#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl8 s ARG 12 N 0.00 3.25 0.23 5.31 0.52 -1.26 -4.88 118.95 122.13 1xl8 s ARG 12 Ca 0.00 -0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 54.59 1xl8 s ARG 12 Cb 0.00 -2.92 0.40 0.00 0.52 0.00 0.00 34.95 32.94 1xl8 s ARG 12 CO 0.00 0.58 1.70 1.15 0.02 0.00 0.00 175.30 178.74 1xl8 h THR 13 N 2.16 0.57 -0.39 0.02 2.02 -1.58 -2.93 112.91 112.77 1xl8 h THR 13 Ca -0.46 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1xl8 h THR 13 Cb 1.17 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1xl8 h THR 13 CO 0.72 0.05 0.00 0.49 0.37 0.00 0.00 175.52 177.15 1xl8 n PHE 14 N -5.14 1.15 0.43 3.16 3.01 -1.26 -4.66 117.46 114.15 1xl8 n PHE 14 Ca 0.12 -0.75 0.08 0.00 1.01 0.00 0.00 57.45 57.91 1xl8 n PHE 14 Cb 0.40 -0.29 0.36 0.00 -0.01 0.00 0.00 39.48 39.94 1xl8 n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xl8 n GLN 15 N 0.10 0.07 0.00 -1.08 10.64 -1.11 -2.79 117.38 123.21 1xl8 n GLN 15 Ca 0.22 0.33 0.11 0.00 -1.83 0.00 0.00 57.00 55.83 1xl8 n GLN 15 Cb 0.87 -1.64 0.07 0.00 -0.86 0.00 0.00 30.24 28.69 1xl8 n GLN 15 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1xl8 n TYR 16 N -1.77 0.00 -0.36 2.61 4.01 -1.26 -4.54 117.16 115.85 1xl8 n TYR 16 Ca 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.75 1xl8 n TYR 16 Cb 0.18 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.32 1xl8 n TYR 16 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1xl8 h GLN 17 N 3.93 1.25 0.00 -0.72 1.08 -1.88 -1.78 115.11 117.00 1xl8 h GLN 17 Ca 0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1xl8 h GLN 17 Cb 0.89 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1xl8 h GLN 17 CO 0.00 0.83 0.00 -0.25 -0.95 0.00 0.00 178.83 178.46 1xl8 n ASP 18 N -4.43 0.00 -0.41 1.46 8.00 -1.26 -2.81 116.55 117.10 1xl8 n ASP 18 Ca 0.12 0.38 0.08 0.00 0.71 0.00 0.00 54.79 56.08 1xl8 n ASP 18 Cb 0.04 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.70 1xl8 n ASP 18 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xl8 n SER 19 N -1.45 1.75 -4.77 -2.24 3.41 -0.70 -4.99 113.62 104.63 1xl8 n SER 19 Ca 0.06 -1.37 -0.40 0.00 -0.26 0.00 0.00 58.87 56.90 1xl8 n SER 19 Cb 0.23 0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1xl8 n SER 19 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xl8 s LEU 20 N -1.97 4.37 0.65 1.04 1.43 -1.01 -5.00 118.68 118.19 1xl8 s LEU 20 Ca 0.14 2.65 -0.13 0.00 -1.03 0.00 0.00 54.13 55.77 1xl8 s LEU 20 Cb 0.13 -3.73 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1xl8 s LEU 20 CO 0.39 -0.60 1.05 -2.16 0.23 0.00 0.00 176.35 175.26 1xl8 s PRO 21 N -1.92 3.16 0.55 1.29 0.04 -1.26 -4.59 135.00 132.27 1xl8 s PRO 21 Ca 0.51 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1xl8 s PRO 21 Cb -0.39 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1xl8 s PRO 21 CO 0.51 -0.92 1.14 -1.12 0.04 0.00 0.00 177.00 176.65 1xl8 s SER 22 N -3.49 5.62 0.16 6.66 0.01 -1.26 -1.10 113.70 120.31 1xl8 s SER 22 Ca 0.59 2.22 -0.31 0.00 1.31 0.00 0.00 55.95 59.76 1xl8 s SER 22 Cb -0.14 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 1xl8 s SER 22 CO 0.48 -1.29 1.50 -0.22 0.41 0.00 0.00 173.24 174.13 1xl8 s LEU 23 N -3.85 4.37 0.66 2.44 2.96 -0.32 -4.79 118.68 120.16 1xl8 s LEU 23 Ca 0.74 2.54 -0.08 0.00 -0.22 0.00 0.00 54.13 57.11 1xl8 s LEU 23 Cb -0.25 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.87 1xl8 s LEU 23 CO 0.28 -0.76 0.99 -2.16 -1.32 0.00 0.00 176.35 173.38 1xl8 s PRO 24 N 0.96 2.71 -0.22 0.98 0.04 -1.26 -4.71 135.00 133.49 1xl8 s PRO 24 Ca 0.67 0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 1xl8 s PRO 24 Cb -0.42 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 31.98 1xl8 s PRO 24 CO 0.32 -0.95 -0.09 0.08 0.04 0.00 0.00 177.00 176.40 1xl8 s VAL 25 N -3.18 2.80 1.11 -0.36 1.01 -1.26 -5.00 120.40 115.51 1xl8 s VAL 25 Ca 0.57 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1xl8 s VAL 25 Cb -0.11 -2.33 0.25 0.00 0.00 0.00 0.00 36.38 34.20 1xl8 s VAL 25 CO 0.47 0.34 1.05 -2.84 0.00 0.00 0.00 175.10 174.13 1xl8 s PRO 26 N 1.36 -0.49 0.25 2.72 0.02 -1.26 -4.95 135.00 132.64 1xl8 s PRO 26 Ca 0.03 0.97 -0.30 0.00 0.02 0.00 0.00 61.00 61.72 1xl8 s PRO 26 Cb -0.15 -1.59 -0.09 0.00 0.02 0.00 0.00 34.50 32.69 1xl8 s PRO 26 CO -0.06 -3.48 1.11 0.00 -0.33 0.00 0.00 177.00 174.24 1xl8 s ALA 27 N -2.52 3.40 0.14 -1.55 0.00 -1.26 -4.94 121.76 115.03 1xl8 s ALA 27 Ca 0.68 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 1xl8 s ALA 27 Cb -0.24 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1xl8 s ALA 27 CO 0.63 -0.19 1.68 1.25 0.00 0.00 0.00 175.76 179.13 1xl8 h LEU 28 N 4.23 -0.34 -0.82 0.00 6.46 -1.99 -1.79 115.31 121.05 1xl8 h LEU 28 Ca -0.46 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.40 1xl8 h LEU 28 Cb 1.21 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.29 1xl8 h LEU 28 CO 0.69 -0.13 0.54 -0.08 -0.62 0.00 0.00 178.44 178.83 1xl8 h GLU 29 N -0.07 1.06 -0.27 1.25 4.81 -1.97 -1.67 114.58 117.71 1xl8 h GLU 29 Ca 0.12 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1xl8 h GLU 29 Cb 0.25 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1xl8 h GLU 29 CO -0.27 0.70 0.14 0.93 -0.73 0.00 0.00 179.01 179.78 1xl8 h GLU 30 N 1.10 0.29 -0.35 1.92 4.39 -1.84 -1.46 114.58 118.61 1xl8 h GLU 30 Ca 0.30 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1xl8 h GLU 30 Cb -0.11 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1xl8 h GLU 30 CO -0.07 0.19 0.21 0.77 -1.16 0.00 0.00 179.01 178.95 1xl8 h SER 31 N 0.30 0.43 -0.30 1.42 0.02 -0.95 -2.28 113.55 112.18 1xl8 h SER 31 Ca 0.11 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1xl8 h SER 31 Cb 0.03 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1xl8 h SER 31 CO -0.07 0.36 0.00 -0.07 -1.14 0.00 0.00 176.83 175.91 1xl8 h LEU 32 N 0.46 0.61 -0.54 5.07 3.38 -1.15 -0.61 115.31 122.52 1xl8 h LEU 32 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xl8 h LEU 32 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1xl8 h LEU 32 CO -0.02 0.68 0.12 0.11 0.09 0.00 0.00 178.44 179.41 1xl8 h LYS 33 N 0.61 0.88 -0.30 1.13 1.57 -1.04 0.11 116.57 119.52 1xl8 h LYS 33 Ca 0.13 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1xl8 h LYS 33 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1xl8 h LYS 33 CO 0.01 0.84 -0.21 0.87 -0.57 0.00 0.00 179.45 180.39 1xl8 h LYS 34 N 0.78 0.57 0.16 3.15 1.57 -1.05 -1.44 116.57 120.30 1xl8 h LYS 34 Ca 0.17 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1xl8 h LYS 34 Cb 0.37 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xl8 h LYS 34 CO 0.01 0.75 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.64 1xl8 h TYR 35 N 0.51 -0.20 -0.76 -1.35 -0.00 -0.65 -1.89 116.97 112.63 1xl8 h TYR 35 Ca 0.08 -0.00 0.11 0.00 -0.00 0.00 0.00 58.73 58.92 1xl8 h TYR 35 Cb 0.65 0.07 -0.08 0.00 -0.00 0.00 0.00 36.73 37.37 1xl8 h TYR 35 CO 0.03 0.08 0.37 -0.07 -0.00 0.00 0.00 178.16 178.56 1xl8 h LEU 36 N -0.48 0.45 -1.19 2.82 3.38 -0.65 -1.07 115.31 118.57 1xl8 h LEU 36 Ca -0.02 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1xl8 h LEU 36 Cb 0.37 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xl8 h LEU 36 CO 0.04 0.23 -0.09 -0.08 0.09 0.00 0.00 178.44 178.62 1xl8 h GLU 37 N 0.59 0.45 0.00 1.13 4.57 -1.18 -3.01 114.58 117.13 1xl8 h GLU 37 Ca 0.39 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1xl8 h GLU 37 Cb 0.48 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1xl8 h GLU 37 CO -0.31 0.55 -0.18 0.66 -1.18 0.00 0.00 179.01 178.55 1xl8 h SER 38 N 0.43 0.00 0.96 1.04 4.64 -0.35 -3.12 113.55 117.15 1xl8 h SER 38 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xl8 h SER 38 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1xl8 h SER 38 CO 0.02 0.18 -0.47 1.33 -0.87 0.00 0.00 176.83 177.03 1xl8 n VAL 39 N -3.30 0.36 -0.24 0.95 0.24 -1.07 -4.26 118.33 111.01 1xl8 n VAL 39 Ca 0.01 -0.24 0.04 0.00 -2.04 0.00 0.00 64.34 62.10 1xl8 n VAL 39 Cb 0.44 -0.20 0.16 0.00 -1.47 0.00 0.00 33.84 32.77 1xl8 n VAL 39 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1xl8 h LYS 40 N 0.00 0.41 0.00 7.34 1.57 -1.59 -1.14 116.57 123.16 1xl8 h LYS 40 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xl8 h LYS 40 Cb 0.72 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1xl8 h LYS 40 CO 0.00 0.27 0.00 -2.30 -0.57 0.00 0.00 179.45 176.85 1xl8 n PRO 41 N -5.01 0.13 -0.16 3.15 -0.02 -1.26 -2.04 135.00 129.79 1xl8 n PRO 41 Ca 0.13 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 1xl8 n PRO 41 Cb 0.38 -1.94 0.13 0.00 -0.02 0.00 0.00 33.50 32.05 1xl8 n PRO 41 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xl8 n PHE 42 N -2.23 0.34 -4.05 6.00 3.72 -0.44 -4.95 117.46 115.85 1xl8 n PHE 42 Ca -0.01 -0.69 -0.09 0.00 -0.05 0.00 0.00 57.45 56.61 1xl8 n PHE 42 Cb 0.04 -0.12 -0.11 0.00 -0.94 0.00 0.00 39.48 38.35 1xl8 n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xl8 s ALA 43 N -1.80 0.39 0.60 4.37 0.00 -0.86 -5.03 121.76 119.42 1xl8 s ALA 43 Ca 0.23 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1xl8 s ALA 43 Cb 0.17 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.57 1xl8 s ALA 43 CO 0.07 -0.23 0.83 0.54 0.00 0.00 0.00 175.76 176.97 1xl8 s ASN 44 N -2.17 4.95 0.20 0.00 2.20 -1.26 -4.85 114.94 114.01 1xl8 s ASN 44 Ca -0.04 -0.74 -0.17 0.00 -0.94 0.00 0.00 52.86 50.97 1xl8 s ASN 44 Cb -0.02 0.21 0.19 0.00 -2.00 0.00 0.00 41.25 39.64 1xl8 s ASN 44 CO -0.05 -1.44 1.60 -0.33 -2.94 0.00 0.00 177.10 173.94 1xl8 h GLU 45 N 0.03 -0.09 0.39 3.55 5.08 -1.99 -1.43 114.58 120.13 1xl8 h GLU 45 Ca -0.31 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1xl8 h GLU 45 Cb 1.28 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1xl8 h GLU 45 CO 0.41 -0.06 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.73 1xl8 h ASP 46 N -0.09 -0.45 -0.49 1.42 3.32 -1.99 -0.90 116.42 117.25 1xl8 h ASP 46 Ca 0.28 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.33 1xl8 h ASP 46 Cb 0.53 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1xl8 h ASP 46 CO -0.70 -0.20 0.18 -0.33 -1.72 0.00 0.00 179.24 176.47 1xl8 h GLU 47 N -0.67 0.36 -0.10 3.56 5.08 -1.92 0.20 114.58 121.08 1xl8 h GLU 47 Ca -0.05 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xl8 h GLU 47 Cb 0.48 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1xl8 h GLU 47 CO 0.09 0.24 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.41 1xl8 h TYR 48 N 0.37 -0.02 -0.91 4.33 3.20 -1.20 0.50 116.97 123.25 1xl8 h TYR 48 Ca 0.23 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1xl8 h TYR 48 Cb 0.23 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1xl8 h TYR 48 CO -0.15 -0.02 0.60 0.87 -1.64 0.00 0.00 178.16 177.82 1xl8 h LYS 49 N 0.03 1.16 0.18 1.82 1.79 -0.72 0.40 116.57 121.23 1xl8 h LYS 49 Ca 0.05 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1xl8 h LYS 49 Cb 0.06 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1xl8 h LYS 49 CO -0.09 0.77 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.75 1xl8 h LYS 50 N 1.20 -0.24 -0.60 3.15 3.64 -0.39 -1.10 116.57 122.24 1xl8 h LYS 50 Ca 0.34 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1xl8 h LYS 50 Cb -0.08 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1xl8 h LYS 50 CO -0.09 -0.14 0.36 1.15 -2.27 0.00 0.00 179.45 178.46 1xl8 h THR 51 N -0.27 1.18 -0.84 1.00 2.02 -0.24 -1.43 112.91 114.33 1xl8 h THR 51 Ca -0.03 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1xl8 h THR 51 Cb 0.20 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 1xl8 h THR 51 CO 0.04 0.18 0.55 -0.08 0.37 0.00 0.00 175.52 176.58 1xl8 h GLU 52 N 0.81 1.02 -0.19 6.66 4.81 -0.04 0.87 114.58 128.52 1xl8 h GLU 52 Ca 0.21 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1xl8 h GLU 52 Cb -0.02 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1xl8 h GLU 52 CO -0.04 0.67 0.01 1.49 -0.73 0.00 0.00 179.01 180.42 1xl8 h GLU 53 N 1.05 0.32 -0.40 1.92 4.57 -0.63 -1.54 114.58 119.87 1xl8 h GLU 53 Ca 0.33 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1xl8 h GLU 53 Cb 0.01 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1xl8 h GLU 53 CO -0.09 0.50 0.23 0.82 -1.18 0.00 0.00 179.01 179.29 1xl8 h ILE 54 N 0.09 1.03 -0.80 2.32 2.04 -0.56 -2.09 117.51 119.54 1xl8 h ILE 54 Ca 0.05 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1xl8 h ILE 54 Cb 0.35 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1xl8 h ILE 54 CO 0.01 0.08 0.37 0.58 0.00 0.00 0.00 178.15 179.19 1xl8 h VAL 55 N 0.46 1.25 -0.51 1.67 2.07 -0.73 -1.32 116.25 119.14 1xl8 h VAL 55 Ca 0.16 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1xl8 h VAL 55 Cb 0.02 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1xl8 h VAL 55 CO -0.08 0.31 0.09 1.56 0.02 0.00 0.00 177.57 179.46 1xl8 h GLN 56 N 1.14 0.84 -0.60 1.57 4.20 -0.96 -0.32 115.11 120.98 1xl8 h GLN 56 Ca 0.27 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1xl8 h GLN 56 Cb 0.13 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1xl8 h GLN 56 CO -0.03 0.83 0.04 0.87 -0.67 0.00 0.00 178.83 179.87 1xl8 h LYS 57 N 0.72 1.02 0.31 1.46 1.57 -1.16 -2.20 116.57 118.29 1xl8 h LYS 57 Ca 0.16 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1xl8 h LYS 57 Cb 0.40 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xl8 h LYS 57 CO 0.01 0.97 -0.15 0.35 -0.57 0.00 0.00 179.45 180.06 1xl8 h PHE 58 N 0.95 -0.40 -0.96 -1.35 3.57 -0.96 0.21 116.94 118.01 1xl8 h PHE 58 Ca 0.18 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.82 1xl8 h PHE 58 Cb 0.49 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 1xl8 h PHE 58 CO 0.03 -0.25 0.60 0.37 -2.23 0.00 0.00 178.31 176.84 1xl8 h GLN 59 N -0.43 0.78 0.07 1.11 4.15 -0.89 -0.56 115.11 119.34 1xl8 h GLN 59 Ca -0.04 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.07 1xl8 h GLN 59 Cb 0.33 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1xl8 h GLN 59 CO 0.07 0.52 -1.30 0.93 -1.93 0.00 0.00 178.83 177.11 1xl8 h GLU 60 N 0.80 0.14 0.00 1.69 5.08 -1.02 -3.30 114.58 117.97 1xl8 h GLU 60 Ca 0.49 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1xl8 h GLU 60 Cb 0.69 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1xl8 h GLU 60 CO -0.26 1.03 0.00 0.41 -1.00 0.00 0.00 179.01 179.19 1xl8 n GLY 61 N 1.51 0.55 0.24 -3.84 0.00 0.72 -4.74 105.19 99.64 1xl8 n GLY 61 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1xl8 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl8 h ALA 62 N -0.89 0.64 -0.64 4.61 0.00 -1.76 -2.15 119.26 119.06 1xl8 h ALA 62 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1xl8 h ALA 62 Cb 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1xl8 h ALA 62 CO 0.00 -0.39 0.33 0.78 0.00 0.00 0.00 179.25 179.97 1xl8 h GLY 63 N 0.13 0.94 1.10 0.00 0.00 -1.41 0.52 103.07 104.34 1xl8 h GLY 63 Ca 0.33 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.49 1xl8 h GLY 63 CO -0.54 0.10 0.50 1.70 0.00 0.00 0.00 176.54 178.30 1xl8 h LYS 64 N 0.60 0.86 0.03 4.80 3.64 -1.36 0.23 116.57 125.37 1xl8 h LYS 64 Ca 0.30 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.39 1xl8 h LYS 64 Cb 0.25 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1xl8 h LYS 64 CO -0.22 0.57 -0.97 -0.09 -2.27 0.00 0.00 179.45 176.48 1xl8 h ARG 65 N 0.89 0.61 -0.22 1.90 9.65 -1.08 -2.30 114.38 123.83 1xl8 h ARG 65 Ca 0.31 -0.69 -0.10 0.00 -1.10 0.00 0.00 59.98 58.40 1xl8 h ARG 65 Cb 0.11 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1xl8 h ARG 65 CO -0.09 1.28 -0.29 -0.07 2.80 0.00 0.00 179.97 183.60 1xl8 h LEU 66 N 0.23 0.44 -0.37 3.80 3.38 -0.55 -1.72 115.31 120.52 1xl8 h LEU 66 Ca -0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1xl8 h LEU 66 Cb 1.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1xl8 h LEU 66 CO 0.19 0.72 0.00 -0.74 0.09 0.00 0.00 178.44 178.70 1xl8 h HIS 67 N 0.38 0.71 -0.93 1.13 2.76 -0.58 0.08 115.15 118.70 1xl8 h HIS 67 Ca 0.05 -0.12 0.05 0.00 -2.20 0.00 0.00 60.37 58.15 1xl8 h HIS 67 Cb 0.71 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.42 1xl8 h HIS 67 CO 0.02 0.75 0.60 0.37 -1.30 0.00 0.00 177.93 178.36 1xl8 h GLN 68 N 0.47 1.09 -0.03 5.26 5.75 -1.13 -0.18 115.11 126.35 1xl8 h GLN 68 Ca 0.11 -0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.43 1xl8 h GLN 68 Cb 0.46 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1xl8 h GLN 68 CO 0.02 0.72 -0.51 0.87 -2.65 0.00 0.00 178.83 177.28 1xl8 h LYS 69 N 1.12 0.08 -0.47 1.69 1.57 -0.98 -2.37 116.57 117.22 1xl8 h LYS 69 Ca 0.39 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1xl8 h LYS 69 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1xl8 h LYS 69 CO -0.15 0.57 -0.20 1.25 -0.57 0.00 0.00 179.45 180.35 1xl8 h LEU 70 N 0.06 0.99 -0.79 2.94 6.46 0.28 -2.16 115.31 123.10 1xl8 h LEU 70 Ca -0.00 -0.39 -0.01 0.00 -0.12 0.00 0.00 57.88 57.36 1xl8 h LEU 70 Cb 0.92 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1xl8 h LEU 70 CO 0.07 1.16 0.47 -0.07 -0.62 0.00 0.00 178.44 179.45 1xl8 h LEU 71 N 0.81 0.96 -1.18 2.25 3.38 -0.84 -1.11 115.31 119.59 1xl8 h LEU 71 Ca 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1xl8 h LEU 71 Cb 0.78 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1xl8 h LEU 71 CO 0.06 0.75 0.13 -0.33 0.09 0.00 0.00 178.44 179.14 1xl8 h GLU 72 N 1.09 0.70 -0.59 1.13 5.08 -1.23 -1.18 114.58 119.58 1xl8 h GLU 72 Ca 0.28 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1xl8 h GLU 72 Cb -0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1xl8 h GLU 72 CO -0.05 0.63 0.05 -0.09 -1.00 0.00 0.00 179.01 178.55 1xl8 h ARG 73 N 0.68 1.01 0.00 2.33 2.43 -0.69 -2.39 114.38 117.76 1xl8 h ARG 73 Ca 0.16 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1xl8 h ARG 73 Cb 0.24 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1xl8 h ARG 73 CO -0.01 0.98 -0.20 0.00 -1.51 0.00 0.00 179.97 179.23 1xl8 h ALA 74 N 1.00 1.17 -0.11 2.80 0.00 -0.51 -2.47 119.26 121.12 1xl8 h ALA 74 Ca 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xl8 h ALA 74 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xl8 h ALA 74 CO 0.02 0.25 -0.12 -0.09 0.00 0.00 0.00 179.25 179.31 1xl8 h ARG 75 N 0.00 0.17 -0.02 0.00 2.43 -0.70 -2.97 114.38 113.30 1xl8 h ARG 75 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xl8 h ARG 75 Cb 0.56 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1xl8 h ARG 75 CO 0.03 0.30 -0.05 0.41 -1.51 0.00 0.00 179.97 179.15 1xl8 n GLY 76 N -0.98 0.44 2.92 2.80 0.00 -0.96 -4.94 105.19 104.47 1xl8 n GLY 76 Ca -0.01 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 1xl8 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl8 s LYS 77 N -1.68 1.12 0.59 1.61 1.02 -1.03 -4.99 119.74 116.39 1xl8 s LYS 77 Ca 0.22 -0.19 0.39 0.00 0.02 0.00 0.00 55.97 56.41 1xl8 s LYS 77 Cb 0.16 -1.09 1.98 0.00 -0.52 0.00 0.00 37.83 38.36 1xl8 s LYS 77 CO 0.27 -0.09 2.18 0.00 -0.92 0.00 0.00 175.35 176.79 1xl8 h ARG 78 N 7.33 0.00 -2.08 1.68 3.08 -1.92 -3.34 114.38 119.13 1xl8 h ARG 78 Ca -0.33 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.43 1xl8 h ARG 78 Cb 1.16 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.88 1xl8 h ARG 78 CO 0.45 0.00 -0.61 1.21 -1.07 0.00 0.00 179.97 179.95 1xl8 s ASN 79 N -5.19 1.32 0.53 7.04 3.84 -1.26 -1.17 114.94 120.05 1xl8 s ASN 79 Ca -0.03 -0.57 0.32 0.00 0.21 0.00 0.00 52.86 52.80 1xl8 s ASN 79 Cb 0.11 0.65 1.34 0.00 -0.55 0.00 0.00 41.25 42.80 1xl8 s ASN 79 CO 0.43 -0.37 1.98 4.11 -2.79 0.00 0.00 177.10 180.46 1xl8 h TRP 80 N 8.24 0.00 0.09 0.43 5.08 -1.85 -3.28 115.95 124.66 1xl8 h TRP 80 Ca -0.13 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.51 1xl8 h TRP 80 Cb 1.10 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.23 1xl8 h TRP 80 CO 0.25 0.05 -1.82 1.25 -1.28 0.00 0.00 178.44 176.89 1xl8 h LEU 81 N 0.00 0.29 0.00 0.11 5.85 -1.95 -3.44 115.31 116.18 1xl8 h LEU 81 Ca -0.00 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1xl8 h LEU 81 Cb 0.52 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1xl8 h LEU 81 CO 0.01 1.53 0.00 -0.62 -0.34 0.00 0.00 178.44 179.01 1xl8 n GLU 82 N -3.35 0.00 -0.04 1.25 1.02 -1.24 -0.49 120.64 117.80 1xl8 n GLU 82 Ca -0.24 0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 1xl8 n GLU 82 Cb 1.05 -0.33 -0.05 0.00 -0.02 0.00 0.00 31.44 32.09 1xl8 n GLU 82 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1xl8 h GLU 83 N 0.00 0.24 -0.41 3.49 4.81 -1.84 -2.27 114.58 118.60 1xl8 h GLU 83 Ca 0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1xl8 h GLU 83 Cb 0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1xl8 h GLU 83 CO 0.00 0.35 0.10 -1.49 -0.73 0.00 0.00 179.01 177.24 1xl8 h TRP 84 N 0.08 0.17 -0.39 0.92 6.55 -1.62 -1.51 115.95 120.15 1xl8 h TRP 84 Ca 0.05 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.93 1xl8 h TRP 84 Cb 0.21 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.47 1xl8 h TRP 84 CO -0.00 0.04 0.24 2.35 -1.05 0.00 0.00 178.44 180.01 1xl8 h TRP 85 N 0.24 0.45 -0.42 0.49 2.91 -0.71 0.14 115.95 119.05 1xl8 h TRP 85 Ca 0.20 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.25 1xl8 h TRP 85 Cb 0.22 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.70 1xl8 h TRP 85 CO -0.19 0.27 0.25 1.25 -1.03 0.00 0.00 178.44 178.99 1xl8 h LEU 86 N 0.49 0.40 0.18 0.65 5.85 -1.04 0.26 115.31 122.11 1xl8 h LEU 86 Ca 0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1xl8 h LEU 86 Cb -0.02 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1xl8 h LEU 86 CO -0.06 0.29 -0.09 0.78 -0.34 0.00 0.00 178.44 179.02 1xl8 h ASN 87 N 0.50 -0.21 0.86 1.25 -0.26 -0.98 0.00 115.58 116.75 1xl8 h ASN 87 Ca 0.16 -0.31 -0.15 0.00 -0.56 0.00 0.00 56.30 55.44 1xl8 h ASN 87 Cb 0.01 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1xl8 h ASN 87 CO -0.08 0.25 -0.73 0.58 -1.06 0.00 0.00 177.43 176.40 1xl8 h VAL 88 N -0.73 1.44 0.00 2.81 2.07 -0.77 0.44 116.25 121.51 1xl8 h VAL 88 Ca -0.02 -2.57 -0.12 0.00 0.82 0.00 0.00 66.70 64.81 1xl8 h VAL 88 Cb 0.50 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1xl8 h VAL 88 CO 0.04 0.71 -1.28 0.00 0.02 0.00 0.00 177.57 177.06 1xl8 h ALA 89 N 1.27 0.61 0.00 1.67 0.00 -1.07 -3.43 119.26 118.31 1xl8 h ALA 89 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1xl8 h ALA 89 Cb 1.36 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1xl8 h ALA 89 CO 0.09 0.66 0.00 0.66 0.00 0.00 0.00 179.25 180.67 1xl8 n TYR 90 N -2.84 -1.03 0.02 0.00 4.01 -0.90 -4.84 117.16 111.58 1xl8 n TYR 90 Ca -0.07 0.18 0.09 0.00 -0.16 0.00 0.00 57.90 57.95 1xl8 n TYR 90 Cb 0.76 0.38 0.52 0.00 -0.31 0.00 0.00 39.34 40.68 1xl8 n TYR 90 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1xl8 h LEU 91 N 0.00 0.30 0.00 7.72 3.38 -0.95 -2.78 115.31 122.99 1xl8 h LEU 91 Ca 0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1xl8 h LEU 91 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1xl8 h LEU 91 CO 0.00 0.20 -0.92 0.44 0.09 0.00 0.00 178.44 178.25 1xl8 h ASP 92 N 0.35 0.00 -3.12 -0.43 3.32 -0.34 -0.33 116.42 115.86 1xl8 h ASP 92 Ca 0.18 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.69 1xl8 h ASP 92 Cb 0.27 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.91 1xl8 h ASP 92 CO -0.04 0.64 0.86 0.52 -1.72 0.00 0.00 179.24 179.50 1xl8 n VAL 93 N -3.14 0.88 -0.01 -1.35 0.31 -1.05 -4.80 118.33 109.17 1xl8 n VAL 93 Ca -0.03 -0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.12 1xl8 n VAL 93 Cb 0.82 -1.90 -0.13 0.00 -0.91 0.00 0.00 33.84 31.72 1xl8 n VAL 93 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xl8 n ARG 94 N 2.36 0.65 -0.67 5.55 5.12 -1.26 -4.83 116.66 123.59 1xl8 n ARG 94 Ca 0.10 -0.05 -0.31 0.00 -1.93 0.00 0.00 57.85 55.66 1xl8 n ARG 94 Cb 0.36 -1.60 0.17 0.00 -1.16 0.00 0.00 32.46 30.23 1xl8 n ARG 94 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1xl8 n ILE 95 N -2.53 0.00 -1.61 0.55 -5.35 -1.26 -0.87 119.36 108.30 1xl8 n ILE 95 Ca -0.11 -0.06 -0.44 0.00 -0.27 0.00 0.00 62.75 61.87 1xl8 n ILE 95 Cb 0.75 -0.95 -0.04 0.00 -1.74 0.00 0.00 39.64 37.67 1xl8 n ILE 95 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1xl8 n PRO 96 N -4.00 2.13 0.03 6.28 -0.02 -1.26 -4.22 135.00 133.94 1xl8 n PRO 96 Ca 0.11 0.67 -0.19 0.00 -2.02 0.00 0.00 63.50 62.06 1xl8 n PRO 96 Cb 0.52 -3.06 -0.11 0.00 -0.02 0.00 0.00 33.50 30.83 1xl8 n PRO 96 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xl8 h SER 97 N 13.23 0.77 -0.82 2.55 4.64 -1.87 -2.69 113.55 129.36 1xl8 h SER 97 Ca -0.43 -0.76 0.16 0.00 -0.47 0.00 0.00 61.79 60.29 1xl8 h SER 97 Cb 1.25 -0.24 -0.15 0.00 -0.31 0.00 0.00 62.40 62.95 1xl8 h SER 97 CO 0.96 1.43 -0.23 -0.61 -0.87 0.00 0.00 176.83 177.51 1xl8 h GLN 98 N 0.19 -0.02 0.19 4.77 4.15 -1.86 0.46 115.11 122.99 1xl8 h GLN 98 Ca -0.12 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.95 1xl8 h GLN 98 Cb 1.58 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.29 1xl8 h GLN 98 CO 0.18 -0.01 -1.74 1.25 -1.93 0.00 0.00 178.83 176.58 1xl8 h LEU 99 N -0.02 0.64 0.00 -2.39 5.85 -1.86 -3.30 115.31 114.23 1xl8 h LEU 99 Ca 0.38 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1xl8 h LEU 99 Cb 0.60 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1xl8 h LEU 99 CO -0.85 1.79 -0.71 0.59 -0.34 0.00 0.00 178.44 178.92 1xl8 n ASN 100 N -3.61 0.63 0.00 1.25 3.02 -0.98 -4.61 115.26 110.96 1xl8 n ASN 100 Ca -0.24 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1xl8 n ASN 100 Cb 1.08 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.62 1xl8 n ASN 100 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xl8 n VAL 101 N -1.91 0.00 -1.65 2.41 0.31 0.15 -4.64 118.33 113.00 1xl8 n VAL 101 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.98 1xl8 n VAL 101 Cb 0.41 -0.42 0.05 0.00 -0.91 0.00 0.00 33.84 32.97 1xl8 n VAL 101 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1xl8 n ASN 102 N -1.95 1.39 -4.61 4.52 5.03 -0.51 -4.41 115.26 114.72 1xl8 n ASN 102 Ca 0.00 0.88 -0.30 0.00 0.87 0.00 0.00 54.58 56.03 1xl8 n ASN 102 Cb 0.33 -1.44 -0.09 0.00 -1.02 0.00 0.00 39.78 37.55 1xl8 n ASN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1xl8 s PHE 103 N -1.42 2.81 0.20 3.10 -0.12 -0.76 -4.77 117.98 117.02 1xl8 s PHE 103 Ca 0.74 -0.12 0.08 0.00 -0.05 0.00 0.00 56.93 57.58 1xl8 s PHE 103 Cb -0.43 -1.46 -0.05 0.00 -0.63 0.00 0.00 43.02 40.46 1xl8 s PHE 103 CO 0.48 0.44 -0.16 0.14 -0.05 0.00 0.00 175.22 176.08 1xl8 s VAL 104 N -1.26 1.80 -0.23 -2.49 -7.23 -0.87 -1.03 120.40 109.09 1xl8 s VAL 104 Ca 0.23 -2.14 -0.12 0.00 -1.81 0.00 0.00 61.98 58.14 1xl8 s VAL 104 Cb -0.11 -2.00 0.08 0.00 0.56 0.00 0.00 36.38 34.91 1xl8 s VAL 104 CO 0.15 -0.51 0.55 -0.83 -0.31 0.00 0.00 175.10 174.15 1xl8 s GLY 105 N -3.15 -0.50 0.33 2.32 0.00 -0.60 -1.27 107.32 104.45 1xl8 s GLY 105 Ca 0.21 1.99 -0.26 0.00 0.00 0.00 0.00 44.72 46.66 1xl8 s GLY 105 CO 0.07 2.16 1.00 -4.14 0.00 0.00 0.00 173.10 172.19 1xl8 s PRO 106 N 1.71 4.50 -0.26 2.90 0.02 -1.22 -0.44 135.00 142.21 1xl8 s PRO 106 Ca -0.09 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.11 1xl8 s PRO 106 Cb -0.07 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.63 1xl8 s PRO 106 CO -0.16 0.18 1.06 0.00 -0.33 0.00 0.00 177.00 177.74 1xl8 n PRO 108 N 6.52 0.46 0.13 0.00 -0.04 -1.26 -4.19 135.00 136.63 1xl8 n PRO 108 Ca 0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1xl8 n PRO 108 Cb 0.46 -1.21 0.50 0.00 -0.04 0.00 0.00 33.50 33.21 1xl8 n PRO 108 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xl8 n HIS 109 N 0.19 0.70 1.62 0.54 8.25 -1.26 -2.25 115.22 123.01 1xl8 n HIS 109 Ca 0.00 0.31 0.09 0.00 -0.26 0.00 0.00 57.72 57.86 1xl8 n HIS 109 Cb 0.10 -1.00 0.41 0.00 1.12 0.00 0.00 29.99 30.62 1xl8 n HIS 109 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1xl8 n PHE 110 N -2.17 0.12 0.30 4.41 1.16 -1.23 -1.52 117.46 118.52 1xl8 n PHE 110 Ca 0.01 -0.06 0.12 0.00 -1.87 0.00 0.00 57.45 55.65 1xl8 n PHE 110 Cb 0.14 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.15 1xl8 n PHE 110 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1xl8 h GLU 111 N 1.01 0.00 0.00 3.97 5.08 -1.74 -3.39 114.58 119.51 1xl8 h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xl8 h GLU 111 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xl8 h GLU 111 CO 0.00 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 175.62 1xl8 n HIS 112 N -2.65 0.00 0.29 4.33 1.44 -1.20 -5.00 115.22 112.42 1xl8 n HIS 112 Ca 0.03 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.91 1xl8 n HIS 112 Cb 0.51 0.00 0.78 0.00 0.12 0.00 0.00 29.99 31.39 1xl8 n HIS 112 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 1xl8 h TYR 113 N 0.00 0.00 -2.28 -1.40 0.05 -1.91 -3.35 116.97 108.08 1xl8 h TYR 113 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 1xl8 h TYR 113 Cb 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.33 1xl8 h TYR 113 CO 0.00 0.01 -0.50 0.91 -1.05 0.00 0.00 178.16 177.54 1xl8 n TRP 114 N -3.12 3.93 -0.85 4.88 8.01 -0.58 -4.91 117.44 124.80 1xl8 n TRP 114 Ca -0.00 -3.89 -0.31 0.00 -1.31 0.00 0.00 57.50 51.99 1xl8 n TRP 114 Cb 0.27 -0.56 0.15 0.00 -2.01 0.00 0.00 31.31 29.17 1xl8 n TRP 114 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1xl8 s PRO 115 N -3.47 1.16 0.22 -0.99 0.04 -1.26 -3.51 135.00 127.20 1xl8 s PRO 115 Ca 0.47 1.35 -0.32 0.00 0.04 0.00 0.00 61.00 62.55 1xl8 s PRO 115 Cb 0.26 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.92 1xl8 s PRO 115 CO -0.13 -2.47 1.58 0.00 0.04 0.00 0.00 177.00 176.02 1xl8 n ALA 116 N -4.10 1.95 -3.29 8.56 0.00 -1.26 -4.94 120.51 117.43 1xl8 n ALA 116 Ca 0.10 0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.98 1xl8 n ALA 116 Cb 0.53 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 1xl8 n ALA 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xl8 s ARG 117 N 0.29 0.29 0.51 0.00 3.52 -0.08 -5.05 118.95 118.43 1xl8 s ARG 117 Ca 0.72 0.64 -0.20 0.00 -0.13 0.00 0.00 55.73 56.75 1xl8 s ARG 117 Cb -0.58 0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 33.09 1xl8 s ARG 117 CO 0.42 -0.19 0.71 0.39 -0.81 0.00 0.00 175.30 175.82 1xl8 n GLU 118 N 5.19 0.78 -0.85 5.12 -0.58 -1.26 -2.99 120.64 126.05 1xl8 n GLU 118 Ca -0.07 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1xl8 n GLU 118 Cb 0.53 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1xl8 n GLU 118 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xl8 n GLY 119 N 1.57 1.13 0.89 0.62 0.00 -1.24 -4.87 105.19 103.29 1xl8 n GLY 119 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1xl8 n GLY 119 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl8 n THR 120 N -2.00 0.00 -0.08 2.61 -2.24 -1.16 -4.62 114.28 106.79 1xl8 n THR 120 Ca 0.00 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1xl8 n THR 120 Cb 0.00 1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1xl8 n THR 120 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1xl8 h GLN 121 N 4.38 -0.27 -0.07 -0.78 4.15 -1.82 -0.83 115.11 119.87 1xl8 h GLN 121 Ca 0.00 0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.26 1xl8 h GLN 121 Cb 0.94 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1xl8 h GLN 121 CO 0.00 -0.18 -0.74 -0.07 -1.93 0.00 0.00 178.83 175.91 1xl8 h LEU 122 N -0.28 0.43 0.42 -2.39 4.07 -1.92 -1.30 115.31 114.34 1xl8 h LEU 122 Ca 0.15 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 1xl8 h LEU 122 Cb 0.52 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1xl8 h LEU 122 CO -0.47 1.02 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.38 1xl8 h GLU 123 N 0.24 -0.54 -0.86 1.13 4.39 -1.79 -1.77 114.58 115.38 1xl8 h GLU 123 Ca -0.03 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1xl8 h GLU 123 Cb 1.31 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 30.02 1xl8 h GLU 123 CO 0.12 -0.36 0.52 0.00 -1.16 0.00 0.00 179.01 178.13 1xl8 h ARG 124 N -0.69 0.89 -1.00 2.33 3.08 -1.28 -1.85 114.38 115.85 1xl8 h ARG 124 Ca -0.06 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.05 1xl8 h ARG 124 Cb 0.43 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 1xl8 h ARG 124 CO 0.09 0.59 0.63 0.78 -1.07 0.00 0.00 179.97 180.99 1xl8 h GLY 125 N 0.92 1.60 -6.91 0.04 0.00 -1.22 -3.42 103.07 94.08 1xl8 h GLY 125 Ca 0.39 -0.42 -0.58 0.00 0.00 0.00 0.00 47.33 46.72 1xl8 h GLY 125 CO -0.20 0.18 1.49 -1.14 0.00 0.00 0.00 176.54 176.86 1xl8 n SER 126 N -4.60 1.33 0.00 0.19 3.41 -0.67 -4.63 113.62 108.64 1xl8 n SER 126 Ca 0.18 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1xl8 n SER 126 Cb 0.34 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1xl8 n SER 126 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xl8 n LEU 129 N 9.20 0.00 -0.12 1.04 4.77 -1.26 -4.65 117.00 125.98 1xl8 n LEU 129 Ca 0.47 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1xl8 n LEU 129 Cb 0.42 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1xl8 n LEU 129 CO 1.14 0.00 0.93 -0.25 -1.33 0.00 0.00 177.39 177.88 1xl8 h TRP 130 N 0.00 0.21 -0.14 -1.77 2.91 -1.91 0.14 115.95 115.37 1xl8 h TRP 130 Ca 0.00 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 1xl8 h TRP 130 Cb 0.00 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1xl8 h TRP 130 CO 0.00 0.07 -0.18 0.45 -1.03 0.00 0.00 178.44 177.74 1xl8 h HIS 131 N 0.27 0.46 -0.61 2.65 3.86 -1.97 -1.81 115.15 118.00 1xl8 h HIS 131 Ca 0.19 -0.15 0.08 0.00 -1.16 0.00 0.00 60.37 59.33 1xl8 h HIS 131 Cb 0.19 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.50 1xl8 h HIS 131 CO -0.17 0.79 0.27 -0.91 0.86 0.00 0.00 177.93 178.77 1xl8 h ASN 132 N -0.00 0.32 0.40 2.45 2.35 -1.91 -0.92 115.58 118.27 1xl8 h ASN 132 Ca 0.02 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1xl8 h ASN 132 Cb 0.73 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1xl8 h ASN 132 CO 0.04 0.20 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.60 1xl8 h LEU 133 N 0.48 0.00 -0.84 1.61 3.38 -0.68 -1.96 115.31 117.31 1xl8 h LEU 133 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 1xl8 h LEU 133 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xl8 h LEU 133 CO -0.26 0.36 -0.42 0.78 0.09 0.00 0.00 178.44 178.99 1xl8 h ASN 134 N 0.00 0.37 -0.47 -0.43 2.35 -0.31 -1.62 115.58 115.48 1xl8 h ASN 134 Ca -0.00 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1xl8 h ASN 134 Cb 0.65 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1xl8 h ASN 134 CO 0.05 0.75 0.03 0.22 -1.65 0.00 0.00 177.43 176.83 1xl8 h TYR 135 N 0.29 0.87 -0.42 1.19 5.03 -0.58 -0.24 116.97 123.11 1xl8 h TYR 135 Ca 0.03 -0.14 0.02 0.00 2.58 0.00 0.00 58.73 61.22 1xl8 h TYR 135 Cb 0.86 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.88 1xl8 h TYR 135 CO 0.02 0.82 0.24 2.35 -1.32 0.00 0.00 178.16 180.27 1xl8 h TRP 136 N 0.66 0.44 -0.75 -3.82 7.01 -1.13 0.02 115.95 118.39 1xl8 h TRP 136 Ca 0.14 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1xl8 h TRP 136 Cb 0.45 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.34 1xl8 h TRP 136 CO 0.03 0.25 0.41 0.37 -2.79 0.00 0.00 178.44 176.71 1xl8 h GLN 137 N 0.48 1.04 -0.85 2.65 4.15 -1.03 0.24 115.11 121.79 1xl8 h GLN 137 Ca 0.17 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xl8 h GLN 137 Cb 0.04 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.48 1xl8 h GLN 137 CO -0.10 0.76 0.56 1.25 -1.93 0.00 0.00 178.83 179.38 1xl8 h LEU 138 N 1.04 0.98 -0.10 -2.39 5.85 0.19 -1.34 115.31 119.54 1xl8 h LEU 138 Ca 0.26 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1xl8 h LEU 138 Cb 0.03 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1xl8 h LEU 138 CO -0.04 0.71 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.51 1xl8 h LEU 139 N 1.15 0.33 -1.79 2.25 3.38 0.25 0.21 115.31 121.09 1xl8 h LEU 139 Ca 0.31 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1xl8 h LEU 139 Cb -0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1xl8 h LEU 139 CO -0.07 0.83 0.16 -0.09 0.09 0.00 0.00 178.44 179.36 1xl8 h ARG 140 N -0.15 0.27 -0.22 1.13 2.43 -0.38 0.13 114.38 117.60 1xl8 h ARG 140 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xl8 h ARG 140 Cb 0.77 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1xl8 h ARG 140 CO 0.04 0.18 0.00 0.54 -1.51 0.00 0.00 179.97 179.22 1xl8 n ARG 141 N -4.50 1.87 -3.92 0.20 1.74 -0.52 -0.84 116.66 110.68 1xl8 n ARG 141 Ca 0.01 -1.30 -0.31 0.00 -0.77 0.00 0.00 57.85 55.48 1xl8 n ARG 141 Cb 0.11 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 30.16 1xl8 n ARG 141 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xl8 n GLU 142 N 0.53 -5.31 0.00 5.56 1.02 0.47 -4.85 120.64 118.06 1xl8 n GLU 142 Ca 0.16 0.58 0.11 0.00 -0.02 0.00 0.00 57.16 58.00 1xl8 n GLU 142 Cb 0.37 -5.46 0.04 0.00 -0.02 0.00 0.00 31.44 26.37 1xl8 n GLU 142 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xl8 n LYS 143 N -4.64 0.60 -2.13 3.49 4.76 0.70 -2.27 118.16 118.67 1xl8 n LYS 143 Ca 0.05 -0.46 -0.42 0.00 -2.87 0.00 0.00 58.31 54.60 1xl8 n LYS 143 Cb 0.52 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 1xl8 n LYS 143 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xl8 s LEU 144 N -2.72 4.36 0.27 -0.35 2.96 -1.16 -4.93 118.68 117.10 1xl8 s LEU 144 Ca 0.15 2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 56.07 1xl8 s LEU 144 Cb 0.17 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 43.16 1xl8 s LEU 144 CO 0.68 -0.71 1.37 -2.65 -1.32 0.00 0.00 176.35 173.72 1xl8 n PRO 145 N 4.52 2.05 -2.31 0.98 -0.02 -1.26 -4.00 135.00 134.97 1xl8 n PRO 145 Ca 0.13 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1xl8 n PRO 145 Cb 0.42 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1xl8 n PRO 145 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xl8 s VAL 146 N -0.35 3.73 0.16 -1.45 1.01 -1.26 -4.98 120.40 117.26 1xl8 s VAL 146 Ca 0.64 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.56 1xl8 s VAL 146 Cb -0.63 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 1xl8 s VAL 146 CO 0.53 0.09 1.23 -1.00 0.00 0.00 0.00 175.10 175.95 1xl8 s HIS 147 N 1.13 3.39 0.02 5.22 3.76 -1.26 -4.94 115.29 122.62 1xl8 s HIS 147 Ca 0.61 1.34 0.01 0.00 -0.15 0.00 0.00 55.06 56.88 1xl8 s HIS 147 Cb -0.32 -3.47 -0.01 0.00 1.11 0.00 0.00 32.58 29.88 1xl8 s HIS 147 CO 0.29 -1.39 -0.05 0.15 -0.85 0.00 0.00 174.74 172.89 1xl8 s LYS 148 N 0.10 0.38 -0.41 1.40 1.02 -1.26 0.06 119.74 121.02 1xl8 s LYS 148 Ca 0.55 -0.46 -0.09 0.00 0.02 0.00 0.00 55.97 55.99 1xl8 s LYS 148 Cb -0.33 -0.20 0.07 0.00 -0.52 0.00 0.00 37.83 36.86 1xl8 s LYS 148 CO 0.35 0.04 0.24 0.45 -0.92 0.00 0.00 175.35 175.51 1xl8 s SER 149 N -0.93 5.58 1.69 2.83 0.15 0.17 -4.90 113.70 118.30 1xl8 s SER 149 Ca -0.07 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1xl8 s SER 149 Cb -0.06 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1xl8 s SER 149 CO -0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1xl8 n GLY 150 N 4.89 2.85 0.62 9.45 0.00 -1.26 -0.04 105.19 121.70 1xl8 n GLY 150 Ca -0.10 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.03 1xl8 n GLY 150 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xl8 n ASN 151 N 9.91 2.89 -4.59 1.61 3.02 -1.26 -4.95 115.26 121.89 1xl8 n ASN 151 Ca 0.00 -1.99 -0.40 0.00 -0.03 0.00 0.00 54.58 52.16 1xl8 n ASN 151 Cb 0.00 -0.22 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 1xl8 n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xl8 s THR 152 N -1.00 5.07 0.44 3.41 2.01 0.94 -5.06 115.64 121.46 1xl8 s THR 152 Ca 0.22 0.63 -0.23 0.00 0.31 0.00 0.00 61.69 62.62 1xl8 s THR 152 Cb 0.12 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 1xl8 s THR 152 CO 0.15 -0.01 1.15 -2.16 -0.69 0.00 0.00 174.62 173.07 1xl8 s PRO 153 N 2.29 3.86 0.16 4.92 0.04 -1.26 0.45 135.00 145.46 1xl8 s PRO 153 Ca 0.19 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.04 1xl8 s PRO 153 Cb -0.16 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1xl8 s PRO 153 CO 0.11 -0.46 0.04 -0.51 0.04 0.00 0.00 177.00 176.21 1xl8 s LEU 154 N -2.90 3.46 0.00 -3.56 1.43 0.11 -4.82 118.68 112.41 1xl8 s LEU 154 Ca 0.62 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.21 1xl8 s LEU 154 Cb -0.28 -2.11 0.32 0.00 0.03 0.00 0.00 46.19 44.15 1xl8 s LEU 154 CO 0.34 0.09 0.71 -0.67 0.23 0.00 0.00 176.35 177.06 1xl8 n ASP 155 N -0.11 -3.81 0.00 2.29 2.03 0.58 -4.60 116.55 112.93 1xl8 n ASP 155 Ca -0.09 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1xl8 n ASP 155 Cb 0.55 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1xl8 n ASP 155 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1xl8 n ASN 157 N -4.50 0.00 0.31 1.67 2.85 -1.26 -4.93 115.26 109.39 1xl8 n ASN 157 Ca 0.11 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.78 1xl8 n ASN 157 Cb 0.50 0.00 0.95 0.00 1.24 0.00 0.00 39.78 42.47 1xl8 n ASN 157 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1xl8 h GLN 158 N 0.00 0.00 0.00 1.20 4.20 -1.96 -1.96 115.11 116.59 1xl8 h GLN 158 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xl8 h GLN 158 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xl8 h GLN 158 CO 0.00 0.01 0.00 0.74 -0.67 0.00 0.00 178.83 178.91 1xl8 h PHE 159 N 0.00 0.00 0.00 2.96 0.04 -1.97 -3.30 116.94 114.67 1xl8 h PHE 159 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xl8 h PHE 159 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1xl8 h PHE 159 CO 0.00 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.25 1xl8 n ARG 160 N -2.69 0.69 0.00 1.51 1.74 -0.74 -4.54 116.66 112.64 1xl8 n ARG 160 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1xl8 n ARG 160 Cb 0.28 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1xl8 n ARG 160 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1xl8 n LEU 162 N 1.58 0.00 -4.58 0.55 7.94 -1.25 -4.58 117.00 116.67 1xl8 n LEU 162 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 1xl8 n LEU 162 Cb 0.35 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.20 1xl8 n LEU 162 CO 0.00 0.00 -0.41 -0.36 -1.11 0.00 0.00 177.39 175.51 1xl8 s PHE 163 N 0.00 2.67 -1.55 1.96 0.08 -1.26 -4.26 117.98 115.62 1xl8 s PHE 163 Ca 0.00 -0.20 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 1xl8 s PHE 163 Cb 0.00 -1.33 0.09 0.00 -0.57 0.00 0.00 43.02 41.21 1xl8 s PHE 163 CO 0.00 0.48 0.85 0.43 -0.10 0.00 0.00 175.22 176.88 1xl8 n SER 164 N 0.23 -3.62 -3.98 1.36 7.64 -0.05 -4.09 113.62 111.11 1xl8 n SER 164 Ca -0.12 -0.87 -0.20 0.00 1.01 0.00 0.00 58.87 58.69 1xl8 n SER 164 Cb 0.54 -3.49 -0.16 0.00 -1.01 0.00 0.00 64.21 60.10 1xl8 n SER 164 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xl8 s THR 165 N -3.39 0.70 -0.03 0.44 2.01 -1.26 -0.36 115.64 113.74 1xl8 s THR 165 Ca 0.57 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1xl8 s THR 165 Cb -0.29 -0.64 0.04 0.00 0.01 0.00 0.00 72.50 71.62 1xl8 s THR 165 CO 0.86 0.23 0.45 0.00 -0.69 0.00 0.00 174.62 175.47 1xl8 s LYS 167 N -1.21 3.72 -0.09 0.00 2.20 0.19 -4.61 119.74 119.95 1xl8 s LYS 167 Ca -0.12 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1xl8 s LYS 167 Cb -0.03 -2.52 0.02 0.00 -1.51 0.00 0.00 37.83 33.79 1xl8 s LYS 167 CO 0.06 0.10 -0.08 0.08 -0.36 0.00 0.00 175.35 175.15 1xl8 s VAL 168 N -2.20 0.96 0.69 4.02 1.01 0.13 -4.82 120.40 120.19 1xl8 s VAL 168 Ca 0.48 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1xl8 s VAL 168 Cb -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1xl8 s VAL 168 CO 0.30 0.34 1.15 -2.16 0.00 0.00 0.00 175.10 174.73 1xl8 s PRO 169 N 1.38 2.52 0.13 2.72 0.04 -1.26 -0.87 135.00 139.66 1xl8 s PRO 169 Ca -0.02 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1xl8 s PRO 169 Cb -0.14 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1xl8 s PRO 169 CO -0.04 -1.49 -0.05 0.20 0.04 0.00 0.00 177.00 175.65 1xl8 s GLY 170 N -2.37 0.96 0.26 0.56 0.00 -1.25 -4.77 107.32 100.71 1xl8 s GLY 170 Ca 0.70 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 1xl8 s GLY 170 CO 0.43 -1.51 1.83 -2.22 0.00 0.00 0.00 173.10 171.63 1xl8 h ILE 171 N 2.85 1.24 0.00 0.90 1.08 -1.89 -3.37 117.51 118.32 1xl8 h ILE 171 Ca -0.36 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1xl8 h ILE 171 Cb 1.18 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1xl8 h ILE 171 CO 0.64 0.30 -0.73 0.35 -0.69 0.00 0.00 178.15 178.02 1xl8 n THR 172 N -4.30 0.00 -3.70 -0.27 -2.24 -1.26 -4.59 114.28 97.93 1xl8 n THR 172 Ca 0.06 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1xl8 n THR 172 Cb 0.18 -0.46 -0.17 0.00 -2.10 0.00 0.00 70.33 67.78 1xl8 n THR 172 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xl8 s ARG 173 N -1.66 -0.02 0.93 -0.78 3.52 -1.26 -4.60 118.95 115.08 1xl8 s ARG 173 Ca 0.00 0.39 -0.13 0.00 -0.13 0.00 0.00 55.73 55.85 1xl8 s ARG 173 Cb 0.00 -0.35 0.15 0.00 -1.56 0.00 0.00 34.95 33.19 1xl8 s ARG 173 CO 0.00 -0.27 1.15 -0.51 -0.81 0.00 0.00 175.30 174.86 1xl8 s ASP 174 N 1.85 3.32 0.07 -2.12 1.11 -0.13 -3.80 116.67 116.96 1xl8 s ASP 174 Ca -0.00 0.87 0.00 0.00 0.18 0.00 0.00 52.55 53.60 1xl8 s ASP 174 Cb -0.12 -1.37 -0.04 0.00 1.07 0.00 0.00 42.92 42.46 1xl8 s ASP 174 CO -0.04 -2.66 -0.05 -0.94 1.18 0.00 0.00 175.17 172.66 1xl8 s SER 175 N -4.11 0.74 0.00 0.27 1.04 -0.05 -4.85 113.70 106.74 1xl8 s SER 175 Ca 0.65 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1xl8 s SER 175 Cb -0.13 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1xl8 s SER 175 CO 0.53 -0.51 0.00 -0.38 0.98 0.00 0.00 173.24 173.86 1xl8 n ILE 176 N 0.22 0.00 0.00 -1.02 2.08 -1.26 -0.69 119.36 118.69 1xl8 n ILE 176 Ca -0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1xl8 n ILE 176 Cb 0.60 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 1xl8 n ILE 176 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1xl8 n ASN 178 N -1.18 0.00 -0.15 4.38 5.15 -1.26 -5.00 115.26 117.20 1xl8 n ASN 178 Ca 0.00 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 1xl8 n ASN 178 Cb 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.32 1xl8 n ASN 178 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1xl8 n TYR 179 N 0.00 0.00 -1.68 1.20 4.01 0.51 -4.98 117.16 116.22 1xl8 n TYR 179 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1xl8 n TYR 179 Cb 0.00 -0.08 0.06 0.00 -0.31 0.00 0.00 39.34 39.02 1xl8 n TYR 179 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xl8 n PHE 180 N -1.03 1.50 -3.65 -0.72 7.35 -1.22 -4.63 117.46 115.06 1xl8 n PHE 180 Ca 0.07 0.42 -0.15 0.00 -0.76 0.00 0.00 57.45 57.03 1xl8 n PHE 180 Cb 0.37 -2.22 -0.08 0.00 0.35 0.00 0.00 39.48 37.90 1xl8 n PHE 180 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1xl8 s LYS 181 N -3.15 0.78 0.61 -4.13 1.02 -1.26 -5.05 119.74 108.55 1xl8 s LYS 181 Ca 0.81 0.49 -0.07 0.00 0.02 0.00 0.00 55.97 57.22 1xl8 s LYS 181 Cb -0.39 0.37 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1xl8 s LYS 181 CO 0.42 -0.17 0.93 0.95 -0.92 0.00 0.00 175.35 176.57 1xl8 s THR 182 N -0.38 3.62 0.37 2.17 -4.23 -1.26 -4.71 115.64 111.21 1xl8 s THR 182 Ca -0.05 0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.64 1xl8 s THR 182 Cb -0.03 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.68 1xl8 s THR 182 CO 0.04 -0.49 1.90 -0.33 -0.54 0.00 0.00 174.62 175.20 1xl8 h GLU 183 N -0.26 0.63 -0.15 3.99 5.08 -1.20 -0.70 114.58 121.98 1xl8 h GLU 183 Ca -0.45 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 1xl8 h GLU 183 Cb 1.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1xl8 h GLU 183 CO 0.61 0.42 -0.28 0.77 -1.00 0.00 0.00 179.01 179.52 1xl8 h SER 184 N 0.65 0.27 1.00 1.42 0.02 -1.93 -3.14 113.55 111.84 1xl8 h SER 184 Ca 0.40 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 61.07 1xl8 h SER 184 Cb 0.63 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1xl8 h SER 184 CO -0.16 0.56 -1.05 -0.33 -1.14 0.00 0.00 176.83 174.71 1xl8 h GLU 185 N 0.24 0.00 0.00 3.45 5.08 -1.52 -3.50 114.58 118.33 1xl8 h GLU 185 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xl8 h GLU 185 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1xl8 h GLU 185 CO 0.05 0.68 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 1xl8 n GLY 186 N 1.36 0.84 3.75 -3.84 0.00 -0.73 -4.95 105.19 101.62 1xl8 n GLY 186 Ca -0.04 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1xl8 n GLY 186 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xl8 s HIS 187 N -2.64 2.41 -0.02 1.61 5.65 -1.26 -4.42 115.29 116.62 1xl8 s HIS 187 Ca 0.00 1.51 0.01 0.00 0.25 0.00 0.00 55.06 56.82 1xl8 s HIS 187 Cb 0.00 -3.50 0.02 0.00 -1.18 0.00 0.00 32.58 27.92 1xl8 s HIS 187 CO 0.00 -2.21 -0.01 0.00 -0.65 0.00 0.00 174.74 171.87 1xl8 n PRO 189 N 3.80 0.54 -0.07 0.00 -0.02 -1.26 -4.89 135.00 133.10 1xl8 n PRO 189 Ca -0.23 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 1xl8 n PRO 189 Cb 0.53 -1.35 0.14 0.00 -0.02 0.00 0.00 33.50 32.79 1xl8 n PRO 189 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xl8 n THR 190 N -0.03 1.85 -4.34 3.45 -2.24 -1.26 -4.71 114.28 107.00 1xl8 n THR 190 Ca 0.14 -2.21 -0.27 0.00 -2.27 0.00 0.00 64.05 59.44 1xl8 n THR 190 Cb 0.29 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.21 1xl8 n THR 190 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1xl8 s HIS 191 N -2.80 2.50 0.30 4.78 -3.43 -1.26 -1.53 115.29 113.85 1xl8 s HIS 191 Ca 0.31 -0.28 0.10 0.00 -0.80 0.00 0.00 55.06 54.39 1xl8 s HIS 191 Cb 0.27 -1.23 -0.05 0.00 -1.43 0.00 0.00 32.58 30.15 1xl8 s HIS 191 CO 0.03 0.51 -0.02 0.96 -2.00 0.00 0.00 174.74 174.22 1xl8 s ILE 192 N -1.69 2.98 -0.09 -5.38 -4.36 -0.96 -0.38 121.20 111.32 1xl8 s ILE 192 Ca 0.23 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.66 1xl8 s ILE 192 Cb -0.08 -2.75 -0.01 0.00 1.25 0.00 0.00 42.46 40.87 1xl8 s ILE 192 CO 0.13 -0.31 -0.21 0.00 0.24 0.00 0.00 174.94 174.79 1xl8 s ALA 193 N -2.43 2.30 -0.10 2.27 0.00 -0.96 -2.78 121.76 120.06 1xl8 s ALA 193 Ca 0.33 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xl8 s ALA 193 Cb -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1xl8 s ALA 193 CO 0.19 0.34 -0.16 0.08 0.00 0.00 0.00 175.76 176.22 1xl8 s VAL 194 N 0.10 2.86 -0.16 0.00 1.01 0.22 -0.50 120.40 123.93 1xl8 s VAL 194 Ca -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1xl8 s VAL 194 Cb -0.16 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1xl8 s VAL 194 CO 0.06 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 174.92 1xl8 s LEU 195 N 0.08 3.28 -0.17 3.92 1.43 -0.24 -0.18 118.68 126.80 1xl8 s LEU 195 Ca -0.07 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1xl8 s LEU 195 Cb -0.15 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.33 1xl8 s LEU 195 CO 0.05 0.16 0.44 0.00 0.23 0.00 0.00 176.35 177.23 1xl8 n ARG 197 N 3.48 -0.81 -1.02 0.00 5.12 -1.26 0.67 116.66 122.84 1xl8 n ARG 197 Ca -0.18 0.13 -0.01 0.00 -1.93 0.00 0.00 57.85 55.87 1xl8 n ARG 197 Cb 0.56 -3.18 -0.00 0.00 -1.16 0.00 0.00 32.46 28.68 1xl8 n ARG 197 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xl8 n GLY 198 N -2.25 0.17 3.47 -0.13 0.00 -1.26 0.15 105.19 105.34 1xl8 n GLY 198 Ca -0.21 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1xl8 n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl8 s ARG 199 N -1.56 1.66 -0.10 1.61 0.52 0.21 -1.22 118.95 120.07 1xl8 s ARG 199 Ca 0.00 -1.78 0.02 0.00 -0.52 0.00 0.00 55.73 53.45 1xl8 s ARG 199 Cb 0.00 -1.66 0.01 0.00 0.52 0.00 0.00 34.95 33.82 1xl8 s ARG 199 CO 0.00 0.27 -0.15 0.00 0.02 0.00 0.00 175.30 175.45 1xl8 s ALA 200 N -2.60 1.62 0.18 2.13 0.00 -1.26 -0.26 121.76 121.57 1xl8 s ALA 200 Ca 0.30 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.67 1xl8 s ALA 200 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1xl8 s ALA 200 CO 0.14 -0.05 -0.21 -0.06 0.00 0.00 0.00 175.76 175.58 1xl8 s PHE 201 N 0.95 2.03 -0.00 0.00 0.40 0.75 0.84 117.98 122.96 1xl8 s PHE 201 Ca -0.08 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.78 1xl8 s PHE 201 Cb -0.15 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.37 1xl8 s PHE 201 CO -0.01 0.41 0.11 0.14 0.70 0.00 0.00 175.22 176.58 1xl8 s VAL 202 N -1.90 0.07 0.06 -0.44 -7.23 -0.23 0.71 120.40 111.44 1xl8 s VAL 202 Ca 0.18 -0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 59.56 1xl8 s VAL 202 Cb -0.07 -0.37 0.03 0.00 0.56 0.00 0.00 36.38 36.54 1xl8 s VAL 202 CO 0.08 -0.34 0.40 0.72 -0.31 0.00 0.00 175.10 175.66 1xl8 s PHE 203 N -1.17 -0.24 -0.04 2.82 -0.71 -1.12 -1.35 117.98 116.17 1xl8 s PHE 203 Ca -0.13 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 55.62 1xl8 s PHE 203 Cb -0.07 0.21 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 1xl8 s PHE 203 CO 0.01 -0.59 1.00 0.34 -1.34 0.00 0.00 175.22 174.64 1xl8 s ASP 204 N -2.13 7.31 0.00 1.98 -1.08 -1.26 -2.25 116.67 119.24 1xl8 s ASP 204 Ca -0.04 1.62 0.30 0.00 -0.52 0.00 0.00 52.55 53.91 1xl8 s ASP 204 Cb -0.00 -2.56 1.47 0.00 -1.46 0.00 0.00 42.92 40.36 1xl8 s ASP 204 CO -0.04 -0.34 2.00 1.33 0.52 0.00 0.00 175.17 178.65 1xl8 n VAL 205 N 4.16 0.00 -4.15 1.11 0.24 -0.58 -4.82 118.33 114.28 1xl8 n VAL 205 Ca 0.07 -0.03 -0.26 0.00 -2.04 0.00 0.00 64.34 62.08 1xl8 n VAL 205 Cb 0.50 -0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 1xl8 n VAL 205 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xl8 s LEU 206 N -2.41 3.53 -0.27 1.34 1.43 -1.26 -0.93 118.68 120.12 1xl8 s LEU 206 Ca 0.33 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1xl8 s LEU 206 Cb 0.21 -2.16 0.14 0.00 0.03 0.00 0.00 46.19 44.41 1xl8 s LEU 206 CO 0.44 0.08 0.56 -2.28 0.23 0.00 0.00 176.35 175.38 1xl8 s HIS 207 N -1.76 -1.26 -1.51 0.29 2.46 -0.43 -4.89 115.29 108.19 1xl8 s HIS 207 Ca 0.29 1.82 0.00 0.00 0.47 0.00 0.00 55.06 57.64 1xl8 s HIS 207 Cb -0.10 0.55 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 1xl8 s HIS 207 CO 0.21 -0.71 0.00 0.39 -2.47 0.00 0.00 174.74 172.16 1xl8 n GLU 208 N 5.42 -1.22 0.00 2.88 1.02 -1.26 -2.92 120.64 124.57 1xl8 n GLU 208 Ca -0.07 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 1xl8 n GLU 208 Cb 0.50 -5.20 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 1xl8 n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xl8 n GLY 209 N -1.01 2.97 3.85 0.62 0.00 -1.26 -5.05 105.19 105.30 1xl8 n GLY 209 Ca -0.18 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1xl8 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl8 s LEU 211 N -3.91 4.30 0.31 0.00 2.96 -1.26 -1.31 118.68 119.77 1xl8 s LEU 211 Ca 0.36 2.68 -0.28 0.00 -0.22 0.00 0.00 54.13 56.67 1xl8 s LEU 211 Cb -0.07 -3.79 -0.09 0.00 0.50 0.00 0.00 46.19 42.73 1xl8 s LEU 211 CO 0.26 -0.72 1.04 0.27 -1.32 0.00 0.00 176.35 175.87 1xl8 s ILE 212 N -1.21 3.74 0.82 6.68 -4.36 -0.10 -4.87 121.20 121.90 1xl8 s ILE 212 Ca 0.53 1.61 -0.12 0.00 -0.26 0.00 0.00 60.65 62.42 1xl8 s ILE 212 Cb -0.39 -3.97 0.09 0.00 1.25 0.00 0.00 42.46 39.44 1xl8 s ILE 212 CO 0.51 0.27 1.11 0.42 0.24 0.00 0.00 174.94 177.49 1xl8 s THR 213 N -1.34 2.79 0.19 8.37 -4.23 -1.26 -4.78 115.64 115.38 1xl8 s THR 213 Ca 0.48 0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 61.11 1xl8 s THR 213 Cb -0.27 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.67 1xl8 s THR 213 CO 0.34 -0.34 1.69 -0.65 -0.54 0.00 0.00 174.62 175.13 1xl8 h PRO 214 N -1.18 0.15 -0.73 3.99 0.11 -1.93 0.31 132.00 132.71 1xl8 h PRO 214 Ca -0.48 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1xl8 h PRO 214 Cb 1.29 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1xl8 h PRO 214 CO 0.60 0.10 0.29 -1.35 -0.21 0.00 0.00 178.00 177.43 1xl8 h PRO 215 N 0.15 0.44 -0.38 1.05 0.11 -1.89 0.67 132.00 132.15 1xl8 h PRO 215 Ca 0.25 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.21 1xl8 h PRO 215 Cb 0.36 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1xl8 h PRO 215 CO -0.38 0.29 -0.26 0.93 -0.21 0.00 0.00 178.00 178.37 1xl8 h GLU 216 N 0.45 0.78 0.00 1.05 5.08 -1.62 -1.99 114.58 118.34 1xl8 h GLU 216 Ca 0.39 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1xl8 h GLU 216 Cb 0.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1xl8 h GLU 216 CO -0.38 0.95 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.29 1xl8 h LEU 217 N 0.67 0.00 -0.47 1.33 3.38 0.12 -2.08 115.31 118.27 1xl8 h LEU 217 Ca 0.09 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1xl8 h LEU 217 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1xl8 h LEU 217 CO 0.06 0.23 -0.55 0.25 0.09 0.00 0.00 178.44 178.52 1xl8 h LEU 218 N 0.00 0.70 -0.31 1.67 5.85 0.96 -2.58 115.31 121.60 1xl8 h LEU 218 Ca -0.00 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1xl8 h LEU 218 Cb 0.48 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xl8 h LEU 218 CO 0.03 1.10 0.01 -0.09 -0.34 0.00 0.00 178.44 179.15 1xl8 h ARG 219 N 0.48 0.54 -0.99 1.25 2.43 -0.90 -0.85 114.38 116.34 1xl8 h ARG 219 Ca 0.01 -0.17 0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1xl8 h ARG 219 Cb 1.10 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 1xl8 h ARG 219 CO 0.11 0.67 0.64 1.96 -1.51 0.00 0.00 179.97 181.84 1xl8 h GLN 220 N 0.34 1.12 0.00 0.20 1.08 -1.39 0.15 115.11 116.61 1xl8 h GLN 220 Ca 0.09 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 1xl8 h GLN 220 Cb 0.42 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1xl8 h GLN 220 CO 0.01 0.74 -0.27 -0.07 -0.95 0.00 0.00 178.83 178.30 1xl8 h LEU 221 N 1.16 0.00 -0.03 1.46 3.38 -1.32 -3.04 115.31 116.92 1xl8 h LEU 221 Ca 0.43 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.28 1xl8 h LEU 221 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xl8 h LEU 221 CO -0.18 0.27 -0.45 0.74 0.09 0.00 0.00 178.44 178.91 1xl8 h THR 222 N 0.00 1.44 -0.98 0.22 2.02 0.39 -0.95 112.91 115.06 1xl8 h THR 222 Ca -0.00 -1.94 0.02 0.00 0.77 0.00 0.00 66.41 65.26 1xl8 h THR 222 Cb 1.09 2.52 -0.05 0.00 -1.74 0.00 0.00 68.15 69.97 1xl8 h THR 222 CO 0.03 0.56 0.64 0.22 0.37 0.00 0.00 175.52 177.35 1xl8 h TYR 223 N -0.17 1.21 0.01 3.16 5.03 -0.81 -1.80 116.97 123.60 1xl8 h TYR 223 Ca -0.05 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1xl8 h TYR 223 Cb 1.15 -0.41 0.00 0.00 1.55 0.00 0.00 36.73 39.02 1xl8 h TYR 223 CO 0.15 0.74 -0.01 0.82 -1.32 0.00 0.00 178.16 178.54 1xl8 h ILE 224 N 1.28 1.41 -0.39 1.81 2.04 -1.55 -1.80 117.51 120.31 1xl8 h ILE 224 Ca 0.37 -1.29 0.07 0.00 1.00 0.00 0.00 64.86 65.01 1xl8 h ILE 224 Cb -0.08 2.28 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 1xl8 h ILE 224 CO -0.10 0.33 -0.00 -0.74 0.00 0.00 0.00 178.15 177.64 1xl8 h HIS 225 N -0.57 -0.03 -0.21 1.37 2.76 -1.01 -2.77 115.15 114.70 1xl8 h HIS 225 Ca -0.00 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1xl8 h HIS 225 Cb 0.56 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1xl8 h HIS 225 CO 0.12 -0.08 -0.03 0.87 -1.30 0.00 0.00 177.93 177.51 1xl8 h LYS 226 N 0.10 0.39 -0.35 5.26 1.79 -1.40 -1.21 116.57 121.16 1xl8 h LYS 226 Ca 0.19 -0.14 0.10 0.00 -2.18 0.00 0.00 60.65 58.62 1xl8 h LYS 226 Cb 0.27 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1xl8 h LYS 226 CO -0.32 0.61 0.70 -0.22 -1.08 0.00 0.00 179.45 179.15 1xl8 h LYS 227 N 0.13 0.00 0.00 3.15 1.63 -1.03 -1.82 116.57 118.64 1xl8 h LYS 227 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1xl8 h LYS 227 Cb 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1xl8 h LYS 227 CO 0.02 0.00 -0.41 0.00 -3.45 0.00 0.00 179.45 175.60 1xl8 h SER 229 N 0.00 0.66 -0.38 0.00 4.64 -0.31 -3.34 113.55 114.81 1xl8 h SER 229 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1xl8 h SER 229 Cb 1.33 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1xl8 h SER 229 CO 0.00 1.73 0.00 -0.46 -0.87 0.00 0.00 176.83 177.23 1xl8 n ASN 230 N -3.69 2.28 -4.37 4.97 0.23 -1.26 -4.89 115.26 108.53 1xl8 n ASN 230 Ca -0.22 -1.94 -0.25 0.00 -0.53 0.00 0.00 54.58 51.64 1xl8 n ASN 230 Cb 1.05 -0.25 -0.12 0.00 -2.08 0.00 0.00 39.78 38.38 1xl8 n ASN 230 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1xl8 s GLU 231 N -1.49 1.38 1.05 -3.83 2.02 -1.26 -5.14 118.70 111.43 1xl8 s GLU 231 Ca 0.31 -1.44 -0.12 0.00 0.02 0.00 0.00 54.97 53.74 1xl8 s GLU 231 Cb 0.16 -1.59 0.22 0.00 0.10 0.00 0.00 34.13 33.02 1xl8 s GLU 231 CO 0.22 0.34 1.07 -1.25 0.02 0.00 0.00 175.26 175.66 1xl8 s PRO 232 N -2.63 0.01 1.04 0.39 0.04 -1.26 -4.95 135.00 127.64 1xl8 s PRO 232 Ca 0.17 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 1xl8 s PRO 232 Cb -0.07 -1.65 0.07 0.00 0.04 0.00 0.00 34.50 32.89 1xl8 s PRO 232 CO 0.08 -3.15 0.21 0.28 0.04 0.00 0.00 177.00 174.46 1xl8 n VAL 233 N -4.54 0.00 -2.74 -0.36 0.31 -1.26 -5.01 118.33 104.73 1xl8 n VAL 233 Ca 0.06 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1xl8 n VAL 233 Cb 0.54 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1xl8 n VAL 233 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xl8 n GLY 234 N 1.76 2.08 0.34 2.92 0.00 0.12 -4.93 105.19 107.48 1xl8 n GLY 234 Ca 0.04 -2.11 0.19 0.00 0.00 0.00 0.00 46.02 44.14 1xl8 n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xl8 h PRO 235 N 0.00 0.00 -6.12 1.61 0.13 -1.85 -3.43 132.00 122.33 1xl8 h PRO 235 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1xl8 h PRO 235 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1xl8 h PRO 235 CO 0.00 0.00 -0.79 0.43 -0.23 0.00 0.00 178.00 177.41 1xl8 n SER 236 N -3.29 -2.77 -0.07 1.44 7.64 -0.35 -4.86 113.62 111.36 1xl8 n SER 236 Ca -0.01 -0.78 0.12 0.00 1.01 0.00 0.00 58.87 59.21 1xl8 n SER 236 Cb 0.26 -4.12 0.51 0.00 -1.01 0.00 0.00 64.21 59.85 1xl8 n SER 236 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1xl8 h ILE 237 N -2.00 0.89 -0.89 0.44 1.08 -1.86 -2.12 117.51 113.05 1xl8 h ILE 237 Ca -0.60 -0.13 0.15 0.00 -0.39 0.00 0.00 64.86 63.89 1xl8 h ILE 237 Cb 1.36 0.48 -0.09 0.00 -3.07 0.00 0.00 36.82 35.50 1xl8 h ILE 237 CO 0.60 0.07 0.49 0.00 -0.69 0.00 0.00 178.15 178.62 1xl8 h ALA 238 N 1.71 1.37 -0.26 1.87 0.00 -1.85 -1.78 119.26 120.31 1xl8 h ALA 238 Ca 0.26 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1xl8 h ALA 238 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xl8 h ALA 238 CO -0.07 -0.04 0.52 0.00 0.00 0.00 0.00 179.25 179.66 1xl8 h ALA 239 N 1.57 1.86 0.00 0.00 0.00 -1.03 0.17 119.26 121.83 1xl8 h ALA 239 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1xl8 h ALA 239 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xl8 h ALA 239 CO -0.35 -0.66 0.00 1.28 0.00 0.00 0.00 179.25 179.52 1xl8 n LEU 240 N -3.21 0.71 0.08 0.00 4.77 -0.67 -2.49 117.00 116.18 1xl8 n LEU 240 Ca 0.04 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1xl8 n LEU 240 Cb 0.64 -0.56 0.46 0.00 -2.33 0.00 0.00 43.42 41.63 1xl8 n LEU 240 CO 0.19 -0.55 0.87 0.35 -1.33 0.00 0.00 177.39 176.92 1xl8 n THR 241 N -2.27 0.59 0.77 -5.08 -2.24 0.59 -2.89 114.28 103.75 1xl8 n THR 241 Ca 0.02 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1xl8 n THR 241 Cb 0.24 -0.77 0.28 0.00 -2.10 0.00 0.00 70.33 67.98 1xl8 n THR 241 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xl8 n SER 242 N -2.01 2.40 -4.88 3.42 3.41 -1.04 -4.55 113.62 110.37 1xl8 n SER 242 Ca 0.05 -1.87 -0.24 0.00 -0.26 0.00 0.00 58.87 56.54 1xl8 n SER 242 Cb 0.33 -0.21 0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1xl8 n SER 242 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1xl8 s GLU 243 N -1.59 2.17 0.31 4.33 0.41 -1.14 -4.72 118.70 118.47 1xl8 s GLU 243 Ca 0.34 -0.53 -0.29 0.00 -0.41 0.00 0.00 54.97 54.08 1xl8 s GLU 243 Cb 0.19 -2.27 -0.13 0.00 -1.78 0.00 0.00 34.13 30.14 1xl8 s GLU 243 CO 0.26 -1.16 1.35 -1.91 -0.49 0.00 0.00 175.26 173.31 1xl8 n GLU 244 N -2.77 2.13 -0.33 1.61 0.00 -1.26 -4.40 120.64 115.62 1xl8 n GLU 244 Ca 0.09 0.75 0.15 0.00 0.00 0.00 0.00 57.16 58.15 1xl8 n GLU 244 Cb 0.60 -2.37 0.37 0.00 0.00 0.00 0.00 31.44 30.04 1xl8 n GLU 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xl8 h ARG 245 N 3.21 0.66 -0.15 5.31 2.47 -1.17 -2.09 114.38 122.62 1xl8 h ARG 245 Ca -0.46 -0.04 -0.20 0.00 -1.26 0.00 0.00 59.98 58.02 1xl8 h ARG 245 Cb 1.28 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1xl8 h ARG 245 CO 0.68 0.44 -0.70 1.15 0.56 0.00 0.00 179.97 182.09 1xl8 h THR 246 N 0.68 1.30 -0.06 2.04 2.02 -1.78 -2.02 112.91 115.09 1xl8 h THR 246 Ca 0.55 -1.92 0.01 0.00 0.77 0.00 0.00 66.41 65.82 1xl8 h THR 246 Cb 0.98 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1xl8 h THR 246 CO -0.33 0.60 0.00 0.03 0.37 0.00 0.00 175.52 176.20 1xl8 h ARG 247 N 0.45 0.02 -0.66 6.66 3.08 -1.81 0.22 114.38 122.35 1xl8 h ARG 247 Ca -0.05 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1xl8 h ARG 247 Cb 1.34 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.33 1xl8 h ARG 247 CO 0.15 0.02 0.37 2.35 -1.07 0.00 0.00 179.97 181.78 1xl8 h TRP 248 N 0.03 0.68 -0.76 3.04 -0.00 -1.44 0.32 115.95 117.83 1xl8 h TRP 248 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1xl8 h TRP 248 Cb 0.03 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 28.94 1xl8 h TRP 248 CO -0.11 0.33 0.48 0.00 -0.00 0.00 0.00 178.44 179.15 1xl8 h ALA 249 N 1.34 1.43 -0.10 2.65 0.00 -0.78 0.31 119.26 124.09 1xl8 h ALA 249 Ca 0.29 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 1xl8 h ALA 249 Cb 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xl8 h ALA 249 CO -0.18 0.52 -0.82 0.87 0.00 0.00 0.00 179.25 179.64 1xl8 h LYS 250 N 1.03 0.74 -0.43 0.00 1.57 0.48 -2.84 116.57 117.14 1xl8 h LYS 250 Ca 0.28 -0.66 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 1xl8 h LYS 250 Cb -0.09 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1xl8 h LYS 250 CO -0.06 1.26 0.02 0.00 -0.57 0.00 0.00 179.45 180.11 1xl8 h ALA 251 N 0.50 1.25 0.01 3.86 0.00 0.01 -2.44 119.26 122.44 1xl8 h ALA 251 Ca -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xl8 h ALA 251 Cb 1.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xl8 h ALA 251 CO 0.17 0.51 -0.00 -0.09 0.00 0.00 0.00 179.25 179.83 1xl8 h ARG 252 N 0.64 -0.01 -0.98 0.00 2.43 -0.95 0.56 114.38 116.07 1xl8 h ARG 252 Ca 0.13 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1xl8 h ARG 252 Cb 0.37 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 1xl8 h ARG 252 CO 0.01 0.31 0.63 0.93 -1.51 0.00 0.00 179.97 180.34 1xl8 h GLU 253 N -0.33 1.06 0.66 0.20 5.08 -1.42 -1.27 114.58 118.56 1xl8 h GLU 253 Ca -0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1xl8 h GLU 253 Cb 0.32 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1xl8 h GLU 253 CO 0.00 0.70 -0.32 -0.92 -1.00 0.00 0.00 179.01 177.48 1xl8 h TYR 254 N 1.09 -0.82 -1.24 4.33 5.03 -1.32 -0.69 116.97 123.34 1xl8 h TYR 254 Ca 0.44 -0.02 0.39 0.00 2.58 0.00 0.00 58.73 62.12 1xl8 h TYR 254 Cb 0.27 0.27 -0.12 0.00 1.55 0.00 0.00 36.73 38.70 1xl8 h TYR 254 CO -0.00 -0.51 0.80 1.25 -1.32 0.00 0.00 178.16 178.37 1xl8 h LEU 255 N -1.21 0.30 -0.02 2.82 5.85 -0.59 0.57 115.31 123.03 1xl8 h LEU 255 Ca -0.09 0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 1xl8 h LEU 255 Cb 0.68 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.82 1xl8 h LEU 255 CO 0.15 -0.12 -0.68 0.40 -0.34 0.00 0.00 178.44 177.85 1xl8 h ILE 256 N 0.16 1.39 -0.14 4.05 2.04 -1.12 -3.21 117.51 120.69 1xl8 h ILE 256 Ca 0.76 -2.08 0.04 0.00 1.00 0.00 0.00 64.86 64.58 1xl8 h ILE 256 Cb 2.28 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 40.85 1xl8 h ILE 256 CO -0.39 0.62 0.17 0.77 0.00 0.00 0.00 178.15 179.32 1xl8 h SER 257 N 0.04 0.00 -0.22 1.72 4.64 0.17 -0.66 113.55 119.23 1xl8 h SER 257 Ca -0.08 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.04 1xl8 h SER 257 Cb 1.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1xl8 h SER 257 CO 0.13 0.00 -0.66 -0.07 -0.87 0.00 0.00 176.83 175.37 1xl8 h LEU 258 N 0.00 0.97 -7.00 5.97 3.38 -1.34 -3.44 115.31 113.86 1xl8 h LEU 258 Ca 0.06 -0.57 -0.16 0.00 0.09 0.00 0.00 57.88 57.30 1xl8 h LEU 258 Cb 0.41 -0.28 -0.30 0.00 0.09 0.00 0.00 40.66 40.58 1xl8 h LEU 258 CO -0.00 1.38 -0.46 -0.62 0.09 0.00 0.00 178.44 178.82 1xl8 s ASP 259 N -7.03 0.15 0.59 -0.43 -1.08 -0.26 -5.01 116.67 103.60 1xl8 s ASP 259 Ca -0.10 0.63 0.31 0.00 -0.52 0.00 0.00 52.55 52.87 1xl8 s ASP 259 Cb 0.09 1.03 1.70 0.00 -1.46 0.00 0.00 42.92 44.28 1xl8 s ASP 259 CO 0.90 -0.25 1.95 -0.65 0.52 0.00 0.00 175.17 177.63 1xl8 h PRO 260 N 8.22 0.00 0.00 4.34 0.11 -1.85 0.15 132.00 142.97 1xl8 h PRO 260 Ca -0.16 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.82 1xl8 h PRO 260 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1xl8 h PRO 260 CO 0.16 0.00 -0.60 1.49 -0.21 0.00 0.00 178.00 178.84 1xl8 h GLU 261 N 0.00 0.00 -0.40 1.05 4.22 -1.95 -3.21 114.58 114.29 1xl8 h GLU 261 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.51 1xl8 h GLU 261 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1xl8 h GLU 261 CO 0.00 0.60 0.27 -0.91 -2.18 0.00 0.00 179.01 176.79 1xl8 h ASN 262 N 0.00 0.20 -0.36 1.04 2.35 -1.00 0.34 115.58 118.16 1xl8 h ASN 262 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1xl8 h ASN 262 Cb 1.39 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 1xl8 h ASN 262 CO 0.08 0.13 0.08 0.25 -1.65 0.00 0.00 177.43 176.32 1xl8 h LEU 263 N 0.23 0.62 -0.60 1.61 5.85 -1.69 -1.45 115.31 119.88 1xl8 h LEU 263 Ca 0.18 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1xl8 h LEU 263 Cb 0.41 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1xl8 h LEU 263 CO -0.03 0.63 0.04 0.74 -0.34 0.00 0.00 178.44 179.48 1xl8 h THR 264 N 0.64 1.26 -0.33 1.05 2.02 -0.48 -1.66 112.91 115.41 1xl8 h THR 264 Ca 0.14 -1.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 1xl8 h THR 264 Cb 0.28 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1xl8 h THR 264 CO 0.00 0.40 -0.20 -0.07 0.37 0.00 0.00 175.52 176.02 1xl8 h LEU 265 N 0.94 0.75 -1.04 2.58 4.07 -1.01 -1.85 115.31 119.74 1xl8 h LEU 265 Ca 0.17 -0.42 0.01 0.00 0.08 0.00 0.00 57.88 57.73 1xl8 h LEU 265 Cb 0.51 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.99 1xl8 h LEU 265 CO 0.02 1.01 0.65 -0.07 -1.08 0.00 0.00 178.44 178.97 1xl8 h LEU 266 N 0.50 1.11 -1.08 1.67 3.38 -1.17 -1.19 115.31 118.53 1xl8 h LEU 266 Ca 0.07 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1xl8 h LEU 266 Cb 0.75 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xl8 h LEU 266 CO 0.06 0.80 -0.46 -0.33 0.09 0.00 0.00 178.44 178.60 1xl8 h GLU 267 N 1.31 0.00 -0.50 1.13 5.08 -1.14 -0.73 114.58 119.73 1xl8 h GLU 267 Ca 0.36 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1xl8 h GLU 267 Cb -0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1xl8 h GLU 267 CO -0.08 0.46 0.14 0.87 -1.00 0.00 0.00 179.01 179.40 1xl8 h LYS 268 N 0.00 0.80 -0.34 2.33 1.57 -0.37 -0.30 116.57 120.25 1xl8 h LYS 268 Ca -0.00 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1xl8 h LYS 268 Cb 0.81 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1xl8 h LYS 268 CO 0.06 0.75 -0.18 0.82 -0.57 0.00 0.00 179.45 180.34 1xl8 h ILE 269 N 0.69 1.29 -0.75 1.86 2.04 -1.12 -2.47 117.51 119.06 1xl8 h ILE 269 Ca 0.16 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1xl8 h ILE 269 Cb 0.30 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1xl8 h ILE 269 CO -0.00 0.42 0.35 1.56 0.00 0.00 0.00 178.15 180.48 1xl8 h GLN 270 N 0.50 1.07 0.00 2.37 4.20 -0.94 -3.02 115.11 119.29 1xl8 h GLN 270 Ca 0.07 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1xl8 h GLN 270 Cb 0.72 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1xl8 h GLN 270 CO 0.05 0.83 -0.40 1.79 -0.67 0.00 0.00 178.83 180.43 1xl8 h THR 271 N 1.06 0.00 -3.55 -0.54 1.35 -1.05 -3.35 112.91 106.84 1xl8 h THR 271 Ca 0.26 -0.62 -0.57 0.00 -0.55 0.00 0.00 66.41 64.93 1xl8 h THR 271 Cb 0.12 1.37 0.15 0.00 -1.73 0.00 0.00 68.15 68.07 1xl8 h THR 271 CO -0.03 0.00 0.26 -1.54 -0.25 0.00 0.00 175.52 173.96 1xl8 n SER 272 N -2.36 1.41 -0.34 5.36 3.41 -0.93 -4.44 113.62 115.73 1xl8 n SER 272 Ca 0.04 0.92 0.20 0.00 -0.26 0.00 0.00 58.87 59.77 1xl8 n SER 272 Cb 0.46 -1.43 0.45 0.00 -0.26 0.00 0.00 64.21 63.44 1xl8 n SER 272 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xl8 h LEU 273 N 1.05 0.56 -7.03 1.04 3.38 -1.00 -2.77 115.31 110.55 1xl8 h LEU 273 Ca -0.48 0.11 0.37 0.00 0.09 0.00 0.00 57.88 57.97 1xl8 h LEU 273 Cb 1.34 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 1xl8 h LEU 273 CO 0.54 0.09 0.97 0.72 0.09 0.00 0.00 178.44 180.86 1xl8 s PHE 274 N -5.63 -0.01 -0.18 1.13 -0.12 -1.26 -0.87 117.98 111.03 1xl8 s PHE 274 Ca -0.10 -0.00 -0.09 0.00 -0.05 0.00 0.00 56.93 56.69 1xl8 s PHE 274 Cb 0.26 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 43.11 1xl8 s PHE 274 CO 0.80 -0.04 0.10 0.08 -0.05 0.00 0.00 175.22 176.11 1xl8 s VAL 275 N -2.07 5.16 -0.24 -2.49 1.01 -1.11 -2.27 120.40 118.40 1xl8 s VAL 275 Ca 0.14 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 1xl8 s VAL 275 Cb 0.05 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1xl8 s VAL 275 CO -0.05 0.47 0.01 -0.47 0.00 0.00 0.00 175.10 175.06 1xl8 s TYR 276 N 0.21 3.03 -0.19 5.22 5.04 0.35 -1.02 117.35 129.99 1xl8 s TYR 276 Ca 0.07 -0.77 -0.07 0.00 -2.44 0.00 0.00 57.07 53.85 1xl8 s TYR 276 Cb -0.12 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.98 1xl8 s TYR 276 CO -0.01 -0.49 0.06 -1.12 -1.34 0.00 0.00 175.55 172.65 1xl8 s SER 277 N 1.53 5.56 -0.39 4.32 0.01 0.21 -1.07 113.70 123.87 1xl8 s SER 277 Ca 0.05 0.05 -0.10 0.00 1.31 0.00 0.00 55.95 57.26 1xl8 s SER 277 Cb -0.15 -1.95 0.04 0.00 0.21 0.00 0.00 66.02 64.17 1xl8 s SER 277 CO -0.00 0.16 0.22 -0.63 0.41 0.00 0.00 173.24 173.40 1xl8 s ILE 278 N 0.45 4.45 0.41 1.44 1.01 -0.81 -0.55 121.20 127.59 1xl8 s ILE 278 Ca 0.03 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.70 1xl8 s ILE 278 Cb -0.13 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1xl8 s ILE 278 CO 0.01 -0.31 0.58 -1.61 0.00 0.00 0.00 174.94 173.61 1xl8 s GLU 279 N 1.51 2.98 0.00 2.79 0.41 0.17 -4.61 118.70 121.96 1xl8 s GLU 279 Ca 0.02 -0.89 0.05 0.00 -0.41 0.00 0.00 54.97 53.74 1xl8 s GLU 279 Cb -0.20 -2.70 -0.02 0.00 -1.78 0.00 0.00 34.13 29.43 1xl8 s GLU 279 CO 0.05 -0.18 0.39 -0.25 -0.49 0.00 0.00 175.26 174.78 1xl8 n ASP 280 N -1.88 0.71 -4.81 -0.19 8.00 -1.26 -3.88 116.55 113.24 1xl8 n ASP 280 Ca 0.03 -0.85 -0.30 0.00 0.71 0.00 0.00 54.79 54.38 1xl8 n ASP 280 Cb 0.58 0.62 0.10 0.00 -0.02 0.00 0.00 41.12 42.40 1xl8 n ASP 280 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xl8 s SER 281 N -1.10 4.30 -0.36 -2.24 1.04 -1.26 -4.51 113.70 109.57 1xl8 s SER 281 Ca 0.04 1.19 0.01 0.00 0.48 0.00 0.00 55.95 57.66 1xl8 s SER 281 Cb 0.04 -1.87 0.14 0.00 0.10 0.00 0.00 66.02 64.43 1xl8 s SER 281 CO 0.16 -2.07 0.23 -0.44 0.98 0.00 0.00 173.24 172.09 1xl8 s SER 282 N -3.99 2.84 0.28 7.02 0.01 -1.26 -1.36 113.70 117.24 1xl8 s SER 282 Ca 0.61 -2.32 -0.29 0.00 1.31 0.00 0.00 55.95 55.26 1xl8 s SER 282 Cb -0.14 -0.45 -0.10 0.00 0.21 0.00 0.00 66.02 65.54 1xl8 s SER 282 CO 0.54 -0.29 1.28 -2.16 0.41 0.00 0.00 173.24 173.02 1xl8 s PRO 283 N 0.90 4.40 -0.33 12.44 0.04 -1.26 -4.92 135.00 146.27 1xl8 s PRO 283 Ca 0.20 2.11 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 1xl8 s PRO 283 Cb -0.20 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1xl8 s PRO 283 CO -0.02 -0.16 1.93 -1.58 0.04 0.00 0.00 177.00 177.22 1xl8 s HIS 284 N -0.72 1.61 -0.26 0.56 2.46 -1.26 -4.86 115.29 112.82 1xl8 s HIS 284 Ca 0.51 0.66 0.02 0.00 0.47 0.00 0.00 55.06 56.72 1xl8 s HIS 284 Cb -0.38 -4.05 0.07 0.00 -0.13 0.00 0.00 32.58 28.09 1xl8 s HIS 284 CO 0.46 -3.16 -0.06 0.00 -2.47 0.00 0.00 174.74 169.52 1xl8 s ALA 285 N 7.64 2.30 0.03 1.58 0.00 -1.26 -4.16 121.76 127.89 1xl8 s ALA 285 Ca 0.85 -1.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1xl8 s ALA 285 Cb -0.24 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1xl8 s ALA 285 CO 0.33 -1.27 0.08 0.95 0.00 0.00 0.00 175.76 175.85 1xl8 s THR 286 N 1.23 0.12 0.64 0.00 -4.23 -0.54 -4.12 115.64 108.74 1xl8 s THR 286 Ca -0.05 -1.03 0.23 0.00 -1.18 0.00 0.00 61.69 59.66 1xl8 s THR 286 Cb -0.19 -0.76 0.27 0.00 1.34 0.00 0.00 72.50 73.16 1xl8 s THR 286 CO -0.07 -0.57 1.61 -0.65 -0.54 0.00 0.00 174.62 174.41 1xl8 h PRO 287 N 3.88 0.00 0.00 3.99 0.11 -1.96 -2.03 132.00 135.99 1xl8 h PRO 287 Ca -0.32 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.48 1xl8 h PRO 287 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1xl8 h PRO 287 CO 0.48 0.00 -1.69 0.39 -0.21 0.00 0.00 178.00 176.97 1xl8 n GLU 288 N -3.07 0.58 -4.02 1.05 4.71 -1.26 -4.89 120.64 113.73 1xl8 n GLU 288 Ca 0.05 0.47 -0.31 0.00 -0.01 0.00 0.00 57.16 57.36 1xl8 n GLU 288 Cb 0.77 -1.67 -0.16 0.00 -1.01 0.00 0.00 31.44 29.38 1xl8 n GLU 288 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1xl8 s GLU 289 N -2.42 2.13 0.00 3.49 2.56 -0.76 -4.88 118.70 118.82 1xl8 s GLU 289 Ca -0.32 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 53.64 1xl8 s GLU 289 Cb 0.09 -2.60 0.00 0.00 2.00 0.00 0.00 34.13 33.62 1xl8 s GLU 289 CO 0.57 -0.47 0.11 2.48 -0.56 0.00 0.00 175.26 177.38 1xl8 n TYR 290 N 4.60 0.00 -0.28 5.30 0.18 -1.25 -1.47 117.16 124.25 1xl8 n TYR 290 Ca -0.15 -0.01 0.24 0.00 1.88 0.00 0.00 57.90 59.86 1xl8 n TYR 290 Cb 0.45 -0.00 0.56 0.00 -0.38 0.00 0.00 39.34 39.98 1xl8 n TYR 290 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1xl8 h SER 291 N 0.00 0.33 0.02 9.48 4.64 -1.84 0.47 113.55 126.64 1xl8 h SER 291 Ca 0.00 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1xl8 h SER 291 Cb 0.51 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1xl8 h SER 291 CO 0.00 0.09 -0.02 -0.61 -0.87 0.00 0.00 176.83 175.42 1xl8 h GLN 292 N 0.30 0.02 -0.55 4.77 4.15 -1.88 -1.41 115.11 120.51 1xl8 h GLN 292 Ca 0.53 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.87 1xl8 h GLN 292 Cb 1.51 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.17 1xl8 h GLN 292 CO -0.19 0.05 0.02 0.28 -1.93 0.00 0.00 178.83 177.06 1xl8 h VAL 293 N 0.02 1.25 -0.40 2.39 2.07 -0.27 -2.84 116.25 118.47 1xl8 h VAL 293 Ca 0.01 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1xl8 h VAL 293 Cb 0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1xl8 h VAL 293 CO 0.00 0.38 0.09 -0.26 0.02 0.00 0.00 177.57 177.81 1xl8 h PHE 294 N 0.86 0.67 0.00 1.57 0.04 -1.29 -1.99 116.94 116.80 1xl8 h PHE 294 Ca 0.16 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1xl8 h PHE 294 Cb 0.48 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1xl8 h PHE 294 CO 0.03 0.65 0.00 0.39 -0.60 0.00 0.00 178.31 178.78 1xl8 n GLU 295 N -4.56 0.00 0.00 1.51 1.02 -0.98 -1.18 120.64 116.46 1xl8 n GLU 295 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1xl8 n GLU 295 Cb 0.21 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1xl8 n GLU 295 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1xl8 n LEU 297 N 0.45 0.00 0.13 -4.62 7.94 -0.75 0.04 117.00 120.20 1xl8 n LEU 297 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 1xl8 n LEU 297 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 1xl8 n LEU 297 CO 0.00 0.00 0.40 -0.07 -1.11 0.00 0.00 177.39 176.61 1xl8 h LEU 298 N 0.00 0.00 0.00 -1.96 3.38 -1.41 -3.43 115.31 111.88 1xl8 h LEU 298 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xl8 h LEU 298 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xl8 h LEU 298 CO 0.00 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1xl8 n GLY 299 N 1.23 0.01 7.00 0.83 0.00 0.11 -4.77 105.19 109.60 1xl8 n GLY 299 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xl8 n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl8 n GLY 300 N 3.99 -0.14 3.28 -0.02 0.00 -1.26 -4.59 105.19 106.45 1xl8 n GLY 300 Ca 0.00 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1xl8 n GLY 300 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xl8 s ASP 301 N -4.00 5.66 0.64 1.61 -1.08 -1.26 -4.94 116.67 113.30 1xl8 s ASP 301 Ca 0.00 -1.45 0.27 0.00 -0.52 0.00 0.00 52.55 50.85 1xl8 s ASP 301 Cb 0.00 -2.00 1.42 0.00 -1.46 0.00 0.00 42.92 40.88 1xl8 s ASP 301 CO 0.00 -0.53 1.81 -0.65 0.52 0.00 0.00 175.17 176.33 1xl8 h PRO 302 N 8.42 0.00 -0.02 4.34 0.11 -1.93 -2.25 132.00 140.67 1xl8 h PRO 302 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1xl8 h PRO 302 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xl8 h PRO 302 CO 0.75 0.00 0.02 0.66 -0.21 0.00 0.00 178.00 179.22 1xl8 h SER 303 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -2.62 113.55 111.62 1xl8 h SER 303 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1xl8 h SER 303 Cb 0.99 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 1xl8 h SER 303 CO -0.00 0.00 -0.28 1.33 -0.87 0.00 0.00 176.83 177.00 1xl8 n VAL 304 N -3.76 1.69 -5.16 0.95 0.24 -0.85 -4.08 118.33 107.37 1xl8 n VAL 304 Ca -0.03 -2.30 -0.32 0.00 -2.04 0.00 0.00 64.34 59.66 1xl8 n VAL 304 Cb 0.11 -0.09 -0.16 0.00 -1.47 0.00 0.00 33.84 32.23 1xl8 n VAL 304 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xl8 s ARG 305 N -2.54 2.62 -0.73 7.34 1.81 -1.02 -4.59 118.95 121.85 1xl8 s ARG 305 Ca 0.31 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 1xl8 s ARG 305 Cb 0.29 -2.24 0.18 0.00 -0.45 0.00 0.00 34.95 32.73 1xl8 s ARG 305 CO -0.02 0.40 0.55 -0.46 -0.68 0.00 0.00 175.30 175.09 1xl8 s TRP 306 N -0.21 3.59 0.59 -0.53 -0.11 -1.26 -4.40 118.94 116.61 1xl8 s TRP 306 Ca -0.02 -3.05 0.29 0.00 1.22 0.00 0.00 56.10 54.54 1xl8 s TRP 306 Cb -0.13 -3.04 1.50 0.00 -1.50 0.00 0.00 33.47 30.30 1xl8 s TRP 306 CO 0.03 -0.71 1.93 0.78 -4.62 0.00 0.00 176.95 174.35 1xl8 h GLY 307 N 6.18 0.00 2.00 5.86 0.00 -1.87 -0.34 103.07 114.91 1xl8 h GLY 307 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xl8 h GLY 307 CO 0.76 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.52 1xl8 n ASP 308 N -3.72 0.49 -4.72 0.19 8.00 -1.26 -4.35 116.55 111.18 1xl8 n ASP 308 Ca 0.07 0.58 -0.42 0.00 0.71 0.00 0.00 54.79 55.74 1xl8 n ASP 308 Cb 0.62 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1xl8 n ASP 308 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1xl8 s LYS 309 N -3.14 4.56 0.41 -1.24 2.47 -0.14 0.54 119.74 123.20 1xl8 s LYS 309 Ca 0.08 1.55 0.10 0.00 -1.56 0.00 0.00 55.97 56.15 1xl8 s LYS 309 Cb 0.12 -3.39 0.92 0.00 -1.46 0.00 0.00 37.83 34.02 1xl8 s LYS 309 CO 0.45 -0.04 2.00 0.66 0.16 0.00 0.00 175.35 178.59 1xl8 h SER 310 N 6.36 0.45 -3.16 1.43 4.64 -1.79 -3.01 113.55 118.48 1xl8 h SER 310 Ca -0.42 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.42 1xl8 h SER 310 Cb 1.22 -0.10 -0.40 0.00 -0.31 0.00 0.00 62.40 62.81 1xl8 h SER 310 CO 0.76 0.30 -0.76 -0.47 -0.87 0.00 0.00 176.83 175.79 1xl8 s TYR 311 N -5.48 0.56 -0.39 4.77 5.04 -1.26 -3.19 117.35 117.41 1xl8 s TYR 311 Ca -0.08 -0.52 0.03 0.00 -2.44 0.00 0.00 57.07 54.06 1xl8 s TYR 311 Cb 0.19 -0.83 0.11 0.00 0.35 0.00 0.00 41.96 41.78 1xl8 s TYR 311 CO 0.75 -0.53 0.11 1.21 -1.34 0.00 0.00 175.55 175.75 1xl8 s ASN 312 N 2.01 4.71 -0.02 4.32 3.04 -0.70 -2.76 114.94 125.54 1xl8 s ASN 312 Ca 0.01 -2.36 -0.30 0.00 0.04 0.00 0.00 52.86 50.25 1xl8 s ASN 312 Cb -0.16 -1.65 -0.05 0.00 -1.54 0.00 0.00 41.25 37.85 1xl8 s ASN 312 CO -0.08 -0.36 1.33 -0.22 -3.04 0.00 0.00 177.10 174.74 1xl8 s LEU 313 N 0.63 4.30 -0.19 3.21 0.20 -0.19 -1.90 118.68 124.75 1xl8 s LEU 313 Ca 0.12 2.01 -0.05 0.00 0.69 0.00 0.00 54.13 56.90 1xl8 s LEU 313 Cb -0.21 -3.56 -0.03 0.00 -0.43 0.00 0.00 46.19 41.96 1xl8 s LEU 313 CO -0.06 -0.67 0.01 -0.63 -0.29 0.00 0.00 176.35 174.71 1xl8 s ILE 314 N 2.34 4.16 -0.19 6.68 -1.09 0.27 -0.62 121.20 132.74 1xl8 s ILE 314 Ca 0.61 -0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 58.76 1xl8 s ILE 314 Cb -0.29 -2.87 -0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1xl8 s ILE 314 CO 0.25 0.45 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.76 1xl8 s SER 315 N 0.70 3.97 0.46 3.58 0.15 0.29 -1.30 113.70 121.56 1xl8 s SER 315 Ca 0.00 -0.43 0.06 0.00 0.70 0.00 0.00 55.95 56.28 1xl8 s SER 315 Cb -0.14 -1.65 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 1xl8 s SER 315 CO 0.02 0.03 0.64 -0.36 1.20 0.00 0.00 173.24 174.77 1xl8 s PHE 316 N 1.18 2.76 0.22 3.44 0.40 -0.26 -0.66 117.98 125.06 1xl8 s PHE 316 Ca 0.02 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1xl8 s PHE 316 Cb -0.14 -2.48 0.21 0.00 0.51 0.00 0.00 43.02 41.12 1xl8 s PHE 316 CO -0.03 -0.58 1.66 0.00 0.70 0.00 0.00 175.22 176.97 1xl8 h ALA 317 N 0.46 0.93 0.00 5.36 0.00 -1.33 -2.92 119.26 121.75 1xl8 h ALA 317 Ca -0.40 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1xl8 h ALA 317 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xl8 h ALA 317 CO 0.47 0.62 0.00 0.27 0.00 0.00 0.00 179.25 180.61 1xl8 n ASN 318 N -4.14 1.58 -1.28 0.00 0.23 -1.26 -3.65 115.26 106.73 1xl8 n ASN 318 Ca 0.01 -1.98 -0.15 0.00 -0.53 0.00 0.00 54.58 51.93 1xl8 n ASN 318 Cb 0.39 -0.49 -0.05 0.00 -2.08 0.00 0.00 39.78 37.55 1xl8 n ASN 318 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xl8 n GLY 319 N 0.16 1.07 3.92 4.83 0.00 -1.10 -0.90 105.19 113.16 1xl8 n GLY 319 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1xl8 n GLY 319 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xl8 s ILE 320 N -2.60 5.23 0.15 -0.61 -1.09 -1.26 -4.88 121.20 116.14 1xl8 s ILE 320 Ca 0.00 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.22 1xl8 s ILE 320 Cb 0.00 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1xl8 s ILE 320 CO 0.00 -0.04 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.18 1xl8 s PHE 321 N -1.72 1.42 0.22 3.97 0.08 -1.26 -1.11 117.98 119.58 1xl8 s PHE 321 Ca 0.38 -0.63 -0.22 0.00 0.12 0.00 0.00 56.93 56.59 1xl8 s PHE 321 Cb -0.12 -0.71 0.04 0.00 -0.57 0.00 0.00 43.02 41.66 1xl8 s PHE 321 CO 0.27 0.17 0.66 0.20 -0.10 0.00 0.00 175.22 176.42 1xl8 s GLY 322 N -2.87 -0.31 0.08 4.36 0.00 -0.42 -0.76 107.32 107.41 1xl8 s GLY 322 Ca 0.14 0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.97 1xl8 s GLY 322 CO 0.03 -0.00 -0.21 0.00 0.00 0.00 0.00 173.10 172.91 1xl8 s ASP 326 N -1.55 6.95 0.14 0.00 2.15 -1.14 -1.82 116.67 121.40 1xl8 s ASP 326 Ca 0.05 1.64 0.20 0.00 0.43 0.00 0.00 52.55 54.87 1xl8 s ASP 326 Cb -0.09 -2.54 0.83 0.00 -0.30 0.00 0.00 42.92 40.82 1xl8 s ASP 326 CO 0.03 -0.76 1.62 1.57 -0.17 0.00 0.00 175.17 177.46 1xl8 n HIS 327 N 6.61 0.46 0.17 -5.34 -0.00 -1.26 -4.05 115.22 111.79 1xl8 n HIS 327 Ca 0.14 0.18 -0.14 0.00 -0.00 0.00 0.00 57.72 57.89 1xl8 n HIS 327 Cb 0.45 -0.78 -0.08 0.00 -0.00 0.00 0.00 29.99 29.58 1xl8 n HIS 327 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xl8 h ALA 328 N 2.40 -0.37 0.00 1.57 0.00 -1.92 -3.29 119.26 117.65 1xl8 h ALA 328 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xl8 h ALA 328 Cb 0.34 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xl8 h ALA 328 CO 0.00 -0.68 -0.28 -1.00 0.00 0.00 0.00 179.25 177.29 1xl8 h PRO 329 N -0.42 0.00 -2.77 0.00 0.13 -1.99 -3.47 132.00 123.47 1xl8 h PRO 329 Ca -0.04 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.18 1xl8 h PRO 329 Cb 0.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 1xl8 h PRO 329 CO 0.06 0.28 0.35 1.52 -0.23 0.00 0.00 178.00 179.98 1xl8 s TYR 330 N -3.46 -0.07 0.43 1.56 -0.85 -1.24 -4.92 117.35 108.79 1xl8 s TYR 330 Ca 0.02 -0.39 0.06 0.00 -0.52 0.00 0.00 57.07 56.24 1xl8 s TYR 330 Cb 0.09 0.72 0.01 0.00 0.38 0.00 0.00 41.96 43.16 1xl8 s TYR 330 CO 0.67 -1.18 0.59 -0.51 -1.52 0.00 0.00 175.55 173.60 1xl8 s ASP 331 N -3.02 5.66 0.00 -0.18 1.01 -1.26 -4.61 116.67 114.28 1xl8 s ASP 331 Ca 0.14 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.11 1xl8 s ASP 331 Cb -0.04 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.06 1xl8 s ASP 331 CO 0.07 -0.76 0.62 0.00 0.21 0.00 0.00 175.17 175.31 1xl8 n ALA 332 N -1.90 0.83 -0.70 5.23 0.00 -1.26 -4.94 120.51 117.77 1xl8 n ALA 332 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xl8 n ALA 332 Cb 0.59 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1xl8 n ALA 332 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xl8 n VAL 334 N 3.67 0.00 0.00 0.00 0.31 -1.26 -4.63 118.33 116.42 1xl8 n VAL 334 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xl8 n VAL 334 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xl8 n VAL 334 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xl8 n VAL 336 N -0.61 0.00 0.02 2.52 0.31 -1.26 -2.19 118.33 117.12 1xl8 n VAL 336 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1xl8 n VAL 336 Cb 0.06 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 1xl8 n VAL 336 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1xl8 h ASN 337 N 0.00 0.04 -0.44 4.52 2.35 -1.96 -0.17 115.58 119.92 1xl8 h ASN 337 Ca 0.00 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 1xl8 h ASN 337 Cb 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1xl8 h ASN 337 CO 0.00 0.11 -0.20 -0.29 -1.65 0.00 0.00 177.43 175.39 1xl8 h ILE 338 N -0.03 1.27 -1.01 2.81 2.10 -1.85 0.31 117.51 121.11 1xl8 h ILE 338 Ca 0.01 -1.36 0.03 0.00 1.08 0.00 0.00 64.86 64.62 1xl8 h ILE 338 Cb 0.08 1.21 -0.05 0.00 -1.09 0.00 0.00 36.82 36.96 1xl8 h ILE 338 CO -0.00 0.46 0.66 0.00 -1.08 0.00 0.00 178.15 178.19 1xl8 h ALA 339 N 0.84 1.32 -0.26 0.18 0.00 -1.81 0.26 119.26 119.79 1xl8 h ALA 339 Ca 0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1xl8 h ALA 339 Cb 0.77 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xl8 h ALA 339 CO 0.06 0.60 -0.36 1.25 0.00 0.00 0.00 179.25 180.81 1xl8 h HIS 340 N 1.31 0.86 -0.56 0.00 -0.00 -0.80 -1.72 115.15 114.24 1xl8 h HIS 340 Ca 0.39 -0.28 0.07 0.00 -0.00 0.00 0.00 60.37 60.55 1xl8 h HIS 340 Cb -0.06 -0.17 -0.06 0.00 -0.00 0.00 0.00 27.41 27.11 1xl8 h HIS 340 CO -0.00 1.04 0.23 -0.92 -0.00 0.00 0.00 177.93 178.28 1xl8 h TYR 341 N 0.43 0.40 -0.44 5.26 3.20 -0.14 -0.75 116.97 124.94 1xl8 h TYR 341 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1xl8 h TYR 341 Cb 0.94 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1xl8 h TYR 341 CO 0.08 0.14 0.17 0.28 -1.64 0.00 0.00 178.16 177.18 1xl8 h VAL 342 N 0.42 1.20 -1.00 1.81 2.07 -0.90 -1.53 116.25 118.32 1xl8 h VAL 342 Ca 0.27 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.27 1xl8 h VAL 342 Cb 0.29 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1xl8 h VAL 342 CO -0.25 0.23 0.63 -0.78 0.02 0.00 0.00 177.57 177.42 1xl8 h ASP 343 N 0.56 0.93 -0.42 0.57 3.58 -0.46 0.22 116.42 121.40 1xl8 h ASP 343 Ca 0.14 0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.49 1xl8 h ASP 343 Cb 0.20 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1xl8 h ASP 343 CO -0.01 0.50 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.21 1xl8 h GLU 344 N 1.01 0.96 -0.80 0.28 5.08 -0.81 -1.71 114.58 118.59 1xl8 h GLU 344 Ca 0.49 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1xl8 h GLU 344 Cb 0.47 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1xl8 h GLU 344 CO -0.26 1.13 0.37 0.00 -1.00 0.00 0.00 179.01 179.25 1xl8 h ARG 345 N 0.81 1.16 -0.60 2.33 2.47 0.01 -0.98 114.38 119.57 1xl8 h ARG 345 Ca 0.08 -0.18 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 1xl8 h ARG 345 Cb 0.90 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 1xl8 h ARG 345 CO 0.08 0.91 0.23 0.28 0.56 0.00 0.00 179.97 182.03 1xl8 h VAL 346 N 1.14 1.23 -0.25 2.04 2.07 -0.46 -2.32 116.25 119.70 1xl8 h VAL 346 Ca 0.27 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1xl8 h VAL 346 Cb 0.14 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1xl8 h VAL 346 CO -0.03 0.29 0.13 -0.07 0.02 0.00 0.00 177.57 177.91 1xl8 h LEU 347 N 0.84 0.32 -0.84 2.57 3.38 -0.78 0.32 115.31 121.12 1xl8 h LEU 347 Ca 0.20 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xl8 h LEU 347 Cb 0.22 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1xl8 h LEU 347 CO -0.01 0.33 0.41 -0.33 0.09 0.00 0.00 178.44 178.93 1xl8 h GLU 348 N 0.29 1.21 -0.45 1.13 5.08 -1.09 -2.55 114.58 118.20 1xl8 h GLU 348 Ca 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xl8 h GLU 348 Cb 0.08 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1xl8 h GLU 348 CO -0.01 0.92 0.00 0.25 -1.00 0.00 0.00 179.01 179.17 1xl8 n THR 349 N -4.33 0.65 -2.04 1.13 -2.24 -0.88 -4.89 114.28 101.67 1xl8 n THR 349 Ca 0.08 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 1xl8 n THR 349 Cb 0.13 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 1xl8 n THR 349 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xl8 n GLU 350 N 0.67 -1.88 -2.33 -0.78 1.02 -0.48 -0.54 120.64 116.33 1xl8 n GLU 350 Ca 0.14 0.64 -0.10 0.00 -0.02 0.00 0.00 57.16 57.82 1xl8 n GLU 350 Cb 0.39 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 1xl8 n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xl8 n GLY 351 N -0.59 0.04 3.05 0.62 0.00 0.10 -4.89 105.19 103.52 1xl8 n GLY 351 Ca -0.14 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1xl8 n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl8 s ARG 352 N -4.67 0.48 -0.25 1.61 0.52 0.30 -5.02 118.95 111.92 1xl8 s ARG 352 Ca 0.05 -0.95 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 1xl8 s ARG 352 Cb -0.02 0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.57 1xl8 s ARG 352 CO 0.06 -0.09 0.22 -0.46 0.02 0.00 0.00 175.30 175.05 1xl8 s TRP 353 N -2.84 3.29 -0.16 -0.53 -0.11 -1.26 -4.79 118.94 112.55 1xl8 s TRP 353 Ca -0.03 0.27 0.17 0.00 1.22 0.00 0.00 56.10 57.73 1xl8 s TRP 353 Cb 0.00 -2.36 0.37 0.00 -1.50 0.00 0.00 33.47 29.98 1xl8 s TRP 353 CO -0.06 -0.02 1.24 1.63 -4.62 0.00 0.00 176.95 175.11 1xl8 n LYS 354 N 4.58 1.74 -0.36 5.86 5.02 -1.26 -5.02 118.16 128.73 1xl8 n LYS 354 Ca -0.13 -2.73 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1xl8 n LYS 354 Cb 0.52 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1xl8 n LYS 354 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xl8 n GLY 355 N -1.17 1.80 3.68 0.72 0.00 -1.26 -5.05 105.19 103.90 1xl8 n GLY 355 Ca 0.18 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1xl8 n GLY 355 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xl8 n SER 356 N -1.12 2.25 -0.76 1.61 2.88 -1.26 -4.91 113.62 112.32 1xl8 n SER 356 Ca 0.00 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1xl8 n SER 356 Cb 0.00 -1.46 0.14 0.00 -0.75 0.00 0.00 64.21 62.14 1xl8 n SER 356 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xl8 n GLU 357 N 0.16 1.91 -1.73 -1.46 1.02 -1.26 -4.82 120.64 114.47 1xl8 n GLU 357 Ca 0.07 -1.52 -0.39 0.00 -0.02 0.00 0.00 57.16 55.30 1xl8 n GLU 357 Cb 0.39 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1xl8 n GLU 357 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xl8 n LYS 358 N 0.78 1.69 -3.75 3.49 4.76 -1.26 -4.94 118.16 118.93 1xl8 n LYS 358 Ca 0.13 0.62 -0.29 0.00 -2.87 0.00 0.00 58.31 55.90 1xl8 n LYS 358 Cb 0.53 -2.52 -0.13 0.00 -1.84 0.00 0.00 35.03 31.06 1xl8 n LYS 358 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xl8 s VAL 359 N -1.29 1.65 0.89 -0.18 1.01 -1.26 -4.63 120.40 116.59 1xl8 s VAL 359 Ca 0.70 -2.77 -0.14 0.00 0.00 0.00 0.00 61.98 59.77 1xl8 s VAL 359 Cb -0.43 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1xl8 s VAL 359 CO 0.50 -0.89 0.45 0.54 0.00 0.00 0.00 175.10 175.70 1xl8 n ARG 360 N 3.38 -0.11 -2.63 2.72 1.74 -1.26 -4.84 116.66 115.66 1xl8 n ARG 360 Ca 0.09 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1xl8 n ARG 360 Cb 0.34 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1xl8 n ARG 360 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1xl8 s ASP 361 N -1.86 6.53 0.01 0.55 2.15 -1.26 -4.98 116.67 117.81 1xl8 s ASP 361 Ca 0.59 -1.58 0.02 0.00 0.43 0.00 0.00 52.55 52.01 1xl8 s ASP 361 Cb -0.25 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 1xl8 s ASP 361 CO 0.65 -1.42 -0.02 0.27 -0.17 0.00 0.00 175.17 174.48 1xl8 s ILE 362 N 4.53 3.99 0.47 4.11 -4.36 -1.26 -5.08 121.20 123.59 1xl8 s ILE 362 Ca 0.44 -0.68 -0.20 0.00 -0.26 0.00 0.00 60.65 59.94 1xl8 s ILE 362 Cb -0.01 -2.77 -0.13 0.00 1.25 0.00 0.00 42.46 40.80 1xl8 s ILE 362 CO -0.10 0.36 0.24 -2.65 0.24 0.00 0.00 174.94 173.04 1xl8 n PRO 363 N 1.39 0.25 -2.26 0.37 -0.02 -1.26 -4.95 135.00 128.52 1xl8 n PRO 363 Ca -0.15 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 1xl8 n PRO 363 Cb 0.53 -1.27 0.01 0.00 -0.02 0.00 0.00 33.50 32.74 1xl8 n PRO 363 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xl8 s LEU 364 N 3.11 3.42 0.26 2.45 1.43 -1.26 -4.95 118.68 123.15 1xl8 s LEU 364 Ca 0.62 1.16 -0.31 0.00 -1.03 0.00 0.00 54.13 54.57 1xl8 s LEU 364 Cb -0.55 -4.15 -0.12 0.00 0.03 0.00 0.00 46.19 41.40 1xl8 s LEU 364 CO 0.61 -0.73 1.64 -2.84 0.23 0.00 0.00 176.35 175.26 1xl8 s PRO 365 N -4.96 4.12 -0.15 1.29 0.02 -1.26 -4.94 135.00 129.12 1xl8 s PRO 365 Ca 0.51 2.60 -0.12 0.00 0.02 0.00 0.00 61.00 64.01 1xl8 s PRO 365 Cb -0.11 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1xl8 s PRO 365 CO 0.49 -0.68 0.24 -1.21 -0.33 0.00 0.00 177.00 175.52 1xl8 s GLU 366 N 0.07 4.09 0.30 5.54 2.02 -0.46 -4.86 118.70 125.40 1xl8 s GLU 366 Ca 0.67 0.02 -0.20 0.00 0.02 0.00 0.00 54.97 55.49 1xl8 s GLU 366 Cb -0.49 -3.37 -0.09 0.00 0.10 0.00 0.00 34.13 30.28 1xl8 s GLU 366 CO 0.43 0.37 0.80 -2.00 0.02 0.00 0.00 175.26 174.88 1xl8 s GLU 367 N 0.09 4.24 -0.53 1.61 2.12 -1.26 -1.06 118.70 123.90 1xl8 s GLU 367 Ca 0.15 0.94 -0.14 0.00 0.36 0.00 0.00 54.97 56.27 1xl8 s GLU 367 Cb -0.13 -2.63 0.13 0.00 0.26 0.00 0.00 34.13 31.77 1xl8 s GLU 367 CO 0.03 0.24 0.47 -0.51 -0.54 0.00 0.00 175.26 174.95 1xl8 s LEU 368 N -2.47 6.08 -0.79 2.70 1.43 0.25 -4.95 118.68 120.92 1xl8 s LEU 368 Ca 0.50 -1.85 -0.18 0.00 -1.03 0.00 0.00 54.13 51.58 1xl8 s LEU 368 Cb -0.14 -2.16 0.15 0.00 0.03 0.00 0.00 46.19 44.07 1xl8 s LEU 368 CO 0.19 -0.81 0.90 -0.69 0.23 0.00 0.00 176.35 176.17 1xl8 s VAL 369 N 1.49 4.99 0.68 -1.59 1.01 -1.26 -4.35 120.40 121.37 1xl8 s VAL 369 Ca 0.04 -1.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.23 1xl8 s VAL 369 Cb -0.28 -4.61 0.01 0.00 0.00 0.00 0.00 36.38 31.50 1xl8 s VAL 369 CO 0.02 -1.26 1.23 -0.36 0.00 0.00 0.00 175.10 174.72 1xl8 s PHE 370 N 2.02 2.15 -0.32 5.22 0.40 -1.26 -4.99 117.98 121.19 1xl8 s PHE 370 Ca 0.22 1.55 -0.13 0.00 -0.60 0.00 0.00 56.93 57.97 1xl8 s PHE 370 Cb -0.12 -3.52 -0.02 0.00 0.51 0.00 0.00 43.02 39.86 1xl8 s PHE 370 CO -0.04 -2.57 0.28 0.99 0.70 0.00 0.00 175.22 174.58 1xl8 s THR 371 N -1.76 5.24 0.30 0.64 2.01 -1.26 -5.06 115.64 115.75 1xl8 s THR 371 Ca 0.77 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.79 1xl8 s THR 371 Cb -0.31 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1xl8 s THR 371 CO 0.41 0.02 0.09 0.68 -0.69 0.00 0.00 174.62 175.13 1xl8 s VAL 372 N 1.85 0.80 0.00 3.82 -7.23 -1.26 -4.75 120.40 113.63 1xl8 s VAL 372 Ca 0.09 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1xl8 s VAL 372 Cb -0.17 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1xl8 s VAL 372 CO 0.11 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.00 1xl8 n ASP 373 N -0.64 0.00 0.05 4.85 5.68 -1.26 -5.06 116.55 120.17 1xl8 n ASP 373 Ca -0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.15 1xl8 n ASP 373 Cb 0.66 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.51 1xl8 n ASP 373 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xl8 h GLU 374 N 0.00 0.15 0.68 0.11 4.81 -2.02 -3.29 114.58 115.03 1xl8 h GLU 374 Ca 0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1xl8 h GLU 374 Cb 0.00 0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xl8 h GLU 374 CO 0.00 0.99 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.72 1xl8 h LYS 375 N 0.04 -0.89 -0.83 1.92 3.64 -1.99 -2.63 116.57 115.83 1xl8 h LYS 375 Ca -0.20 0.06 0.17 0.00 -1.27 0.00 0.00 60.65 59.42 1xl8 h LYS 375 Cb 1.96 0.20 -0.16 0.00 -0.41 0.00 0.00 32.23 33.82 1xl8 h LYS 375 CO 0.14 -0.59 -0.17 0.82 -2.27 0.00 0.00 179.45 177.38 1xl8 h ILE 376 N -1.09 0.18 -0.12 2.00 1.08 -1.98 0.88 117.51 118.46 1xl8 h ILE 376 Ca -0.09 -0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1xl8 h ILE 376 Cb 0.70 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1xl8 h ILE 376 CO 0.15 0.00 0.09 -0.07 -0.69 0.00 0.00 178.15 177.64 1xl8 h LEU 377 N 0.01 0.00 -0.09 1.44 3.38 -1.61 0.33 115.31 118.77 1xl8 h LEU 377 Ca 0.41 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.18 1xl8 h LEU 377 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1xl8 h LEU 377 CO -0.84 0.00 -0.71 0.78 0.09 0.00 0.00 178.44 177.77 1xl8 h ASN 378 N 0.00 0.78 -0.77 -0.43 2.35 0.11 -1.56 115.58 116.06 1xl8 h ASN 378 Ca 0.06 -0.67 -0.03 0.00 -0.55 0.00 0.00 56.30 55.11 1xl8 h ASN 378 Cb 0.24 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1xl8 h ASN 378 CO -0.00 1.33 0.36 0.44 -1.65 0.00 0.00 177.43 177.91 1xl8 h ASP 379 N 0.28 1.01 -0.56 5.81 3.32 0.56 0.42 116.42 127.27 1xl8 h ASP 379 Ca -0.06 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1xl8 h ASP 379 Cb 1.36 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1xl8 h ASP 379 CO 0.14 0.87 0.24 0.58 -1.72 0.00 0.00 179.24 179.35 1xl8 h VAL 380 N 1.08 1.22 -0.69 -1.35 2.07 -0.39 0.10 116.25 118.30 1xl8 h VAL 380 Ca 0.26 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1xl8 h VAL 380 Cb 0.13 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1xl8 h VAL 380 CO -0.03 0.26 0.20 -1.28 0.02 0.00 0.00 177.57 176.74 1xl8 h SER 381 N 0.76 1.02 -0.30 0.57 0.87 -0.79 -2.28 113.55 113.41 1xl8 h SER 381 Ca 0.19 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1xl8 h SER 381 Cb 0.18 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1xl8 h SER 381 CO -0.02 0.96 -0.13 -0.61 -0.53 0.00 0.00 176.83 176.51 1xl8 h GLN 382 N 1.02 0.61 -0.40 2.24 4.15 -0.60 -2.78 115.11 119.35 1xl8 h GLN 382 Ca 0.22 -0.26 0.07 0.00 0.77 0.00 0.00 58.65 59.45 1xl8 h GLN 382 Cb 0.32 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 1xl8 h GLN 382 CO -0.00 0.83 0.05 0.00 -1.93 0.00 0.00 178.83 177.78 1xl8 h ALA 383 N 0.76 0.41 -0.19 3.38 0.00 -0.62 -0.53 119.26 122.47 1xl8 h ALA 383 Ca 0.07 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xl8 h ALA 383 Cb 0.64 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1xl8 h ALA 383 CO 0.04 -0.35 0.01 0.87 0.00 0.00 0.00 179.25 179.83 1xl8 h LYS 384 N 0.17 0.08 -0.53 0.00 1.57 -1.39 -1.92 116.57 114.55 1xl8 h LYS 384 Ca 0.20 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1xl8 h LYS 384 Cb 0.25 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1xl8 h LYS 384 CO -0.28 0.05 0.31 0.00 -0.57 0.00 0.00 179.45 178.96 1xl8 h ALA 385 N 1.15 0.68 -0.31 3.86 0.00 -1.11 -0.21 119.26 123.32 1xl8 h ALA 385 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1xl8 h ALA 385 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xl8 h ALA 385 CO -0.13 0.02 -0.33 -0.56 0.00 0.00 0.00 179.25 178.24 1xl8 h GLN 386 N 0.62 0.78 -0.20 0.00 -0.00 -0.96 -0.31 115.11 115.03 1xl8 h GLN 386 Ca 0.22 -0.42 -0.02 0.00 -0.00 0.00 0.00 58.65 58.42 1xl8 h GLN 386 Cb 0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 1xl8 h GLN 386 CO -0.10 1.05 0.04 1.25 -0.00 0.00 0.00 178.83 181.06 1xl8 h HIS 387 N 0.54 0.35 -0.67 0.06 2.76 -1.23 -0.74 115.15 116.22 1xl8 h HIS 387 Ca 0.05 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1xl8 h HIS 387 Cb 0.92 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.75 1xl8 h HIS 387 CO 0.07 0.47 0.14 -0.07 -1.30 0.00 0.00 177.93 177.24 1xl8 h LEU 388 N 0.13 1.04 0.08 0.26 3.38 -1.05 0.33 115.31 119.48 1xl8 h LEU 388 Ca 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xl8 h LEU 388 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xl8 h LEU 388 CO 0.00 1.02 -0.04 0.50 0.09 0.00 0.00 178.44 180.01 1xl8 h LYS 389 N 1.02 -0.11 -0.73 1.13 3.64 -0.95 -2.19 116.57 118.38 1xl8 h LYS 389 Ca 0.21 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1xl8 h LYS 389 Cb 0.40 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1xl8 h LYS 389 CO 0.01 0.14 0.43 0.00 -2.27 0.00 0.00 179.45 177.76 1xl8 h ALA 390 N 0.55 0.93 -0.04 5.00 0.00 -1.05 -2.80 119.26 121.86 1xl8 h ALA 390 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1xl8 h ALA 390 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xl8 h ALA 390 CO 0.02 0.41 -0.21 0.00 0.00 0.00 0.00 179.25 179.47 1xl8 h ALA 391 N 1.23 1.58 0.00 0.00 0.00 -0.86 -2.46 119.26 118.75 1xl8 h ALA 391 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xl8 h ALA 391 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xl8 h ALA 391 CO -0.05 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.17 1xl8 h SER 392 N 0.06 0.00 0.24 0.00 4.64 -1.11 -1.50 113.55 115.88 1xl8 h SER 392 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xl8 h SER 392 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xl8 h SER 392 CO 0.03 0.00 -0.08 -0.67 -0.87 0.00 0.00 176.83 175.24 1xl8 n ASP 393 N -2.75 0.57 -4.77 4.97 2.03 -0.92 -4.86 116.55 110.81 1xl8 n ASP 393 Ca -0.00 -0.80 -0.39 0.00 0.52 0.00 0.00 54.79 54.12 1xl8 n ASP 393 Cb 0.19 -0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 1xl8 n ASP 393 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xl8 s LEU 394 N -2.32 4.49 -0.10 -2.67 2.96 -0.57 -0.98 118.68 119.49 1xl8 s LEU 394 Ca 0.33 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.64 1xl8 s LEU 394 Cb 0.20 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.83 1xl8 s LEU 394 CO 0.44 0.15 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.85 1xl8 s GLN 395 N -0.61 2.49 -0.06 1.98 0.74 -0.34 -4.89 119.66 118.98 1xl8 s GLN 395 Ca 0.33 -0.68 0.06 0.00 0.05 0.00 0.00 55.36 55.12 1xl8 s GLN 395 Cb -0.20 -1.98 -0.01 0.00 1.10 0.00 0.00 33.01 31.92 1xl8 s GLN 395 CO 0.21 0.06 -0.23 0.42 -0.55 0.00 0.00 175.29 175.20 1xl8 s ILE 396 N 0.62 1.93 -0.16 -2.34 -1.09 -1.26 -1.66 121.20 117.25 1xl8 s ILE 396 Ca -0.14 -1.00 -0.00 0.00 -2.23 0.00 0.00 60.65 57.28 1xl8 s ILE 396 Cb -0.16 -1.64 0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1xl8 s ILE 396 CO 0.04 0.54 -0.07 0.00 -1.23 0.00 0.00 174.94 174.22 1xl8 s ALA 397 N -0.09 1.55 -0.05 9.38 0.00 0.42 -4.93 121.76 128.03 1xl8 s ALA 397 Ca -0.05 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1xl8 s ALA 397 Cb -0.14 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 1xl8 s ALA 397 CO 0.04 -0.70 -0.18 0.00 0.00 0.00 0.00 175.76 174.91 1xl8 s ALA 398 N 1.60 1.63 0.22 0.00 0.00 -1.26 0.00 121.76 123.96 1xl8 s ALA 398 Ca 0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 1xl8 s ALA 398 Cb -0.15 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1xl8 s ALA 398 CO -0.08 0.28 0.49 -1.12 0.00 0.00 0.00 175.76 175.33 1xl8 s SER 399 N 0.08 -0.15 -0.10 0.00 0.01 -0.84 -4.70 113.70 108.00 1xl8 s SER 399 Ca -0.06 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.53 1xl8 s SER 399 Cb -0.13 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1xl8 s SER 399 CO 0.03 -1.09 -0.22 -0.89 0.41 0.00 0.00 173.24 171.48 1xl8 s THR 400 N -3.94 1.93 -0.23 1.44 2.01 -1.26 -1.17 115.64 114.42 1xl8 s THR 400 Ca 0.15 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.14 1xl8 s THR 400 Cb -0.01 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1xl8 s THR 400 CO 0.03 0.53 0.08 0.12 -0.69 0.00 0.00 174.62 174.69 1xl8 s PHE 401 N 0.42 3.16 -0.42 4.92 5.36 0.21 -4.96 117.98 126.67 1xl8 s PHE 401 Ca -0.18 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.65 1xl8 s PHE 401 Cb -0.18 -2.19 0.12 0.00 -0.34 0.00 0.00 43.02 40.44 1xl8 s PHE 401 CO 0.07 -0.14 0.19 0.95 -1.46 0.00 0.00 175.22 174.84 1xl8 s THR 402 N 1.14 1.67 -0.21 0.12 -4.23 -1.26 -0.78 115.64 112.09 1xl8 s THR 402 Ca 0.05 -2.46 -0.00 0.00 -1.18 0.00 0.00 61.69 58.09 1xl8 s THR 402 Cb -0.14 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1xl8 s THR 402 CO 0.04 -0.79 0.01 0.18 -0.54 0.00 0.00 174.62 173.51 1xl8 n LEU 414 N 3.80 -6.06 -4.62 4.79 4.77 -1.26 -4.99 117.00 113.44 1xl8 n LEU 414 Ca 0.05 1.01 -0.47 0.00 -0.03 0.00 0.00 56.01 56.57 1xl8 n LEU 414 Cb 0.36 -2.61 -0.04 0.00 -2.33 0.00 0.00 43.42 38.81 1xl8 n LEU 414 CO 0.24 -2.23 0.86 1.57 -1.33 0.00 0.00 177.39 176.50 1xl8 n HIS 415 N 0.51 1.68 -0.30 -1.77 -0.00 -1.26 -4.81 115.22 109.27 1xl8 n HIS 415 Ca -0.01 0.57 0.02 0.00 -0.00 0.00 0.00 57.72 58.30 1xl8 n HIS 415 Cb 0.02 -2.36 0.16 0.00 -0.00 0.00 0.00 29.99 27.81 1xl8 n HIS 415 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1xl8 h PRO 416 N 3.87 0.81 -0.16 1.57 0.11 -2.04 -0.21 132.00 135.95 1xl8 h PRO 416 Ca -0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1xl8 h PRO 416 Cb 1.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xl8 h PRO 416 CO 0.73 0.54 0.03 0.22 -0.21 0.00 0.00 178.00 179.31 1xl8 h ASP 417 N 0.84 0.25 -0.93 -2.05 3.58 -1.99 -1.02 116.42 115.08 1xl8 h ASP 417 Ca 0.39 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1xl8 h ASP 417 Cb 0.31 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 1xl8 h ASP 417 CO -0.23 0.44 0.55 0.74 -2.88 0.00 0.00 179.24 177.86 1xl8 h THR 418 N 0.05 1.26 -0.48 2.25 2.02 -1.87 -0.34 112.91 115.80 1xl8 h THR 418 Ca 0.05 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1xl8 h THR 418 Cb 0.29 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1xl8 h THR 418 CO 0.00 0.28 0.27 0.15 0.37 0.00 0.00 175.52 176.59 1xl8 h PHE 419 N 1.29 0.50 -0.39 3.16 3.57 -0.75 -1.25 116.94 123.07 1xl8 h PHE 419 Ca 0.33 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.69 1xl8 h PHE 419 Cb -0.04 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1xl8 h PHE 419 CO 0.01 0.27 -0.37 0.82 -2.23 0.00 0.00 178.31 176.81 1xl8 h ILE 420 N 0.53 1.27 -0.51 1.41 2.04 -0.67 -1.67 117.51 119.91 1xl8 h ILE 420 Ca 0.20 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1xl8 h ILE 420 Cb 0.05 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1xl8 h ILE 420 CO -0.11 0.52 0.28 1.56 0.00 0.00 0.00 178.15 180.40 1xl8 h GLN 421 N 0.77 0.72 -0.26 2.37 1.08 -0.76 -0.23 115.11 118.80 1xl8 h GLN 421 Ca 0.07 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 1xl8 h GLN 421 Cb 0.96 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1xl8 h GLN 421 CO 0.09 0.57 -0.44 -0.07 -0.95 0.00 0.00 178.83 178.03 1xl8 h LEU 422 N 0.68 0.70 -1.23 1.46 3.38 -1.23 -1.73 115.31 117.34 1xl8 h LEU 422 Ca 0.18 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1xl8 h LEU 422 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1xl8 h LEU 422 CO -0.03 1.04 0.15 0.00 0.09 0.00 0.00 178.44 179.69 1xl8 h ALA 423 N 0.98 1.39 -0.31 1.53 0.00 -1.00 -0.59 119.26 121.27 1xl8 h ALA 423 Ca 0.04 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1xl8 h ALA 423 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1xl8 h ALA 423 CO 0.09 0.45 -0.44 1.25 0.00 0.00 0.00 179.25 180.60 1xl8 h LEU 424 N 0.67 0.85 -0.04 0.00 5.85 -0.71 -0.22 115.31 121.71 1xl8 h LEU 424 Ca 0.16 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1xl8 h LEU 424 Cb 0.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1xl8 h LEU 424 CO -0.01 1.17 -0.01 1.56 -0.34 0.00 0.00 178.44 180.81 1xl8 h GLN 425 N 0.63 0.00 -0.61 1.25 1.08 -0.41 0.16 115.11 117.21 1xl8 h GLN 425 Ca 0.04 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1xl8 h GLN 425 Cb 1.01 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.41 1xl8 h GLN 425 CO 0.10 0.00 0.24 1.25 -0.95 0.00 0.00 178.83 179.46 1xl8 h LEU 426 N 0.00 0.85 -0.24 1.46 5.85 -1.05 -0.37 115.31 121.81 1xl8 h LEU 426 Ca 0.02 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1xl8 h LEU 426 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1xl8 h LEU 426 CO -0.04 0.79 0.16 0.00 -0.34 0.00 0.00 178.44 179.02 1xl8 h ALA 427 N 1.09 0.31 -0.38 1.25 0.00 -0.72 0.53 119.26 121.33 1xl8 h ALA 427 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1xl8 h ALA 427 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xl8 h ALA 427 CO -0.02 -0.22 0.02 -0.92 0.00 0.00 0.00 179.25 178.12 1xl8 h TYR 428 N 0.33 0.70 -0.88 0.00 5.03 -0.84 -0.57 116.97 120.74 1xl8 h TYR 428 Ca 0.09 -0.11 0.07 0.00 2.58 0.00 0.00 58.73 61.35 1xl8 h TYR 428 Cb -0.04 -0.19 -0.06 0.00 1.55 0.00 0.00 36.73 37.99 1xl8 h TYR 428 CO -0.06 0.72 0.55 -0.92 -1.32 0.00 0.00 178.16 177.13 1xl8 h TYR 429 N 0.48 1.01 -0.20 -3.82 5.03 -0.78 0.19 116.97 118.88 1xl8 h TYR 429 Ca 0.11 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.25 1xl8 h TYR 429 Cb 0.43 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.39 1xl8 h TYR 429 CO 0.03 0.51 -0.68 0.00 -1.32 0.00 0.00 178.16 176.70 1xl8 h ARG 430 N 0.99 0.76 0.00 1.82 3.08 -0.68 0.19 114.38 120.54 1xl8 h ARG 430 Ca 0.39 -0.56 -0.26 0.00 0.07 0.00 0.00 59.98 59.62 1xl8 h ARG 430 Cb 0.20 0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.36 1xl8 h ARG 430 CO -0.18 1.18 -1.03 1.25 -1.07 0.00 0.00 179.97 180.12 1xl8 h LEU 431 N 0.55 0.83 -1.47 3.04 5.85 -0.60 -3.35 115.31 120.16 1xl8 h LEU 431 Ca -0.02 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1xl8 h LEU 431 Cb 1.28 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1xl8 h LEU 431 CO 0.14 1.47 0.00 1.41 -0.34 0.00 0.00 178.44 181.12 1xl8 n HIS 432 N -3.83 0.00 -1.37 1.25 8.25 0.62 -5.00 115.22 115.15 1xl8 n HIS 432 Ca -0.10 -0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.23 1xl8 n HIS 432 Cb 0.88 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.93 1xl8 n HIS 432 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xl8 n GLY 433 N 0.67 1.25 3.26 -1.41 0.00 0.65 -4.96 105.19 104.65 1xl8 n GLY 433 Ca 0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1xl8 n GLY 433 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xl8 s ARG 434 N -2.99 0.72 0.27 1.61 1.70 -1.22 -5.01 118.95 114.03 1xl8 s ARG 434 Ca 0.00 -0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 54.73 1xl8 s ARG 434 Cb 0.00 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.58 1xl8 s ARG 434 CO 0.00 -0.21 1.62 -2.14 -1.08 0.00 0.00 175.30 173.49 1xl8 s PRO 435 N -1.55 4.13 -0.34 3.89 0.02 -1.26 -4.05 135.00 135.84 1xl8 s PRO 435 Ca -0.12 2.57 -0.14 0.00 0.02 0.00 0.00 61.00 63.33 1xl8 s PRO 435 Cb -0.04 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 1xl8 s PRO 435 CO 0.03 -0.65 0.31 0.20 -0.33 0.00 0.00 177.00 176.56 1xl8 s GLY 436 N 0.67 1.93 0.10 0.52 0.00 -1.26 -5.02 107.32 104.25 1xl8 s GLY 436 Ca 0.66 -1.28 -0.31 0.00 0.00 0.00 0.00 44.72 43.79 1xl8 s GLY 436 CO 0.44 0.90 1.78 0.00 0.00 0.00 0.00 173.10 176.22 1xl8 s TYR 439 N -0.57 3.05 -0.09 0.00 6.14 0.39 -3.19 117.35 123.07 1xl8 s TYR 439 Ca 0.09 -0.47 0.03 0.00 0.64 0.00 0.00 57.07 57.35 1xl8 s TYR 439 Cb -0.10 -2.11 0.01 0.00 0.42 0.00 0.00 41.96 40.18 1xl8 s TYR 439 CO -0.01 -0.27 -0.17 -2.00 0.64 0.00 0.00 175.55 173.74 1xl8 s GLU 440 N 1.11 2.36 0.36 4.97 2.12 -0.09 -0.66 118.70 128.86 1xl8 s GLU 440 Ca 0.03 -0.63 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1xl8 s GLU 440 Cb -0.14 -1.90 -0.09 0.00 0.26 0.00 0.00 34.13 32.26 1xl8 s GLU 440 CO 0.02 0.05 1.25 0.99 -0.54 0.00 0.00 175.26 177.03 1xl8 s THR 441 N 0.67 2.86 0.00 -1.70 2.01 -1.03 -0.76 115.64 117.69 1xl8 s THR 441 Ca -0.13 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1xl8 s THR 441 Cb -0.16 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1xl8 s THR 441 CO 0.03 0.15 0.00 0.00 -0.69 0.00 0.00 174.62 174.12 1xl8 n ALA 442 N 0.52 0.00 -2.39 7.40 0.00 -0.06 -4.77 120.51 121.22 1xl8 n ALA 442 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1xl8 n ALA 442 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.92 1xl8 n ALA 442 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xl8 n THR 444 N 0.00 0.00 0.87 0.00 -2.24 -0.82 0.47 114.28 112.56 1xl8 n THR 444 Ca 0.00 -0.26 0.07 0.00 -2.27 0.00 0.00 64.05 61.58 1xl8 n THR 444 Cb 0.00 0.57 0.41 0.00 -2.10 0.00 0.00 70.33 69.21 1xl8 n THR 444 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xl8 n ARG 445 N -0.41 0.44 0.26 -0.78 1.74 -1.25 -2.28 116.66 114.37 1xl8 n ARG 445 Ca -0.06 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.15 1xl8 n ARG 445 Cb 0.58 -1.50 0.70 0.00 -1.02 0.00 0.00 32.46 31.23 1xl8 n ARG 445 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1xl8 h TYR 446 N 0.00 0.00 -2.18 -1.55 0.05 -1.87 0.17 116.97 111.58 1xl8 h TYR 446 Ca 0.00 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.28 1xl8 h TYR 446 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1xl8 h TYR 446 CO 0.00 0.12 -0.51 -0.06 -1.05 0.00 0.00 178.16 176.67 1xl8 s PHE 447 N -4.04 3.16 -0.02 4.88 0.08 -0.97 -4.28 117.98 116.80 1xl8 s PHE 447 Ca -0.02 -0.10 -0.35 0.00 0.12 0.00 0.00 56.93 56.58 1xl8 s PHE 447 Cb 0.12 -1.44 -0.13 0.00 -0.57 0.00 0.00 43.02 41.00 1xl8 s PHE 447 CO 0.58 0.50 1.73 0.98 -0.10 0.00 0.00 175.22 178.91 1xl8 n TYR 448 N -1.23 2.22 -2.12 0.36 4.19 -0.26 -0.70 117.16 119.62 1xl8 n TYR 448 Ca -0.08 0.18 -0.11 0.00 3.31 0.00 0.00 57.90 61.20 1xl8 n TYR 448 Cb 0.58 -2.58 -0.02 0.00 0.49 0.00 0.00 39.34 37.81 1xl8 n TYR 448 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1xl8 n HIS 449 N 5.20 -1.18 -2.07 2.98 8.25 -1.26 -4.65 115.22 122.48 1xl8 n HIS 449 Ca 0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1xl8 n HIS 449 Cb 0.27 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.84 1xl8 n HIS 449 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xl8 s GLY 450 N -2.00 1.97 0.00 -1.41 0.00 0.12 -4.91 107.32 101.10 1xl8 s GLY 450 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1xl8 s GLY 450 CO 0.00 2.39 0.00 0.54 0.00 0.00 0.00 173.10 176.03 1xl8 n ARG 451 N 3.48 0.00 -4.15 2.90 1.74 -1.26 -3.96 116.66 115.41 1xl8 n ARG 451 Ca 0.11 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.08 1xl8 n ARG 451 Cb 0.41 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.75 1xl8 n ARG 451 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1xl8 s THR 452 N 0.00 0.05 0.04 0.55 -4.23 -1.26 -1.95 115.64 108.84 1xl8 s THR 452 Ca 0.00 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1xl8 s THR 452 Cb 0.00 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 1xl8 s THR 452 CO 0.00 -0.22 0.03 -0.70 -0.54 0.00 0.00 174.62 173.19 1xl8 s GLU 453 N -4.09 0.55 -0.06 3.99 2.56 0.18 -4.84 118.70 116.99 1xl8 s GLU 453 Ca 0.30 -0.91 -0.17 0.00 0.00 0.00 0.00 54.97 54.19 1xl8 s GLU 453 Cb 0.07 0.20 -0.05 0.00 2.00 0.00 0.00 34.13 36.35 1xl8 s GLU 453 CO 0.07 -0.12 0.47 0.99 -0.56 0.00 0.00 175.26 176.11 1xl8 s THR 454 N -2.93 5.09 -0.21 -1.70 2.01 -1.26 -0.88 115.64 115.76 1xl8 s THR 454 Ca -0.02 0.96 -0.02 0.00 0.31 0.00 0.00 61.69 62.91 1xl8 s THR 454 Cb 0.01 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 1xl8 s THR 454 CO -0.06 0.42 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.52 1xl8 s VAL 455 N -0.06 3.02 -0.78 3.82 1.01 0.06 -4.73 120.40 122.74 1xl8 s VAL 455 Ca 0.26 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1xl8 s VAL 455 Cb -0.16 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.01 1xl8 s VAL 455 CO 0.12 0.46 0.89 -0.13 0.00 0.00 0.00 175.10 176.44 1xl8 s ARG 456 N 1.41 3.39 0.57 2.72 0.52 -1.26 -0.92 118.95 125.39 1xl8 s ARG 456 Ca 0.05 -1.74 0.27 0.00 -0.52 0.00 0.00 55.73 53.79 1xl8 s ARG 456 Cb -0.14 -4.55 1.68 0.00 0.52 0.00 0.00 34.95 32.46 1xl8 s ARG 456 CO -0.06 -1.58 2.21 0.77 0.02 0.00 0.00 175.30 176.66 1xl8 h SER 457 N 8.73 0.00 -0.71 0.23 0.02 -1.93 -3.36 113.55 116.54 1xl8 h SER 457 Ca -0.03 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.22 1xl8 h SER 457 Cb 1.05 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.51 1xl8 h SER 457 CO 1.02 0.02 2.46 0.00 -1.14 0.00 0.00 176.83 179.19 1xl8 s THR 459 N 3.30 2.85 0.17 0.00 -4.23 -1.26 -4.84 115.64 111.63 1xl8 s THR 459 Ca 0.49 -0.63 -0.14 0.00 -1.18 0.00 0.00 61.69 60.23 1xl8 s THR 459 Cb 0.07 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.90 1xl8 s THR 459 CO 0.00 -0.05 1.79 0.58 -0.54 0.00 0.00 174.62 176.41 1xl8 h VAL 460 N 0.11 1.16 -0.40 2.29 2.07 -1.92 -1.98 116.25 117.58 1xl8 h VAL 460 Ca -0.43 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1xl8 h VAL 460 Cb 1.29 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1xl8 h VAL 460 CO 0.53 0.17 0.17 -0.33 0.02 0.00 0.00 177.57 178.13 1xl8 h GLU 461 N 0.69 0.34 -0.65 1.57 3.07 -1.95 -0.19 114.58 117.46 1xl8 h GLU 461 Ca 0.18 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1xl8 h GLU 461 Cb 0.01 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 1xl8 h GLU 461 CO -0.03 0.22 0.43 0.00 -1.40 0.00 0.00 179.01 178.23 1xl8 h ALA 462 N 1.23 0.83 -0.29 3.43 0.00 -1.80 -1.37 119.26 121.30 1xl8 h ALA 462 Ca 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1xl8 h ALA 462 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xl8 h ALA 462 CO -0.16 0.25 -0.08 0.28 0.00 0.00 0.00 179.25 179.55 1xl8 h VAL 463 N 0.88 1.28 -1.00 0.00 2.07 -0.93 -0.48 116.25 118.07 1xl8 h VAL 463 Ca 0.24 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1xl8 h VAL 463 Cb -0.09 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1xl8 h VAL 463 CO -0.06 0.35 0.66 0.03 0.02 0.00 0.00 177.57 178.58 1xl8 h ARG 464 N 0.31 1.30 -0.34 1.57 3.08 -0.88 -0.29 114.38 119.14 1xl8 h ARG 464 Ca 0.07 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1xl8 h ARG 464 Cb 0.56 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1xl8 h ARG 464 CO 0.03 0.86 0.09 2.35 -1.07 0.00 0.00 179.97 182.23 1xl8 h TRP 465 N 1.34 0.56 -0.44 3.04 7.01 -1.07 -2.07 115.95 124.32 1xl8 h TRP 465 Ca 0.37 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.35 1xl8 h TRP 465 Cb -0.13 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.73 1xl8 h TRP 465 CO -0.00 0.57 0.20 0.00 -2.79 0.00 0.00 178.44 176.42 1xl8 h GLN 467 N 0.40 0.53 -1.97 0.00 4.20 -0.91 -2.47 115.11 114.89 1xl8 h GLN 467 Ca 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1xl8 h GLN 467 Cb 0.13 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1xl8 h GLN 467 CO -0.16 0.35 0.00 -1.13 -0.67 0.00 0.00 178.83 177.22 1xl8 n SER 468 N -4.84 0.52 0.00 1.46 3.41 -0.79 -0.89 113.62 112.48 1xl8 n SER 468 Ca 0.03 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1xl8 n SER 468 Cb 0.09 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1xl8 n SER 468 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xl8 n GLN 470 N 1.70 0.00 -3.20 4.33 1.13 -0.93 -4.71 117.38 115.69 1xl8 n GLN 470 Ca 0.00 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.62 1xl8 n GLN 470 Cb 0.05 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.34 1xl8 n GLN 470 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1xl8 s ASP 471 N 0.00 6.20 0.38 1.08 2.15 -0.07 -4.96 116.67 121.45 1xl8 s ASP 471 Ca 0.00 -1.06 0.14 0.00 0.43 0.00 0.00 52.55 52.05 1xl8 s ASP 471 Cb 0.00 -2.27 0.97 0.00 -0.30 0.00 0.00 42.92 41.32 1xl8 s ASP 471 CO 0.00 -0.86 1.82 -0.65 -0.17 0.00 0.00 175.17 175.31 1xl8 h PRO 472 N 8.96 0.52 -0.00 4.34 0.11 -1.90 0.58 132.00 144.61 1xl8 h PRO 472 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xl8 h PRO 472 Cb 1.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1xl8 h PRO 472 CO 0.96 0.34 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.90 1xl8 n SER 473 N -4.61 0.17 -4.75 -2.05 3.41 -1.26 -4.87 113.62 99.67 1xl8 n SER 473 Ca 0.21 -0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1xl8 n SER 473 Cb 0.68 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1xl8 n SER 473 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xl8 s ALA 474 N -2.61 3.46 0.59 7.33 0.00 0.19 -5.03 121.76 125.69 1xl8 s ALA 474 Ca 0.26 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 1xl8 s ALA 474 Cb 0.20 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1xl8 s ALA 474 CO 0.48 -0.39 0.90 -1.54 0.00 0.00 0.00 175.76 175.21 1xl8 s SER 475 N -0.21 5.59 0.20 0.00 1.04 -1.26 -4.95 113.70 114.11 1xl8 s SER 475 Ca 0.51 0.72 -0.08 0.00 0.48 0.00 0.00 55.95 57.58 1xl8 s SER 475 Cb -0.34 -1.71 0.12 0.00 0.10 0.00 0.00 66.02 64.18 1xl8 s SER 475 CO 0.41 -1.06 1.66 -0.07 0.98 0.00 0.00 173.24 175.16 1xl8 h LEU 476 N -0.18 1.00 -1.29 2.42 3.38 -1.99 -1.91 115.31 116.74 1xl8 h LEU 476 Ca -0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 1xl8 h LEU 476 Cb 1.26 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1xl8 h LEU 476 CO 0.61 1.06 0.29 0.25 0.09 0.00 0.00 178.44 180.74 1xl8 h LEU 477 N 0.94 0.70 -0.03 1.67 5.85 -1.97 -1.41 115.31 121.05 1xl8 h LEU 477 Ca 0.17 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xl8 h LEU 477 Cb 0.55 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1xl8 h LEU 477 CO 0.03 0.58 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.60 1xl8 h GLU 478 N 0.79 0.07 -0.19 1.25 4.81 -1.86 -1.56 114.58 117.88 1xl8 h GLU 478 Ca 0.20 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1xl8 h GLU 478 Cb 0.04 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1xl8 h GLU 478 CO -0.03 0.51 0.02 0.00 -0.73 0.00 0.00 179.01 178.78 1xl8 h ARG 479 N -0.36 0.09 -0.47 1.92 3.08 -1.07 -0.24 114.38 117.33 1xl8 h ARG 479 Ca 0.01 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1xl8 h ARG 479 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1xl8 h ARG 479 CO 0.01 0.06 -0.20 0.37 -1.07 0.00 0.00 179.97 179.13 1xl8 h GLN 480 N 0.09 0.96 -0.50 0.04 4.15 -1.33 -3.04 115.11 115.48 1xl8 h GLN 480 Ca 0.09 -0.41 0.03 0.00 0.77 0.00 0.00 58.65 59.13 1xl8 h GLN 480 Cb 0.09 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 1xl8 h GLN 480 CO -0.13 1.08 0.29 0.37 -1.93 0.00 0.00 178.83 178.51 1xl8 h GLN 481 N 0.81 0.55 -1.58 1.69 5.75 -1.04 0.71 115.11 122.00 1xl8 h GLN 481 Ca 0.11 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1xl8 h GLN 481 Cb 0.78 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1xl8 h GLN 481 CO 0.06 0.37 0.00 1.63 -2.65 0.00 0.00 178.83 178.24 1xl8 n LYS 482 N -4.82 0.62 0.00 1.69 5.02 -0.12 -2.10 118.16 118.44 1xl8 n LYS 482 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1xl8 n LYS 482 Cb 0.09 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1xl8 n LYS 482 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xl8 n LEU 484 N 1.02 0.00 0.10 -0.35 4.77 0.24 -1.56 117.00 121.22 1xl8 n LEU 484 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1xl8 n LEU 484 Cb 0.31 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.76 1xl8 n LEU 484 CO 0.00 0.00 0.87 -0.33 -1.33 0.00 0.00 177.39 176.60 1xl8 h GLU 485 N 0.00 0.28 -0.20 3.23 5.08 -1.67 -0.88 114.58 120.42 1xl8 h GLU 485 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1xl8 h GLU 485 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xl8 h GLU 485 CO 0.00 0.42 0.02 0.00 -1.00 0.00 0.00 179.01 178.45 1xl8 h ALA 486 N 1.60 0.27 -0.13 3.43 0.00 -1.55 -1.91 119.26 120.97 1xl8 h ALA 486 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xl8 h ALA 486 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xl8 h ALA 486 CO 0.02 -0.03 -0.08 0.74 0.00 0.00 0.00 179.25 179.90 1xl8 h PHE 487 N 0.13 -0.19 -0.75 0.00 -1.00 -1.67 -0.86 116.94 112.59 1xl8 h PHE 487 Ca 0.06 0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.93 1xl8 h PHE 487 Cb 0.36 0.10 -0.06 0.00 3.61 0.00 0.00 35.95 39.96 1xl8 h PHE 487 CO 0.03 -0.12 0.42 0.00 -1.61 0.00 0.00 178.31 177.03 1xl8 h ALA 488 N 1.03 1.04 -0.34 2.45 0.00 -1.10 0.17 119.26 122.52 1xl8 h ALA 488 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xl8 h ALA 488 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xl8 h ALA 488 CO -0.18 0.08 0.08 -0.22 0.00 0.00 0.00 179.25 179.01 1xl8 h LYS 489 N 0.75 0.54 -0.41 0.00 1.63 -0.95 -2.24 116.57 115.89 1xl8 h LYS 489 Ca 0.35 -0.13 -0.11 0.00 -0.85 0.00 0.00 60.65 59.91 1xl8 h LYS 489 Cb 0.27 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1xl8 h LYS 489 CO -0.22 0.60 -0.18 1.25 -3.45 0.00 0.00 179.45 177.46 1xl8 h HIS 490 N 0.39 0.96 -0.19 1.91 2.76 -0.60 -3.12 115.15 117.26 1xl8 h HIS 490 Ca 0.11 -0.23 0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1xl8 h HIS 490 Cb 0.31 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 1xl8 h HIS 490 CO 0.02 0.99 0.08 -0.91 -1.30 0.00 0.00 177.93 176.81 1xl8 h ASN 491 N 0.65 0.10 -0.01 3.26 2.35 -0.67 -3.41 115.58 117.86 1xl8 h ASN 491 Ca 0.09 0.01 -0.48 0.00 -0.55 0.00 0.00 56.30 55.38 1xl8 h ASN 491 Cb 0.73 -0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.22 1xl8 h ASN 491 CO 0.06 0.09 1.16 1.17 -1.65 0.00 0.00 177.43 178.25 1xl8 n LYS 492 N -5.03 0.01 0.00 0.81 3.00 -0.85 -4.64 118.16 111.47 1xl8 n LYS 492 Ca -0.03 -1.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.28 1xl8 n LYS 492 Cb 0.06 -2.54 0.00 0.00 0.00 0.00 0.00 35.03 32.56 1xl8 n LYS 492 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1xl8 n LYS 495 N 7.66 0.00 -0.13 1.64 4.81 -1.26 -4.57 118.16 126.31 1xl8 n LYS 495 Ca 0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.79 1xl8 n LYS 495 Cb 0.41 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.48 1xl8 n LYS 495 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1xl8 h ASP 496 N 0.00 0.42 -0.61 3.14 5.19 -1.95 -1.82 116.42 120.79 1xl8 h ASP 496 Ca 0.00 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xl8 h ASP 496 Cb 0.00 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 1xl8 h ASP 496 CO 0.00 0.30 0.38 0.00 -3.12 0.00 0.00 179.24 176.80 1xl8 h SER 498 N 0.82 0.00 -0.36 0.00 4.64 -1.84 -1.80 113.55 115.01 1xl8 h SER 498 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1xl8 h SER 498 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1xl8 h SER 498 CO -0.04 0.20 0.00 1.41 -0.87 0.00 0.00 176.83 177.53 1xl8 n HIS 499 N -3.56 0.58 -1.33 4.77 -0.00 -0.66 -4.43 115.22 110.59 1xl8 n HIS 499 Ca -0.01 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.72 57.41 1xl8 n HIS 499 Cb 0.35 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.99 30.28 1xl8 n HIS 499 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xl8 n GLY 500 N 0.97 0.53 0.94 -1.41 0.00 -0.68 -4.93 105.19 100.61 1xl8 n GLY 500 Ca 0.13 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.33 1xl8 n GLY 500 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xl8 n LYS 501 N -2.51 3.10 -1.46 1.61 5.02 0.13 -4.45 118.16 119.61 1xl8 n LYS 501 Ca -0.03 -2.56 -0.28 0.00 -2.02 0.00 0.00 58.31 53.42 1xl8 n LYS 501 Cb 0.21 -1.65 0.21 0.00 -0.02 0.00 0.00 35.03 33.78 1xl8 n LYS 501 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xl8 n GLY 502 N 0.20 -1.99 0.00 0.72 0.00 -1.24 -4.68 105.19 98.19 1xl8 n GLY 502 Ca 0.19 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1xl8 n GLY 502 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xl8 n PHE 503 N -4.11 0.00 0.01 1.61 1.16 -1.26 -4.71 117.46 110.16 1xl8 n PHE 503 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 1xl8 n PHE 503 Cb 0.54 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.37 1xl8 n PHE 503 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 1xl8 h ASP 504 N 0.00 -0.19 -0.09 5.98 3.32 -1.95 -0.75 116.42 122.73 1xl8 h ASP 504 Ca 0.00 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1xl8 h ASP 504 Cb 0.00 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1xl8 h ASP 504 CO 0.00 -0.09 -0.16 0.03 -1.72 0.00 0.00 179.24 177.31 1xl8 h ARG 505 N -0.07 0.46 -0.02 3.56 2.47 -1.94 -2.44 114.38 116.40 1xl8 h ARG 505 Ca 0.05 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1xl8 h ARG 505 Cb 0.15 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1xl8 h ARG 505 CO -0.12 0.61 -0.02 1.25 0.56 0.00 0.00 179.97 182.25 1xl8 h HIS 506 N 0.42 -0.04 -0.40 3.04 2.76 -1.70 -0.42 115.15 118.81 1xl8 h HIS 506 Ca 0.08 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 1xl8 h HIS 506 Cb 0.52 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1xl8 h HIS 506 CO 0.02 -0.03 0.02 -0.07 -1.30 0.00 0.00 177.93 176.57 1xl8 h LEU 507 N -0.02 0.60 -0.46 0.26 3.38 -0.99 -2.05 115.31 116.03 1xl8 h LEU 507 Ca 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xl8 h LEU 507 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xl8 h LEU 507 CO -0.04 0.66 0.29 0.25 0.09 0.00 0.00 178.44 179.69 1xl8 h LEU 508 N 0.61 0.55 -0.68 1.67 5.85 -0.96 -1.63 115.31 120.71 1xl8 h LEU 508 Ca 0.13 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1xl8 h LEU 508 Cb 0.35 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1xl8 h LEU 508 CO 0.01 0.43 0.41 1.23 -0.34 0.00 0.00 178.44 180.17 1xl8 h GLY 509 N 0.62 0.99 0.95 3.75 0.00 -0.41 0.17 103.07 109.13 1xl8 h GLY 509 Ca 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xl8 h GLY 509 CO -0.03 0.22 0.13 1.41 0.00 0.00 0.00 176.54 178.27 1xl8 h LEU 510 N 0.77 0.29 -0.85 3.11 3.38 -1.05 0.13 115.31 121.09 1xl8 h LEU 510 Ca 0.29 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1xl8 h LEU 510 Cb 0.09 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1xl8 h LEU 510 CO -0.14 0.29 0.55 0.25 0.09 0.00 0.00 178.44 179.48 1xl8 h LEU 511 N 0.26 0.94 -1.07 1.67 5.85 -0.83 -1.79 115.31 120.34 1xl8 h LEU 511 Ca 0.08 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1xl8 h LEU 511 Cb 0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1xl8 h LEU 511 CO -0.01 0.66 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.42 1xl8 h LEU 512 N 1.10 0.00 -0.33 2.25 3.38 -0.21 -1.71 115.31 119.79 1xl8 h LEU 512 Ca 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 1xl8 h LEU 512 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xl8 h LEU 512 CO -0.09 0.26 -0.28 0.40 0.09 0.00 0.00 178.44 178.82 1xl8 h ILE 513 N 0.00 1.29 0.49 1.22 1.08 0.08 -1.75 117.51 119.92 1xl8 h ILE 513 Ca -0.00 -1.44 -0.02 0.00 -0.39 0.00 0.00 64.86 63.01 1xl8 h ILE 513 Cb 0.78 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 1xl8 h ILE 513 CO 0.03 0.47 -0.24 0.00 -0.69 0.00 0.00 178.15 177.73 1xl8 h ALA 514 N 0.75 -0.66 -0.47 1.87 0.00 -1.11 -3.06 119.26 116.57 1xl8 h ALA 514 Ca 0.06 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xl8 h ALA 514 Cb 0.85 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1xl8 h ALA 514 CO 0.07 -0.78 0.09 0.87 0.00 0.00 0.00 179.25 179.51 1xl8 h LYS 515 N -0.84 0.22 -0.01 0.00 1.57 -1.36 -0.74 116.57 115.42 1xl8 h LYS 515 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xl8 h LYS 515 Cb 0.58 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1xl8 h LYS 515 CO 0.11 0.15 0.03 1.49 -0.57 0.00 0.00 179.45 180.65 1xl8 h GLU 516 N 0.23 0.00 -0.37 3.15 4.81 -1.32 0.12 114.58 121.19 1xl8 h GLU 516 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1xl8 h GLU 516 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xl8 h GLU 516 CO -0.31 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.36 1xl8 n GLU 517 N -3.24 2.34 -1.14 1.92 1.02 -0.48 -4.96 120.64 116.10 1xl8 n GLU 517 Ca -0.03 -2.09 -0.05 0.00 -0.02 0.00 0.00 57.16 54.97 1xl8 n GLU 517 Cb 0.10 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1xl8 n GLU 517 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xl8 n GLY 518 N 1.07 0.74 3.85 0.62 0.00 0.03 -5.01 105.19 106.49 1xl8 n GLY 518 Ca 0.16 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1xl8 n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl8 s LEU 519 N -1.13 4.01 0.74 0.99 1.43 -0.41 -4.99 118.68 119.32 1xl8 s LEU 519 Ca 0.00 1.24 -0.15 0.00 -1.03 0.00 0.00 54.13 54.19 1xl8 s LEU 519 Cb 0.00 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.19 1xl8 s LEU 519 CO 0.00 -0.25 1.12 -0.81 0.23 0.00 0.00 176.35 176.63 1xl8 n PRO 520 N -0.59 0.50 -2.33 1.29 -0.04 -1.26 -4.11 135.00 128.46 1xl8 n PRO 520 Ca 0.03 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 1xl8 n PRO 520 Cb 0.53 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 1xl8 n PRO 520 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xl8 s VAL 521 N -1.85 4.01 0.49 0.52 1.01 -1.26 -4.85 120.40 118.46 1xl8 s VAL 521 Ca 0.75 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.82 1xl8 s VAL 521 Cb -0.33 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1xl8 s VAL 521 CO 0.49 -0.04 1.31 -2.65 0.00 0.00 0.00 175.10 174.20 1xl8 n PRO 522 N 5.82 1.83 -0.08 2.72 -0.02 -1.26 -4.87 135.00 139.14 1xl8 n PRO 522 Ca 0.13 0.66 0.20 0.00 -2.02 0.00 0.00 63.50 62.47 1xl8 n PRO 522 Cb 0.45 -2.48 0.64 0.00 -0.02 0.00 0.00 33.50 32.08 1xl8 n PRO 522 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xl8 h GLU 523 N 1.76 0.12 -0.85 -0.52 4.81 -1.98 -2.30 114.58 115.62 1xl8 h GLU 523 Ca -0.50 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 58.95 1xl8 h GLU 523 Cb 1.30 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.51 1xl8 h GLU 523 CO 0.58 0.08 0.20 1.25 -0.73 0.00 0.00 179.01 180.40 1xl8 h LEU 524 N 0.12 -0.03 -0.33 1.64 5.85 -1.90 -0.14 115.31 120.52 1xl8 h LEU 524 Ca 0.32 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1xl8 h LEU 524 Cb 1.08 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1xl8 h LEU 524 CO -0.04 -0.14 0.00 -0.26 -0.34 0.00 0.00 178.44 177.66 1xl8 h PHE 525 N 0.21 0.00 0.00 1.25 -1.00 -1.78 -3.11 116.94 112.51 1xl8 h PHE 525 Ca 0.52 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.30 1xl8 h PHE 525 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1xl8 h PHE 525 CO -0.28 0.00 -0.55 0.39 -1.61 0.00 0.00 178.31 176.26 1xl8 n GLU 526 N -2.87 0.19 -1.67 1.51 1.02 -0.12 -4.75 120.64 113.95 1xl8 n GLU 526 Ca 0.04 0.06 -0.45 0.00 -0.02 0.00 0.00 57.16 56.78 1xl8 n GLU 526 Cb 0.45 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1xl8 n GLU 526 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xl8 n ASP 527 N -1.90 3.06 -0.25 1.62 -0.08 -0.87 -4.88 116.55 113.26 1xl8 n ASP 527 Ca 0.04 1.10 0.10 0.00 -1.51 0.00 0.00 54.79 54.52 1xl8 n ASP 527 Cb 0.40 -1.44 0.36 0.00 2.34 0.00 0.00 41.12 42.79 1xl8 n ASP 527 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xl8 h PRO 528 N 5.42 0.71 0.00 -0.67 0.11 -1.91 -1.53 132.00 134.14 1xl8 h PRO 528 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1xl8 h PRO 528 Cb 1.26 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1xl8 h PRO 528 CO 0.85 0.47 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.70 1xl8 h LEU 529 N 0.73 0.00 -0.42 2.35 3.38 -1.95 -2.18 115.31 117.22 1xl8 h LEU 529 Ca 0.41 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.42 1xl8 h LEU 529 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1xl8 h LEU 529 CO -0.17 0.34 0.17 0.15 0.09 0.00 0.00 178.44 179.02 1xl8 h PHE 530 N 0.00 0.31 0.00 1.13 3.04 -1.55 -0.13 116.94 119.75 1xl8 h PHE 530 Ca -0.00 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 1xl8 h PHE 530 Cb 0.64 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1xl8 h PHE 530 CO 0.00 0.14 -0.79 0.66 -2.02 0.00 0.00 178.31 176.30 1xl8 h SER 531 N 0.36 0.00 0.38 0.41 4.64 -1.62 -0.25 113.55 117.46 1xl8 h SER 531 Ca 0.19 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1xl8 h SER 531 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1xl8 h SER 531 CO -0.17 0.48 -0.54 -0.09 -0.87 0.00 0.00 176.83 175.64 1xl8 h ARG 532 N 0.00 0.17 0.00 4.77 2.43 -0.97 -2.29 114.38 118.48 1xl8 h ARG 532 Ca -0.05 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1xl8 h ARG 532 Cb 1.41 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1xl8 h ARG 532 CO 0.05 0.66 0.00 -1.13 -1.51 0.00 0.00 179.97 178.05 1xl8 n SER 533 N -3.92 0.50 0.00 -3.80 3.41 -0.10 -4.87 113.62 104.85 1xl8 n SER 533 Ca -0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1xl8 n SER 533 Cb 0.56 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1xl8 n SER 533 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xl8 n GLY 534 N 1.08 1.47 3.57 5.00 0.00 -0.86 -4.77 105.19 110.69 1xl8 n GLY 534 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1xl8 n GLY 534 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl8 n GLY 535 N 0.00 -0.74 2.15 -0.02 0.00 -0.11 -1.51 105.19 104.96 1xl8 n GLY 535 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 1xl8 n GLY 535 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl8 n GLY 536 N 1.24 0.15 3.52 -0.02 0.00 -1.26 -3.63 105.19 105.19 1xl8 n GLY 536 Ca 0.12 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1xl8 n GLY 536 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl8 n GLY 537 N -1.01 -0.45 1.03 -0.02 0.00 -1.21 -4.94 105.19 98.58 1xl8 n GLY 537 Ca -0.07 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1xl8 n GLY 537 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xl8 n ASN 538 N -3.07 2.52 -4.68 1.61 3.02 -0.57 -4.74 115.26 109.35 1xl8 n ASN 538 Ca -0.14 -3.85 -0.42 0.00 -0.03 0.00 0.00 54.58 50.13 1xl8 n ASN 538 Cb 0.62 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1xl8 n ASN 538 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xl8 s PHE 539 N -3.31 3.48 -0.25 3.10 0.40 -1.25 -4.57 117.98 115.58 1xl8 s PHE 539 Ca 0.43 1.55 0.28 0.00 -0.60 0.00 0.00 56.93 58.59 1xl8 s PHE 539 Cb 0.39 -3.19 1.07 0.00 0.51 0.00 0.00 43.02 41.79 1xl8 s PHE 539 CO -0.03 -0.27 1.83 -0.24 0.70 0.00 0.00 175.22 177.20 1xl8 h VAL 540 N 5.17 0.00 -3.66 -0.44 3.04 -1.83 -3.39 116.25 115.13 1xl8 h VAL 540 Ca -0.29 -0.46 -0.63 0.00 -1.01 0.00 0.00 66.70 64.32 1xl8 h VAL 540 Cb 1.13 1.37 -0.38 0.00 -2.01 0.00 0.00 31.29 31.40 1xl8 h VAL 540 CO 0.88 0.00 -0.78 -0.76 -1.01 0.00 0.00 177.57 175.90 1xl8 s LEU 541 N -5.42 2.95 -0.33 3.16 1.43 -0.95 0.43 118.68 119.95 1xl8 s LEU 541 Ca 0.04 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 51.69 1xl8 s LEU 541 Cb 0.09 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 45.03 1xl8 s LEU 541 CO 0.51 -0.25 0.18 -0.55 0.23 0.00 0.00 176.35 176.47 1xl8 s SER 542 N 1.30 5.70 0.24 2.29 0.15 -0.54 -0.46 113.70 122.37 1xl8 s SER 542 Ca -0.04 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.03 1xl8 s SER 542 Cb -0.19 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1xl8 s SER 542 CO -0.07 -0.24 0.16 0.42 1.20 0.00 0.00 173.24 174.70 1xl8 s THR 543 N 1.63 0.11 0.00 6.45 -4.23 0.16 -0.34 115.64 119.41 1xl8 s THR 543 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1xl8 s THR 543 Cb -0.18 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1xl8 s THR 543 CO 0.07 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.91 1xl8 n SER 544 N -0.62 0.00 -4.73 3.99 2.88 -1.17 -2.46 113.62 111.51 1xl8 n SER 544 Ca 0.03 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.16 1xl8 n SER 544 Cb 0.65 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.07 1xl8 n SER 544 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1xl8 s LEU 545 N 0.00 4.37 0.00 2.46 2.96 -1.26 -3.01 118.68 124.20 1xl8 s LEU 545 Ca 0.00 1.37 0.21 0.00 -0.22 0.00 0.00 54.13 55.48 1xl8 s LEU 545 Cb 0.00 -3.22 0.53 0.00 0.50 0.00 0.00 46.19 44.00 1xl8 s LEU 545 CO 0.00 -0.09 1.45 1.33 -1.32 0.00 0.00 176.35 177.71 1xl8 n VAL 546 N 3.44 0.60 0.00 1.68 0.24 0.54 -4.95 118.33 119.88 1xl8 n VAL 546 Ca -0.00 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1xl8 n VAL 546 Cb 0.51 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1xl8 n VAL 546 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xl8 n GLY 547 N 1.43 -0.08 2.24 7.63 0.00 -1.26 -4.78 105.19 110.37 1xl8 n GLY 547 Ca 0.19 -2.27 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 1xl8 n GLY 547 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xl8 n TYR 548 N -0.08 2.51 -2.27 1.61 4.02 -1.26 -1.78 117.16 119.90 1xl8 n TYR 548 Ca 0.00 -2.33 -0.23 0.00 -0.01 0.00 0.00 57.90 55.33 1xl8 n TYR 548 Cb 0.00 -0.29 0.01 0.00 -0.02 0.00 0.00 39.34 39.04 1xl8 n TYR 548 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1xl8 n LEU 549 N -0.64 4.50 0.00 7.72 4.77 -1.26 -4.93 117.00 127.16 1xl8 n LEU 549 Ca 0.36 -4.79 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1xl8 n LEU 549 Cb 0.90 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1xl8 n LEU 549 CO 0.33 2.07 0.00 0.54 -1.33 0.00 0.00 177.39 179.00 1xl8 n ARG 550 N -0.59 -1.36 -4.33 3.23 1.74 -1.26 -4.71 116.66 109.38 1xl8 n ARG 550 Ca 0.38 0.15 -0.35 0.00 -0.77 0.00 0.00 57.85 57.27 1xl8 n ARG 550 Cb 0.83 -3.26 -0.10 0.00 -1.02 0.00 0.00 32.46 28.92 1xl8 n ARG 550 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xl8 s VAL 551 N -0.44 4.32 0.11 1.55 1.01 -1.26 -4.73 120.40 120.96 1xl8 s VAL 551 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.84 1xl8 s VAL 551 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1xl8 s VAL 551 CO 0.00 0.58 -0.25 -1.58 0.00 0.00 0.00 175.10 173.85 1xl8 s GLN 552 N -0.58 1.33 0.35 2.72 2.00 -1.26 -4.79 119.66 119.43 1xl8 s GLN 552 Ca 0.10 -1.26 0.03 0.00 -2.00 0.00 0.00 55.36 52.23 1xl8 s GLN 552 Cb -0.12 -1.72 -0.01 0.00 0.80 0.00 0.00 33.01 31.96 1xl8 s GLN 552 CO 0.02 0.41 0.40 0.20 -0.50 0.00 0.00 175.29 175.82 1xl8 s GLY 553 N -1.92 1.95 0.08 2.59 0.00 -1.26 -3.40 107.32 105.36 1xl8 s GLY 553 Ca 0.11 -1.81 -0.27 0.00 0.00 0.00 0.00 44.72 42.75 1xl8 s GLY 553 CO 0.05 -1.22 0.98 0.54 0.00 0.00 0.00 173.10 173.45 1xl8 s VAL 554 N -3.11 0.00 0.25 1.40 0.11 -0.40 -4.73 120.40 113.91 1xl8 s VAL 554 Ca 0.35 -0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1xl8 s VAL 554 Cb 0.00 -1.68 -0.02 0.00 -1.53 0.00 0.00 36.38 33.16 1xl8 s VAL 554 CO 0.25 0.00 0.36 0.68 -3.33 0.00 0.00 175.10 173.06 1xl8 s VAL 555 N -3.11 0.00 0.58 2.04 -7.23 -1.26 -2.04 120.40 109.36 1xl8 s VAL 555 Ca 0.10 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.52 1xl8 s VAL 555 Cb -0.01 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1xl8 s VAL 555 CO -0.02 0.00 0.98 0.68 -0.31 0.00 0.00 175.10 176.43 1xl8 s VAL 556 N -3.91 4.71 0.00 1.32 -7.23 -1.26 -4.64 120.40 109.38 1xl8 s VAL 556 Ca 0.29 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.29 1xl8 s VAL 556 Cb 0.02 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1xl8 s VAL 556 CO 0.12 -1.01 0.00 -2.65 -0.31 0.00 0.00 175.10 171.25 1xl8 n PRO 557 N -2.44 3.45 -0.70 4.82 -0.02 -1.26 -4.82 135.00 134.03 1xl8 n PRO 557 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.31 1xl8 n PRO 557 Cb 0.54 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.03 1xl8 n PRO 557 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xl8 n VAL 559 N 0.00 0.00 -0.24 -1.45 0.24 -1.26 -4.98 118.33 110.64 1xl8 n VAL 559 Ca 0.00 -0.29 0.05 0.00 -2.04 0.00 0.00 64.34 62.06 1xl8 n VAL 559 Cb 0.00 0.00 0.17 0.00 -1.47 0.00 0.00 33.84 32.54 1xl8 n VAL 559 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1xl8 h HIS 560 N -0.07 0.22 -0.70 6.34 2.76 -1.99 0.19 115.15 121.90 1xl8 h HIS 560 Ca -0.24 0.04 -0.37 0.00 -2.20 0.00 0.00 60.37 57.61 1xl8 h HIS 560 Cb 0.82 0.02 -0.22 0.00 1.55 0.00 0.00 27.41 29.58 1xl8 h HIS 560 CO 0.13 -0.10 0.46 0.27 -1.30 0.00 0.00 177.93 177.39 1xl8 n ASN 561 N -5.18 3.58 -4.81 3.26 6.94 -1.26 -4.47 115.26 113.31 1xl8 n ASN 561 Ca 0.13 -3.13 -0.30 0.00 -0.02 0.00 0.00 54.58 51.26 1xl8 n ASN 561 Cb 0.45 -0.74 -0.05 0.00 -2.36 0.00 0.00 39.78 37.07 1xl8 n ASN 561 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1xl8 s GLY 562 N -0.61 2.78 0.21 4.83 0.00 0.67 -4.90 107.32 110.29 1xl8 s GLY 562 Ca 0.40 -0.73 0.10 0.00 0.00 0.00 0.00 44.72 44.49 1xl8 s GLY 562 CO 0.08 -2.10 -0.19 -0.19 0.00 0.00 0.00 173.10 170.70 1xl8 s TYR 563 N -2.83 1.99 -0.18 1.90 2.02 0.17 -4.46 117.35 115.95 1xl8 s TYR 563 Ca 0.17 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1xl8 s TYR 563 Cb 0.00 -0.94 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1xl8 s TYR 563 CO 0.10 0.46 -0.17 0.20 -1.57 0.00 0.00 175.55 174.57 1xl8 s GLY 564 N -3.02 1.43 -0.17 0.71 0.00 -0.13 -1.47 107.32 104.66 1xl8 s GLY 564 Ca 0.22 -1.17 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 1xl8 s GLY 564 CO 0.09 0.24 0.00 -0.12 0.00 0.00 0.00 173.10 173.31 1xl8 s PHE 565 N 1.20 1.24 0.21 1.90 2.19 0.54 -0.04 117.98 125.23 1xl8 s PHE 565 Ca 0.02 -0.88 0.08 0.00 0.33 0.00 0.00 56.93 56.48 1xl8 s PHE 565 Cb -0.14 -1.11 -0.05 0.00 -1.31 0.00 0.00 43.02 40.42 1xl8 s PHE 565 CO -0.08 -0.58 -0.14 -0.06 1.83 0.00 0.00 175.22 176.18 1xl8 s PHE 566 N 1.78 1.76 0.13 10.12 0.08 -0.27 -3.03 117.98 128.54 1xl8 s PHE 566 Ca -0.00 -0.57 -0.25 0.00 0.12 0.00 0.00 56.93 56.23 1xl8 s PHE 566 Cb -0.16 -0.83 0.07 0.00 -0.57 0.00 0.00 43.02 41.53 1xl8 s PHE 566 CO -0.07 0.37 0.90 1.52 -0.10 0.00 0.00 175.22 177.83 1xl8 s TYR 567 N -2.95 -0.21 0.05 0.36 1.13 -1.16 -0.79 117.35 113.77 1xl8 s TYR 567 Ca 0.23 -0.06 0.00 0.00 -1.41 0.00 0.00 57.07 55.83 1xl8 s TYR 567 Cb -0.01 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.44 1xl8 s TYR 567 CO 0.08 -0.80 -0.04 -3.38 -2.51 0.00 0.00 175.55 168.89 1xl8 s HIS 568 N -3.34 0.55 -0.13 -3.49 -3.43 -0.39 -0.34 115.29 104.73 1xl8 s HIS 568 Ca 0.10 -0.87 0.03 0.00 -0.80 0.00 0.00 55.06 53.51 1xl8 s HIS 568 Cb -0.02 -0.37 0.01 0.00 -1.43 0.00 0.00 32.58 30.77 1xl8 s HIS 568 CO -0.01 -0.27 -0.22 0.42 -2.00 0.00 0.00 174.74 172.66 1xl8 s ILE 569 N -3.10 2.04 0.18 -5.38 1.01 -0.73 -2.10 121.20 113.11 1xl8 s ILE 569 Ca 0.01 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.76 1xl8 s ILE 569 Cb 0.02 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1xl8 s ILE 569 CO -0.06 0.55 -0.01 -0.13 0.00 0.00 0.00 174.94 175.29 1xl8 s ARG 570 N 0.66 2.37 0.00 2.79 0.52 -0.35 -4.36 118.95 120.58 1xl8 s ARG 570 Ca -0.11 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1xl8 s ARG 570 Cb -0.16 -2.33 0.14 0.00 0.52 0.00 0.00 34.95 33.12 1xl8 s ARG 570 CO 0.02 0.45 0.69 -0.40 0.02 0.00 0.00 175.30 176.08 1xl8 n ASP 571 N -0.15 0.00 0.00 0.23 3.85 -1.26 -2.23 116.55 116.99 1xl8 n ASP 571 Ca -0.10 -0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.98 1xl8 n ASP 571 Cb 0.55 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 1xl8 n ASP 571 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1xl8 n ASP 572 N -1.07 0.20 -3.59 -1.12 5.75 -1.26 -5.12 116.55 110.35 1xl8 n ASP 572 Ca 0.02 -1.03 -0.06 0.00 -0.01 0.00 0.00 54.79 53.71 1xl8 n ASP 572 Cb 0.01 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1xl8 n ASP 572 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xl8 s ARG 573 N -0.03 0.94 -0.06 0.11 1.70 -0.95 -4.72 118.95 115.94 1xl8 s ARG 573 Ca 0.00 -0.42 0.05 0.00 -0.47 0.00 0.00 55.73 54.89 1xl8 s ARG 573 Cb 0.00 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1xl8 s ARG 573 CO 0.00 -0.42 -0.22 -0.06 -1.08 0.00 0.00 175.30 173.53 1xl8 s PHE 574 N -3.16 2.53 -0.12 5.89 0.08 0.04 -1.21 117.98 122.04 1xl8 s PHE 574 Ca 0.08 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.56 1xl8 s PHE 574 Cb -0.01 -1.63 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1xl8 s PHE 574 CO -0.05 -0.14 -0.22 0.08 -0.10 0.00 0.00 175.22 174.79 1xl8 s VAL 575 N -0.22 1.96 0.26 -0.44 1.01 -0.89 0.65 120.40 122.72 1xl8 s VAL 575 Ca -0.01 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.14 1xl8 s VAL 575 Cb -0.13 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1xl8 s VAL 575 CO 0.03 0.53 -0.20 0.68 0.00 0.00 0.00 175.10 176.15 1xl8 s VAL 576 N 0.61 2.39 -0.10 2.92 -7.23 -0.31 -1.26 120.40 117.41 1xl8 s VAL 576 Ca -0.13 -2.33 -0.04 0.00 -1.81 0.00 0.00 61.98 57.67 1xl8 s VAL 576 Cb -0.17 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.58 1xl8 s VAL 576 CO 0.03 -0.38 0.21 0.00 -0.31 0.00 0.00 175.10 174.66 1xl8 s ALA 577 N -2.42 -0.35 -0.04 1.32 0.00 0.03 -1.99 121.76 118.31 1xl8 s ALA 577 Ca 0.28 0.74 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1xl8 s ALA 577 Cb -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1xl8 s ALA 577 CO 0.13 -0.59 -0.20 0.00 0.00 0.00 0.00 175.76 175.10 1xl8 s SER 579 N -0.16 3.49 0.14 0.00 1.04 0.94 -0.44 113.70 118.72 1xl8 s SER 579 Ca -0.01 -0.73 -0.23 0.00 0.48 0.00 0.00 55.95 55.46 1xl8 s SER 579 Cb -0.11 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.77 1xl8 s SER 579 CO 0.02 0.16 0.59 -0.94 0.98 0.00 0.00 173.24 174.06 1xl8 s SER 580 N -2.24 -0.56 -0.21 7.02 1.04 -0.66 -0.96 113.70 117.13 1xl8 s SER 580 Ca 0.17 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.52 1xl8 s SER 580 Cb -0.10 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1xl8 s SER 580 CO 0.08 -0.94 0.16 0.26 0.98 0.00 0.00 173.24 173.78 1xl8 s TRP 581 N -3.58 3.38 0.23 5.02 0.52 -1.26 -1.20 118.94 122.05 1xl8 s TRP 581 Ca 0.00 0.32 -0.06 0.00 0.02 0.00 0.00 56.10 56.39 1xl8 s TRP 581 Cb -0.01 -2.22 0.23 0.00 -1.15 0.00 0.00 33.47 30.32 1xl8 s TRP 581 CO -0.11 0.20 1.77 0.00 0.02 0.00 0.00 176.95 178.83 1xl8 h ARG 582 N 6.99 1.04 0.00 4.98 3.08 -1.41 -1.82 114.38 127.25 1xl8 h ARG 582 Ca -0.40 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.43 1xl8 h ARG 582 Cb 1.16 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1xl8 h ARG 582 CO 0.72 0.90 0.15 0.66 -1.07 0.00 0.00 179.97 181.34 1xl8 h SER 583 N 1.00 0.00 -3.49 7.04 4.64 -1.94 -3.33 113.55 117.47 1xl8 h SER 583 Ca 0.22 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.82 1xl8 h SER 583 Cb 0.31 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.16 1xl8 h SER 583 CO -0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 175.51 1xl8 h PRO 585 N 8.54 0.00 0.00 0.00 0.13 -1.82 -3.17 132.00 135.68 1xl8 h PRO 585 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1xl8 h PRO 585 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1xl8 h PRO 585 CO 0.74 0.18 -0.66 0.93 -0.23 0.00 0.00 178.00 178.95 1xl8 h GLU 586 N 0.00 0.00 -6.07 0.86 3.07 -1.93 -3.45 114.58 107.06 1xl8 h GLU 586 Ca -0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 1xl8 h GLU 586 Cb 0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 1xl8 h GLU 586 CO 0.02 0.66 -0.40 0.95 -1.40 0.00 0.00 179.01 178.85 1xl8 s THR 587 N -3.42 5.27 -0.27 1.13 -4.23 -1.20 -5.06 115.64 107.86 1xl8 s THR 587 Ca -0.01 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1xl8 s THR 587 Cb 0.12 -3.66 0.16 0.00 1.34 0.00 0.00 72.50 70.45 1xl8 s THR 587 CO 0.77 0.02 0.43 -0.62 -0.54 0.00 0.00 174.62 174.67 1xl8 s ASP 588 N -2.70 -0.01 0.30 3.99 -1.08 -1.26 -4.89 116.67 111.02 1xl8 s ASP 588 Ca 0.38 0.05 0.02 0.00 -0.52 0.00 0.00 52.55 52.48 1xl8 s ASP 588 Cb -0.12 1.29 0.59 0.00 -1.46 0.00 0.00 42.92 43.22 1xl8 s ASP 588 CO 0.27 -0.32 1.86 0.00 0.52 0.00 0.00 175.17 177.51 1xl8 h ALA 589 N 8.14 1.57 0.44 3.66 0.00 -1.89 -2.46 119.26 128.71 1xl8 h ALA 589 Ca -0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1xl8 h ALA 589 Cb 1.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xl8 h ALA 589 CO 0.26 0.22 -0.21 1.49 0.00 0.00 0.00 179.25 181.01 1xl8 h GLU 590 N 0.96 -0.56 -0.25 0.00 4.57 -1.92 -2.25 114.58 115.13 1xl8 h GLU 590 Ca 0.46 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.67 1xl8 h GLU 590 Cb 0.44 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1xl8 h GLU 590 CO -0.22 -0.34 0.12 -0.22 -1.18 0.00 0.00 179.01 177.17 1xl8 h LYS 591 N -0.65 0.34 -0.39 1.92 1.63 -1.95 -1.65 116.57 115.82 1xl8 h LYS 591 Ca -0.06 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.61 1xl8 h LYS 591 Cb 0.48 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1xl8 h LYS 591 CO 0.10 0.26 -0.17 1.25 -3.45 0.00 0.00 179.45 177.44 1xl8 h LEU 592 N 0.34 0.82 -0.59 5.20 5.85 -1.29 -2.87 115.31 122.77 1xl8 h LEU 592 Ca 0.09 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1xl8 h LEU 592 Cb 0.03 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1xl8 h LEU 592 CO -0.01 1.03 0.27 0.58 -0.34 0.00 0.00 178.44 179.97 1xl8 h VAL 593 N 0.60 1.21 0.00 1.05 2.07 -0.90 0.42 116.25 120.70 1xl8 h VAL 593 Ca 0.09 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1xl8 h VAL 593 Cb 0.71 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1xl8 h VAL 593 CO 0.05 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.89 1xl8 n GLN 594 N -4.52 0.00 0.00 1.57 6.02 -0.67 -2.04 117.38 117.74 1xl8 n GLN 594 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1xl8 n GLN 594 Cb 0.14 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1xl8 n GLN 594 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1xl8 n ILE 596 N 0.62 0.00 -0.16 5.09 3.06 0.14 -1.96 119.36 126.14 1xl8 n ILE 596 Ca 0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 1xl8 n ILE 596 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1xl8 n ILE 596 CO 0.00 0.00 0.00 -0.26 -2.50 0.00 0.00 176.55 173.79 1xl8 h PHE 597 N 0.00 0.81 -0.28 9.51 0.05 -1.67 0.22 116.94 125.58 1xl8 h PHE 597 Ca 0.00 -0.11 -0.04 0.00 3.82 0.00 0.00 57.97 61.64 1xl8 h PHE 597 Cb 0.00 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 37.71 1xl8 h PHE 597 CO 0.00 0.76 -0.00 0.45 -0.18 0.00 0.00 178.31 179.33 1xl8 h HIS 598 N 0.63 0.43 -0.46 -0.55 3.86 -1.67 -1.28 115.15 116.12 1xl8 h HIS 598 Ca 0.14 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 1xl8 h HIS 598 Cb 0.38 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1xl8 h HIS 598 CO 0.03 0.44 -0.19 0.00 0.86 0.00 0.00 177.93 179.06 1xl8 h ALA 599 N 1.59 0.64 -0.11 2.45 0.00 -1.62 -0.06 119.26 122.15 1xl8 h ALA 599 Ca 0.09 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1xl8 h ALA 599 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xl8 h ALA 599 CO 0.01 0.61 -0.01 0.74 0.00 0.00 0.00 179.25 180.60 1xl8 h PHE 600 N 0.78 -0.03 0.50 0.00 0.04 0.30 -3.05 116.94 115.48 1xl8 h PHE 600 Ca 0.11 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1xl8 h PHE 600 Cb 0.76 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1xl8 h PHE 600 CO 0.05 -0.03 -0.38 1.25 -0.60 0.00 0.00 178.31 178.61 1xl8 h HIS 601 N 0.02 -1.02 0.00 -0.55 2.76 -1.12 -0.76 115.15 114.49 1xl8 h HIS 601 Ca 0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1xl8 h HIS 601 Cb 0.07 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1xl8 h HIS 601 CO -0.14 -0.55 0.00 -0.25 -1.30 0.00 0.00 177.93 175.68 1xl8 n ASP 602 N -5.50 0.00 0.00 3.26 9.92 -0.05 -1.39 116.55 122.79 1xl8 n ASP 602 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1xl8 n ASP 602 Cb 0.39 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 1xl8 n ASP 602 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1xl8 n ILE 604 N 0.62 0.00 -0.15 0.53 2.08 -0.29 -1.88 119.36 120.27 1xl8 n ILE 604 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 1xl8 n ILE 604 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 38.95 1xl8 n ILE 604 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1xl8 h GLN 605 N 0.00 0.24 -1.06 0.38 4.15 -1.51 -1.21 115.11 116.10 1xl8 h GLN 605 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xl8 h GLN 605 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1xl8 h GLN 605 CO 0.00 0.16 0.00 -0.11 -1.93 0.00 0.00 178.83 176.95 1xl8 n LEU 606 N -5.09 0.00 0.00 -2.39 7.94 -0.79 0.56 117.00 117.24 1xl8 n LEU 606 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1xl8 n LEU 606 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1xl8 n LEU 606 CO 0.22 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 177.09 1xl8 n ASN 608 N 0.73 0.00 -0.11 1.96 3.02 -0.46 -3.08 115.26 117.33 1xl8 n ASN 608 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1xl8 n ASN 608 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1xl8 n ASN 608 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1xl8 h THR 609 N 0.00 1.24 0.00 3.41 2.02 -0.12 -2.81 112.91 116.65 1xl8 h THR 609 Ca 0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1xl8 h THR 609 Cb 0.00 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1xl8 h THR 609 CO 0.00 0.29 0.00 0.00 0.37 0.00 0.00 175.52 176.18 1xl8 n ALA 610 N -2.35 3.63 -0.06 6.16 0.00 -1.18 -3.74 120.51 122.97 1xl8 n ALA 610 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 1xl8 n ALA 610 Cb 0.24 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 1xl8 n ALA 610 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1xl8 n HIS 611 N 1.35 0.63 -0.46 0.00 -0.00 -1.06 -5.12 115.22 110.56 1xl8 n HIS 611 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 1xl8 n HIS 611 Cb 0.47 -1.10 0.00 0.00 -0.00 0.00 0.00 29.99 29.37 1xl8 n HIS 611 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62