#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 1.79 3.67 0.55 0.00 -1.26 -4.51 105.19 105.43 2q4r n GLY 5 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 0.70 -0.09 1.61 0.02 -1.26 -4.93 135.00 131.05 2q4r s PRO 6 Ca 0.00 0.80 -0.30 0.00 0.02 0.00 0.00 61.00 61.52 2q4r s PRO 6 Cb 0.00 -1.75 0.12 0.00 0.02 0.00 0.00 34.50 32.89 2q4r s PRO 6 CO 0.00 -2.62 0.98 0.00 -0.33 0.00 0.00 177.00 175.03 2q4r s ALA 7 N -2.85 -1.90 -0.06 -1.55 0.00 -1.26 -2.68 121.76 111.45 2q4r s ALA 7 Ca 0.65 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 2q4r s ALA 7 Cb -0.19 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2q4r s ALA 7 CO 0.58 -0.54 0.02 -1.17 0.00 0.00 0.00 175.76 174.65 2q4r s LEU 8 N -1.94 0.50 -0.13 0.00 2.96 -0.91 -2.45 118.68 116.70 2q4r s LEU 8 Ca 0.03 -0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 53.77 2q4r s LEU 8 Cb -0.01 -0.34 -0.05 0.00 0.50 0.00 0.00 46.19 46.30 2q4r s LEU 8 CO -0.05 -0.20 0.33 0.00 -1.32 0.00 0.00 176.35 175.11 2q4r s LEU 10 N 0.14 2.26 0.09 0.00 1.43 -0.61 0.38 118.68 122.37 2q4r s LEU 10 Ca 0.19 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2q4r s LEU 10 Cb -0.14 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2q4r s LEU 10 CO 0.06 -0.14 0.12 -0.36 0.23 0.00 0.00 176.35 176.26 2q4r s PHE 11 N 1.40 3.27 0.44 0.29 0.08 -0.78 -1.50 117.98 121.17 2q4r s PHE 11 Ca -0.01 0.11 -0.10 0.00 0.12 0.00 0.00 56.93 57.05 2q4r s PHE 11 Cb -0.16 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.59 2q4r s PHE 11 CO -0.08 0.54 0.80 0.34 -0.10 0.00 0.00 175.22 176.71 2q4r s ASP 12 N -2.51 6.45 0.00 1.36 3.68 0.12 -3.60 116.67 122.17 2q4r s ASP 12 Ca 0.31 1.12 0.00 0.00 2.13 0.00 0.00 52.55 56.11 2q4r s ASP 12 Cb -0.12 -2.32 0.00 0.00 -1.45 0.00 0.00 42.92 39.03 2q4r s ASP 12 CO 0.24 -0.47 0.00 0.52 0.13 0.00 0.00 175.17 175.59 2q4r n VAL 13 N -1.59 0.00 -1.67 1.11 0.31 -1.26 -3.59 118.33 111.64 2q4r n VAL 13 Ca 0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.90 2q4r n VAL 13 Cb 0.54 -0.02 -0.03 0.00 -0.91 0.00 0.00 33.84 33.43 2q4r n VAL 13 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2q4r n ASP 14 N 0.00 2.70 0.00 4.52 2.03 -1.26 -0.15 116.55 124.39 2q4r n ASP 14 Ca 0.00 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2q4r n ASP 14 Cb 0.00 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 38.98 2q4r n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q4r n GLY 15 N 2.19 1.78 0.09 0.27 0.00 0.13 -4.66 105.19 105.00 2q4r n GLY 15 Ca 0.12 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.56 -2.53 112.91 114.71 2q4r h THR 16 Ca 0.00 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.93 2q4r h THR 16 Cb 0.00 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2q4r h THR 16 CO 0.00 0.43 -0.93 0.18 0.37 0.00 0.00 175.52 175.58 2q4r n LEU 17 N -4.50 0.66 -3.96 2.58 4.77 0.79 -3.39 117.00 113.96 2q4r n LEU 17 Ca -0.23 -0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 55.24 2q4r n LEU 17 Cb 0.60 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2q4r n LEU 17 CO 0.25 0.16 -0.19 0.42 -1.33 0.00 0.00 177.39 176.70 2q4r s THR 18 N -2.65 0.17 0.51 -5.08 -4.23 -1.21 -4.49 115.64 98.66 2q4r s THR 18 Ca 0.04 -1.44 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 2q4r s THR 18 Cb 0.12 -1.45 -0.08 0.00 1.34 0.00 0.00 72.50 72.43 2q4r s THR 18 CO 0.68 -0.75 1.01 0.00 -0.54 0.00 0.00 174.62 175.02 2q4r s ALA 19 N -3.89 2.92 0.14 3.99 0.00 -1.26 0.20 121.76 123.86 2q4r s ALA 19 Ca 0.07 0.42 -0.33 0.00 0.00 0.00 0.00 51.96 52.12 2q4r s ALA 19 Cb 0.06 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.81 2q4r s ALA 19 CO -0.10 -0.33 0.94 -2.30 0.00 0.00 0.00 175.76 173.97 2q4r n PRO 20 N -1.31 0.54 -1.49 0.00 -0.02 -1.26 -0.99 135.00 130.48 2q4r n PRO 20 Ca 0.08 0.19 -0.07 0.00 -2.02 0.00 0.00 63.50 61.69 2q4r n PRO 20 Cb 0.53 -1.54 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 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 1.41 -1.47 -4.90 -0.52 1.74 -1.26 -4.92 116.66 106.73 2q4r n ARG 21 Ca 0.17 0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 57.33 2q4r n ARG 21 Cb 0.21 -4.61 -0.14 0.00 -1.02 0.00 0.00 32.46 26.90 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 -3.13 1.98 0.71 5.56 -0.21 -0.16 -5.12 119.66 119.29 2q4r s GLN 22 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 55.36 54.22 2q4r s GLN 22 Cb 0.00 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 31.96 2q4r s GLN 22 CO 0.00 0.54 1.16 0.21 -2.12 0.00 0.00 175.29 175.08 2q4r s LYS 23 N -1.16 2.37 0.43 2.91 2.20 -1.26 -4.27 119.74 120.97 2q4r s LYS 23 Ca 0.12 1.58 -0.24 0.00 -0.36 0.00 0.00 55.97 57.07 2q4r s LYS 23 Cb -0.10 -1.88 -0.10 0.00 -1.51 0.00 0.00 37.83 34.24 2q4r s LYS 23 CO 0.02 -1.62 1.15 1.51 -0.36 0.00 0.00 175.35 176.05 2q4r n ILE 24 N -2.67 2.61 -3.20 5.43 3.06 0.84 -4.71 119.36 120.73 2q4r n ILE 24 Ca 0.12 -0.50 -0.35 0.00 -2.50 0.00 0.00 62.75 59.52 2q4r n ILE 24 Cb 0.51 -1.37 -0.06 0.00 0.54 0.00 0.00 39.64 39.26 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 -1.25 4.70 0.21 9.51 2.01 -1.26 -4.90 115.64 124.66 2q4r s THR 25 Ca 0.63 1.01 -0.09 0.00 0.31 0.00 0.00 61.69 63.55 2q4r s THR 25 Cb -0.52 -3.74 0.15 0.00 0.01 0.00 0.00 72.50 68.39 2q4r s THR 25 CO 0.57 0.08 1.79 0.50 -0.69 0.00 0.00 174.62 176.86 2q4r h LYS 26 N 3.04 0.58 0.00 4.92 3.64 -2.00 1.43 116.57 128.18 2q4r h LYS 26 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2q4r h LYS 26 Cb 1.19 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2q4r h LYS 26 CO 0.66 0.39 0.00 -1.91 -2.27 0.00 0.00 179.45 176.31 2q4r n GLU 27 N -4.85 0.00 0.00 1.90 2.13 -1.26 -0.88 120.64 117.68 2q4r n GLU 27 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2q4r n GLU 27 Cb 0.21 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 30.97 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 0.11 0.00 0.22 4.31 2.03 0.49 -3.10 116.55 120.62 2q4r n ASP 29 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2q4r n ASP 29 Cb 0.00 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.00 0.68 1.67 3.32 -1.24 -2.49 116.42 118.36 2q4r h ASP 30 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2q4r h ASP 30 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2q4r h ASP 30 CO 0.00 0.20 -0.41 0.15 -1.72 0.00 0.00 179.24 177.46 2q4r h PHE 31 N 0.00 -1.09 -0.85 4.55 3.57 -1.76 -2.10 116.94 119.26 2q4r h PHE 31 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2q4r h PHE 31 Cb 0.37 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 2q4r h PHE 31 CO 0.00 -0.61 0.51 -0.07 -2.23 0.00 0.00 178.31 175.90 2q4r h LEU 32 N -1.01 0.76 -0.88 0.59 3.38 -1.84 -0.08 115.31 116.22 2q4r h LEU 32 Ca -0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2q4r h LEU 32 Cb 0.81 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2q4r h LEU 32 CO 0.10 0.45 0.53 1.56 0.09 0.00 0.00 178.44 181.17 2q4r h GLN 33 N 0.88 1.20 -0.05 1.13 1.08 -1.40 0.62 115.11 118.58 2q4r h GLN 33 Ca 0.40 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 2q4r h GLN 33 Cb 0.30 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2q4r h GLN 33 CO -0.22 0.84 0.01 -0.22 -0.95 0.00 0.00 178.83 178.29 2q4r h LYS 34 N 1.22 0.08 -0.35 1.46 3.64 -0.64 -2.60 116.57 119.38 2q4r h LYS 34 Ca 0.32 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 2q4r h LYS 34 Cb -0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2q4r h LYS 34 CO -0.06 0.32 0.23 1.25 -2.27 0.00 0.00 179.45 178.93 2q4r h LEU 35 N -0.18 0.33 0.00 5.20 5.85 -0.61 -1.22 115.31 124.68 2q4r h LEU 35 Ca 0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2q4r h LEU 35 Cb 0.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2q4r h LEU 35 CO 0.00 0.23 0.00 -1.14 -0.34 0.00 0.00 178.44 177.20 2q4r n ARG 36 N -4.49 0.09 0.00 1.25 0.63 0.21 -3.44 116.66 110.92 2q4r n ARG 36 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2q4r n ARG 36 Cb 0.13 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.03 2q4r n ARG 36 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2q4r n GLN 37 N -0.51 0.00 -0.08 -0.14 1.13 -0.46 -4.57 117.38 112.74 2q4r n GLN 37 Ca 0.00 0.29 -0.12 0.00 -1.94 0.00 0.00 57.00 55.23 2q4r n GLN 37 Cb 0.00 -0.83 -0.05 0.00 0.11 0.00 0.00 30.24 29.47 2q4r n GLN 37 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 2q4r h LYS 38 N 0.00 0.54 -6.57 -1.09 -0.00 -1.80 -3.45 116.57 104.20 2q4r h LYS 38 Ca 0.00 -0.25 -0.68 0.00 -0.00 0.00 0.00 60.65 59.72 2q4r h LYS 38 Cb 0.00 -0.01 -0.21 0.00 -0.00 0.00 0.00 32.23 32.01 2q4r h LYS 38 CO 0.00 0.81 -0.80 -1.50 -0.00 0.00 0.00 179.45 177.96 2q4r s ILE 39 N -4.53 2.86 0.56 0.07 2.07 -1.23 -4.81 121.20 116.20 2q4r s ILE 39 Ca -0.13 -1.19 -0.18 0.00 -1.41 0.00 0.00 60.65 57.74 2q4r s ILE 39 Cb 0.07 -2.22 -0.05 0.00 0.13 0.00 0.00 42.46 40.39 2q4r s ILE 39 CO 0.78 0.32 1.06 -0.54 -1.91 0.00 0.00 174.94 174.65 2q4r s LYS 40 N -1.51 3.45 0.10 3.50 -0.14 -1.03 -4.15 119.74 119.96 2q4r s LYS 40 Ca 0.15 1.32 0.05 0.00 -1.36 0.00 0.00 55.97 56.13 2q4r s LYS 40 Cb -0.11 -2.04 -0.03 0.00 -1.68 0.00 0.00 37.83 33.97 2q4r s LYS 40 CO 0.06 -0.72 -0.13 0.96 -0.76 0.00 0.00 175.35 174.76 2q4r s ILE 41 N -2.20 1.14 0.20 2.17 -4.36 -1.26 -0.13 121.20 116.76 2q4r s ILE 41 Ca 0.66 -1.57 -0.12 0.00 -0.26 0.00 0.00 60.65 59.36 2q4r s ILE 41 Cb -0.17 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.21 2q4r s ILE 41 CO 0.30 -0.40 0.41 -0.83 0.24 0.00 0.00 174.94 174.66 2q4r s GLY 42 N -2.24 0.35 0.03 6.27 0.00 0.16 -0.56 107.32 111.34 2q4r s GLY 42 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.08 2q4r s GLY 42 CO 0.02 -0.62 -0.09 -1.34 0.00 0.00 0.00 173.10 171.07 2q4r s VAL 43 N -3.96 0.65 0.02 1.40 -7.23 -0.27 -1.87 120.40 109.14 2q4r s VAL 43 Ca 0.17 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2q4r s VAL 43 Cb 0.01 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 2q4r s VAL 43 CO 0.02 -0.21 -0.07 0.54 -0.31 0.00 0.00 175.10 175.07 2q4r s VAL 44 N -1.04 0.51 0.08 1.32 0.11 -1.24 0.22 120.40 120.35 2q4r s VAL 44 Ca -0.05 -0.74 -0.26 0.00 -2.93 0.00 0.00 61.98 57.99 2q4r s VAL 44 Cb -0.08 -0.52 0.08 0.00 -1.53 0.00 0.00 36.38 34.33 2q4r s VAL 44 CO 0.01 -0.18 0.69 -0.83 -3.33 0.00 0.00 175.10 171.46 2q4r s GLY 45 N -1.00 -0.57 0.05 6.54 0.00 -0.55 -4.27 107.32 107.51 2q4r s GLY 45 Ca -0.05 0.81 0.28 0.00 0.00 0.00 0.00 44.72 45.76 2q4r s GLY 45 CO 0.00 0.37 1.83 0.61 0.00 0.00 0.00 173.10 175.91 2q4r n GLY 46 N -0.08 -1.52 3.98 0.20 0.00 -1.26 0.36 105.19 106.88 2q4r n GLY 46 Ca -0.15 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2q4r n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q4r s SER 47 N -3.35 4.70 0.80 1.61 0.01 -1.26 -4.31 113.70 111.90 2q4r s SER 47 Ca 0.13 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 2q4r s SER 47 Cb 0.17 -0.35 0.12 0.00 0.21 0.00 0.00 66.02 66.17 2q4r s SER 47 CO 0.57 -1.59 1.13 1.51 0.41 0.00 0.00 173.24 175.26 2q4r s ASP 48 N -4.62 4.17 0.38 2.44 1.47 -1.26 0.30 116.67 119.55 2q4r s ASP 48 Ca 0.63 0.31 0.10 0.00 1.18 0.00 0.00 52.55 54.76 2q4r s ASP 48 Cb -0.07 -0.70 0.86 0.00 -0.34 0.00 0.00 42.92 42.67 2q4r s ASP 48 CO 0.42 -2.04 1.93 0.15 0.68 0.00 0.00 175.17 176.32 2q4r h PHE 49 N -0.98 0.67 -0.61 2.11 3.57 -1.98 -2.95 116.94 116.77 2q4r h PHE 49 Ca -0.43 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.20 2q4r h PHE 49 Cb 1.28 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.72 2q4r h PHE 49 CO -0.22 0.31 0.16 0.93 -2.23 0.00 0.00 178.31 177.26 2q4r h GLU 50 N 0.62 0.29 0.01 1.11 5.08 -2.00 -1.94 114.58 117.75 2q4r h GLU 50 Ca 0.35 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2q4r h GLU 50 Cb 0.53 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2q4r h GLU 50 CO -0.13 0.19 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.85 2q4r h LYS 51 N 0.30 -0.01 -0.58 2.33 1.63 -1.90 -2.45 116.57 115.89 2q4r h LYS 51 Ca 0.32 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.24 2q4r h LYS 51 Cb 0.47 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.99 2q4r h LYS 51 CO -0.38 0.21 -0.07 0.28 -3.45 0.00 0.00 179.45 176.04 2q4r h VAL 52 N -0.24 0.47 -0.66 2.00 2.07 -1.49 0.20 116.25 118.60 2q4r h VAL 52 Ca -0.00 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2q4r h VAL 52 Cb 0.23 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2q4r h VAL 52 CO 0.00 0.01 0.37 1.56 0.02 0.00 0.00 177.57 179.53 2q4r h GLN 53 N 0.06 0.66 -0.78 1.57 4.20 -1.26 0.37 115.11 119.92 2q4r h GLN 53 Ca 0.29 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.01 2q4r h GLN 53 Cb 0.46 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2q4r h GLN 53 CO -0.55 0.44 0.49 0.93 -0.67 0.00 0.00 178.83 179.47 2q4r h GLU 54 N 0.68 0.89 0.13 1.46 5.08 -0.20 1.14 114.58 123.75 2q4r h GLU 54 Ca 0.30 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.39 2q4r h GLU 54 Cb 0.19 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.26 2q4r h GLU 54 CO -0.18 0.59 -0.93 1.96 -1.00 0.00 0.00 179.01 179.45 2q4r h GLN 55 N 0.92 0.40 -0.09 2.33 4.20 -0.21 -3.38 115.11 119.28 2q4r h GLN 55 Ca 0.33 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2q4r h GLN 55 Cb 0.10 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2q4r h GLN 55 CO -0.14 1.27 0.00 1.28 -0.67 0.00 0.00 178.83 180.56 2q4r n LEU 56 N -4.04 2.55 0.00 1.46 4.77 0.12 0.29 117.00 122.15 2q4r n LEU 56 Ca -0.14 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 2q4r n LEU 56 Cb 0.86 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2q4r n LEU 56 CO 0.51 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2q4r n GLY 57 N 0.97 2.36 0.28 -0.72 0.00 0.39 -4.60 105.19 103.87 2q4r n GLY 57 Ca 0.11 -1.83 0.17 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.60 1.61 2.35 -1.92 -2.82 115.58 114.21 2q4r h ASN 58 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 2q4r h ASN 58 Cb 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.24 2q4r h ASN 58 CO 0.00 0.01 0.27 -0.90 -1.65 0.00 0.00 177.43 175.16 2q4r n ASP 59 N -3.11 3.97 -0.22 5.81 5.75 -1.26 -4.65 116.55 122.84 2q4r n ASP 59 Ca 0.00 -2.96 0.03 0.00 -0.01 0.00 0.00 54.79 51.85 2q4r n ASP 59 Cb 0.30 -0.70 0.13 0.00 -1.03 0.00 0.00 41.12 39.82 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 1.71 0.47 0.00 2.12 3.04 -1.75 -0.12 116.25 121.73 2q4r h VAL 60 Ca 0.26 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 2q4r h VAL 60 Cb 2.03 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 2q4r h VAL 60 CO 0.62 0.03 0.00 1.33 -1.01 0.00 0.00 177.57 178.53 2q4r n VAL 61 N -5.26 1.28 0.16 1.51 0.24 -1.26 -0.94 118.33 114.05 2q4r n VAL 61 Ca 0.11 0.53 0.11 0.00 -2.04 0.00 0.00 64.34 63.05 2q4r n VAL 61 Cb 0.40 -1.49 -0.14 0.00 -1.47 0.00 0.00 33.84 31.14 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 -1.95 0.55 0.09 7.34 1.02 -0.09 -2.39 120.64 125.20 2q4r n GLU 62 Ca 0.00 -0.14 0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2q4r n GLU 62 Cb 0.07 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 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 -5.69 3.49 1.79 -0.62 -3.47 116.57 112.06 2q4r h LYS 63 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2q4r h LYS 63 Cb 0.92 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.33 2q4r h LYS 63 CO 0.00 0.12 -0.81 0.71 -1.08 0.00 0.00 179.45 178.39 2q4r s TYR 64 N -3.19 1.50 0.00 -1.35 2.02 -0.73 -4.74 117.35 110.87 2q4r s TYR 64 Ca -0.01 -0.38 0.22 0.00 -0.37 0.00 0.00 57.07 56.54 2q4r s TYR 64 Cb 0.09 -0.87 0.70 0.00 -0.40 0.00 0.00 41.96 41.47 2q4r s TYR 64 CO 0.79 0.08 1.73 -0.44 -1.57 0.00 0.00 175.55 176.14 2q4r h ASP 65 N 4.70 0.00 -4.41 2.29 3.32 -1.13 -3.38 116.42 117.80 2q4r h ASP 65 Ca -0.41 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.42 2q4r h ASP 65 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.48 2q4r h ASP 65 CO 0.43 0.25 -0.72 -0.31 -1.72 0.00 0.00 179.24 177.17 2q4r s TYR 66 N -3.45 0.23 -0.11 4.55 2.02 0.11 -0.16 117.35 120.54 2q4r s TYR 66 Ca 0.02 -0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 2q4r s TYR 66 Cb 0.09 -0.15 0.06 0.00 -0.40 0.00 0.00 41.96 41.55 2q4r s TYR 66 CO 0.66 -0.09 0.22 0.08 -1.57 0.00 0.00 175.55 174.84 2q4r s VAL 67 N -0.81 -0.31 -0.54 0.71 1.01 -0.78 -1.11 120.40 118.57 2q4r s VAL 67 Ca -0.08 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2q4r s VAL 67 Cb -0.06 -0.38 0.16 0.00 0.00 0.00 0.00 36.38 36.11 2q4r s VAL 67 CO -0.00 0.12 0.37 -0.36 0.00 0.00 0.00 175.10 175.23 2q4r s PHE 68 N 2.21 2.41 0.86 5.22 0.08 0.59 -0.57 117.98 128.79 2q4r s PHE 68 Ca 0.00 -2.79 -0.11 0.00 0.12 0.00 0.00 56.93 54.16 2q4r s PHE 68 Cb -0.12 -1.98 0.11 0.00 -0.57 0.00 0.00 43.02 40.46 2q4r s PHE 68 CO -0.07 -0.70 1.10 -2.14 -0.10 0.00 0.00 175.22 173.31 2q4r s PRO 69 N -0.47 1.54 -1.25 0.24 0.02 -1.11 -1.49 135.00 132.48 2q4r s PRO 69 Ca 0.25 1.20 -0.23 0.00 0.02 0.00 0.00 61.00 62.23 2q4r s PRO 69 Cb -0.09 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.64 2q4r s PRO 69 CO -0.12 -2.16 0.61 0.39 -0.33 0.00 0.00 177.00 175.39 2q4r n GLU 70 N -3.88 -0.91 -0.22 5.54 1.02 0.23 -0.11 120.64 122.32 2q4r n GLU 70 Ca 0.09 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2q4r n GLU 70 Cb 0.53 -3.30 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 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 -2.47 0.00 0.00 1.62 3.02 1.15 -1.95 115.26 116.63 2q4r n ASN 71 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2q4r n ASN 71 Cb 0.60 -1.83 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 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 -2.00 1.17 0.34 7.41 0.00 0.85 -2.40 105.19 110.56 2q4r n GLY 72 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 -8.60 0.99 3.38 -1.40 -3.34 115.31 106.34 2q4r h LEU 73 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2q4r h LEU 73 Cb 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.46 2q4r h LEU 73 CO 0.00 0.00 -0.86 -0.69 0.09 0.00 0.00 178.44 176.98 2q4r s VAL 74 N -4.38 2.30 0.09 1.22 1.01 -1.21 0.10 120.40 119.53 2q4r s VAL 74 Ca -0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 2q4r s VAL 74 Cb 0.13 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2q4r s VAL 74 CO 0.44 0.57 0.14 0.00 0.00 0.00 0.00 175.10 176.25 2q4r s ALA 75 N -0.34 0.05 -0.02 5.51 0.00 0.57 -2.73 121.76 124.80 2q4r s ALA 75 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2q4r s ALA 75 Cb -0.12 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2q4r s ALA 75 CO 0.02 -0.49 0.04 0.71 0.00 0.00 0.00 175.76 176.04 2q4r s TYR 76 N -3.90 -0.03 -0.07 0.00 2.02 0.27 -0.35 117.35 115.29 2q4r s TYR 76 Ca 0.08 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 2q4r s TYR 76 Cb 0.06 -0.07 0.02 0.00 -0.40 0.00 0.00 41.96 41.56 2q4r s TYR 76 CO -0.09 -0.05 -0.07 0.21 -1.57 0.00 0.00 175.55 173.98 2q4r s LYS 77 N 0.43 1.29 -0.92 -0.62 2.20 0.17 -1.87 119.74 120.41 2q4r s LYS 77 Ca -0.03 -0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 2q4r s LYS 77 Cb -0.05 -1.24 0.00 0.00 -1.51 0.00 0.00 37.83 35.03 2q4r s LYS 77 CO -0.01 -0.12 0.69 -0.25 -0.36 0.00 0.00 175.35 175.30 2q4r n ASP 78 N 4.32 -5.73 -0.42 1.43 10.43 0.77 -0.60 116.55 126.75 2q4r n ASP 78 Ca -0.19 -0.77 -0.03 0.00 2.57 0.00 0.00 54.79 56.37 2q4r n ASP 78 Cb 0.51 -3.13 -0.01 0.00 1.84 0.00 0.00 41.12 40.33 2q4r n ASP 78 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2q4r n GLY 79 N -1.72 0.27 3.23 0.44 0.00 -1.01 -4.89 105.19 101.51 2q4r n GLY 79 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.44 3.03 0.16 1.61 2.20 0.23 -4.92 119.74 120.61 2q4r s LYS 80 Ca 0.00 -0.87 -0.34 0.00 -0.36 0.00 0.00 55.97 54.40 2q4r s LYS 80 Cb 0.00 -2.31 -0.13 0.00 -1.51 0.00 0.00 37.83 33.88 2q4r s LYS 80 CO 0.00 0.19 1.61 -0.11 -0.36 0.00 0.00 175.35 176.69 2q4r n LEU 81 N 3.49 3.26 -0.03 5.43 0.00 -1.26 0.42 117.00 128.31 2q4r n LEU 81 Ca -0.19 1.07 -0.05 0.00 0.00 0.00 0.00 56.01 56.85 2q4r n LEU 81 Cb 0.53 -1.45 -0.02 0.00 0.00 0.00 0.00 43.42 42.48 2q4r n LEU 81 CO 0.28 -0.20 -0.37 -0.11 0.00 0.00 0.00 177.39 176.99 2q4r n LEU 82 N 3.64 1.54 -4.20 -1.96 7.94 0.52 -4.80 117.00 119.69 2q4r n LEU 82 Ca 0.17 0.24 -0.12 0.00 -1.11 0.00 0.00 56.01 55.19 2q4r n LEU 82 Cb 0.30 -0.56 -0.10 0.00 0.53 0.00 0.00 43.42 43.59 2q4r n LEU 82 CO 0.64 -0.48 -0.37 0.00 -1.11 0.00 0.00 177.39 176.06 2q4r s ARG 84 N -3.85 0.59 0.09 0.00 0.52 -1.09 -0.31 118.95 114.91 2q4r s ARG 84 Ca 0.16 0.04 0.10 0.00 -0.52 0.00 0.00 55.73 55.51 2q4r s ARG 84 Cb 0.05 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2q4r s ARG 84 CO -0.02 -1.10 -0.27 -1.14 0.02 0.00 0.00 175.30 172.80 2q4r s GLN 85 N 2.32 1.57 0.46 3.54 2.00 0.28 -4.97 119.66 124.86 2q4r s GLN 85 Ca 0.12 -1.25 0.03 0.00 -2.00 0.00 0.00 55.36 52.26 2q4r s GLN 85 Cb -0.10 -1.93 -0.02 0.00 0.80 0.00 0.00 33.01 31.77 2q4r s GLN 85 CO -0.20 0.48 0.09 0.54 -0.50 0.00 0.00 175.29 175.70 2q4r s ASN 86 N -1.70 3.35 0.13 6.67 2.20 -1.26 -4.66 114.94 119.66 2q4r s ASN 86 Ca 0.13 -1.70 -0.04 0.00 -0.94 0.00 0.00 52.86 50.30 2q4r s ASN 86 Cb -0.10 0.58 -0.10 0.00 -2.00 0.00 0.00 41.25 39.63 2q4r s ASN 86 CO 0.04 -0.94 1.30 -0.29 -2.94 0.00 0.00 177.10 174.27 2q4r h ILE 87 N 1.58 1.40 0.00 0.54 2.10 -0.63 -3.08 117.51 119.42 2q4r h ILE 87 Ca -0.38 -2.46 -0.07 0.00 1.08 0.00 0.00 64.86 63.03 2q4r h ILE 87 Cb 1.29 2.43 -0.01 0.00 -1.09 0.00 0.00 36.82 39.44 2q4r h ILE 87 CO 0.62 0.73 -0.34 0.06 -1.08 0.00 0.00 178.15 178.15 2q4r h GLN 88 N 0.23 0.00 0.01 2.19 -0.00 -1.88 -0.31 115.11 115.36 2q4r h GLN 88 Ca -0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.38 2q4r h GLN 88 Cb 1.59 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 29.08 2q4r h GLN 88 CO 0.16 0.34 -0.73 0.77 -0.00 0.00 0.00 178.83 179.37 2q4r h SER 89 N 0.00 0.61 -0.16 0.06 0.02 -1.88 0.52 113.55 112.72 2q4r h SER 89 Ca -0.00 -0.77 -0.02 0.00 -0.84 0.00 0.00 61.79 60.15 2q4r h SER 89 Cb 0.61 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2q4r h SER 89 CO 0.04 1.31 0.01 -0.74 -1.14 0.00 0.00 176.83 176.32 2q4r h HIS 90 N -0.01 0.30 0.00 3.45 -0.00 -1.43 -3.24 115.15 114.21 2q4r h HIS 90 Ca -0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 2q4r h HIS 90 Cb 1.44 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.77 2q4r h HIS 90 CO 0.14 0.47 -0.75 -0.07 -0.00 0.00 0.00 177.93 177.72 2q4r h LEU 91 N 0.04 0.00 0.00 0.26 3.38 -1.16 -3.51 115.31 114.32 2q4r h LEU 91 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2q4r h LEU 91 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2q4r h LEU 91 CO 0.01 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2q4r n GLY 92 N 1.28 -1.14 0.33 0.83 0.00 0.18 -4.26 105.19 102.40 2q4r n GLY 92 Ca 0.02 -1.42 0.03 0.00 0.00 0.00 0.00 46.02 44.65 2q4r n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2q4r h GLU 93 N 0.00 0.74 -0.07 1.61 4.39 -1.90 -2.26 114.58 117.09 2q4r h GLU 93 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2q4r h GLU 93 Cb 0.00 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2q4r h GLU 93 CO 0.00 0.49 0.02 0.00 -1.16 0.00 0.00 179.01 178.36 2q4r h ALA 94 N 1.65 0.09 -0.32 3.43 0.00 -1.92 -1.49 119.26 120.70 2q4r h ALA 94 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2q4r h ALA 94 Cb -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2q4r h ALA 94 CO -0.05 -0.29 0.16 1.25 0.00 0.00 0.00 179.25 180.32 2q4r h LEU 95 N -0.08 0.42 -0.41 0.00 5.85 -1.71 0.22 115.31 119.59 2q4r h LEU 95 Ca 0.02 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2q4r h LEU 95 Cb 0.22 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 2q4r h LEU 95 CO -0.00 0.42 -0.31 0.40 -0.34 0.00 0.00 178.44 178.60 2q4r h ILE 96 N 0.39 0.25 -0.41 4.05 1.08 -1.32 0.98 117.51 122.52 2q4r h ILE 96 Ca 0.11 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.51 2q4r h ILE 96 Cb 0.11 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 2q4r h ILE 96 CO -0.01 0.00 -0.05 1.56 -0.69 0.00 0.00 178.15 178.95 2q4r h GLN 97 N -0.23 0.69 -0.46 2.37 4.20 -0.99 0.59 115.11 121.29 2q4r h GLN 97 Ca 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2q4r h GLN 97 Cb 0.53 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2q4r h GLN 97 CO -0.54 0.75 0.24 -0.44 -0.67 0.00 0.00 178.83 178.17 2q4r h ASP 98 N 0.64 0.58 -0.39 1.46 3.45 0.32 0.58 116.42 123.08 2q4r h ASP 98 Ca 0.12 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 2q4r h ASP 98 Cb 0.48 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 2q4r h ASP 98 CO 0.02 0.52 0.00 -0.07 -1.57 0.00 0.00 179.24 178.15 2q4r h LEU 99 N 0.60 0.67 0.24 1.55 3.38 -0.60 -1.55 115.31 119.60 2q4r h LEU 99 Ca 0.16 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2q4r h LEU 99 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2q4r h LEU 99 CO -0.02 0.81 -0.12 0.40 0.09 0.00 0.00 178.44 179.60 2q4r h ILE 100 N 0.50 0.81 -0.56 1.22 2.04 -0.58 -1.77 117.51 119.17 2q4r h ILE 100 Ca 0.11 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.74 2q4r h ILE 100 Cb 0.46 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 2q4r h ILE 100 CO 0.02 0.07 0.20 0.78 0.00 0.00 0.00 178.15 179.22 2q4r h ASN 101 N -0.48 0.20 0.41 1.72 2.35 0.18 -0.55 115.58 119.40 2q4r h ASN 101 Ca -0.03 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2q4r h ASN 101 Cb 0.36 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 2q4r h ASN 101 CO 0.05 0.13 -0.23 0.22 -1.65 0.00 0.00 177.43 175.95 2q4r h TYR 102 N 0.39 -0.61 -0.94 1.19 3.20 -1.18 -1.24 116.97 117.77 2q4r h TYR 102 Ca 0.28 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.23 2q4r h TYR 102 Cb 0.33 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 2q4r h TYR 102 CO -0.17 -0.37 0.61 0.00 -1.64 0.00 0.00 178.16 176.59 2q4r h LEU 104 N 0.99 -0.53 -1.64 0.00 3.38 -0.74 -0.51 115.31 116.25 2q4r h LEU 104 Ca 0.43 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 2q4r h LEU 104 Cb 0.35 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2q4r h LEU 104 CO -0.19 -0.35 -0.19 0.28 0.09 0.00 0.00 178.44 178.07 2q4r h SER 105 N -0.67 0.00 -0.03 -0.43 0.02 -0.89 -2.25 113.55 109.31 2q4r h SER 105 Ca -0.06 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 2q4r h SER 105 Cb 0.50 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.05 2q4r h SER 105 CO 0.11 0.19 -0.42 0.22 -1.14 0.00 0.00 176.83 175.79 2q4r h TYR 106 N 0.00 0.48 -0.53 3.45 -0.00 -0.75 -3.15 116.97 116.47 2q4r h TYR 106 Ca -0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 58.73 58.45 2q4r h TYR 106 Cb 0.46 -0.06 -0.03 0.00 -0.00 0.00 0.00 36.73 37.10 2q4r h TYR 106 CO 0.00 1.03 0.17 0.82 -0.00 0.00 0.00 178.16 180.18 2q4r h ILE 107 N -0.20 1.21 -0.23 1.81 2.04 -0.88 -1.83 117.51 119.42 2q4r h ILE 107 Ca -0.04 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2q4r h ILE 107 Cb 1.12 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2q4r h ILE 107 CO 0.08 0.27 -0.06 0.00 0.00 0.00 0.00 178.15 178.44 2q4r h ALA 108 N 1.42 1.48 0.00 1.87 0.00 -1.47 -2.79 119.26 119.78 2q4r h ALA 108 Ca 0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2q4r h ALA 108 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2q4r h ALA 108 CO -0.01 0.37 -0.86 0.87 0.00 0.00 0.00 179.25 179.62 2q4r h LYS 109 N 0.34 0.00 -6.31 0.00 1.57 -1.40 -3.46 116.57 107.31 2q4r h LYS 109 Ca 0.07 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.31 2q4r h LYS 109 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 2q4r h LYS 109 CO 0.01 0.22 1.20 0.42 -0.57 0.00 0.00 179.45 180.74 2q4r s ILE 110 N -3.09 3.19 0.13 1.86 1.01 -0.73 -4.94 121.20 118.62 2q4r s ILE 110 Ca 0.01 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 2q4r s ILE 110 Cb 0.08 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 2q4r s ILE 110 CO 0.77 -0.03 1.12 -0.54 0.00 0.00 0.00 174.94 176.26 2q4r s LYS 111 N 4.44 4.54 0.11 2.79 -0.14 -1.26 -5.00 119.74 125.21 2q4r s LYS 111 Ca 0.84 1.71 -0.16 0.00 -1.36 0.00 0.00 55.97 57.00 2q4r s LYS 111 Cb -0.39 -3.31 0.03 0.00 -1.68 0.00 0.00 37.83 32.48 2q4r s LYS 111 CO 0.38 -0.04 0.40 -0.51 -0.76 0.00 0.00 175.35 174.81 2q4r s LEU 112 N 0.19 0.43 0.34 3.17 1.43 -1.26 -5.05 118.68 117.94 2q4r s LEU 112 Ca 0.53 -0.27 0.13 0.00 -1.03 0.00 0.00 54.13 53.49 2q4r s LEU 112 Cb -0.29 1.79 0.61 0.00 0.03 0.00 0.00 46.19 48.34 2q4r s LEU 112 CO 0.33 -0.81 1.75 1.55 0.23 0.00 0.00 176.35 179.39 2q4r h PRO 113 N 2.51 0.00 -2.53 1.29 0.13 -2.00 -3.45 132.00 127.95 2q4r h PRO 113 Ca -0.33 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2q4r h PRO 113 Cb 1.24 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2q4r h PRO 113 CO 0.47 0.45 -0.04 0.15 -0.23 0.00 0.00 178.00 178.80 2q4r s LYS 114 N -3.90 0.87 -0.01 0.86 1.02 -1.26 -5.16 119.74 112.16 2q4r s LYS 114 Ca -0.02 0.02 -0.00 0.00 0.02 0.00 0.00 55.97 55.99 2q4r s LYS 114 Cb 0.13 0.40 0.01 0.00 -0.52 0.00 0.00 37.83 37.86 2q4r s LYS 114 CO 0.73 -0.26 0.02 0.15 -0.92 0.00 0.00 175.35 175.07 2q4r s LYS 115 N -1.32 0.00 0.00 1.68 1.02 -1.26 -4.69 119.74 115.17 2q4r s LYS 115 Ca -0.12 0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.95 2q4r s LYS 115 Cb -0.02 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.21 2q4r s LYS 115 CO 0.07 -0.06 0.00 0.54 -0.92 0.00 0.00 175.35 174.98 2q4r n ARG 116 N 3.43 0.00 -4.02 1.68 5.12 0.38 -5.02 116.66 118.22 2q4r n ARG 116 Ca -0.17 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.65 2q4r n ARG 116 Cb 0.57 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.79 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 0.67 -0.87 -0.13 0.00 -1.26 -4.92 107.32 100.81 2q4r s GLY 117 Ca 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 2q4r s GLY 117 CO 0.00 -0.98 0.76 2.41 0.00 0.00 0.00 173.10 175.29 2q4r n THR 118 N -0.21 -7.48 0.24 0.90 -1.04 -1.26 -1.53 114.28 103.89 2q4r n THR 118 Ca -0.06 -1.05 0.13 0.00 -2.04 0.00 0.00 64.05 61.04 2q4r n THR 118 Cb 0.63 -5.78 0.32 0.00 -1.82 0.00 0.00 70.33 63.68 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 -0.95 0.00 -3.25 -1.42 0.04 -1.92 -2.14 116.94 107.31 2q4r h PHE 119 Ca -0.50 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 59.90 2q4r h PHE 119 Cb 1.26 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 39.02 2q4r h PHE 119 CO 0.26 0.01 -0.73 0.42 -0.60 0.00 0.00 178.31 177.67 2q4r s ILE 120 N -3.34 -0.13 -0.23 -0.55 1.01 -1.26 -1.20 121.20 115.51 2q4r s ILE 120 Ca 0.05 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 2q4r s ILE 120 Cb 0.06 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 2q4r s ILE 120 CO 0.63 0.13 -0.03 -0.70 0.00 0.00 0.00 174.94 174.97 2q4r s GLU 121 N 2.18 3.41 -0.12 2.79 2.12 0.13 -4.99 118.70 124.21 2q4r s GLU 121 Ca 0.05 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.53 2q4r s GLU 121 Cb -0.12 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 2q4r s GLU 121 CO -0.04 -0.20 0.71 0.12 -0.54 0.00 0.00 175.26 175.30 2q4r s PHE 122 N 1.50 3.49 0.12 5.30 5.36 -1.26 -1.53 117.98 130.95 2q4r s PHE 122 Ca 0.06 1.16 0.07 0.00 -0.96 0.00 0.00 56.93 57.26 2q4r s PHE 122 Cb -0.14 -2.84 -0.04 0.00 -0.34 0.00 0.00 43.02 39.66 2q4r s PHE 122 CO -0.02 -0.05 -0.17 1.03 -1.46 0.00 0.00 175.22 174.55 2q4r s ARG 123 N 1.37 1.07 0.56 10.12 0.52 -1.26 -5.01 118.95 126.32 2q4r s ARG 123 Ca 0.35 -1.20 0.30 0.00 -0.52 0.00 0.00 55.73 54.67 2q4r s ARG 123 Cb -0.17 -1.14 1.46 0.00 0.52 0.00 0.00 34.95 35.62 2q4r s ARG 123 CO 0.15 0.24 1.87 -0.91 0.02 0.00 0.00 175.30 176.67 2q4r h ASN 124 N 3.78 0.00 -0.14 0.23 2.35 -1.97 -3.43 115.58 116.40 2q4r h ASN 124 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2q4r h ASN 124 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2q4r h ASN 124 CO 0.45 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 2q4r n GLY 125 N -1.63 3.54 2.82 2.83 0.00 -1.26 0.07 105.19 111.56 2q4r n GLY 125 Ca 0.15 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.75 3.70 -0.05 0.99 1.43 -0.55 -4.56 118.68 117.88 2q4r s LEU 127 Ca 0.21 -3.12 -0.30 0.00 -1.03 0.00 0.00 54.13 49.89 2q4r s LEU 127 Cb 0.16 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 2q4r s LEU 127 CO 0.06 -0.20 1.60 0.21 0.23 0.00 0.00 176.35 178.26 2q4r s ASN 128 N -0.37 6.70 -0.12 2.29 3.84 -0.58 -3.40 114.94 123.30 2q4r s ASN 128 Ca 0.21 2.19 -0.01 0.00 0.21 0.00 0.00 52.86 55.46 2q4r s ASN 128 Cb -0.17 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.97 2q4r s ASN 128 CO -0.06 -0.90 -0.08 -0.69 -2.79 0.00 0.00 177.10 172.58 2q4r s VAL 129 N 3.82 3.51 -0.10 -5.21 1.01 0.35 -0.69 120.40 123.09 2q4r s VAL 129 Ca 0.71 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2q4r s VAL 129 Cb -0.32 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2q4r s VAL 129 CO 0.28 0.54 0.01 -0.55 0.00 0.00 0.00 175.10 175.38 2q4r s SER 130 N -0.01 1.84 0.37 3.32 0.15 -0.34 -0.43 113.70 118.60 2q4r s SER 130 Ca -0.01 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.46 2q4r s SER 130 Cb -0.14 -0.47 0.71 0.00 -1.71 0.00 0.00 66.02 64.42 2q4r s SER 130 CO 0.03 -0.22 2.00 -0.65 1.20 0.00 0.00 173.24 175.61 2q4r h PRO 131 N 8.31 0.66 0.14 5.44 0.11 -1.84 -2.99 132.00 141.84 2q4r h PRO 131 Ca -0.19 -0.06 -0.32 0.00 0.11 0.00 0.00 66.00 65.54 2q4r h PRO 131 Cb 1.12 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2q4r h PRO 131 CO 0.28 0.48 -1.56 0.97 -0.21 0.00 0.00 178.00 177.95 2q4r h ILE 132 N 0.67 1.13 0.00 4.15 2.10 -1.84 -3.45 117.51 120.28 2q4r h ILE 132 Ca 0.17 -2.74 0.00 0.00 1.08 0.00 0.00 64.86 63.37 2q4r h ILE 132 Cb 0.00 2.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.53 2q4r h ILE 132 CO -0.03 0.83 0.00 0.61 -1.08 0.00 0.00 178.15 178.48 2q4r n GLY 133 N 1.71 3.17 0.00 8.18 0.00 -1.13 0.14 105.19 117.26 2q4r n GLY 133 Ca -0.18 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.58 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 0.89 0.00 -0.19 1.61 1.74 -0.58 -1.99 116.66 118.13 2q4r n ARG 134 Ca 0.00 0.44 0.11 0.00 -0.77 0.00 0.00 57.85 57.63 2q4r n ARG 134 Cb 0.00 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.50 3.03 -4.42 0.55 3.41 -1.09 -4.95 113.62 108.64 2q4r n SER 135 Ca 0.01 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.39 2q4r n SER 135 Cb 0.04 -0.25 0.20 0.00 -0.26 0.00 0.00 64.21 63.94 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 -3.51 6.51 0.30 0.00 1.04 -1.26 -4.91 113.70 111.86 2q4r s SER 137 Ca 0.67 0.82 0.05 0.00 0.48 0.00 0.00 55.95 57.97 2q4r s SER 137 Cb -0.17 -2.19 0.73 0.00 0.10 0.00 0.00 66.02 64.49 2q4r s SER 137 CO 0.58 -0.17 1.74 -0.61 0.98 0.00 0.00 173.24 175.76 2q4r h GLN 138 N 1.95 0.60 0.25 4.02 -0.00 -1.98 0.18 115.11 120.13 2q4r h GLN 138 Ca -0.47 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.15 2q4r h GLN 138 Cb 1.18 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.50 2q4r h GLN 138 CO 0.67 0.39 -0.37 0.93 0.00 0.00 0.00 178.83 180.45 2q4r h GLU 139 N 0.61 -0.67 -0.79 1.69 3.07 -2.00 0.38 114.58 116.88 2q4r h GLU 139 Ca 0.57 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.53 2q4r h GLU 139 Cb 0.96 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.97 2q4r h GLU 139 CO -0.43 -0.45 0.52 0.93 -1.40 0.00 0.00 179.01 178.18 2q4r h GLU 140 N -0.69 0.87 -0.61 2.33 5.08 -1.47 -1.43 114.58 118.64 2q4r h GLU 140 Ca -0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2q4r h GLU 140 Cb 0.67 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2q4r h GLU 140 CO -0.14 0.57 0.15 -0.09 -1.00 0.00 0.00 179.01 178.51 2q4r h ARG 141 N 0.89 0.97 -0.24 2.33 2.43 0.30 -2.92 114.38 118.14 2q4r h ARG 141 Ca 0.33 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2q4r h ARG 141 Cb 0.17 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 2q4r h ARG 141 CO -0.11 0.89 -0.15 0.82 -1.51 0.00 0.00 179.97 179.91 2q4r h ILE 142 N 0.89 0.56 -0.36 1.20 1.08 0.84 -1.92 117.51 119.80 2q4r h ILE 142 Ca 0.19 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.73 2q4r h ILE 142 Cb 0.35 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2q4r h ILE 142 CO 0.00 0.00 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.36 2q4r h GLU 143 N -0.13 0.08 -0.56 2.37 4.81 -1.36 -0.85 114.58 118.93 2q4r h GLU 143 Ca 0.13 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2q4r h GLU 143 Cb 0.33 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2q4r h GLU 143 CO -0.32 0.05 0.37 0.35 -0.73 0.00 0.00 179.01 178.73 2q4r h PHE 144 N 0.08 0.65 -0.32 0.92 3.57 -1.28 0.35 116.94 120.90 2q4r h PHE 144 Ca 0.18 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2q4r h PHE 144 Cb 0.25 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2q4r h PHE 144 CO -0.27 0.39 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.27 2q4r h TYR 145 N 0.68 0.63 -0.56 0.41 3.20 -0.42 1.06 116.97 121.97 2q4r h TYR 145 Ca 0.22 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 2q4r h TYR 145 Cb 0.05 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2q4r h TYR 145 CO -0.00 0.70 -0.00 1.05 -1.64 0.00 0.00 178.16 178.27 2q4r h GLU 146 N 0.37 0.98 -0.11 1.82 -0.00 -0.32 0.30 114.58 117.62 2q4r h GLU 146 Ca 0.09 -0.31 -0.01 0.00 -0.00 0.00 0.00 59.36 59.13 2q4r h GLU 146 Cb 0.45 -0.09 -0.00 0.00 -0.00 0.00 0.00 28.75 29.11 2q4r h GLU 146 CO 0.02 0.99 0.04 1.25 -0.00 0.00 0.00 179.01 181.31 2q4r h LEU 147 N 0.87 0.16 -0.80 3.06 5.85 -0.14 -1.05 115.31 123.25 2q4r h LEU 147 Ca 0.16 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2q4r h LEU 147 Cb 0.54 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2q4r h LEU 147 CO 0.03 0.30 0.45 -0.78 -0.34 0.00 0.00 178.44 178.10 2q4r h ASP 148 N 0.01 0.99 -0.68 1.25 3.58 0.13 0.97 116.42 122.69 2q4r h ASP 148 Ca 0.04 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2q4r h ASP 148 Cb 0.19 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2q4r h ASP 148 CO -0.00 0.79 0.39 0.11 -2.88 0.00 0.00 179.24 177.66 2q4r h LYS 149 N 1.11 0.94 0.00 0.28 1.57 -0.20 1.40 116.57 121.67 2q4r h LYS 149 Ca 0.28 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2q4r h LYS 149 Cb 0.01 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.13 2q4r h LYS 149 CO -0.05 0.68 -0.37 1.17 -0.57 0.00 0.00 179.45 180.31 2q4r n LYS 150 N -4.54 0.05 0.00 3.15 0.00 -0.42 -4.21 118.16 112.20 2q4r n LYS 150 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.38 2q4r n LYS 150 Cb 0.07 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.56 2q4r n LYS 150 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2q4r n GLU 151 N -1.61 5.49 -3.70 1.64 -0.58 0.33 -5.03 120.64 117.18 2q4r n GLU 151 Ca 0.06 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.55 2q4r n GLU 151 Cb 0.35 -0.58 0.05 0.00 -0.57 0.00 0.00 31.44 30.70 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 -1.06 -3.84 0.43 1.62 4.13 0.48 -4.93 115.26 112.09 2q4r n ASN 152 Ca 0.00 -0.70 -0.17 0.00 1.68 0.00 0.00 54.58 55.39 2q4r n ASN 152 Cb 0.00 -4.42 -0.08 0.00 -1.54 0.00 0.00 39.78 33.74 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 -2.16 0.00 0.93 2.41 1.08 -1.85 -2.86 117.51 115.06 2q4r h ILE 153 Ca -0.59 -0.13 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 2q4r h ILE 153 Cb 1.36 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2q4r h ILE 153 CO 0.59 0.00 -0.45 0.03 -0.69 0.00 0.00 178.15 177.63 2q4r h ARG 154 N -1.23 -1.21 -1.07 2.37 3.08 -1.91 0.34 114.38 114.75 2q4r h ARG 154 Ca -0.11 0.08 0.29 0.00 0.07 0.00 0.00 59.98 60.31 2q4r h ARG 154 Cb 0.84 0.27 -0.11 0.00 0.08 0.00 0.00 29.97 31.06 2q4r h ARG 154 CO 0.19 -0.81 0.67 0.37 -1.07 0.00 0.00 179.97 179.32 2q4r h GLN 155 N -1.33 0.37 0.18 0.04 4.15 -1.94 0.39 115.11 116.96 2q4r h GLN 155 Ca -0.13 -0.02 -0.31 0.00 0.77 0.00 0.00 58.65 58.96 2q4r h GLN 155 Cb 0.96 -0.08 0.02 0.00 0.21 0.00 0.00 27.48 28.58 2q4r h GLN 155 CO 0.21 0.25 -1.41 -0.22 -1.93 0.00 0.00 178.83 175.72 2q4r h LYS 156 N 0.38 0.37 -0.23 1.69 3.64 -1.42 -1.00 116.57 120.01 2q4r h LYS 156 Ca 0.65 -0.64 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2q4r h LYS 156 Cb 1.60 0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 33.59 2q4r h LYS 156 CO -0.38 1.29 -0.37 0.35 -2.27 0.00 0.00 179.45 178.07 2q4r h PHE 157 N 0.10 -1.05 -0.75 1.91 3.04 0.36 -0.84 116.94 119.71 2q4r h PHE 157 Ca -0.21 0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.82 2q4r h PHE 157 Cb 2.06 0.50 -0.05 0.00 2.56 0.00 0.00 35.95 41.02 2q4r h PHE 157 CO 0.09 -0.43 0.47 0.28 -2.02 0.00 0.00 178.31 176.71 2q4r h VAL 158 N -0.39 1.11 -0.51 1.41 2.07 -0.68 -2.66 116.25 116.59 2q4r h VAL 158 Ca 0.11 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.40 2q4r h VAL 158 Cb 0.58 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 2q4r h VAL 158 CO -0.44 0.17 0.09 0.00 0.02 0.00 0.00 177.57 177.41 2q4r h ALA 159 N 1.32 0.57 -0.50 1.67 0.00 0.17 0.42 119.26 122.90 2q4r h ALA 159 Ca 0.30 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2q4r h ALA 159 Cb 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2q4r h ALA 159 CO -0.11 -0.32 0.10 -0.44 0.00 0.00 0.00 179.25 178.48 2q4r h ASP 160 N 0.22 0.73 0.11 0.00 3.32 -0.95 -2.52 116.42 117.33 2q4r h ASP 160 Ca 0.26 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2q4r h ASP 160 Cb 0.36 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2q4r h ASP 160 CO -0.35 0.73 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.78 2q4r h LEU 161 N 0.75 -0.13 -1.62 1.55 3.38 -0.75 0.44 115.31 118.94 2q4r h LEU 161 Ca 0.16 -0.25 0.21 0.00 0.09 0.00 0.00 57.88 58.09 2q4r h LEU 161 Cb 0.31 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2q4r h LEU 161 CO 0.00 0.19 0.59 -0.09 0.09 0.00 0.00 178.44 179.22 2q4r h ARG 162 N -0.46 0.31 0.00 1.13 2.43 -0.12 0.10 114.38 117.78 2q4r h ARG 162 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2q4r h ARG 162 Cb 0.37 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2q4r h ARG 162 CO 0.03 0.21 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.39 2q4r h LYS 163 N 0.32 0.00 -0.93 0.20 3.64 -1.19 -2.19 116.57 116.42 2q4r h LYS 163 Ca 0.44 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 60.07 2q4r h LYS 163 Cb 1.23 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 2q4r h LYS 163 CO -0.14 0.67 0.64 1.49 -2.27 0.00 0.00 179.45 179.84 2q4r h GLU 164 N -1.00 0.20 0.00 1.90 4.57 0.63 -1.72 114.58 119.15 2q4r h GLU 164 Ca -0.02 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2q4r h GLU 164 Cb 0.70 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2q4r h GLU 164 CO -0.01 0.13 -0.41 1.19 -1.18 0.00 0.00 179.01 178.73 2q4r n PHE 165 N -4.40 0.00 -1.70 0.92 3.72 0.29 -5.04 117.46 111.25 2q4r n PHE 165 Ca 0.20 -1.37 -0.42 0.00 -0.05 0.00 0.00 57.45 55.81 2q4r n PHE 165 Cb 0.87 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 39.15 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 -1.15 2.41 -0.02 4.37 0.00 -0.65 -2.45 120.51 123.03 2q4r n ALA 166 Ca 0.18 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2q4r n ALA 166 Cb 0.69 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 4.09 0.64 1.06 0.00 0.00 -1.26 -4.96 105.19 104.77 2q4r n GLY 167 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2q4r n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q4r n LYS 168 N -2.00 2.38 -3.03 1.61 4.76 -1.03 -4.95 118.16 115.89 2q4r n LYS 168 Ca 0.00 -2.10 -0.13 0.00 -2.87 0.00 0.00 58.31 53.22 2q4r n LYS 168 Cb 0.00 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 31.75 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 1.45 -0.05 3.60 0.72 0.00 -1.26 -4.93 105.19 104.71 2q4r n GLY 169 Ca 0.19 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.92 3.10 0.02 0.99 1.43 -1.26 -1.00 118.68 117.04 2q4r s LEU 170 Ca 0.15 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2q4r s LEU 170 Cb -0.06 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 2q4r s LEU 170 CO 0.47 0.10 -0.06 -0.89 0.23 0.00 0.00 176.35 176.20 2q4r s THR 171 N -1.72 0.39 0.20 5.49 2.01 0.19 -4.80 115.64 117.39 2q4r s THR 171 Ca 0.26 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.56 2q4r s THR 171 Cb -0.09 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2q4r s THR 171 CO 0.16 -0.26 0.01 -0.36 -0.69 0.00 0.00 174.62 173.48 2q4r s PHE 172 N -1.00 2.83 -0.13 4.92 0.08 -1.26 -1.31 117.98 122.11 2q4r s PHE 172 Ca -0.08 -0.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.74 2q4r s PHE 172 Cb -0.07 -1.34 0.05 0.00 -0.57 0.00 0.00 43.02 41.08 2q4r s PHE 172 CO -0.00 0.54 0.32 0.45 -0.10 0.00 0.00 175.22 176.43 2q4r s SER 173 N -3.15 -0.37 -0.38 1.36 0.15 -0.87 -4.93 113.70 105.52 2q4r s SER 173 Ca 0.29 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.65 2q4r s SER 173 Cb -0.09 0.60 0.11 0.00 -1.71 0.00 0.00 66.02 64.93 2q4r s SER 173 CO 0.19 -0.16 0.10 -0.63 1.20 0.00 0.00 173.24 173.94 2q4r s ILE 174 N 0.97 2.36 -0.28 6.45 1.01 -1.26 0.17 121.20 130.61 2q4r s ILE 174 Ca -0.06 -2.57 0.08 0.00 0.00 0.00 0.00 60.65 58.09 2q4r s ILE 174 Cb -0.07 -2.72 0.46 0.00 0.01 0.00 0.00 42.46 40.13 2q4r s ILE 174 CO -0.07 -0.65 1.19 0.61 0.00 0.00 0.00 174.94 176.02 2q4r n GLY 175 N 3.99 6.24 0.00 6.18 0.00 -1.26 -5.05 105.19 115.29 2q4r n GLY 175 Ca 0.04 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.73 2.24 0.00 -0.02 0.00 -1.26 -5.06 105.19 100.36 2q4r n GLY 176 Ca 0.42 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 2.77 0.00 1.61 6.02 -1.26 -4.78 117.38 121.74 2q4r n GLN 177 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2q4r n GLN 177 Cb 0.00 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.42 0.00 -3.91 5.09 -0.00 -1.26 -4.22 119.36 113.64 2q4r n ILE 178 Ca 0.01 -0.29 -0.09 0.00 -0.00 0.00 0.00 62.75 62.37 2q4r n ILE 178 Cb 0.17 1.15 -0.06 0.00 -0.00 0.00 0.00 39.64 40.90 2q4r n ILE 178 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2q4r s SER 179 N -0.37 -0.02 0.29 7.28 1.04 -1.26 -3.57 113.70 117.09 2q4r s SER 179 Ca 0.00 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.68 2q4r s SER 179 Cb 0.00 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.52 2q4r s SER 179 CO 0.00 -0.92 0.06 0.72 0.98 0.00 0.00 173.24 174.08 2q4r s PHE 180 N -3.94 1.76 0.19 5.02 -0.12 0.42 -4.40 117.98 116.91 2q4r s PHE 180 Ca 0.15 -1.02 0.11 0.00 -0.05 0.00 0.00 56.93 56.12 2q4r s PHE 180 Cb 0.02 -1.10 -0.04 0.00 -0.63 0.00 0.00 43.02 41.28 2q4r s PHE 180 CO -0.01 -0.11 -0.24 -0.51 -0.05 0.00 0.00 175.22 174.30 2q4r s ASP 181 N -3.40 3.39 -0.08 1.98 1.01 0.13 -0.49 116.67 119.21 2q4r s ASP 181 Ca 0.36 -0.85 0.00 0.00 0.71 0.00 0.00 52.55 52.76 2q4r s ASP 181 Cb 0.08 -0.25 0.02 0.00 1.01 0.00 0.00 42.92 43.78 2q4r s ASP 181 CO 0.14 0.12 -0.06 -0.69 0.21 0.00 0.00 175.17 174.89 2q4r s VAL 182 N -1.62 0.76 0.20 -1.27 1.01 -1.22 -2.05 120.40 116.22 2q4r s VAL 182 Ca 0.20 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 2q4r s VAL 182 Cb -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.53 2q4r s VAL 182 CO 0.09 0.30 0.53 0.72 0.00 0.00 0.00 175.10 176.74 2q4r s PHE 183 N 1.36 -0.11 0.58 5.22 -0.12 -0.43 -1.49 117.98 122.99 2q4r s PHE 183 Ca -0.03 -0.23 -0.17 0.00 -0.05 0.00 0.00 56.93 56.44 2q4r s PHE 183 Cb -0.14 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2q4r s PHE 183 CO -0.03 -0.92 1.09 -2.14 -0.05 0.00 0.00 175.22 173.17 2q4r s PRO 184 N -3.88 3.27 0.33 1.99 0.02 -1.26 0.55 135.00 136.02 2q4r s PRO 184 Ca 0.09 1.40 -0.29 0.00 0.02 0.00 0.00 61.00 62.23 2q4r s PRO 184 Cb -0.01 -2.01 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 2q4r s PRO 184 CO -0.02 -0.88 1.55 -0.51 -0.33 0.00 0.00 177.00 176.80 2q4r s ASP 185 N -2.30 6.35 0.00 2.53 1.01 -0.17 -2.02 116.67 122.08 2q4r s ASP 185 Ca 0.68 3.01 0.00 0.00 0.71 0.00 0.00 52.55 56.94 2q4r s ASP 185 Cb -0.20 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.08 2q4r s ASP 185 CO 0.32 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.41 2q4r n GLY 186 N 1.37 3.10 3.49 0.21 0.00 -1.26 -4.94 105.19 107.16 2q4r n GLY 186 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.69 2.80 -2.98 1.61 7.02 -0.86 -3.60 117.44 119.74 2q4r n TRP 187 Ca 0.00 -1.69 0.00 0.00 -1.02 0.00 0.00 57.50 54.79 2q4r n TRP 187 Cb 0.00 -2.47 0.00 0.00 -2.42 0.00 0.00 31.31 26.42 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 12.46 0.00 -0.32 -0.99 5.75 -1.26 -4.86 116.55 127.33 2q4r n ASP 188 Ca 0.46 -0.78 0.31 0.00 -0.01 0.00 0.00 54.79 54.77 2q4r n ASP 188 Cb 0.45 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 41.11 2q4r n ASP 188 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2q4r n LYS 189 N 0.00 -0.06 0.21 0.11 4.76 -1.26 -0.65 118.16 121.27 2q4r n LYS 189 Ca 0.00 1.39 0.15 0.00 -2.87 0.00 0.00 58.31 56.98 2q4r n LYS 189 Cb 0.00 -2.47 0.76 0.00 -1.84 0.00 0.00 35.03 31.47 2q4r n LYS 189 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2q4r h ARG 190 N 0.00 0.00 -0.94 1.97 3.08 -1.88 -3.30 114.38 113.32 2q4r h ARG 190 Ca 0.83 0.00 0.13 0.00 0.07 0.00 0.00 59.98 61.01 2q4r h ARG 190 Cb 2.19 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 32.15 2q4r h ARG 190 CO -0.78 0.00 0.57 -0.92 -1.07 0.00 0.00 179.97 177.76 2q4r h TYR 191 N 0.00 1.02 0.00 3.04 3.20 -0.94 -2.81 116.97 120.47 2q4r h TYR 191 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2q4r h TYR 191 Cb 0.09 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2q4r h TYR 191 CO 0.00 0.36 0.00 0.00 -1.64 0.00 0.00 178.16 176.88 2q4r n LEU 193 N -0.56 2.54 -0.38 0.00 4.77 -1.06 -4.27 117.00 118.04 2q4r n LEU 193 Ca 0.00 0.20 0.30 0.00 -0.03 0.00 0.00 56.01 56.48 2q4r n LEU 193 Cb 0.00 -1.05 0.60 0.00 -2.33 0.00 0.00 43.42 40.65 2q4r n LEU 193 CO 0.00 0.76 1.25 0.08 -1.33 0.00 0.00 177.39 178.15 2q4r h ARG 194 N -0.16 0.21 -0.64 3.23 0.11 -1.79 0.34 114.38 115.67 2q4r h ARG 194 Ca -0.45 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2q4r h ARG 194 Cb 1.88 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.91 2q4r h ARG 194 CO -0.01 0.14 0.00 0.72 0.10 0.00 0.00 179.97 180.92 2q4r n HIS 195 N -4.56 1.37 0.00 4.08 8.25 -1.26 -4.29 115.22 118.81 2q4r n HIS 195 Ca 0.30 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 2q4r n HIS 195 Cb 1.16 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 32.03 2q4r n HIS 195 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2q4r n VAL 196 N 0.94 0.00 1.56 1.59 0.24 0.10 -4.82 118.33 117.95 2q4r n VAL 196 Ca 0.23 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.64 2q4r n VAL 196 Cb 0.83 0.13 0.63 0.00 -1.47 0.00 0.00 33.84 33.96 2q4r n VAL 196 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2q4r n GLU 197 N -0.40 0.78 -0.40 7.34 0.28 -0.19 -3.01 120.64 125.04 2q4r n GLU 197 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 2q4r n GLU 197 Cb 0.00 -1.43 0.22 0.00 1.43 0.00 0.00 31.44 31.67 2q4r n GLU 197 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2q4r n ASN 198 N -0.93 3.29 -1.05 -1.84 3.02 -1.26 -4.53 115.26 111.97 2q4r n ASN 198 Ca 0.16 -3.15 0.09 0.00 -0.03 0.00 0.00 54.58 51.65 2q4r n ASN 198 Cb 0.07 -0.53 0.25 0.00 -0.61 0.00 0.00 39.78 38.97 2q4r n ASN 198 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2q4r n ASP 199 N -0.83 3.57 -0.07 6.41 8.00 -1.16 -4.98 116.55 127.48 2q4r n ASP 199 Ca 0.22 -2.06 -0.01 0.00 0.71 0.00 0.00 54.79 53.65 2q4r n ASP 199 Cb 0.85 -0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 1.07 0.35 3.69 0.44 0.00 -1.26 -5.03 105.19 104.45 2q4r n GLY 200 Ca 0.19 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.03 3.53 0.18 1.61 2.02 -1.26 -4.62 117.35 116.77 2q4r s TYR 201 Ca 0.00 1.54 0.08 0.00 -0.37 0.00 0.00 57.07 58.32 2q4r s TYR 201 Cb 0.00 -3.13 0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2q4r s TYR 201 CO 0.00 -0.18 1.42 0.87 -1.57 0.00 0.00 175.55 176.09 2q4r h LYS 202 N 7.06 0.03 -4.01 -0.62 6.56 -1.74 -3.44 116.57 120.41 2q4r h LYS 202 Ca -0.33 -0.03 -0.34 0.00 -1.06 0.00 0.00 60.65 58.89 2q4r h LYS 202 Cb 1.16 0.01 -0.32 0.00 -0.57 0.00 0.00 32.23 32.51 2q4r h LYS 202 CO 0.83 0.85 -0.75 0.99 -2.06 0.00 0.00 179.45 179.31 2q4r s THR 203 N -3.12 0.34 -0.28 -0.16 2.01 -1.24 -5.04 115.64 108.15 2q4r s THR 203 Ca -0.00 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.93 2q4r s THR 203 Cb 0.11 -0.35 0.08 0.00 0.01 0.00 0.00 72.50 72.35 2q4r s THR 203 CO 0.80 0.14 0.01 -0.63 -0.69 0.00 0.00 174.62 174.25 2q4r s ILE 204 N 0.50 1.67 0.36 1.82 1.01 -1.26 -2.15 121.20 123.16 2q4r s ILE 204 Ca -0.05 -1.64 -0.16 0.00 0.00 0.00 0.00 60.65 58.80 2q4r s ILE 204 Cb -0.09 -2.08 -0.09 0.00 0.01 0.00 0.00 42.46 40.21 2q4r s ILE 204 CO -0.01 -0.37 0.80 -0.31 0.00 0.00 0.00 174.94 175.06 2q4r s TYR 205 N 1.27 3.36 -0.04 3.97 2.02 -0.95 -4.22 117.35 122.77 2q4r s TYR 205 Ca 0.02 1.31 0.01 0.00 -0.37 0.00 0.00 57.07 58.05 2q4r s TYR 205 Cb -0.19 -2.62 0.02 0.00 -0.40 0.00 0.00 41.96 38.78 2q4r s TYR 205 CO -0.11 0.01 -0.04 0.12 -1.57 0.00 0.00 175.55 173.97 2q4r s PHE 206 N -2.08 0.67 -0.15 2.71 5.36 -1.26 -1.57 117.98 121.66 2q4r s PHE 206 Ca 0.56 -0.17 0.01 0.00 -0.96 0.00 0.00 56.93 56.37 2q4r s PHE 206 Cb -0.10 -0.60 0.02 0.00 -0.34 0.00 0.00 43.02 42.01 2q4r s PHE 206 CO 0.18 -0.16 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.56 2q4r s PHE 207 N 0.81 2.28 -0.68 10.12 0.08 -0.56 -1.28 117.98 128.75 2q4r s PHE 207 Ca -0.10 -1.29 0.00 0.00 0.12 0.00 0.00 56.93 55.66 2q4r s PHE 207 Cb -0.13 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 2q4r s PHE 207 CO 0.00 -0.69 0.00 0.41 -0.10 0.00 0.00 175.22 174.84 2q4r n GLY 208 N 4.70 -0.78 3.63 4.36 0.00 -1.19 0.12 105.19 116.03 2q4r n GLY 208 Ca -0.18 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2q4r n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q4r s ASP 209 N -4.00 6.23 0.00 1.61 -0.00 -1.26 -2.21 116.67 117.04 2q4r s ASP 209 Ca 0.00 0.25 0.26 0.00 -0.00 0.00 0.00 52.55 53.07 2q4r s ASP 209 Cb 0.00 -2.18 0.78 0.00 -0.00 0.00 0.00 42.92 41.52 2q4r s ASP 209 CO 0.00 -0.10 1.60 2.29 -0.00 0.00 0.00 175.17 178.96 2q4r n LYS 210 N 4.93 0.17 -4.32 8.23 2.85 -1.26 -4.28 118.16 124.47 2q4r n LYS 210 Ca -0.10 -0.08 -0.17 0.00 -1.05 0.00 0.00 58.31 56.91 2q4r n LYS 210 Cb 0.51 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.29 2q4r n LYS 210 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2q4r s THR 211 N -2.88 0.85 0.00 0.58 2.01 -1.26 -0.86 115.64 114.07 2q4r s THR 211 Ca 0.15 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.14 2q4r s THR 211 Cb 0.18 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2q4r s THR 211 CO 0.62 -0.23 0.00 -3.20 -0.69 0.00 0.00 174.62 171.12 2q4r n ASN 216 N -0.42 0.00 0.00 3.53 5.15 -1.26 -4.80 115.26 117.46 2q4r n ASN 216 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 2q4r n ASN 216 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 2q4r n ASN 216 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2q4r n ASP 217 N 0.00 0.00 -4.69 1.20 -0.08 -1.26 -5.14 116.55 106.57 2q4r n ASP 217 Ca 0.00 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 2q4r n ASP 217 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 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 3.41 0.35 -0.67 3.76 -0.04 -4.99 115.29 117.10 2q4r s HIS 218 Ca 0.00 0.61 0.11 0.00 -0.15 0.00 0.00 55.06 55.62 2q4r s HIS 218 Cb 0.00 -2.45 0.63 0.00 1.11 0.00 0.00 32.58 31.87 2q4r s HIS 218 CO 0.00 0.09 1.79 0.93 -0.85 0.00 0.00 174.74 176.70 2q4r h GLU 219 N 7.10 0.09 0.00 1.40 3.07 -1.92 -2.85 114.58 121.46 2q4r h GLU 219 Ca -0.38 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.43 2q4r h GLU 219 Cb 1.16 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2q4r h GLU 219 CO 0.73 0.45 -0.06 0.97 -1.40 0.00 0.00 179.01 179.70 2q4r h ILE 220 N 0.08 0.34 0.00 3.13 2.10 -1.94 0.50 117.51 121.71 2q4r h ILE 220 Ca 0.01 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.62 2q4r h ILE 220 Cb 0.70 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 2q4r h ILE 220 CO 0.05 0.06 0.00 0.15 -1.08 0.00 0.00 178.15 177.33 2q4r h PHE 221 N 0.00 0.00 0.00 2.19 3.57 -1.85 -3.29 116.94 117.56 2q4r h PHE 221 Ca -0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 2q4r h PHE 221 Cb 0.24 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 2q4r h PHE 221 CO 0.00 0.00 -1.88 0.25 -2.23 0.00 0.00 178.31 174.45 2q4r n THR 222 N -2.65 0.88 -1.71 4.41 -2.24 0.09 -4.31 114.28 108.75 2q4r n THR 222 Ca 0.02 -0.54 -0.67 0.00 -2.27 0.00 0.00 64.05 60.60 2q4r n THR 222 Cb 0.32 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.49 1.03 0.26 3.42 -0.08 -0.73 -4.71 116.55 113.26 2q4r n ASP 223 Ca -0.21 1.18 0.09 0.00 -1.51 0.00 0.00 54.79 54.35 2q4r n ASP 223 Cb 0.91 -0.89 0.49 0.00 2.34 0.00 0.00 41.12 43.98 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 4.71 0.00 0.00 -0.67 0.13 -1.93 0.26 132.00 134.51 2q4r h PRO 224 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2q4r h PRO 224 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2q4r h PRO 224 CO 0.93 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 178.50 2q4r h ARG 225 N 0.00 0.00 0.00 0.86 3.08 -1.95 -3.51 114.38 112.86 2q4r h ARG 225 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q4r h ARG 225 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2q4r h ARG 225 CO 0.00 0.20 0.00 0.25 -1.07 0.00 0.00 179.97 179.35 2q4r n THR 226 N -3.26 0.00 -3.59 2.04 -2.24 0.92 -4.16 114.28 103.98 2q4r n THR 226 Ca 0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2q4r n THR 226 Cb 0.48 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.52 -0.32 3.38 0.00 -1.26 -4.85 107.32 103.76 2q4r s GLY 228 Ca 0.00 1.83 0.01 0.00 0.00 0.00 0.00 44.72 46.55 2q4r s GLY 228 CO 0.00 1.46 0.33 -0.19 0.00 0.00 0.00 173.10 174.70 2q4r s TYR 229 N -0.22 -0.46 -0.05 1.90 2.02 -0.40 -4.94 117.35 115.19 2q4r s TYR 229 Ca -0.04 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2q4r s TYR 229 Cb -0.03 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 41.09 2q4r s TYR 229 CO 0.04 -0.94 0.99 -1.54 -1.57 0.00 0.00 175.55 172.53 2q4r s SER 230 N 2.09 7.31 0.28 2.29 1.04 -1.26 -3.15 113.70 122.30 2q4r s SER 230 Ca 0.12 1.60 0.08 0.00 0.48 0.00 0.00 55.95 58.23 2q4r s SER 230 Cb -0.14 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2q4r s SER 230 CO -0.23 -0.35 0.10 0.68 0.98 0.00 0.00 173.24 174.41 2q4r s VAL 231 N 1.51 3.61 -2.03 5.02 -7.23 -0.94 -4.92 120.40 115.42 2q4r s VAL 231 Ca 0.50 -1.70 0.22 0.00 -1.81 0.00 0.00 61.98 59.19 2q4r s VAL 231 Cb -0.20 -3.04 -0.00 0.00 0.56 0.00 0.00 36.38 33.70 2q4r s VAL 231 CO 0.23 -0.31 1.07 0.35 -0.31 0.00 0.00 175.10 176.13 2q4r n THR 232 N -1.05 0.00 0.00 5.32 -2.24 -1.26 -4.74 114.28 110.30 2q4r n THR 232 Ca -0.06 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2q4r n THR 232 Cb 0.59 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.03 0.00 0.12 6.98 0.00 -1.23 -4.97 120.51 121.45 2q4r n ALA 233 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.61 2q4r n ALA 233 Cb 0.46 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.48 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 0.21 0.00 0.00 0.11 -1.46 -1.22 132.00 129.64 2q4r h PRO 234 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2q4r h PRO 234 Cb 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 2q4r h PRO 234 CO 0.00 0.14 -0.07 0.93 -0.21 0.00 0.00 178.00 178.79 2q4r h GLU 235 N 0.22 0.00 0.05 1.05 3.07 -1.90 -2.30 114.58 114.76 2q4r h GLU 235 Ca 0.09 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.81 2q4r h GLU 235 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2q4r h GLU 235 CO -0.02 0.07 -0.72 -0.44 -1.40 0.00 0.00 179.01 176.51 2q4r h ASP 236 N 0.00 0.16 -0.84 1.42 5.19 -1.61 -2.41 116.42 118.33 2q4r h ASP 236 Ca -0.00 -0.85 0.21 0.00 -0.62 0.00 0.00 57.03 55.77 2q4r h ASP 236 Cb 0.14 -0.05 -0.13 0.00 0.18 0.00 0.00 39.33 39.46 2q4r h ASP 236 CO 0.01 1.31 0.19 0.74 -3.12 0.00 0.00 179.24 178.36 2q4r h THR 237 N -0.75 0.36 -0.08 0.35 2.02 -1.13 0.51 112.91 114.18 2q4r h THR 237 Ca -0.17 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 2q4r h THR 237 Cb 1.33 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2q4r h THR 237 CO -0.01 0.04 -0.30 0.03 0.37 0.00 0.00 175.52 175.64 2q4r h ARG 238 N 0.21 0.35 -0.58 6.66 3.08 -1.54 -2.81 114.38 119.74 2q4r h ARG 238 Ca 0.51 -0.27 0.10 0.00 0.07 0.00 0.00 59.98 60.39 2q4r h ARG 238 Cb 0.97 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.99 2q4r h ARG 238 CO -0.63 0.90 0.16 -0.09 -1.07 0.00 0.00 179.97 179.24 2q4r h ARG 239 N -0.13 0.30 -0.01 0.04 2.43 -0.60 -1.39 114.38 115.02 2q4r h ARG 239 Ca -0.01 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 2q4r h ARG 239 Cb 0.94 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2q4r h ARG 239 CO 0.06 0.20 -0.63 0.82 -1.51 0.00 0.00 179.97 178.91 2q4r h ILE 240 N 0.31 1.45 -0.04 1.20 2.04 -1.06 -2.91 117.51 118.51 2q4r h ILE 240 Ca 0.30 -2.15 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 2q4r h ILE 240 Cb 0.41 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2q4r h ILE 240 CO -0.35 0.62 -0.07 0.00 0.00 0.00 0.00 178.15 178.34 2q4r h GLU 242 N 0.06 0.00 -0.87 0.00 3.07 -1.24 -1.65 114.58 113.94 2q4r h GLU 242 Ca 0.01 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.55 2q4r h GLU 242 Cb 0.17 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 27.89 2q4r h GLU 242 CO 0.01 0.67 0.41 -0.11 -1.40 0.00 0.00 179.01 178.59 2q4r n LEU 243 N -3.41 6.11 0.00 1.33 7.94 -0.58 -4.04 117.00 124.34 2q4r n LEU 243 Ca 0.00 -3.21 0.00 0.00 -1.11 0.00 0.00 56.01 51.69 2q4r n LEU 243 Cb 0.75 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.93 2q4r n LEU 243 CO 0.42 0.87 0.00 -0.11 -1.11 0.00 0.00 177.39 177.47 2q4r n LEU 244 N -0.49 0.00 0.00 -1.96 7.94 -0.87 -5.02 117.00 116.60 2q4r n LEU 244 Ca 0.46 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 2q4r n LEU 244 Cb 1.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.39 2q4r n LEU 244 CO 0.48 0.00 0.00 0.49 -1.11 0.00 0.00 177.39 177.25 2q4r n PHE 245 N 0.00 0.00 -0.36 1.96 3.72 -0.63 -5.06 117.46 117.10 2q4r n PHE 245 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2q4r n PHE 245 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2q4r n PHE 245 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58