4r s THR 171 N -0.95 2.65 -0.08 5.49 2.01 0.05 -4.88 115.64 119.93 2q4r s THR 171 Ca 0.16 -1.87 -0.03 0.00 0.31 0.00 0.00 61.69 60.27 2q4r s THR 171 Cb -0.11 -2.88 0.04 0.00 0.01 0.00 0.00 72.50 69.56 2q4r s THR 171 CO 0.06 -0.16 0.11 -0.36 -0.69 0.00 0.00 174.62 173.58 2q4r s PHE 172 N -2.52 -0.03 0.05 4.92 0.08 -1.25 -2.48 117.98 116.76 2q4r s PHE 172 Ca 0.36 0.33 0.09 0.00 0.12 0.00 0.00 56.93 57.83 2q4r s PHE 172 Cb 0.00 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 2q4r s PHE 172 CO 0.21 -0.27 -0.25 0.45 -0.10 0.00 0.00 175.22 175.26 2q4r s SER 173 N 2.22 3.00 -0.44 1.36 0.15 -0.23 -4.91 113.70 114.85 2q4r s SER 173 Ca 0.04 -0.59 -0.10 0.00 0.70 0.00 0.00 55.95 56.00 2q4r s SER 173 Cb -0.13 -0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.01 2q4r s SER 173 CO -0.05 0.23 0.30 -0.63 1.20 0.00 0.00 173.24 174.29 2q4r s ILE 174 N -0.82 4.38 -0.90 6.45 1.01 -1.26 0.10 121.20 130.16 2q4r s ILE 174 Ca 0.11 -1.45 -0.08 0.00 0.00 0.00 0.00 60.65 59.23 2q4r s ILE 174 Cb -0.10 -3.72 0.23 0.00 0.01 0.00 0.00 42.46 38.88 2q4r s ILE 174 CO 0.02 -0.58 0.82 -0.83 0.00 0.00 0.00 174.94 174.37 2q4r s GLY 175 N 2.34 2.90 0.00 6.18 0.00 -1.21 -4.98 107.32 112.56 2q4r s GLY 175 Ca 0.04 -3.59 0.00 0.00 0.00 0.00 0.00 44.72 41.17 2q4r s GLY 175 CO 0.02 1.24 0.00 0.61 0.00 0.00 0.00 173.10 174.97 2q4r n GLY 176 N 3.14 0.27 0.01 0.20 0.00 -1.26 -4.60 105.19 102.95 2q4r n GLY 176 Ca 0.18 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.35 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 0.53 -0.08 1.61 6.02 -1.26 -4.87 117.38 119.34 2q4r n GLN 177 Ca 0.00 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.78 2q4r n GLN 177 Cb 0.00 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.85 0.86 -4.55 5.09 -0.00 -1.26 -4.39 119.36 113.25 2q4r n ILE 178 Ca -0.03 -0.27 -0.30 0.00 -0.00 0.00 0.00 62.75 62.15 2q4r n ILE 178 Cb 0.28 -1.39 -0.13 0.00 -0.00 0.00 0.00 39.64 38.40 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 -5.96 3.67 0.43 7.28 1.04 -1.26 -3.77 113.70 115.13 2q4r s SER 179 Ca -0.21 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.71 2q4r s SER 179 Cb 0.07 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.72 2q4r s SER 179 CO 0.31 0.22 0.16 2.22 0.98 0.00 0.00 173.24 177.12 2q4r n PHE 180 N 1.27 0.15 -4.10 5.02 1.16 -0.02 -3.30 117.46 117.64 2q4r n PHE 180 Ca -0.16 -1.96 -0.14 0.00 -1.87 0.00 0.00 57.45 53.31 2q4r n PHE 180 Cb 0.52 -0.32 -0.12 0.00 -1.61 0.00 0.00 39.48 37.96 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 -3.43 0.97 -0.10 5.98 1.01 0.29 -1.74 116.67 119.65 2q4r s ASP 181 Ca 0.12 -0.50 0.02 0.00 0.71 0.00 0.00 52.55 52.89 2q4r s ASP 181 Cb -0.01 0.01 0.02 0.00 1.01 0.00 0.00 42.92 43.94 2q4r s ASP 181 CO 0.08 -0.15 -0.14 -0.69 0.21 0.00 0.00 175.17 174.48 2q4r s VAL 182 N -1.20 1.39 0.23 -1.27 1.01 -0.86 -1.06 120.40 118.63 2q4r s VAL 182 Ca -0.07 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 2q4r s VAL 182 Cb -0.09 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2q4r s VAL 182 CO 0.01 0.42 0.57 0.72 0.00 0.00 0.00 175.10 176.82 2q4r s PHE 183 N 1.03 -0.03 0.50 5.22 -0.12 -1.03 -1.38 117.98 122.17 2q4r s PHE 183 Ca -0.06 -0.35 -0.22 0.00 -0.05 0.00 0.00 56.93 56.25 2q4r s PHE 183 Cb -0.15 0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 42.62 2q4r s PHE 183 CO -0.02 -1.03 1.21 -2.14 -0.05 0.00 0.00 175.22 173.19 2q4r s PRO 184 N -3.92 3.53 0.25 1.99 0.02 -1.26 -0.77 135.00 134.84 2q4r s PRO 184 Ca 0.13 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 62.70 2q4r s PRO 184 Cb -0.02 -2.30 -0.12 0.00 0.02 0.00 0.00 34.50 32.08 2q4r s PRO 184 CO 0.03 -0.77 1.65 -0.25 -0.33 0.00 0.00 177.00 177.33 2q4r n ASP 185 N -0.76 3.91 0.00 2.53 8.00 -0.52 -1.94 116.55 127.77 2q4r n ASP 185 Ca 0.09 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2q4r n ASP 185 Cb 0.48 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 2q4r n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q4r n GLY 186 N 2.97 1.44 2.40 0.44 0.00 -1.26 -4.93 105.19 106.24 2q4r n GLY 186 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 1.94 -3.37 1.61 7.02 -0.82 -3.43 117.44 118.39 2q4r n TRP 187 Ca 0.00 -2.63 0.00 0.00 -1.02 0.00 0.00 57.50 53.85 2q4r n TRP 187 Cb 0.00 -2.17 0.00 0.00 -2.42 0.00 0.00 31.31 26.72 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 3.73 1.29 -0.02 -0.99 5.75 -1.26 -4.95 116.55 120.10 2q4r n ASP 188 Ca 0.65 -0.37 0.23 0.00 -0.01 0.00 0.00 54.79 55.29 2q4r n ASP 188 Cb 0.23 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.04 2q4r n ASP 188 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2q4r h LYS 189 N 0.00 0.00 -0.34 0.11 1.57 -1.85 0.44 116.57 116.50 2q4r h LYS 189 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2q4r h LYS 189 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2q4r h LYS 189 CO 0.00 0.00 0.37 0.00 -0.57 0.00 0.00 179.45 179.25 2q4r h ARG 190 N 0.00 0.00 -0.79 3.15 3.08 -1.88 0.42 114.38 118.36 2q4r h ARG 190 Ca 0.28 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.39 2q4r h ARG 190 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.23 2q4r h ARG 190 CO -0.00 0.00 0.52 -0.92 -1.07 0.00 0.00 179.97 178.50 2q4r h TYR 191 N 0.00 0.88 0.00 3.04 3.20 -0.92 -1.03 116.97 122.14 2q4r h TYR 191 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2q4r h TYR 191 Cb 0.90 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2q4r h TYR 191 CO 0.00 0.46 0.00 0.00 -1.64 0.00 0.00 178.16 176.98 2q4r h LEU 193 N 0.00 0.00 0.00 0.00 3.38 -1.31 -3.16 115.31 114.22 2q4r h LEU 193 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q4r h LEU 193 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2q4r h LEU 193 CO 0.00 0.62 0.00 -2.11 0.09 0.00 0.00 178.44 177.04 2q4r n ARG 194 N -3.53 0.62 -0.00 1.13 1.85 -0.83 -2.07 116.66 113.82 2q4r n ARG 194 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.90 2q4r n ARG 194 Cb 0.68 -1.24 -0.07 0.00 -1.05 0.00 0.00 32.46 30.77 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 -0.74 0.00 -0.08 2.89 8.25 -1.19 -4.67 115.22 119.68 2q4r n HIS 195 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2q4r n HIS 195 Cb 0.03 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.68 0.00 0.03 1.59 0.24 -1.07 -4.80 118.33 112.65 2q4r n VAL 196 Ca -0.01 -0.45 -0.03 0.00 -2.04 0.00 0.00 64.34 61.82 2q4r n VAL 196 Cb 0.24 1.08 0.22 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.44 -2.69 7.34 4.11 -1.69 -3.31 114.58 118.78 2q4r h GLU 197 Ca 0.00 -0.16 -0.73 0.00 0.07 0.00 0.00 59.36 58.54 2q4r h GLU 197 Cb 0.04 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 2q4r h GLU 197 CO 0.00 0.66 2.64 0.09 0.07 0.00 0.00 179.01 182.47 2q4r n ASN 198 N -4.13 8.11 0.00 3.06 3.02 -1.26 -3.76 115.26 120.30 2q4r n ASN 198 Ca -0.00 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 2q4r n ASN 198 Cb 0.40 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 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 2.05 0.00 -0.72 6.41 8.00 -1.25 -5.08 116.55 125.97 2q4r n ASP 199 Ca 0.65 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2q4r n ASP 199 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.05 0.48 3.52 0.44 0.00 -1.25 -5.02 105.19 103.42 2q4r n GLY 200 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.42 2.80 0.34 1.61 2.02 -1.26 -4.62 117.35 115.82 2q4r s TYR 201 Ca 0.00 0.01 0.18 0.00 -0.37 0.00 0.00 57.07 56.89 2q4r s TYR 201 Cb 0.00 -4.07 0.96 0.00 -0.40 0.00 0.00 41.96 38.45 2q4r s TYR 201 CO 0.00 -1.34 1.48 -0.22 -1.57 0.00 0.00 175.55 173.90 2q4r h LYS 202 N 9.30 0.00 -2.25 -0.62 1.63 -1.71 -3.36 116.57 119.57 2q4r h LYS 202 Ca -0.26 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 2q4r h LYS 202 Cb 1.07 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 32.47 2q4r h LYS 202 CO 1.09 0.00 -0.17 0.99 -3.45 0.00 0.00 179.45 177.90 2q4r s THR 203 N -3.66 -0.40 -0.88 1.00 2.01 -1.26 -4.98 115.64 107.47 2q4r s THR 203 Ca -0.02 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 2q4r s THR 203 Cb 0.05 -0.84 0.25 0.00 0.01 0.00 0.00 72.50 71.97 2q4r s THR 203 CO 0.16 0.02 0.97 -0.38 -0.69 0.00 0.00 174.62 174.70 2q4r n ILE 204 N 4.83 3.47 -1.47 1.82 5.41 -1.26 -2.62 119.36 129.54 2q4r n ILE 204 Ca -0.16 -5.37 -0.42 0.00 1.00 0.00 0.00 62.75 57.79 2q4r n ILE 204 Cb 0.54 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 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 1.61 -0.25 -3.65 1.39 4.01 0.16 -4.57 117.16 115.84 2q4r n TYR 205 Ca 0.25 0.63 -0.20 0.00 -0.16 0.00 0.00 57.90 58.43 2q4r n TYR 205 Cb 0.37 -2.02 -0.17 0.00 -0.31 0.00 0.00 39.34 37.21 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 -1.40 -0.03 -0.34 -0.72 5.36 -1.26 -0.75 117.98 118.85 2q4r s PHE 206 Ca 0.63 0.31 -0.09 0.00 -0.96 0.00 0.00 56.93 56.82 2q4r s PHE 206 Cb -0.63 -0.42 0.02 0.00 -0.34 0.00 0.00 43.02 41.65 2q4r s PHE 206 CO 0.58 -0.28 0.15 -0.06 -1.46 0.00 0.00 175.22 174.14 2q4r s PHE 207 N 2.22 3.22 0.00 10.12 0.08 0.29 -0.96 117.98 132.95 2q4r s PHE 207 Ca 0.04 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.06 2q4r s PHE 207 Cb -0.13 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2q4r s PHE 207 CO -0.05 -0.63 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 2q4r n GLY 208 N 4.92 1.63 3.61 4.36 0.00 -0.51 -1.45 105.19 117.75 2q4r n GLY 208 Ca -0.13 0.28 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 1.95 -0.88 0.00 1.61 -0.00 -1.26 0.47 116.67 118.56 2q4r s ASP 209 Ca 0.00 1.30 0.00 0.00 -0.00 0.00 0.00 52.55 53.85 2q4r s ASP 209 Cb 0.00 1.69 0.00 0.00 -0.00 0.00 0.00 42.92 44.61 2q4r s ASP 209 CO 0.00 -0.19 0.71 2.29 -0.00 0.00 0.00 175.17 177.98 2q4r n LYS 210 N 4.66 0.00 -1.25 8.23 0.00 -1.26 -4.52 118.16 124.01 2q4r n LYS 210 Ca -0.16 0.33 -0.38 0.00 -0.00 0.00 0.00 58.31 58.11 2q4r n LYS 210 Cb 0.55 -1.21 0.02 0.00 -0.00 0.00 0.00 35.03 34.39 2q4r n LYS 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2q4r n THR 211 N -1.31 0.45 0.00 0.58 -1.04 -1.26 0.15 114.28 111.85 2q4r n THR 211 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 2q4r n THR 211 Cb 0.00 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 2q4r n THR 211 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2q4r n ASN 216 N 2.13 0.00 0.00 8.00 4.13 -1.26 -4.52 115.26 123.74 2q4r n ASN 216 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2q4r n ASN 216 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2q4r n ASP 217 N 0.00 0.00 -4.59 6.41 -0.08 -1.26 -5.10 116.55 111.92 2q4r n ASP 217 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2q4r n ASP 217 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 2q4r n ASP 217 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2q4r s HIS 218 N 0.00 1.31 0.16 -0.67 5.65 0.12 -4.87 115.29 116.99 2q4r s HIS 218 Ca 0.00 0.69 -0.26 0.00 0.25 0.00 0.00 55.06 55.74 2q4r s HIS 218 Cb 0.00 -3.94 0.01 0.00 -1.18 0.00 0.00 32.58 27.47 2q4r s HIS 218 CO 0.00 -3.59 1.57 0.93 -0.65 0.00 0.00 174.74 173.01 2q4r h GLU 219 N 15.11 -0.30 -0.94 2.88 3.07 -1.94 -1.37 114.58 131.10 2q4r h GLU 219 Ca -0.37 0.02 0.22 0.00 -0.50 0.00 0.00 59.36 58.73 2q4r h GLU 219 Cb 1.22 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 29.13 2q4r h GLU 219 CO 1.01 -0.20 0.62 0.97 -1.40 0.00 0.00 179.01 180.01 2q4r h ILE 220 N -0.31 0.65 0.00 3.13 2.10 -1.90 1.11 117.51 122.28 2q4r h ILE 220 Ca 0.15 -0.14 -0.06 0.00 1.08 0.00 0.00 64.86 65.89 2q4r h ILE 220 Cb 0.58 0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 36.50 2q4r h ILE 220 CO -0.59 0.08 -0.28 0.15 -1.08 0.00 0.00 178.15 176.43 2q4r h PHE 221 N 0.41 0.00 0.00 2.19 3.57 -1.58 -3.17 116.94 118.37 2q4r h PHE 221 Ca 0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.00 2q4r h PHE 221 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2q4r h PHE 221 CO -0.00 0.28 -0.82 0.25 -2.23 0.00 0.00 178.31 175.78 2q4r n THR 222 N -3.91 0.00 -1.52 4.41 -2.24 0.19 -4.10 114.28 107.11 2q4r n THR 222 Ca -0.02 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 2q4r n THR 222 Cb 0.36 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 2q4r n THR 222 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2q4r n ASP 223 N -1.45 -0.07 0.18 3.42 -0.08 0.33 -4.87 116.55 114.01 2q4r n ASP 223 Ca 0.01 0.91 0.04 0.00 -1.51 0.00 0.00 54.79 54.25 2q4r n ASP 223 Cb 0.23 -1.22 0.45 0.00 2.34 0.00 0.00 41.12 42.91 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 0.92 0.09 0.00 -0.67 0.13 -1.91 -2.84 132.00 127.73 2q4r h PRO 224 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2q4r h PRO 224 Cb 1.38 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2q4r h PRO 224 CO 0.52 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 2q4r h ARG 225 N 0.09 0.00 0.00 0.86 -0.00 -1.95 -3.52 114.38 109.86 2q4r h ARG 225 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2q4r h ARG 225 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2q4r h ARG 225 CO 0.02 0.00 0.00 0.25 0.00 0.00 0.00 179.97 180.24 2q4r n THR 226 N -2.53 0.00 -3.60 2.04 -2.24 -1.07 -4.26 114.28 102.61 2q4r n THR 226 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 2q4r n THR 226 Cb 0.32 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.20 -0.13 3.38 0.00 -1.26 -4.82 107.32 104.29 2q4r s GLY 228 Ca 0.00 2.33 -0.04 0.00 0.00 0.00 0.00 44.72 47.02 2q4r s GLY 228 CO 0.00 1.38 0.07 -0.19 0.00 0.00 0.00 173.10 174.36 2q4r s TYR 229 N -0.53 0.27 0.02 1.90 2.02 -0.13 -4.96 117.35 115.93 2q4r s TYR 229 Ca 0.00 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.20 2q4r s TYR 229 Cb -0.02 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 2q4r s TYR 229 CO -0.02 -0.42 1.02 -1.54 -1.57 0.00 0.00 175.55 173.02 2q4r s SER 230 N 2.11 7.32 0.12 2.29 1.04 -1.26 -1.43 113.70 123.90 2q4r s SER 230 Ca 0.03 1.73 0.07 0.00 0.48 0.00 0.00 55.95 58.26 2q4r s SER 230 Cb -0.15 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2q4r s SER 230 CO -0.07 -0.29 -0.05 0.68 0.98 0.00 0.00 173.24 174.49 2q4r s VAL 231 N 0.97 3.61 -0.04 5.02 -7.23 0.18 -4.90 120.40 118.01 2q4r s VAL 231 Ca 0.53 -1.26 0.15 0.00 -1.81 0.00 0.00 61.98 59.60 2q4r s VAL 231 Cb -0.23 -2.73 -0.24 0.00 0.56 0.00 0.00 36.38 33.74 2q4r s VAL 231 CO 0.28 0.05 0.35 0.35 -0.31 0.00 0.00 175.10 175.82 2q4r n THR 232 N 0.43 0.00 -3.59 5.32 -2.24 -1.26 -4.83 114.28 108.11 2q4r n THR 232 Ca -0.12 -0.34 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 2q4r n THR 232 Cb 0.53 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 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 -3.04 -2.01 0.42 6.98 0.00 -1.26 -4.98 121.76 117.87 2q4r s ALA 233 Ca -0.05 1.57 0.20 0.00 0.00 0.00 0.00 51.96 53.68 2q4r s ALA 233 Cb 0.10 -0.45 1.14 0.00 0.00 0.00 0.00 23.12 23.91 2q4r s ALA 233 CO 0.64 -0.47 1.82 -1.35 0.00 0.00 0.00 175.76 176.39 2q4r h PRO 234 N 2.14 0.35 -0.60 0.00 0.11 -1.69 0.86 132.00 133.18 2q4r h PRO 234 Ca -0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 2q4r h PRO 234 Cb 1.18 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2q4r h PRO 234 CO 0.26 0.23 0.23 0.93 -0.21 0.00 0.00 178.00 179.44 2q4r h GLU 235 N 0.36 0.90 -0.33 1.05 3.07 -1.95 -1.24 114.58 116.44 2q4r h GLU 235 Ca 0.52 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 59.07 2q4r h GLU 235 Cb 1.39 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2q4r h GLU 235 CO -0.20 0.77 -0.35 0.22 -1.40 0.00 0.00 179.01 178.05 2q4r h ASP 236 N 0.83 0.87 -0.77 1.42 3.58 0.07 -2.57 116.42 119.85 2q4r h ASP 236 Ca 0.20 -0.48 0.06 0.00 0.42 0.00 0.00 57.03 57.24 2q4r h ASP 236 Cb 0.21 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 2q4r h ASP 236 CO -0.02 1.17 0.51 0.74 -2.88 0.00 0.00 179.24 178.76 2q4r h THR 237 N 0.59 1.03 0.00 2.25 2.02 0.25 0.17 112.91 119.22 2q4r h THR 237 Ca 0.05 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 2q4r h THR 237 Cb 0.94 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2q4r h THR 237 CO 0.09 0.15 -0.49 0.03 0.37 0.00 0.00 175.52 175.67 2q4r h ARG 238 N 0.83 0.00 0.28 6.66 3.08 -1.11 0.28 114.38 124.40 2q4r h ARG 238 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2q4r h ARG 238 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2q4r h ARG 238 CO -0.11 0.49 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.05 2q4r h ARG 239 N 0.00 -0.36 0.01 0.04 2.43 -0.32 -2.29 114.38 113.88 2q4r h ARG 239 Ca -0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2q4r h ARG 239 Cb 1.02 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2q4r h ARG 239 CO 0.06 -0.07 -0.00 0.82 -1.51 0.00 0.00 179.97 179.27 2q4r h ILE 240 N -0.65 1.38 0.00 1.20 2.04 -1.09 -1.00 117.51 119.40 2q4r h ILE 240 Ca -0.04 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2q4r h ILE 240 Cb 0.46 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2q4r h ILE 240 CO 0.06 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.51 2q4r n GLU 242 N -1.10 0.55 -0.48 0.00 4.07 -0.86 -3.97 120.64 118.86 2q4r n GLU 242 Ca 0.01 0.18 -0.04 0.00 -0.06 0.00 0.00 57.16 57.25 2q4r n GLU 242 Cb 0.01 -1.42 0.02 0.00 -0.06 0.00 0.00 31.44 29.98 2q4r n GLU 242 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2q4r n LEU 243 N -3.67 5.01 0.00 4.31 7.94 -0.20 -2.98 117.00 127.41 2q4r n LEU 243 Ca -0.45 -2.40 0.00 0.00 -1.11 0.00 0.00 56.01 52.05 2q4r n LEU 243 Cb 0.89 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.90 2q4r n LEU 243 CO 0.12 0.92 0.00 -0.11 -1.11 0.00 0.00 177.39 177.21 2q4r n LEU 244 N 0.90 0.00 -3.55 -1.96 7.94 -1.07 -4.98 117.00 114.27 2q4r n LEU 244 Ca 0.08 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.70 2q4r n LEU 244 Cb 0.56 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.40 2q4r n LEU 244 CO 0.10 0.00 -0.26 -0.36 -1.11 0.00 0.00 177.39 175.76 2q4r s PHE 245 N -0.19 1.59 0.00 1.96 0.08 -1.16 -5.10 117.98 115.16 2q4r s PHE 245 Ca 0.00 -2.36 0.00 0.00 0.12 0.00 0.00 56.93 54.69 2q4r s PHE 245 Cb 0.00 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 2q4r s PHE 245 CO 0.00 -0.77 0.00 0.43 -0.10 0.00 0.00 175.22 174.78