#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 2.92 0.25 5.31 0.52 -1.26 -4.86 118.95 121.83 1xl8 s ARG 12 Ca 0.00 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.58 1xl8 s ARG 12 Cb 0.00 -2.76 0.33 0.00 0.52 0.00 0.00 34.95 33.04 1xl8 s ARG 12 CO 0.00 0.67 1.56 1.15 0.02 0.00 0.00 175.30 178.70 1xl8 h THR 13 N 3.79 0.02 -0.74 0.02 2.02 -1.40 -2.31 112.91 114.31 1xl8 h THR 13 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1xl8 h THR 13 Cb 1.18 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1xl8 h THR 13 CO 0.57 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.95 1xl8 n PHE 14 N -5.54 0.99 0.25 3.16 3.01 -1.26 -4.66 117.46 113.41 1xl8 n PHE 14 Ca 0.12 -0.49 0.14 0.00 1.01 0.00 0.00 57.45 58.23 1xl8 n PHE 14 Cb 0.44 0.00 0.83 0.00 -0.01 0.00 0.00 39.48 40.73 1xl8 n PHE 14 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1xl8 h GLN 15 N 4.35 0.00 -0.00 -1.08 3.07 -1.83 -2.69 115.11 116.92 1xl8 h GLN 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xl8 h GLN 15 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.56 1xl8 h GLN 15 CO 0.00 0.00 -0.37 0.66 0.09 0.00 0.00 178.83 179.21 1xl8 n TYR 16 N -4.00 0.00 -0.30 0.06 4.01 -1.26 -4.40 117.16 111.27 1xl8 n TYR 16 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 1xl8 n TYR 16 Cb 0.18 -0.16 0.28 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 0.77 0.42 0.00 -0.72 1.08 -1.83 0.17 115.11 115.00 1xl8 h GLN 17 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1xl8 h GLN 17 Cb 0.51 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1xl8 h GLN 17 CO 0.00 0.28 0.00 -0.25 -0.95 0.00 0.00 178.83 177.91 1xl8 n ASP 18 N -5.02 0.00 -0.00 1.46 8.00 -1.26 -3.02 116.55 116.71 1xl8 n ASP 18 Ca 0.20 -0.29 0.07 0.00 0.71 0.00 0.00 54.79 55.49 1xl8 n ASP 18 Cb 0.59 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.41 1xl8 n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xl8 n SER 19 N -1.19 0.81 -4.76 -2.24 7.64 0.59 -5.00 113.62 109.47 1xl8 n SER 19 Ca 0.13 -0.74 -0.41 0.00 1.01 0.00 0.00 58.87 58.86 1xl8 n SER 19 Cb 0.15 1.10 -0.01 0.00 -1.01 0.00 0.00 64.21 64.43 1xl8 n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xl8 s LEU 20 N -2.91 4.35 0.64 -3.43 1.43 -1.06 -4.98 118.68 112.73 1xl8 s LEU 20 Ca 0.04 2.90 -0.16 0.00 -1.03 0.00 0.00 54.13 55.89 1xl8 s LEU 20 Cb 0.11 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1xl8 s LEU 20 CO 0.63 -0.85 1.12 -2.16 0.23 0.00 0.00 176.35 175.32 1xl8 s PRO 21 N -0.84 2.86 0.50 1.29 0.04 -1.26 -4.49 135.00 133.11 1xl8 s PRO 21 Ca 0.60 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.89 1xl8 s PRO 21 Cb -0.46 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 1xl8 s PRO 21 CO 0.50 -1.21 1.07 -1.12 0.04 0.00 0.00 177.00 176.29 1xl8 s SER 22 N -2.41 6.12 0.04 6.66 0.01 -1.26 -0.88 113.70 121.98 1xl8 s SER 22 Ca 0.68 2.03 -0.30 0.00 1.31 0.00 0.00 55.95 59.67 1xl8 s SER 22 Cb -0.22 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.37 1xl8 s SER 22 CO 0.39 -0.94 1.66 -0.22 0.41 0.00 0.00 173.24 174.54 1xl8 s LEU 23 N -3.56 4.36 0.76 2.44 2.96 0.94 -4.82 118.68 121.75 1xl8 s LEU 23 Ca 0.69 2.43 -0.12 0.00 -0.22 0.00 0.00 54.13 56.91 1xl8 s LEU 23 Cb -0.20 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 42.99 1xl8 s LEU 23 CO 0.23 -0.89 1.13 -2.16 -1.32 0.00 0.00 176.35 173.34 1xl8 s PRO 24 N 3.00 2.40 -0.22 0.98 0.04 -1.26 -4.59 135.00 135.35 1xl8 s PRO 24 Ca 0.74 0.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 1xl8 s PRO 24 Cb -0.38 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 1xl8 s PRO 24 CO 0.32 -1.33 -0.02 0.08 0.04 0.00 0.00 177.00 176.08 1xl8 s VAL 25 N -3.43 3.58 0.97 -0.36 1.01 -1.26 -5.00 120.40 115.91 1xl8 s VAL 25 Ca 0.60 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1xl8 s VAL 25 Cb -0.11 -2.63 0.17 0.00 0.00 0.00 0.00 36.38 33.81 1xl8 s VAL 25 CO 0.51 0.42 1.09 -2.84 0.00 0.00 0.00 175.10 174.27 1xl8 s PRO 26 N 1.38 0.66 0.16 2.72 0.02 -1.26 -4.97 135.00 133.70 1xl8 s PRO 26 Ca 0.05 0.76 -0.30 0.00 0.02 0.00 0.00 61.00 61.53 1xl8 s PRO 26 Cb -0.14 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.56 1xl8 s PRO 26 CO -0.01 -2.63 1.09 0.00 -0.33 0.00 0.00 177.00 175.11 1xl8 s ALA 27 N -2.86 3.35 0.19 -1.55 0.00 -1.26 -4.95 121.76 114.67 1xl8 s ALA 27 Ca 0.65 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 1xl8 s ALA 27 Cb -0.19 -3.35 0.15 0.00 0.00 0.00 0.00 23.12 19.72 1xl8 s ALA 27 CO 0.58 -0.20 1.80 1.25 0.00 0.00 0.00 175.76 179.19 1xl8 h LEU 28 N 5.32 0.47 -0.57 0.00 5.85 -1.99 -1.46 115.31 122.93 1xl8 h LEU 28 Ca -0.44 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1xl8 h LEU 28 Cb 1.21 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1xl8 h LEU 28 CO 0.73 0.32 0.29 -0.08 -0.34 0.00 0.00 178.44 179.36 1xl8 h GLU 29 N 0.59 0.81 -0.33 1.25 4.81 -1.98 -0.93 114.58 118.81 1xl8 h GLU 29 Ca 0.24 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1xl8 h GLU 29 Cb 0.10 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1xl8 h GLU 29 CO -0.14 0.64 0.04 0.93 -0.73 0.00 0.00 179.01 179.76 1xl8 h GLU 30 N 0.77 0.56 -0.42 1.92 5.08 -1.90 -0.90 114.58 119.68 1xl8 h GLU 30 Ca 0.20 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1xl8 h GLU 30 Cb 0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1xl8 h GLU 30 CO -0.03 0.65 0.24 0.77 -1.00 0.00 0.00 179.01 179.64 1xl8 h SER 31 N 0.38 0.38 -0.24 1.42 0.02 -1.10 0.13 113.55 114.54 1xl8 h SER 31 Ca 0.10 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1xl8 h SER 31 Cb 0.37 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1xl8 h SER 31 CO 0.01 0.27 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.73 1xl8 h LEU 32 N 0.48 0.67 -0.39 5.07 3.38 -1.08 -1.19 115.31 122.25 1xl8 h LEU 32 Ca 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1xl8 h LEU 32 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1xl8 h LEU 32 CO -0.09 0.85 0.09 0.11 0.09 0.00 0.00 178.44 179.49 1xl8 h LYS 33 N 0.61 0.63 -0.65 1.13 1.79 -0.71 -1.40 116.57 117.97 1xl8 h LYS 33 Ca 0.10 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 1xl8 h LYS 33 Cb 0.63 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1xl8 h LYS 33 CO 0.04 0.66 0.22 0.87 -1.08 0.00 0.00 179.45 180.17 1xl8 h LYS 34 N 0.49 1.00 -0.28 3.15 1.57 -0.81 -1.33 116.57 120.37 1xl8 h LYS 34 Ca 0.12 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xl8 h LYS 34 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1xl8 h LYS 34 CO 0.00 0.87 0.16 -0.92 -0.57 0.00 0.00 179.45 178.99 1xl8 h TYR 35 N 0.94 0.30 -0.71 -1.35 5.03 -1.03 -0.56 116.97 119.58 1xl8 h TYR 35 Ca 0.21 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 1xl8 h TYR 35 Cb 0.27 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 1xl8 h TYR 35 CO 0.02 0.17 0.37 1.25 -1.32 0.00 0.00 178.16 178.66 1xl8 h LEU 36 N 0.33 0.91 -1.46 2.82 5.85 -1.09 -1.11 115.31 121.56 1xl8 h LEU 36 Ca 0.11 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1xl8 h LEU 36 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1xl8 h LEU 36 CO -0.06 0.76 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.55 1xl8 h GLU 37 N 0.99 0.14 0.00 1.25 4.57 -0.92 -2.84 114.58 117.76 1xl8 h GLU 37 Ca 0.25 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1xl8 h GLU 37 Cb 0.07 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1xl8 h GLU 37 CO -0.04 0.32 0.00 0.66 -1.18 0.00 0.00 179.01 178.77 1xl8 h SER 38 N 0.13 0.00 1.12 1.04 4.64 0.18 -3.22 113.55 117.45 1xl8 h SER 38 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1xl8 h SER 38 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xl8 h SER 38 CO 0.03 0.00 -0.85 -0.37 -0.87 0.00 0.00 176.83 174.77 1xl8 h VAL 39 N 0.00 0.00 -1.00 0.95 -1.51 -1.20 -3.39 116.25 110.10 1xl8 h VAL 39 Ca 0.00 -0.97 0.28 0.00 -1.23 0.00 0.00 66.70 64.79 1xl8 h VAL 39 Cb 0.74 1.54 -0.14 0.00 -2.13 0.00 0.00 31.29 31.30 1xl8 h VAL 39 CO 0.00 0.00 0.58 0.11 -1.23 0.00 0.00 177.57 177.03 1xl8 h LYS 40 N 0.00 0.43 0.00 5.19 1.57 -1.58 -0.34 116.57 121.84 1xl8 h LYS 40 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xl8 h LYS 40 Cb 0.98 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1xl8 h LYS 40 CO 0.00 0.28 0.00 -2.30 -0.57 0.00 0.00 179.45 176.86 1xl8 n PRO 41 N -4.98 0.16 -0.06 3.15 -0.02 -1.26 -2.61 135.00 129.39 1xl8 n PRO 41 Ca 0.29 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 62.29 1xl8 n PRO 41 Cb 0.87 -1.86 0.07 0.00 -0.02 0.00 0.00 33.50 32.55 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 -2.18 0.14 -4.36 6.00 3.72 -0.15 -4.85 117.46 115.79 1xl8 n PHE 42 Ca 0.01 -0.23 -0.28 0.00 -0.05 0.00 0.00 57.45 56.91 1xl8 n PHE 42 Cb 0.16 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.80 2.68 0.31 4.37 0.00 -1.07 -5.05 121.76 122.19 1xl8 s ALA 43 Ca 0.12 -1.52 0.07 0.00 0.00 0.00 0.00 51.96 50.63 1xl8 s ALA 43 Cb 0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1xl8 s ALA 43 CO 0.10 0.48 0.35 0.54 0.00 0.00 0.00 175.76 177.24 1xl8 s ASN 44 N -2.56 5.74 0.25 0.00 2.20 -1.26 -4.89 114.94 114.43 1xl8 s ASN 44 Ca 0.21 -0.25 -0.11 0.00 -0.94 0.00 0.00 52.86 51.76 1xl8 s ASN 44 Cb -0.09 -1.28 0.37 0.00 -2.00 0.00 0.00 41.25 38.25 1xl8 s ASN 44 CO 0.11 -0.28 1.52 -0.62 -2.94 0.00 0.00 177.10 174.89 1xl8 n GLU 45 N -1.44 -0.14 -0.09 3.55 1.02 -1.26 -1.50 120.64 120.77 1xl8 n GLU 45 Ca -0.03 1.52 -0.10 0.00 -0.02 0.00 0.00 57.16 58.52 1xl8 n GLU 45 Cb 0.58 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 1xl8 n GLU 45 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1xl8 h ASP 46 N 0.00 0.43 -0.28 1.62 3.32 -1.99 -1.57 116.42 117.95 1xl8 h ASP 46 Ca 0.42 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1xl8 h ASP 46 Cb 0.66 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1xl8 h ASP 46 CO -0.99 0.54 0.16 -0.33 -1.72 0.00 0.00 179.24 176.90 1xl8 h GLU 47 N 0.30 0.38 -0.15 3.56 5.08 -1.73 -1.52 114.58 120.52 1xl8 h GLU 47 Ca 0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1xl8 h GLU 47 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1xl8 h GLU 47 CO -0.00 0.31 0.06 -0.92 -1.00 0.00 0.00 179.01 177.46 1xl8 h TYR 48 N 0.34 0.11 -0.83 4.33 3.20 -1.21 -0.76 116.97 122.16 1xl8 h TYR 48 Ca 0.10 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.11 1xl8 h TYR 48 Cb 0.04 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.19 1xl8 h TYR 48 CO -0.04 0.06 0.43 -0.22 -1.64 0.00 0.00 178.16 176.75 1xl8 h LYS 49 N 0.14 0.63 -0.60 1.82 3.11 -1.07 -0.27 116.57 120.33 1xl8 h LYS 49 Ca 0.06 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1xl8 h LYS 49 Cb 0.02 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.08 1xl8 h LYS 49 CO -0.05 0.42 0.29 -0.22 -2.81 0.00 0.00 179.45 177.07 1xl8 h LYS 50 N 0.65 0.87 -0.63 1.90 3.64 -0.50 -2.76 116.57 119.74 1xl8 h LYS 50 Ca 0.44 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1xl8 h LYS 50 Cb 0.56 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1xl8 h LYS 50 CO -0.33 0.70 0.03 1.15 -2.27 0.00 0.00 179.45 178.74 1xl8 h THR 51 N 0.83 1.26 -0.58 1.00 2.02 0.27 -2.23 112.91 115.49 1xl8 h THR 51 Ca 0.21 -1.12 0.06 0.00 0.77 0.00 0.00 66.41 66.33 1xl8 h THR 51 Cb 0.12 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1xl8 h THR 51 CO -0.03 0.41 0.29 -0.33 0.37 0.00 0.00 175.52 176.24 1xl8 h GLU 52 N 1.00 0.53 -0.46 6.66 5.08 -0.91 0.19 114.58 126.66 1xl8 h GLU 52 Ca 0.18 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1xl8 h GLU 52 Cb 0.52 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1xl8 h GLU 52 CO 0.03 0.35 0.17 0.93 -1.00 0.00 0.00 179.01 179.49 1xl8 h GLU 53 N 0.55 0.70 -0.45 2.33 5.08 -1.27 0.97 114.58 122.49 1xl8 h GLU 53 Ca 0.26 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1xl8 h GLU 53 Cb 0.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xl8 h GLU 53 CO -0.19 0.65 0.24 0.82 -1.00 0.00 0.00 179.01 179.53 1xl8 h ILE 54 N 0.61 1.16 -0.39 3.13 2.04 -0.84 -0.96 117.51 122.26 1xl8 h ILE 54 Ca 0.15 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1xl8 h ILE 54 Cb 0.21 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1xl8 h ILE 54 CO -0.01 0.17 0.01 0.58 0.00 0.00 0.00 178.15 178.90 1xl8 h VAL 55 N 0.59 1.26 -0.67 1.67 2.07 -0.39 -0.89 116.25 119.89 1xl8 h VAL 55 Ca 0.16 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1xl8 h VAL 55 Cb 0.06 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1xl8 h VAL 55 CO -0.02 0.33 0.15 -0.61 0.02 0.00 0.00 177.57 177.43 1xl8 h GLN 56 N 0.50 1.09 -0.69 1.57 4.15 -0.67 0.28 115.11 121.34 1xl8 h GLN 56 Ca 0.11 -0.27 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 1xl8 h GLN 56 Cb 0.45 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1xl8 h GLN 56 CO 0.02 0.97 0.21 -0.22 -1.93 0.00 0.00 178.83 177.88 1xl8 h LYS 57 N 1.01 1.08 0.06 1.69 3.64 -1.07 -1.27 116.57 121.71 1xl8 h LYS 57 Ca 0.21 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xl8 h LYS 57 Cb 0.39 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1xl8 h LYS 57 CO 0.00 0.94 -0.03 0.35 -2.27 0.00 0.00 179.45 178.44 1xl8 h PHE 58 N 1.02 -0.08 -0.91 1.91 3.57 -0.83 0.73 116.94 122.35 1xl8 h PHE 58 Ca 0.22 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1xl8 h PHE 58 Cb 0.31 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1xl8 h PHE 58 CO 0.02 0.10 0.58 0.37 -2.23 0.00 0.00 178.31 177.16 1xl8 h GLN 59 N -0.25 1.05 -0.00 1.11 4.15 -0.78 0.23 115.11 120.62 1xl8 h GLN 59 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1xl8 h GLN 59 Cb 0.22 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1xl8 h GLN 59 CO 0.01 0.70 -0.38 0.39 -1.93 0.00 0.00 178.83 177.62 1xl8 n GLU 60 N -4.55 0.38 0.00 1.69 1.02 -0.49 -3.67 120.64 115.01 1xl8 n GLU 60 Ca 0.13 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1xl8 n GLU 60 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1xl8 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xl8 n GLY 61 N 1.43 1.76 0.35 0.62 0.00 0.24 -4.87 105.19 104.73 1xl8 n GLY 61 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.94 1.95 -0.77 4.61 0.00 -1.75 -2.02 119.26 122.22 1xl8 h ALA 62 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xl8 h ALA 62 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1xl8 h ALA 62 CO 0.00 -0.09 0.36 0.78 0.00 0.00 0.00 179.25 180.29 1xl8 h GLY 63 N 0.48 1.18 0.98 0.00 0.00 -0.86 0.34 103.07 105.19 1xl8 h GLY 63 Ca 0.29 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1xl8 h GLY 63 CO -0.09 0.56 0.21 1.70 0.00 0.00 0.00 176.54 178.92 1xl8 h LYS 64 N 1.09 0.82 -0.30 4.80 1.63 -1.18 -0.76 116.57 122.66 1xl8 h LYS 64 Ca 0.26 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1xl8 h LYS 64 Cb 0.13 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1xl8 h LYS 64 CO -0.03 0.71 0.05 -0.09 -3.45 0.00 0.00 179.45 176.65 1xl8 h ARG 65 N 0.74 0.49 -0.85 1.90 2.43 -1.33 -0.31 114.38 117.46 1xl8 h ARG 65 Ca 0.18 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1xl8 h ARG 65 Cb 0.20 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1xl8 h ARG 65 CO -0.01 0.59 0.55 -0.07 -1.51 0.00 0.00 179.97 179.51 1xl8 h LEU 66 N 0.32 0.91 -0.81 3.80 3.38 -0.76 -1.72 115.31 120.43 1xl8 h LEU 66 Ca 0.09 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1xl8 h LEU 66 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1xl8 h LEU 66 CO 0.00 0.63 0.07 -0.74 0.09 0.00 0.00 178.44 178.50 1xl8 h HIS 67 N 1.07 1.02 -0.68 1.13 2.76 -0.80 -1.32 115.15 118.33 1xl8 h HIS 67 Ca 0.34 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1xl8 h HIS 67 Cb -0.01 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 1xl8 h HIS 67 CO -0.02 0.88 0.25 1.96 -1.30 0.00 0.00 177.93 179.70 1xl8 h GLN 68 N 0.91 1.02 -0.27 5.26 4.20 -0.45 -0.43 115.11 125.35 1xl8 h GLN 68 Ca 0.18 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1xl8 h GLN 68 Cb 0.43 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1xl8 h GLN 68 CO 0.01 0.85 -0.21 0.87 -0.67 0.00 0.00 178.83 179.68 1xl8 h LYS 69 N 0.99 0.49 -0.47 1.46 1.57 -0.86 -1.78 116.57 117.98 1xl8 h LYS 69 Ca 0.23 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1xl8 h LYS 69 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1xl8 h LYS 69 CO -0.02 0.68 0.05 1.25 -0.57 0.00 0.00 179.45 180.85 1xl8 h LEU 70 N 0.44 0.77 -0.74 2.94 5.85 -0.13 0.06 115.31 124.49 1xl8 h LEU 70 Ca 0.07 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1xl8 h LEU 70 Cb 0.62 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1xl8 h LEU 70 CO 0.04 0.85 0.47 -0.07 -0.34 0.00 0.00 178.44 179.40 1xl8 h LEU 71 N 0.66 0.87 -0.32 2.25 3.38 -0.83 0.56 115.31 121.88 1xl8 h LEU 71 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xl8 h LEU 71 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xl8 h LEU 71 CO 0.01 0.65 0.21 -0.08 0.09 0.00 0.00 178.44 179.32 1xl8 h GLU 72 N 1.01 0.42 -0.96 1.13 4.57 -1.02 -2.13 114.58 117.60 1xl8 h GLU 72 Ca 0.27 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1xl8 h GLU 72 Cb -0.08 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.37 1xl8 h GLU 72 CO -0.05 0.29 0.64 -0.09 -1.18 0.00 0.00 179.01 178.61 1xl8 h ARG 73 N 0.43 1.24 0.00 1.92 2.43 -0.25 -1.95 114.38 118.19 1xl8 h ARG 73 Ca 0.12 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1xl8 h ARG 73 Cb -0.03 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.23 1xl8 h ARG 73 CO -0.02 0.82 -0.10 0.00 -1.51 0.00 0.00 179.97 179.16 1xl8 h ALA 74 N 1.37 1.10 -0.92 2.80 0.00 -0.43 -3.04 119.26 120.14 1xl8 h ALA 74 Ca 0.36 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1xl8 h ALA 74 Cb -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1xl8 h ALA 74 CO -0.09 0.12 0.60 0.00 0.00 0.00 0.00 179.25 179.88 1xl8 h ARG 75 N 0.00 1.09 -0.94 0.00 3.08 -0.71 -2.42 114.38 114.49 1xl8 h ARG 75 Ca -0.00 -0.07 -0.53 0.00 0.07 0.00 0.00 59.98 59.45 1xl8 h ARG 75 Cb 0.44 -0.25 -0.29 0.00 0.08 0.00 0.00 29.97 29.95 1xl8 h ARG 75 CO 0.01 0.72 0.61 0.41 -1.07 0.00 0.00 179.97 180.66 1xl8 n GLY 76 N -1.39 4.93 3.26 0.04 0.00 -1.15 -4.94 105.19 105.94 1xl8 n GLY 76 Ca 0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.44 0.40 0.46 1.61 1.02 -0.91 -5.00 119.74 113.88 1xl8 s LYS 77 Ca 0.58 0.69 0.29 0.00 0.02 0.00 0.00 55.97 57.55 1xl8 s LYS 77 Cb 0.48 0.05 1.00 0.00 -0.52 0.00 0.00 37.83 38.84 1xl8 s LYS 77 CO 0.07 -0.12 1.83 0.00 -0.92 0.00 0.00 175.35 176.20 1xl8 h ARG 78 N 6.61 0.00 -1.77 1.68 3.08 -1.92 -3.39 114.38 118.67 1xl8 h ARG 78 Ca -0.34 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.48 1xl8 h ARG 78 Cb 1.18 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.94 1xl8 h ARG 78 CO 0.29 0.00 -0.57 1.21 -1.07 0.00 0.00 179.97 179.83 1xl8 s ASN 79 N -5.55 0.60 0.54 7.04 3.84 -1.26 -0.04 114.94 120.11 1xl8 s ASN 79 Ca 0.04 -0.67 0.30 0.00 0.21 0.00 0.00 52.86 52.75 1xl8 s ASN 79 Cb 0.08 0.97 1.54 0.00 -0.55 0.00 0.00 41.25 43.30 1xl8 s ASN 79 CO 0.56 -0.33 2.09 4.11 -2.79 0.00 0.00 177.10 180.73 1xl8 h TRP 80 N 7.93 0.00 0.05 0.43 5.08 -1.81 -3.21 115.95 124.41 1xl8 h TRP 80 Ca -0.06 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.60 1xl8 h TRP 80 Cb 1.11 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.23 1xl8 h TRP 80 CO 0.27 0.09 -1.70 1.25 -1.28 0.00 0.00 178.44 177.08 1xl8 h LEU 81 N 0.00 0.17 -0.67 0.11 5.85 -1.95 -3.43 115.31 115.39 1xl8 h LEU 81 Ca -0.00 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.46 1xl8 h LEU 81 Cb 0.34 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 1xl8 h LEU 81 CO 0.01 1.29 -0.36 1.21 -0.34 0.00 0.00 178.44 180.24 1xl8 n GLU 82 N -3.24 -0.26 -0.08 1.25 2.13 -1.21 -1.12 120.64 118.10 1xl8 n GLU 82 Ca -0.19 1.01 -0.14 0.00 0.66 0.00 0.00 57.16 58.50 1xl8 n GLU 82 Cb 1.04 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 31.22 1xl8 n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xl8 h GLU 83 N 0.00 0.82 -0.50 5.31 4.81 -1.83 -2.75 114.58 120.44 1xl8 h GLU 83 Ca 0.13 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1xl8 h GLU 83 Cb 0.30 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1xl8 h GLU 83 CO -0.63 1.13 0.32 -1.49 -0.73 0.00 0.00 179.01 177.60 1xl8 h TRP 84 N 0.58 0.63 0.37 0.92 6.55 -1.64 -2.39 115.95 120.97 1xl8 h TRP 84 Ca 0.02 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.86 1xl8 h TRP 84 Cb 1.06 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 29.15 1xl8 h TRP 84 CO 0.08 0.41 -0.18 2.35 -1.05 0.00 0.00 178.44 180.05 1xl8 h TRP 85 N 0.67 -0.46 -0.49 0.49 2.91 -1.13 0.11 115.95 118.05 1xl8 h TRP 85 Ca 0.18 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.29 1xl8 h TRP 85 Cb -0.06 0.15 -0.09 0.00 -0.51 0.00 0.00 29.16 28.66 1xl8 h TRP 85 CO -0.04 -0.28 -0.09 1.25 -1.03 0.00 0.00 178.44 178.25 1xl8 h LEU 86 N -0.50 -0.39 0.40 0.65 5.85 -1.40 0.21 115.31 120.12 1xl8 h LEU 86 Ca -0.05 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xl8 h LEU 86 Cb 0.39 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1xl8 h LEU 86 CO 0.08 -0.14 -0.19 0.78 -0.34 0.00 0.00 178.44 178.63 1xl8 h ASN 87 N 0.03 -0.46 -0.27 1.25 -0.26 -1.29 -0.48 115.58 114.10 1xl8 h ASN 87 Ca 0.24 -0.08 -0.09 0.00 -0.56 0.00 0.00 56.30 55.81 1xl8 h ASN 87 Cb 0.37 0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 1xl8 h ASN 87 CO -0.48 -0.02 -0.13 0.58 -1.06 0.00 0.00 177.43 176.32 1xl8 h VAL 88 N -1.05 1.25 0.00 2.81 2.07 -0.75 0.37 116.25 120.95 1xl8 h VAL 88 Ca -0.05 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 1xl8 h VAL 88 Cb 0.51 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1xl8 h VAL 88 CO 0.09 0.39 -0.90 0.00 0.02 0.00 0.00 177.57 177.17 1xl8 h ALA 89 N 1.23 0.66 0.00 1.67 0.00 -1.10 -3.43 119.26 118.30 1xl8 h ALA 89 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xl8 h ALA 89 Cb 0.58 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xl8 h ALA 89 CO 0.04 0.59 0.00 0.66 0.00 0.00 0.00 179.25 180.54 1xl8 n TYR 90 N -3.00 -1.04 0.02 0.00 4.01 -0.83 -4.85 117.16 111.47 1xl8 n TYR 90 Ca -0.03 0.18 0.04 0.00 -0.16 0.00 0.00 57.90 57.93 1xl8 n TYR 90 Cb 0.73 0.35 0.42 0.00 -0.31 0.00 0.00 39.34 40.53 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 0.44 -0.00 7.72 3.38 -0.86 -2.82 115.31 123.17 1xl8 h LEU 91 Ca 0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1xl8 h LEU 91 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1xl8 h LEU 91 CO 0.00 0.35 -0.64 0.44 0.09 0.00 0.00 178.44 178.68 1xl8 h ASP 92 N 0.52 0.00 -2.72 -0.43 3.32 -0.51 -1.74 116.42 114.86 1xl8 h ASP 92 Ca 0.14 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.65 1xl8 h ASP 92 Cb -0.02 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.60 1xl8 h ASP 92 CO -0.03 0.64 0.95 0.52 -1.72 0.00 0.00 179.24 179.60 1xl8 n VAL 93 N -3.26 0.21 0.46 -1.35 0.31 -1.07 -4.83 118.33 108.81 1xl8 n VAL 93 Ca 0.01 -0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.40 1xl8 n VAL 93 Cb 0.79 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 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 3.51 0.36 -1.26 5.55 5.12 -1.26 -4.81 116.66 123.88 1xl8 n ARG 94 Ca 0.15 -0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.75 1xl8 n ARG 94 Cb 0.34 -1.62 0.09 0.00 -1.16 0.00 0.00 32.46 30.12 1xl8 n ARG 94 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1xl8 s ILE 95 N -3.24 3.24 -0.20 0.55 -4.36 -1.26 -1.20 121.20 114.72 1xl8 s ILE 95 Ca 0.02 0.41 -0.31 0.00 -0.26 0.00 0.00 60.65 60.52 1xl8 s ILE 95 Cb 0.14 -2.87 -0.08 0.00 1.25 0.00 0.00 42.46 40.89 1xl8 s ILE 95 CO 0.81 -0.51 2.14 -2.65 0.24 0.00 0.00 174.94 174.97 1xl8 n PRO 96 N -3.49 1.88 0.09 0.37 -0.02 -1.26 -4.27 135.00 128.29 1xl8 n PRO 96 Ca 0.09 0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1xl8 n PRO 96 Cb 0.53 -2.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.05 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 13.16 0.16 -0.22 2.55 4.64 -1.86 -2.78 113.55 129.20 1xl8 h SER 97 Ca -0.40 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1xl8 h SER 97 Cb 1.26 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1xl8 h SER 97 CO 0.97 0.96 -0.37 -0.61 -0.87 0.00 0.00 176.83 176.91 1xl8 h GLN 98 N 0.06 -0.38 0.15 4.77 4.15 -1.84 0.94 115.11 122.96 1xl8 h GLN 98 Ca -0.03 0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.21 1xl8 h GLN 98 Cb 1.52 0.09 0.02 0.00 0.21 0.00 0.00 27.48 29.32 1xl8 h GLN 98 CO 0.13 -0.25 -0.90 1.25 -1.93 0.00 0.00 178.83 177.13 1xl8 h LEU 99 N -0.39 0.49 0.00 -2.39 5.85 -1.84 -3.29 115.31 113.73 1xl8 h LEU 99 Ca 0.11 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.88 1xl8 h LEU 99 Cb 0.58 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1xl8 h LEU 99 CO -0.43 1.43 -0.25 0.59 -0.34 0.00 0.00 178.44 179.44 1xl8 n ASN 100 N -4.09 0.42 0.00 1.25 3.02 -1.05 -4.54 115.26 110.27 1xl8 n ASN 100 Ca -0.15 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1xl8 n ASN 100 Cb 0.85 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.76 0.00 -1.66 2.41 0.31 0.17 -4.65 118.33 113.16 1xl8 n VAL 101 Ca 0.06 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.00 1xl8 n VAL 101 Cb 0.37 -0.24 0.04 0.00 -0.91 0.00 0.00 33.84 33.10 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 -1.78 1.53 -4.76 4.52 5.03 -0.30 -4.48 115.26 115.02 1xl8 n ASN 102 Ca 0.00 0.92 -0.28 0.00 0.87 0.00 0.00 54.58 56.09 1xl8 n ASN 102 Cb 0.21 -1.44 -0.06 0.00 -1.02 0.00 0.00 39.78 37.46 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 -1.38 3.11 0.22 3.10 -0.12 -0.66 -4.74 117.98 117.50 1xl8 s PHE 103 Ca 0.71 -0.00 0.06 0.00 -0.05 0.00 0.00 56.93 57.65 1xl8 s PHE 103 Cb -0.45 -1.53 -0.05 0.00 -0.63 0.00 0.00 43.02 40.36 1xl8 s PHE 103 CO 0.50 0.51 -0.08 0.14 -0.05 0.00 0.00 175.22 176.25 1xl8 s VAL 104 N -1.58 1.41 -0.26 -2.49 -7.23 -0.76 -0.59 120.40 108.90 1xl8 s VAL 104 Ca 0.29 -2.11 -0.18 0.00 -1.81 0.00 0.00 61.98 58.17 1xl8 s VAL 104 Cb -0.11 -2.18 0.07 0.00 0.56 0.00 0.00 36.38 34.72 1xl8 s VAL 104 CO 0.22 -0.48 0.67 -0.83 -0.31 0.00 0.00 175.10 174.36 1xl8 s GLY 105 N -3.31 -0.57 0.34 2.32 0.00 -0.66 -1.69 107.32 103.75 1xl8 s GLY 105 Ca 0.25 2.19 -0.26 0.00 0.00 0.00 0.00 44.72 46.90 1xl8 s GLY 105 CO 0.07 2.10 0.99 -4.14 0.00 0.00 0.00 173.10 172.13 1xl8 s PRO 106 N 1.19 4.47 -0.17 2.90 0.02 -1.23 -0.40 135.00 141.78 1xl8 s PRO 106 Ca -0.07 1.44 -0.28 0.00 0.02 0.00 0.00 61.00 62.12 1xl8 s PRO 106 Cb -0.05 -2.78 -0.01 0.00 0.02 0.00 0.00 34.50 31.68 1xl8 s PRO 106 CO -0.12 0.15 0.94 0.00 -0.33 0.00 0.00 177.00 177.64 1xl8 n PRO 108 N 5.50 0.62 0.12 0.00 -0.04 -1.26 -4.25 135.00 135.70 1xl8 n PRO 108 Ca 0.08 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1xl8 n PRO 108 Cb 0.48 -1.19 0.20 0.00 -0.04 0.00 0.00 33.50 32.95 1xl8 n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xl8 h HIS 109 N 1.09 0.00 0.00 0.54 3.86 -1.91 -3.19 115.15 115.54 1xl8 h HIS 109 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xl8 h HIS 109 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1xl8 h HIS 109 CO 0.08 0.00 0.00 1.97 0.86 0.00 0.00 177.93 180.84 1xl8 n PHE 110 N -2.53 0.00 0.30 2.45 1.16 -1.16 -1.41 117.46 116.27 1xl8 n PHE 110 Ca 0.03 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.73 1xl8 n PHE 110 Cb 0.48 0.00 0.15 0.00 -1.61 0.00 0.00 39.48 38.51 1xl8 n PHE 110 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1xl8 h GLU 111 N 0.00 0.00 0.00 3.97 4.81 -1.82 -3.40 114.58 118.14 1xl8 h GLU 111 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xl8 h GLU 111 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xl8 h GLU 111 CO 0.00 0.00 0.00 -2.39 -0.73 0.00 0.00 179.01 175.89 1xl8 n HIS 112 N -2.69 0.00 0.31 0.92 1.44 -1.02 -5.01 115.22 109.16 1xl8 n HIS 112 Ca 0.03 0.00 0.17 0.00 -2.01 0.00 0.00 57.72 55.91 1xl8 n HIS 112 Cb 0.51 0.00 0.77 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 -2.18 -1.40 0.05 -1.90 -3.36 116.97 108.18 1xl8 h TYR 113 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 1xl8 h TYR 113 Cb 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 37.32 1xl8 h TYR 113 CO 0.00 0.00 -0.65 0.91 -1.05 0.00 0.00 178.16 177.37 1xl8 n TRP 114 N -2.85 3.32 -1.55 4.88 8.01 -0.50 -4.91 117.44 123.83 1xl8 n TRP 114 Ca -0.00 -4.09 -0.31 0.00 -1.31 0.00 0.00 57.50 51.79 1xl8 n TRP 114 Cb 0.21 -0.53 0.06 0.00 -2.01 0.00 0.00 31.31 29.04 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 -2.47 2.75 0.02 -0.99 0.04 -1.26 -3.00 135.00 130.08 1xl8 s PRO 115 Ca 0.40 1.11 -0.36 0.00 0.04 0.00 0.00 61.00 62.19 1xl8 s PRO 115 Cb 0.17 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.60 1xl8 s PRO 115 CO -0.03 -1.26 1.57 0.00 0.04 0.00 0.00 177.00 177.32 1xl8 n ALA 116 N -3.03 0.16 -3.65 8.56 0.00 -1.26 -4.92 120.51 116.37 1xl8 n ALA 116 Ca 0.08 0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.94 1xl8 n ALA 116 Cb 0.53 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 1.70 0.57 0.56 0.00 3.52 0.82 -5.03 118.95 121.09 1xl8 s ARG 117 Ca 0.86 1.41 -0.21 0.00 -0.13 0.00 0.00 55.73 57.67 1xl8 s ARG 117 Cb -0.85 0.79 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 1xl8 s ARG 117 CO 0.48 -0.20 1.31 -1.21 -0.81 0.00 0.00 175.30 174.86 1xl8 s GLU 118 N 2.80 3.07 0.00 5.12 0.41 -1.26 -3.24 118.70 125.59 1xl8 s GLU 118 Ca -0.06 2.10 0.00 0.00 -0.41 0.00 0.00 54.97 56.60 1xl8 s GLU 118 Cb -0.12 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 1xl8 s GLU 118 CO -0.19 -1.20 0.00 0.41 -0.49 0.00 0.00 175.26 173.79 1xl8 n GLY 119 N 0.70 0.67 0.32 -1.39 0.00 -1.25 -4.90 105.19 99.34 1xl8 n GLY 119 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.61 0.00 -0.08 2.61 -2.24 -1.20 -4.76 114.28 106.00 1xl8 n THR 120 Ca 0.00 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 1xl8 n THR 120 Cb 0.00 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.58 -0.19 -0.27 -0.78 4.15 -1.82 -1.39 115.11 116.39 1xl8 h GLN 121 Ca 0.00 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 1xl8 h GLN 121 Cb 0.34 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1xl8 h GLN 121 CO 0.00 -0.13 -0.16 -0.07 -1.93 0.00 0.00 178.83 176.54 1xl8 h LEU 122 N -0.20 0.61 0.08 -2.39 3.38 -1.93 0.71 115.31 115.56 1xl8 h LEU 122 Ca 0.16 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xl8 h LEU 122 Cb 0.46 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xl8 h LEU 122 CO -0.44 0.90 -0.04 -0.33 0.09 0.00 0.00 178.44 178.63 1xl8 h GLU 123 N 0.31 -0.10 -0.72 1.13 5.08 -1.86 -0.87 114.58 117.55 1xl8 h GLU 123 Ca 0.06 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1xl8 h GLU 123 Cb 0.69 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1xl8 h GLU 123 CO 0.05 0.18 0.26 0.00 -1.00 0.00 0.00 179.01 178.50 1xl8 h ARG 124 N -0.38 1.09 -0.92 2.33 3.08 -1.33 -2.28 114.38 115.97 1xl8 h ARG 124 Ca -0.01 -0.21 0.12 0.00 0.07 0.00 0.00 59.98 59.95 1xl8 h ARG 124 Cb 0.33 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 1xl8 h ARG 124 CO 0.02 0.90 0.54 0.78 -1.07 0.00 0.00 179.97 181.14 1xl8 h GLY 125 N 1.10 1.49 -6.85 0.04 0.00 -0.61 -3.42 103.07 94.83 1xl8 h GLY 125 Ca 0.24 -0.35 -0.59 0.00 0.00 0.00 0.00 47.33 46.63 1xl8 h GLY 125 CO -0.02 0.10 1.62 -1.14 0.00 0.00 0.00 176.54 177.10 1xl8 n SER 126 N -4.71 1.51 0.00 0.19 3.41 -0.35 -4.63 113.62 109.03 1xl8 n SER 126 Ca 0.17 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1xl8 n SER 126 Cb 0.36 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 8.92 0.00 -0.17 1.04 4.77 -1.26 -4.52 117.00 125.78 1xl8 n LEU 129 Ca 0.48 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1xl8 n LEU 129 Cb 0.42 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1xl8 n LEU 129 CO 1.13 0.00 1.07 -0.25 -1.33 0.00 0.00 177.39 178.00 1xl8 h TRP 130 N 0.00 0.63 -0.44 -1.77 2.91 -1.92 0.45 115.95 115.82 1xl8 h TRP 130 Ca 0.00 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.94 1xl8 h TRP 130 Cb 0.00 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.42 1xl8 h TRP 130 CO 0.00 0.42 -0.06 0.45 -1.03 0.00 0.00 178.44 178.22 1xl8 h HIS 131 N 0.66 0.90 -0.77 2.65 3.86 -1.96 -2.10 115.15 118.39 1xl8 h HIS 131 Ca 0.18 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1xl8 h HIS 131 Cb -0.05 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 1xl8 h HIS 131 CO -0.04 0.90 0.36 -0.91 0.86 0.00 0.00 177.93 179.11 1xl8 h ASN 132 N 0.65 1.01 0.71 2.45 2.35 -1.90 -2.41 115.58 118.43 1xl8 h ASN 132 Ca 0.12 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1xl8 h ASN 132 Cb 0.58 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1xl8 h ASN 132 CO 0.03 0.86 -0.28 -0.07 -1.65 0.00 0.00 177.43 176.33 1xl8 h LEU 133 N 1.08 0.00 -0.53 1.61 3.38 -0.79 -1.85 115.31 118.21 1xl8 h LEU 133 Ca 0.26 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1xl8 h LEU 133 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xl8 h LEU 133 CO -0.03 0.28 -0.70 0.78 0.09 0.00 0.00 178.44 178.86 1xl8 h ASN 134 N 0.00 0.23 -0.52 -0.43 2.35 -1.01 -1.37 115.58 114.84 1xl8 h ASN 134 Ca -0.00 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.48 1xl8 h ASN 134 Cb 0.71 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 1xl8 h ASN 134 CO 0.04 0.86 -0.13 0.22 -1.65 0.00 0.00 177.43 176.76 1xl8 h TYR 135 N 0.13 1.14 -0.39 1.19 5.03 -0.91 -1.63 116.97 121.53 1xl8 h TYR 135 Ca -0.02 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 61.05 1xl8 h TYR 135 Cb 1.25 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.24 1xl8 h TYR 135 CO 0.02 1.07 0.26 2.35 -1.32 0.00 0.00 178.16 180.54 1xl8 h TRP 136 N 0.88 0.50 -0.83 -3.82 7.01 -1.07 -1.54 115.95 117.07 1xl8 h TRP 136 Ca 0.13 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.20 1xl8 h TRP 136 Cb 0.71 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.54 1xl8 h TRP 136 CO 0.05 0.31 0.51 1.96 -2.79 0.00 0.00 178.44 178.48 1xl8 h GLN 137 N 0.53 0.91 -0.54 2.65 4.20 -0.99 0.19 115.11 122.07 1xl8 h GLN 137 Ca 0.14 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1xl8 h GLN 137 Cb -0.06 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 1xl8 h GLN 137 CO -0.03 0.60 0.36 -0.07 -0.67 0.00 0.00 178.83 179.02 1xl8 h LEU 138 N 0.94 0.62 -0.28 1.46 3.38 -0.77 -1.89 115.31 118.77 1xl8 h LEU 138 Ca 0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1xl8 h LEU 138 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xl8 h LEU 138 CO -0.17 0.45 0.06 -0.07 0.09 0.00 0.00 178.44 178.81 1xl8 h LEU 139 N 0.74 0.43 -2.41 1.67 3.38 -0.47 0.61 115.31 119.26 1xl8 h LEU 139 Ca 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xl8 h LEU 139 Cb -0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1xl8 h LEU 139 CO -0.04 0.56 -0.03 0.03 0.09 0.00 0.00 178.44 179.04 1xl8 h ARG 140 N 0.28 0.00 -0.02 1.13 3.08 -0.76 0.57 114.38 118.66 1xl8 h ARG 140 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1xl8 h ARG 140 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xl8 h ARG 140 CO 0.00 0.03 -0.19 0.54 -1.07 0.00 0.00 179.97 179.28 1xl8 n ARG 141 N -3.43 1.77 -3.11 0.04 1.74 -0.73 0.02 116.66 112.96 1xl8 n ARG 141 Ca -0.02 -1.41 -0.22 0.00 -0.77 0.00 0.00 57.85 55.42 1xl8 n ARG 141 Cb 0.14 -1.47 0.04 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 0.62 -5.36 0.00 5.56 1.02 0.19 -4.88 120.64 117.78 1xl8 n GLU 142 Ca 0.13 0.87 0.12 0.00 -0.02 0.00 0.00 57.16 58.26 1xl8 n GLU 142 Cb 0.51 -5.70 0.21 0.00 -0.02 0.00 0.00 31.44 26.45 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 -4.11 1.35 -2.29 3.49 4.76 0.07 -1.60 118.16 119.83 1xl8 n LYS 143 Ca -0.09 -0.99 -0.43 0.00 -2.87 0.00 0.00 58.31 53.93 1xl8 n LYS 143 Cb 0.61 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 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 -2.33 4.20 0.28 -0.35 2.96 -1.24 -4.92 118.68 117.28 1xl8 s LEU 144 Ca 0.25 1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 55.70 1xl8 s LEU 144 Cb 0.19 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.21 1xl8 s LEU 144 CO 0.47 -0.84 1.11 -2.65 -1.32 0.00 0.00 176.35 173.12 1xl8 n PRO 145 N 6.83 1.53 -2.26 0.98 -0.02 -1.26 -3.83 135.00 136.97 1xl8 n PRO 145 Ca 0.15 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1xl8 n PRO 145 Cb 0.44 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.90 3.68 0.30 -1.45 1.01 -1.26 -4.96 120.40 116.82 1xl8 s VAL 146 Ca 0.60 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 1xl8 s VAL 146 Cb -0.69 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 1xl8 s VAL 146 CO 0.59 0.05 1.24 -1.00 0.00 0.00 0.00 175.10 175.98 1xl8 s HIS 147 N 1.69 3.24 0.01 5.22 3.76 -1.26 -4.94 115.29 123.00 1xl8 s HIS 147 Ca 0.63 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 57.02 1xl8 s HIS 147 Cb -0.32 -3.55 -0.01 0.00 1.11 0.00 0.00 32.58 29.81 1xl8 s HIS 147 CO 0.28 -1.45 -0.02 0.15 -0.85 0.00 0.00 174.74 172.84 1xl8 s LYS 148 N -1.50 0.18 -0.32 1.40 1.02 -1.26 -0.95 119.74 118.31 1xl8 s LYS 148 Ca 0.48 -0.22 -0.10 0.00 0.02 0.00 0.00 55.97 56.15 1xl8 s LYS 148 Cb -0.37 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1xl8 s LYS 148 CO 0.48 0.01 0.16 0.45 -0.92 0.00 0.00 175.35 175.53 1xl8 s SER 149 N -0.45 5.58 1.48 2.83 0.15 0.79 -4.80 113.70 119.27 1xl8 s SER 149 Ca -0.04 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1xl8 s SER 149 Cb -0.03 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1xl8 s SER 149 CO -0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1xl8 n GLY 150 N 4.98 2.27 0.13 9.45 0.00 -1.26 -0.40 105.19 120.36 1xl8 n GLY 150 Ca -0.13 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1xl8 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xl8 n ASN 151 N 10.11 1.60 -4.64 1.61 4.05 -1.26 -5.02 115.26 121.70 1xl8 n ASN 151 Ca 0.00 -2.43 -0.39 0.00 0.45 0.00 0.00 54.58 52.21 1xl8 n ASN 151 Cb 0.00 -0.25 -0.08 0.00 1.23 0.00 0.00 39.78 40.68 1xl8 n ASN 151 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1xl8 s THR 152 N -1.62 5.17 0.45 -0.44 2.01 0.46 -5.03 115.64 116.64 1xl8 s THR 152 Ca 0.15 0.69 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1xl8 s THR 152 Cb 0.13 -3.73 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 1xl8 s THR 152 CO 0.01 0.20 1.43 -2.65 -0.69 0.00 0.00 174.62 172.92 1xl8 n PRO 153 N 4.90 2.24 -4.35 4.92 -0.02 -1.26 -0.15 135.00 141.29 1xl8 n PRO 153 Ca -0.08 0.80 -0.24 0.00 -2.02 0.00 0.00 63.50 61.96 1xl8 n PRO 153 Cb 0.51 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 1xl8 n PRO 153 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xl8 s LEU 154 N -2.60 2.99 1.43 2.45 1.43 -0.12 -4.80 118.68 119.45 1xl8 s LEU 154 Ca 0.61 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 1xl8 s LEU 154 Cb -0.45 -1.53 0.37 0.00 0.03 0.00 0.00 46.19 44.61 1xl8 s LEU 154 CO 0.58 0.03 0.93 -0.62 0.23 0.00 0.00 176.35 177.50 1xl8 s ASP 155 N -3.51 -1.10 0.00 2.29 2.15 0.13 -4.66 116.67 111.97 1xl8 s ASP 155 Ca 0.30 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1xl8 s ASP 155 Cb -0.06 -1.14 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 1xl8 s ASP 155 CO 0.18 -5.38 0.00 -3.20 -0.17 0.00 0.00 175.17 166.60 1xl8 n ASN 157 N -5.64 0.00 0.28 -0.34 2.85 -1.26 -4.95 115.26 106.20 1xl8 n ASN 157 Ca 0.13 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.76 1xl8 n ASN 157 Cb 0.60 0.00 0.93 0.00 1.24 0.00 0.00 39.78 42.55 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 -1.22 115.11 117.33 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 0.00 0.00 0.74 -0.67 0.00 0.00 178.83 178.90 1xl8 h PHE 159 N 0.00 0.00 0.00 2.96 -1.00 -1.96 -3.31 116.94 113.62 1xl8 h PHE 159 Ca 0.02 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1xl8 h PHE 159 Cb 0.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1xl8 h PHE 159 CO 0.00 0.00 -0.01 0.54 -1.61 0.00 0.00 178.31 177.23 1xl8 n ARG 160 N -2.63 0.72 0.00 1.51 1.74 -0.46 -4.50 116.66 113.04 1xl8 n ARG 160 Ca 0.01 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1xl8 n ARG 160 Cb 0.21 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.83 0.00 -4.84 0.55 7.94 -1.25 -4.65 117.00 116.58 1xl8 n LEU 162 Ca 0.04 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.64 1xl8 n LEU 162 Cb 0.35 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.25 1xl8 n LEU 162 CO 0.02 0.00 -0.21 -0.36 -1.11 0.00 0.00 177.39 175.74 1xl8 s PHE 163 N 0.00 3.32 -1.56 1.96 0.08 -1.26 -4.35 117.98 116.17 1xl8 s PHE 163 Ca 0.00 0.13 -0.09 0.00 0.12 0.00 0.00 56.93 57.09 1xl8 s PHE 163 Cb 0.00 -1.66 0.08 0.00 -0.57 0.00 0.00 43.02 40.87 1xl8 s PHE 163 CO 0.00 0.54 0.57 0.43 -0.10 0.00 0.00 175.22 176.66 1xl8 n SER 164 N 0.25 -1.69 -4.01 1.36 7.64 0.12 -4.20 113.62 113.10 1xl8 n SER 164 Ca -0.07 -1.03 -0.22 0.00 1.01 0.00 0.00 58.87 58.56 1xl8 n SER 164 Cb 0.52 -2.81 -0.16 0.00 -1.01 0.00 0.00 64.21 60.75 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 -3.67 0.91 -0.07 0.44 2.01 -1.26 -1.08 115.64 112.93 1xl8 s THR 165 Ca 0.36 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 1xl8 s THR 165 Cb -0.20 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1xl8 s THR 165 CO 0.92 0.29 0.37 0.00 -0.69 0.00 0.00 174.62 175.51 1xl8 s LYS 167 N -0.72 3.79 -0.08 0.00 2.20 -0.12 -4.56 119.74 120.25 1xl8 s LYS 167 Ca -0.08 0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.98 1xl8 s LYS 167 Cb -0.04 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.86 1xl8 s LYS 167 CO 0.03 0.03 -0.11 0.08 -0.36 0.00 0.00 175.35 175.02 1xl8 s VAL 168 N -2.27 1.13 0.42 4.02 1.01 0.72 -4.82 120.40 120.62 1xl8 s VAL 168 Ca 0.51 -0.45 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 1xl8 s VAL 168 Cb -0.10 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.14 1xl8 s VAL 168 CO 0.29 0.36 1.21 -2.16 0.00 0.00 0.00 175.10 174.80 1xl8 s PRO 169 N 0.90 3.92 0.23 2.72 0.04 -1.26 -1.31 135.00 140.23 1xl8 s PRO 169 Ca -0.10 1.92 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1xl8 s PRO 169 Cb -0.15 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1xl8 s PRO 169 CO 0.01 -0.46 -0.08 0.20 0.04 0.00 0.00 177.00 176.71 1xl8 s GLY 170 N -1.08 1.54 0.21 0.56 0.00 -1.24 -4.74 107.32 102.56 1xl8 s GLY 170 Ca 0.59 -1.74 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 1xl8 s GLY 170 CO 0.41 -1.74 1.80 -2.22 0.00 0.00 0.00 173.10 171.34 1xl8 h ILE 171 N 2.48 1.25 0.00 0.90 1.08 -1.89 -3.38 117.51 117.94 1xl8 h ILE 171 Ca -0.39 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 1xl8 h ILE 171 Cb 1.22 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1xl8 h ILE 171 CO 0.64 0.31 -0.77 0.35 -0.69 0.00 0.00 178.15 177.99 1xl8 n THR 172 N -4.34 0.00 -3.79 -0.27 -2.24 -1.26 -4.61 114.28 97.77 1xl8 n THR 172 Ca 0.07 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.70 1xl8 n THR 172 Cb 0.15 -0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.74 0.01 0.89 -0.78 3.52 -1.26 -4.59 118.95 115.00 1xl8 s ARG 173 Ca 0.00 0.18 -0.13 0.00 -0.13 0.00 0.00 55.73 55.65 1xl8 s ARG 173 Cb 0.00 -0.30 0.16 0.00 -1.56 0.00 0.00 34.95 33.25 1xl8 s ARG 173 CO 0.00 -0.17 1.24 -0.51 -0.81 0.00 0.00 175.30 175.04 1xl8 s ASP 174 N 1.12 3.63 0.06 -2.12 1.01 -0.65 -3.72 116.67 116.00 1xl8 s ASP 174 Ca -0.08 0.30 -0.05 0.00 0.71 0.00 0.00 52.55 53.43 1xl8 s ASP 174 Cb -0.13 -0.51 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 1xl8 s ASP 174 CO -0.03 -2.40 0.08 -0.94 0.21 0.00 0.00 175.17 172.09 1xl8 s SER 175 N -4.79 0.28 0.00 0.27 1.04 -0.43 -4.87 113.70 105.21 1xl8 s SER 175 Ca 0.70 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1xl8 s SER 175 Cb -0.06 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1xl8 s SER 175 CO 0.51 -0.63 0.00 -0.38 0.98 0.00 0.00 173.24 173.72 1xl8 n ILE 176 N 0.20 0.00 0.00 -1.02 2.08 -1.26 -0.20 119.36 119.16 1xl8 n ILE 176 Ca -0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1xl8 n ILE 176 Cb 0.61 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 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 -1.21 0.00 -0.60 4.38 5.15 -1.26 -4.99 115.26 116.73 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 0.03 0.00 -0.53 0.00 0.00 39.78 39.28 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 -2.10 1.20 4.01 -0.24 -4.99 117.16 115.04 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 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1xl8 n TYR 179 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1xl8 s PHE 180 N -2.19 2.64 -0.07 -0.72 5.36 -1.24 -4.56 117.98 117.21 1xl8 s PHE 180 Ca 0.20 1.49 -0.14 0.00 -0.96 0.00 0.00 56.93 57.52 1xl8 s PHE 180 Cb 0.17 -3.50 0.03 0.00 -0.34 0.00 0.00 43.02 39.38 1xl8 s PHE 180 CO 0.45 -1.97 0.33 0.15 -1.46 0.00 0.00 175.22 172.72 1xl8 s LYS 181 N -2.87 0.54 0.77 10.12 1.02 -1.26 -5.05 119.74 123.01 1xl8 s LYS 181 Ca 0.68 0.13 -0.11 0.00 0.02 0.00 0.00 55.97 56.69 1xl8 s LYS 181 Cb -0.32 0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.30 1xl8 s LYS 181 CO 0.37 -0.12 1.14 0.95 -0.92 0.00 0.00 175.35 176.77 1xl8 s THR 182 N -0.60 2.46 0.45 2.17 -4.23 -1.26 -4.66 115.64 109.96 1xl8 s THR 182 Ca -0.07 0.11 0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1xl8 s THR 182 Cb -0.04 -3.14 0.29 0.00 1.34 0.00 0.00 72.50 70.95 1xl8 s THR 182 CO 0.02 -0.18 2.05 -0.33 -0.54 0.00 0.00 174.62 175.65 1xl8 h GLU 183 N -0.90 0.36 0.00 3.99 5.08 -0.62 -1.10 114.58 121.39 1xl8 h GLU 183 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1xl8 h GLU 183 Cb 1.31 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xl8 h GLU 183 CO 0.65 0.24 0.00 0.77 -1.00 0.00 0.00 179.01 179.67 1xl8 h SER 184 N 0.37 0.00 0.15 1.42 0.02 -1.92 -3.09 113.55 110.50 1xl8 h SER 184 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1xl8 h SER 184 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xl8 h SER 184 CO -0.04 0.00 -1.72 -0.62 -1.14 0.00 0.00 176.83 173.32 1xl8 n GLU 185 N -2.77 0.57 0.00 3.45 1.02 -0.46 -5.09 120.64 117.35 1xl8 n GLU 185 Ca 0.02 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1xl8 n GLU 185 Cb 0.32 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1xl8 n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xl8 n GLY 186 N 1.28 0.76 3.77 0.62 0.00 -0.95 -4.94 105.19 105.73 1xl8 n GLY 186 Ca -0.02 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.58 3.33 0.02 1.61 5.65 -1.26 -4.45 115.29 117.61 1xl8 s HIS 187 Ca 0.00 1.65 0.06 0.00 0.25 0.00 0.00 55.06 57.02 1xl8 s HIS 187 Cb 0.00 -3.23 -0.02 0.00 -1.18 0.00 0.00 32.58 28.15 1xl8 s HIS 187 CO 0.00 -0.74 -0.19 0.00 -0.65 0.00 0.00 174.74 173.16 1xl8 n PRO 189 N 2.21 0.38 -0.25 0.00 -0.02 -1.26 -4.92 135.00 131.13 1xl8 n PRO 189 Ca -0.16 0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.57 1xl8 n PRO 189 Cb 0.54 -2.22 0.09 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.72 1.17 -4.36 3.45 -2.24 -1.26 -4.78 114.28 103.54 1xl8 n THR 190 Ca 0.13 -1.43 -0.24 0.00 -2.27 0.00 0.00 64.05 60.24 1xl8 n THR 190 Cb 0.50 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.78 2.54 0.28 4.78 -3.43 -1.26 -0.81 115.29 115.60 1xl8 s HIS 191 Ca 0.20 -0.26 0.12 0.00 -0.80 0.00 0.00 55.06 54.32 1xl8 s HIS 191 Cb 0.18 -1.13 -0.05 0.00 -1.43 0.00 0.00 32.58 30.15 1xl8 s HIS 191 CO 0.02 0.64 -0.18 0.96 -2.00 0.00 0.00 174.74 174.18 1xl8 s ILE 192 N -2.32 2.57 -0.09 -5.38 -4.36 -0.96 -0.36 121.20 110.31 1xl8 s ILE 192 Ca 0.30 -2.37 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1xl8 s ILE 192 Cb -0.06 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 1xl8 s ILE 192 CO 0.18 -0.40 -0.11 0.00 0.24 0.00 0.00 174.94 174.84 1xl8 s ALA 193 N -2.49 2.75 -0.10 2.27 0.00 -1.03 -2.96 121.76 120.20 1xl8 s ALA 193 Ca 0.30 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1xl8 s ALA 193 Cb -0.05 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1xl8 s ALA 193 CO 0.15 0.44 -0.21 0.08 0.00 0.00 0.00 175.76 176.22 1xl8 s VAL 194 N -0.34 2.31 -0.15 0.00 1.01 0.42 0.05 120.40 123.70 1xl8 s VAL 194 Ca 0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1xl8 s VAL 194 Cb -0.13 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1xl8 s VAL 194 CO 0.02 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 174.89 1xl8 s LEU 195 N 0.22 3.31 -0.14 3.92 1.43 0.35 -0.51 118.68 127.26 1xl8 s LEU 195 Ca -0.14 -0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1xl8 s LEU 195 Cb -0.17 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1xl8 s LEU 195 CO 0.07 0.19 0.34 0.00 0.23 0.00 0.00 176.35 177.19 1xl8 n ARG 197 N 4.26 -0.44 -1.13 0.00 1.74 -1.26 -0.10 116.66 119.73 1xl8 n ARG 197 Ca -0.24 -0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 56.78 1xl8 n ARG 197 Cb 0.54 -2.13 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 1xl8 n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xl8 n GLY 198 N -2.02 0.63 3.44 -0.13 0.00 -1.22 -1.07 105.19 104.83 1xl8 n GLY 198 Ca -0.13 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.87 1.57 -0.01 1.61 0.52 0.86 -1.55 118.95 120.09 1xl8 s ARG 199 Ca 0.00 -1.79 0.02 0.00 -0.52 0.00 0.00 55.73 53.44 1xl8 s ARG 199 Cb 0.00 -1.25 -0.00 0.00 0.52 0.00 0.00 34.95 34.22 1xl8 s ARG 199 CO 0.00 0.08 -0.06 0.00 0.02 0.00 0.00 175.30 175.34 1xl8 s ALA 200 N -2.94 0.51 0.15 2.13 0.00 -1.26 -1.05 121.76 119.31 1xl8 s ALA 200 Ca 0.29 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1xl8 s ALA 200 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1xl8 s ALA 200 CO 0.12 0.12 -0.04 -0.06 0.00 0.00 0.00 175.76 175.90 1xl8 s PHE 201 N -0.07 1.14 0.03 0.00 0.40 0.33 -0.23 117.98 119.58 1xl8 s PHE 201 Ca 0.01 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.38 1xl8 s PHE 201 Cb -0.03 -0.64 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 1xl8 s PHE 201 CO -0.00 -0.12 0.05 0.14 0.70 0.00 0.00 175.22 175.99 1xl8 s VAL 202 N -3.56 0.13 -0.05 -0.44 -7.23 -0.14 -0.44 120.40 108.66 1xl8 s VAL 202 Ca 0.19 -1.10 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 1xl8 s VAL 202 Cb 0.05 -0.77 0.07 0.00 0.56 0.00 0.00 36.38 36.29 1xl8 s VAL 202 CO 0.01 -0.60 0.69 0.72 -0.31 0.00 0.00 175.10 175.61 1xl8 s PHE 203 N -2.36 -0.64 0.30 2.82 -0.71 -1.16 -0.68 117.98 115.54 1xl8 s PHE 203 Ca -0.07 1.09 -0.28 0.00 -1.04 0.00 0.00 56.93 56.63 1xl8 s PHE 203 Cb -0.03 0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 42.10 1xl8 s PHE 203 CO -0.04 -0.60 1.03 0.34 -1.34 0.00 0.00 175.22 174.61 1xl8 s ASP 204 N -1.21 7.28 0.00 1.98 -1.08 -1.26 -2.25 116.67 120.12 1xl8 s ASP 204 Ca -0.10 2.09 0.23 0.00 -0.52 0.00 0.00 52.55 54.25 1xl8 s ASP 204 Cb -0.00 -2.61 0.72 0.00 -1.46 0.00 0.00 42.92 39.57 1xl8 s ASP 204 CO 0.09 -0.12 1.54 1.33 0.52 0.00 0.00 175.17 178.53 1xl8 n VAL 205 N 0.94 0.18 -5.09 1.11 0.24 0.01 -4.88 118.33 110.85 1xl8 n VAL 205 Ca 0.00 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.34 61.58 1xl8 n VAL 205 Cb 0.47 0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.70 2.40 -0.17 1.34 1.43 -1.26 -1.19 118.68 119.53 1xl8 s LEU 206 Ca 0.34 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1xl8 s LEU 206 Cb 0.19 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 45.00 1xl8 s LEU 206 CO 0.29 0.32 -0.08 -2.28 0.23 0.00 0.00 176.35 174.83 1xl8 s HIS 207 N -0.58 1.92 -1.50 0.29 5.65 0.39 -4.75 115.29 116.70 1xl8 s HIS 207 Ca 0.09 -1.19 -0.11 0.00 0.25 0.00 0.00 55.06 54.09 1xl8 s HIS 207 Cb -0.11 -1.43 0.07 0.00 -1.18 0.00 0.00 32.58 29.94 1xl8 s HIS 207 CO 0.00 -0.64 0.88 0.39 -0.65 0.00 0.00 174.74 174.73 1xl8 n GLU 208 N 4.82 -5.10 0.00 2.88 1.02 -1.26 -2.07 120.64 120.93 1xl8 n GLU 208 Ca -0.13 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1xl8 n GLU 208 Cb 0.48 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 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 -1.67 2.92 3.62 0.62 0.00 -1.26 -5.03 105.19 104.39 1xl8 n GLY 209 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.61 4.37 0.51 0.00 2.96 -1.26 -0.46 118.68 121.18 1xl8 s LEU 211 Ca 0.31 2.64 -0.21 0.00 -0.22 0.00 0.00 54.13 56.65 1xl8 s LEU 211 Cb -0.06 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 1xl8 s LEU 211 CO 0.19 -0.81 1.12 0.27 -1.32 0.00 0.00 176.35 175.80 1xl8 s ILE 212 N 0.93 3.30 0.61 6.68 -4.36 -0.34 -4.84 121.20 123.18 1xl8 s ILE 212 Ca 0.68 0.85 -0.03 0.00 -0.26 0.00 0.00 60.65 61.90 1xl8 s ILE 212 Cb -0.44 -3.37 0.04 0.00 1.25 0.00 0.00 42.46 39.94 1xl8 s ILE 212 CO 0.34 -0.13 0.88 0.42 0.24 0.00 0.00 174.94 176.69 1xl8 s THR 213 N -1.75 2.70 0.25 8.37 -4.23 -1.26 -4.82 115.64 114.90 1xl8 s THR 213 Ca 0.69 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 1xl8 s THR 213 Cb -0.23 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.75 1xl8 s THR 213 CO 0.27 -0.07 1.71 -0.65 -0.54 0.00 0.00 174.62 175.34 1xl8 h PRO 214 N -0.21 0.34 -0.97 3.99 0.11 -1.94 0.37 132.00 133.68 1xl8 h PRO 214 Ca -0.44 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1xl8 h PRO 214 Cb 1.30 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1xl8 h PRO 214 CO 0.57 0.23 0.63 -1.35 -0.21 0.00 0.00 178.00 177.86 1xl8 h PRO 215 N 0.35 1.16 -0.21 1.05 0.11 -1.88 0.54 132.00 133.12 1xl8 h PRO 215 Ca 0.42 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.29 1xl8 h PRO 215 Cb 0.68 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1xl8 h PRO 215 CO -0.46 0.77 -0.55 0.93 -0.21 0.00 0.00 178.00 178.49 1xl8 h GLU 216 N 1.20 0.64 -0.33 1.05 5.08 -1.20 -1.97 114.58 119.04 1xl8 h GLU 216 Ca 0.40 -0.40 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1xl8 h GLU 216 Cb 0.05 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1xl8 h GLU 216 CO -0.14 1.02 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.46 1xl8 h LEU 217 N 0.49 0.79 -1.06 1.33 3.38 0.32 -2.49 115.31 118.06 1xl8 h LEU 217 Ca 0.01 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1xl8 h LEU 217 Cb 1.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1xl8 h LEU 217 CO 0.11 1.06 0.30 0.25 0.09 0.00 0.00 178.44 180.25 1xl8 h LEU 218 N 0.62 0.87 -0.55 1.67 5.85 0.22 -0.70 115.31 123.30 1xl8 h LEU 218 Ca 0.06 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1xl8 h LEU 218 Cb 0.89 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1xl8 h LEU 218 CO 0.08 0.76 0.01 -0.09 -0.34 0.00 0.00 178.44 178.85 1xl8 h ARG 219 N 0.95 0.96 -0.34 1.25 2.43 -1.09 -0.83 114.38 117.71 1xl8 h ARG 219 Ca 0.23 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1xl8 h ARG 219 Cb 0.13 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1xl8 h ARG 219 CO -0.03 0.97 0.18 1.96 -1.51 0.00 0.00 179.97 181.54 1xl8 h GLN 220 N 0.84 0.48 -0.40 0.20 1.08 -0.91 -0.43 115.11 115.98 1xl8 h GLN 220 Ca 0.16 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.17 1xl8 h GLN 220 Cb 0.53 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1xl8 h GLN 220 CO 0.03 0.42 -0.24 -0.07 -0.95 0.00 0.00 178.83 178.01 1xl8 h LEU 221 N 0.42 0.83 -0.26 1.46 3.38 -1.08 -2.12 115.31 117.96 1xl8 h LEU 221 Ca 0.12 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1xl8 h LEU 221 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xl8 h LEU 221 CO -0.02 1.03 0.03 0.74 0.09 0.00 0.00 178.44 180.32 1xl8 h THR 222 N 0.70 1.23 -0.30 0.22 2.02 -1.00 0.36 112.91 116.15 1xl8 h THR 222 Ca 0.09 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.54 1xl8 h THR 222 Cb 0.77 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 1xl8 h THR 222 CO 0.06 0.25 -0.08 0.22 0.37 0.00 0.00 175.52 176.34 1xl8 h TYR 223 N 0.23 -0.18 0.10 3.16 5.03 -0.96 0.20 116.97 124.55 1xl8 h TYR 223 Ca 0.08 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1xl8 h TYR 223 Cb 0.34 0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.75 1xl8 h TYR 223 CO 0.02 -0.14 -0.05 0.82 -1.32 0.00 0.00 178.16 177.49 1xl8 h ILE 224 N -0.01 0.94 -0.11 1.81 2.04 -1.08 -0.87 117.51 120.23 1xl8 h ILE 224 Ca 0.15 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1xl8 h ILE 224 Cb 0.24 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1xl8 h ILE 224 CO -0.32 0.04 -0.03 -0.74 0.00 0.00 0.00 178.15 177.10 1xl8 h HIS 225 N -0.20 -0.07 -0.17 1.37 2.76 0.07 -1.93 115.15 116.98 1xl8 h HIS 225 Ca -0.01 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1xl8 h HIS 225 Cb 0.16 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1xl8 h HIS 225 CO -0.05 -0.05 -0.05 0.87 -1.30 0.00 0.00 177.93 177.34 1xl8 h LYS 226 N -0.01 -0.02 -0.89 5.26 1.79 -0.53 0.03 116.57 122.21 1xl8 h LYS 226 Ca 0.05 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.59 1xl8 h LYS 226 Cb 0.09 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.68 1xl8 h LYS 226 CO -0.11 -0.01 0.55 -0.22 -1.08 0.00 0.00 179.45 178.58 1xl8 h LYS 227 N -0.02 0.96 0.13 3.15 3.64 -0.89 -3.09 116.57 120.45 1xl8 h LYS 227 Ca 0.09 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.13 1xl8 h LYS 227 Cb 0.15 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1xl8 h LYS 227 CO -0.19 0.64 -1.30 0.00 -2.27 0.00 0.00 179.45 176.33 1xl8 h SER 229 N 0.07 0.87 -0.72 0.00 4.64 -0.91 -2.19 113.55 115.32 1xl8 h SER 229 Ca -0.16 0.03 -0.31 0.00 -0.47 0.00 0.00 61.79 60.88 1xl8 h SER 229 Cb 1.98 -0.14 -0.19 0.00 -0.31 0.00 0.00 62.40 63.74 1xl8 h SER 229 CO 0.20 0.49 0.40 0.59 -0.87 0.00 0.00 176.83 177.63 1xl8 n ASN 230 N -4.57 3.93 -3.93 4.97 3.02 -1.23 -4.93 115.26 112.51 1xl8 n ASN 230 Ca 0.17 -3.16 -0.08 0.00 -0.03 0.00 0.00 54.58 51.47 1xl8 n ASN 230 Cb 0.33 -0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 1xl8 n ASN 230 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xl8 s GLU 231 N -2.61 0.82 0.63 3.52 2.02 -0.82 -5.13 118.70 117.14 1xl8 s GLU 231 Ca 0.46 -1.06 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 1xl8 s GLU 231 Cb 0.38 0.31 -0.01 0.00 0.10 0.00 0.00 34.13 34.90 1xl8 s GLU 231 CO 0.10 -0.25 1.16 -1.25 0.02 0.00 0.00 175.26 175.04 1xl8 s PRO 232 N -3.89 2.83 0.11 0.39 0.04 -1.26 -4.92 135.00 128.29 1xl8 s PRO 232 Ca 0.07 1.63 -0.34 0.00 0.04 0.00 0.00 61.00 62.40 1xl8 s PRO 232 Cb 0.06 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.53 1xl8 s PRO 232 CO -0.09 -1.27 1.62 0.28 0.04 0.00 0.00 177.00 177.58 1xl8 n VAL 233 N -2.02 0.10 -0.36 -0.36 0.31 -1.26 -4.97 118.33 109.77 1xl8 n VAL 233 Ca 0.12 -0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.22 1xl8 n VAL 233 Cb 0.51 -1.57 0.20 0.00 -0.91 0.00 0.00 33.84 32.07 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 3.55 -3.56 0.01 2.92 0.00 -0.23 -4.87 105.19 103.01 1xl8 n GLY 234 Ca 0.18 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.89 1xl8 n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xl8 n PRO 235 N -4.44 0.01 -3.89 1.61 -0.04 -1.22 -4.71 135.00 122.32 1xl8 n PRO 235 Ca 0.10 0.46 -0.26 0.00 -0.04 0.00 0.00 63.50 63.76 1xl8 n PRO 235 Cb 0.42 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1xl8 n PRO 235 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xl8 n SER 236 N -1.56 -1.43 -0.17 3.54 7.64 -0.60 -4.86 113.62 116.18 1xl8 n SER 236 Ca 0.01 -0.92 0.14 0.00 1.01 0.00 0.00 58.87 59.11 1xl8 n SER 236 Cb 0.04 -3.45 0.48 0.00 -1.01 0.00 0.00 64.21 60.27 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 -1.85 0.83 -0.98 0.44 1.08 -1.88 -2.03 117.51 113.13 1xl8 h ILE 237 Ca -0.61 -0.16 0.22 0.00 -0.39 0.00 0.00 64.86 63.92 1xl8 h ILE 237 Cb 1.37 0.31 -0.12 0.00 -3.07 0.00 0.00 36.82 35.31 1xl8 h ILE 237 CO 0.63 0.09 0.56 0.00 -0.69 0.00 0.00 178.15 178.74 1xl8 h ALA 238 N 1.64 1.69 -0.21 1.87 0.00 -1.84 -0.57 119.26 121.84 1xl8 h ALA 238 Ca 0.36 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.45 1xl8 h ALA 238 Cb 0.75 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1xl8 h ALA 238 CO -0.12 -0.22 0.28 0.00 0.00 0.00 0.00 179.25 179.19 1xl8 h ALA 239 N 1.70 1.79 0.00 0.00 0.00 -0.90 -0.25 119.26 121.61 1xl8 h ALA 239 Ca 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 1xl8 h ALA 239 Cb 1.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xl8 h ALA 239 CO -0.46 -0.39 -0.12 -0.07 0.00 0.00 0.00 179.25 178.22 1xl8 h LEU 240 N 0.00 0.00 0.00 0.00 3.38 -1.27 -2.15 115.31 115.27 1xl8 h LEU 240 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xl8 h LEU 240 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1xl8 h LEU 240 CO -0.00 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.00 1xl8 n THR 241 N -3.61 0.78 1.31 0.22 -2.24 -0.10 -2.28 114.28 108.36 1xl8 n THR 241 Ca -0.02 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.09 1xl8 n THR 241 Cb 0.24 -0.94 0.36 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.40 1.86 -4.81 3.42 3.41 -0.81 -4.56 113.62 110.75 1xl8 n SER 242 Ca 0.05 -1.56 -0.28 0.00 -0.26 0.00 0.00 58.87 56.82 1xl8 n SER 242 Cb 0.15 0.04 0.10 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.09 1.84 0.36 4.33 0.41 -0.96 -4.71 118.70 117.87 1xl8 s GLU 243 Ca 0.33 -0.03 -0.28 0.00 -0.41 0.00 0.00 54.97 54.57 1xl8 s GLU 243 Cb 0.20 -1.98 -0.11 0.00 -1.78 0.00 0.00 34.13 30.46 1xl8 s GLU 243 CO 0.36 -1.63 1.46 -1.91 -0.49 0.00 0.00 175.26 173.05 1xl8 n GLU 244 N -3.30 2.56 -0.20 1.61 0.00 -1.26 -4.29 120.64 115.75 1xl8 n GLU 244 Ca 0.09 0.90 0.01 0.00 0.00 0.00 0.00 57.16 58.16 1xl8 n GLU 244 Cb 0.61 -2.61 0.11 0.00 0.00 0.00 0.00 31.44 29.55 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 3.15 0.26 -0.32 5.31 2.47 -1.34 -1.61 114.38 122.30 1xl8 h ARG 245 Ca -0.49 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.12 1xl8 h ARG 245 Cb 1.25 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1xl8 h ARG 245 CO 0.66 0.17 -0.21 1.15 0.56 0.00 0.00 179.97 182.30 1xl8 h THR 246 N 0.27 1.26 -0.42 2.04 2.02 -1.78 -0.62 112.91 115.68 1xl8 h THR 246 Ca 0.32 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 1xl8 h THR 246 Cb 0.48 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1xl8 h THR 246 CO -0.41 0.41 0.07 0.03 0.37 0.00 0.00 175.52 175.99 1xl8 h ARG 247 N 0.53 0.70 -0.54 6.66 3.08 -1.76 -0.81 114.38 122.24 1xl8 h ARG 247 Ca 0.08 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1xl8 h ARG 247 Cb 0.65 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1xl8 h ARG 247 CO 0.05 0.74 0.16 2.35 -1.07 0.00 0.00 179.97 182.19 1xl8 h TRP 248 N 0.55 0.89 -0.73 3.04 -0.00 -1.15 0.38 115.95 118.94 1xl8 h TRP 248 Ca 0.13 -0.10 0.05 0.00 -0.00 0.00 0.00 58.89 58.98 1xl8 h TRP 248 Cb 0.38 -0.25 -0.05 0.00 -0.00 0.00 0.00 29.16 29.23 1xl8 h TRP 248 CO 0.03 0.76 0.43 0.00 -0.00 0.00 0.00 178.44 179.66 1xl8 h ALA 249 N 1.03 0.98 -0.33 2.65 0.00 -0.83 0.23 119.26 122.99 1xl8 h ALA 249 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1xl8 h ALA 249 Cb 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xl8 h ALA 249 CO -0.00 0.14 -0.40 0.87 0.00 0.00 0.00 179.25 179.86 1xl8 h LYS 250 N 0.80 0.84 -0.55 0.00 1.57 -0.69 -1.98 116.57 116.56 1xl8 h LYS 250 Ca 0.32 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1xl8 h LYS 250 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xl8 h LYS 250 CO -0.17 1.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.83 1xl8 h ALA 251 N 0.72 0.75 -0.18 3.86 0.00 -0.49 -1.15 119.26 122.76 1xl8 h ALA 251 Ca 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xl8 h ALA 251 Cb 0.99 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1xl8 h ALA 251 CO 0.10 0.57 0.11 -0.09 0.00 0.00 0.00 179.25 179.94 1xl8 h ARG 252 N 0.86 0.25 -0.95 0.00 2.43 -0.52 0.19 114.38 116.64 1xl8 h ARG 252 Ca 0.16 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1xl8 h ARG 252 Cb 0.54 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1xl8 h ARG 252 CO 0.03 0.20 0.62 1.49 -1.51 0.00 0.00 179.97 180.80 1xl8 h GLU 253 N 0.22 1.20 -0.36 0.20 4.81 -1.21 -1.53 114.58 117.91 1xl8 h GLU 253 Ca 0.07 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1xl8 h GLU 253 Cb 0.02 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1xl8 h GLU 253 CO -0.01 0.79 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.94 1xl8 h TYR 254 N 1.23 0.90 -0.86 0.92 5.03 -0.73 -2.34 116.97 121.12 1xl8 h TYR 254 Ca 0.37 -0.23 0.07 0.00 2.58 0.00 0.00 58.73 61.52 1xl8 h TYR 254 Cb -0.06 -0.20 -0.06 0.00 1.55 0.00 0.00 36.73 37.96 1xl8 h TYR 254 CO -0.01 0.98 0.56 1.25 -1.32 0.00 0.00 178.16 179.62 1xl8 h LEU 255 N 0.56 0.83 -0.62 2.82 5.85 -0.15 -1.56 115.31 123.04 1xl8 h LEU 255 Ca 0.08 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1xl8 h LEU 255 Cb 0.76 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1xl8 h LEU 255 CO 0.06 0.52 -0.66 0.40 -0.34 0.00 0.00 178.44 178.42 1xl8 h ILE 256 N 0.93 1.44 0.00 4.05 2.04 -1.10 -2.97 117.51 121.90 1xl8 h ILE 256 Ca 0.38 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1xl8 h ILE 256 Cb 0.26 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1xl8 h ILE 256 CO -0.14 0.64 0.00 0.77 0.00 0.00 0.00 178.15 179.41 1xl8 h SER 257 N 0.09 0.00 0.97 1.72 4.64 -0.73 -2.64 113.55 117.58 1xl8 h SER 257 Ca -0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1xl8 h SER 257 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1xl8 h SER 257 CO 0.10 0.00 -0.66 -0.07 -0.87 0.00 0.00 176.83 175.33 1xl8 h LEU 258 N 0.00 0.00 -6.20 5.97 3.38 -1.33 -3.44 115.31 113.69 1xl8 h LEU 258 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1xl8 h LEU 258 Cb 0.45 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.98 1xl8 h LEU 258 CO 0.00 0.66 0.14 -0.62 0.09 0.00 0.00 178.44 178.71 1xl8 s ASP 259 N -6.63 -0.59 0.53 -0.43 2.15 -1.00 -5.04 116.67 105.66 1xl8 s ASP 259 Ca 0.01 0.54 0.31 0.00 0.43 0.00 0.00 52.55 53.84 1xl8 s ASP 259 Cb 0.10 1.57 1.47 0.00 -0.30 0.00 0.00 42.92 45.76 1xl8 s ASP 259 CO 0.76 -0.11 1.88 1.55 -0.17 0.00 0.00 175.17 179.08 1xl8 h PRO 260 N 7.76 0.02 0.00 4.34 0.13 -1.85 0.17 132.00 142.57 1xl8 h PRO 260 Ca -0.15 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1xl8 h PRO 260 Cb 1.15 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xl8 h PRO 260 CO 0.02 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 178.73 1xl8 h GLU 261 N 0.02 0.00 -0.32 0.86 5.08 -1.96 -1.78 114.58 116.48 1xl8 h GLU 261 Ca 0.44 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1xl8 h GLU 261 Cb 1.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1xl8 h GLU 261 CO -0.02 0.00 0.03 -0.91 -1.00 0.00 0.00 179.01 177.11 1xl8 h ASN 262 N 0.00 0.44 -0.44 1.42 2.35 -0.97 -0.17 115.58 118.21 1xl8 h ASN 262 Ca 0.00 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1xl8 h ASN 262 Cb 0.27 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1xl8 h ASN 262 CO 0.00 0.49 0.06 0.25 -1.65 0.00 0.00 177.43 176.58 1xl8 h LEU 263 N 0.46 0.71 -0.94 1.61 5.85 -1.48 0.47 115.31 122.00 1xl8 h LEU 263 Ca 0.11 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1xl8 h LEU 263 Cb 0.26 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1xl8 h LEU 263 CO 0.00 0.80 0.61 0.74 -0.34 0.00 0.00 178.44 180.25 1xl8 h THR 264 N 0.60 1.16 -0.26 1.05 2.02 -1.35 0.37 112.91 116.51 1xl8 h THR 264 Ca 0.13 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1xl8 h THR 264 Cb 0.39 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1xl8 h THR 264 CO 0.01 0.22 0.05 -0.07 0.37 0.00 0.00 175.52 176.09 1xl8 h LEU 265 N 1.18 0.40 -0.63 2.58 4.07 -0.57 -1.85 115.31 120.49 1xl8 h LEU 265 Ca 0.37 -0.25 0.04 0.00 0.08 0.00 0.00 57.88 58.12 1xl8 h LEU 265 Cb 0.00 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 1xl8 h LEU 265 CO -0.12 0.56 0.37 -0.07 -1.08 0.00 0.00 178.44 178.09 1xl8 h LEU 266 N 0.24 0.57 -1.58 1.67 3.38 -0.34 -2.00 115.31 117.25 1xl8 h LEU 266 Ca 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xl8 h LEU 266 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xl8 h LEU 266 CO 0.00 0.39 -0.05 -0.33 0.09 0.00 0.00 178.44 178.54 1xl8 h GLU 267 N 0.70 0.20 -0.72 1.13 5.08 -0.67 0.13 114.58 120.43 1xl8 h GLU 267 Ca 0.26 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1xl8 h GLU 267 Cb 0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1xl8 h GLU 267 CO -0.13 0.27 0.25 0.87 -1.00 0.00 0.00 179.01 179.27 1xl8 h LYS 268 N 0.19 1.09 -0.19 2.33 1.57 -0.58 0.86 116.57 121.84 1xl8 h LYS 268 Ca 0.04 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1xl8 h LYS 268 Cb 0.23 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1xl8 h LYS 268 CO 0.01 0.90 -0.25 0.82 -0.57 0.00 0.00 179.45 180.36 1xl8 h ILE 269 N 1.05 1.34 -0.73 1.86 2.04 -1.09 -2.53 117.51 119.46 1xl8 h ILE 269 Ca 0.24 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1xl8 h ILE 269 Cb 0.25 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1xl8 h ILE 269 CO -0.01 0.44 0.44 1.56 0.00 0.00 0.00 178.15 180.58 1xl8 h GLN 270 N 0.16 0.98 0.00 2.37 4.20 -0.66 -2.87 115.11 119.30 1xl8 h GLN 270 Ca 0.02 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xl8 h GLN 270 Cb 0.82 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1xl8 h GLN 270 CO 0.06 0.69 -0.43 0.25 -0.67 0.00 0.00 178.83 178.73 1xl8 n THR 271 N -4.39 0.23 -1.65 -0.54 -2.24 0.27 -4.07 114.28 101.89 1xl8 n THR 271 Ca 0.08 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 1xl8 n THR 271 Cb 0.07 -0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1xl8 n THR 271 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xl8 n SER 272 N -1.86 1.69 -0.30 3.42 3.41 -0.95 -4.44 113.62 114.59 1xl8 n SER 272 Ca 0.05 1.02 0.11 0.00 -0.26 0.00 0.00 58.87 59.79 1xl8 n SER 272 Cb 0.39 -1.42 0.28 0.00 -0.26 0.00 0.00 64.21 63.20 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 1.54 0.33 -7.25 1.04 3.38 -1.00 -2.87 115.31 110.47 1xl8 h LEU 273 Ca -0.47 0.14 0.19 0.00 0.09 0.00 0.00 57.88 57.84 1xl8 h LEU 273 Cb 1.33 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 42.07 1xl8 h LEU 273 CO 0.57 0.03 0.59 0.72 0.09 0.00 0.00 178.44 180.45 1xl8 s PHE 274 N -5.92 -0.19 -0.18 1.13 -0.12 -1.26 -0.70 117.98 110.74 1xl8 s PHE 274 Ca -0.12 0.02 -0.08 0.00 -0.05 0.00 0.00 56.93 56.70 1xl8 s PHE 274 Cb 0.24 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.16 1xl8 s PHE 274 CO 0.78 -0.54 0.09 0.08 -0.05 0.00 0.00 175.22 175.57 1xl8 s VAL 275 N -2.95 5.05 -0.22 -2.49 1.01 -1.06 -2.46 120.40 117.27 1xl8 s VAL 275 Ca 0.10 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1xl8 s VAL 275 Cb -0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1xl8 s VAL 275 CO -0.04 0.48 -0.01 -0.47 0.00 0.00 0.00 175.10 175.06 1xl8 s TYR 276 N 0.13 3.00 -0.20 5.22 5.04 0.11 -0.47 117.35 130.17 1xl8 s TYR 276 Ca 0.07 -0.74 -0.07 0.00 -2.44 0.00 0.00 57.07 53.88 1xl8 s TYR 276 Cb -0.12 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 40.02 1xl8 s TYR 276 CO -0.00 -0.46 0.05 -1.12 -1.34 0.00 0.00 175.55 172.69 1xl8 s SER 277 N 1.43 5.38 -0.41 4.32 0.01 0.65 -0.50 113.70 124.59 1xl8 s SER 277 Ca 0.05 -0.03 -0.15 0.00 1.31 0.00 0.00 55.95 57.13 1xl8 s SER 277 Cb -0.14 -1.93 0.03 0.00 0.21 0.00 0.00 66.02 64.18 1xl8 s SER 277 CO -0.01 0.11 0.30 -0.63 0.41 0.00 0.00 173.24 173.42 1xl8 s ILE 278 N 0.75 5.20 0.06 1.44 1.01 -0.36 0.29 121.20 129.58 1xl8 s ILE 278 Ca 0.03 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1xl8 s ILE 278 Cb -0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1xl8 s ILE 278 CO 0.02 -0.33 0.13 -1.61 0.00 0.00 0.00 174.94 173.15 1xl8 s GLU 279 N 1.67 3.11 0.00 2.79 0.41 0.88 -4.49 118.70 123.07 1xl8 s GLU 279 Ca 0.05 -0.57 0.24 0.00 -0.41 0.00 0.00 54.97 54.28 1xl8 s GLU 279 Cb -0.19 -2.86 0.23 0.00 -1.78 0.00 0.00 34.13 29.52 1xl8 s GLU 279 CO 0.09 0.59 1.27 -0.25 -0.49 0.00 0.00 175.26 176.47 1xl8 n ASP 280 N 0.49 2.51 -4.92 -0.19 8.00 -1.26 -2.66 116.55 118.52 1xl8 n ASP 280 Ca -0.08 -1.77 -0.27 0.00 0.71 0.00 0.00 54.79 53.38 1xl8 n ASP 280 Cb 0.52 0.14 0.07 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.16 4.92 -0.37 -2.24 1.04 -1.26 -4.56 113.70 109.07 1xl8 s SER 281 Ca 0.26 0.62 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1xl8 s SER 281 Cb 0.20 -1.30 0.14 0.00 0.10 0.00 0.00 66.02 65.15 1xl8 s SER 281 CO 0.39 -1.56 0.22 -0.44 0.98 0.00 0.00 173.24 172.83 1xl8 s SER 282 N -4.49 2.93 0.35 7.02 0.01 -1.26 -1.20 113.70 117.06 1xl8 s SER 282 Ca 0.59 -2.30 -0.28 0.00 1.31 0.00 0.00 55.95 55.27 1xl8 s SER 282 Cb -0.11 -0.47 -0.10 0.00 0.21 0.00 0.00 66.02 65.55 1xl8 s SER 282 CO 0.46 -0.29 1.29 -2.16 0.41 0.00 0.00 173.24 172.95 1xl8 s PRO 283 N 0.91 4.27 -0.05 12.44 0.04 -1.26 -4.92 135.00 146.44 1xl8 s PRO 283 Ca 0.19 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 1xl8 s PRO 283 Cb -0.21 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 1xl8 s PRO 283 CO -0.01 -0.24 1.74 -1.58 0.04 0.00 0.00 177.00 176.96 1xl8 s HIS 284 N -1.18 1.79 -0.15 0.56 2.46 -1.26 -4.86 115.29 112.64 1xl8 s HIS 284 Ca 0.51 0.07 -0.04 0.00 0.47 0.00 0.00 55.06 56.07 1xl8 s HIS 284 Cb -0.38 -4.00 0.05 0.00 -0.13 0.00 0.00 32.58 28.12 1xl8 s HIS 284 CO 0.51 -4.21 0.06 0.00 -2.47 0.00 0.00 174.74 168.63 1xl8 s ALA 285 N 4.36 0.59 0.06 1.58 0.00 -1.26 -4.19 121.76 122.91 1xl8 s ALA 285 Ca 0.78 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1xl8 s ALA 285 Cb -0.35 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1xl8 s ALA 285 CO 0.33 -1.04 -0.02 0.95 0.00 0.00 0.00 175.76 175.97 1xl8 s THR 286 N 2.05 0.26 0.51 0.00 -4.23 0.27 -4.29 115.64 110.22 1xl8 s THR 286 Ca 0.02 -1.83 0.24 0.00 -1.18 0.00 0.00 61.69 58.94 1xl8 s THR 286 Cb -0.16 -1.60 0.40 0.00 1.34 0.00 0.00 72.50 72.49 1xl8 s THR 286 CO -0.08 -0.93 1.96 -0.65 -0.54 0.00 0.00 174.62 174.39 1xl8 h PRO 287 N 3.10 0.08 0.20 3.99 0.11 -1.95 -2.44 132.00 135.09 1xl8 h PRO 287 Ca -0.34 -0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.44 1xl8 h PRO 287 Cb 1.15 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.26 1xl8 h PRO 287 CO 0.65 0.05 -1.56 0.93 -0.21 0.00 0.00 178.00 177.87 1xl8 h GLU 288 N 0.08 0.43 -4.40 1.05 3.07 -1.99 -3.46 114.58 109.36 1xl8 h GLU 288 Ca 0.30 -0.73 -0.51 0.00 -0.50 0.00 0.00 59.36 57.93 1xl8 h GLU 288 Cb 1.08 0.27 -0.34 0.00 -0.84 0.00 0.00 28.75 28.92 1xl8 h GLU 288 CO -0.03 1.35 -0.81 -1.21 -1.40 0.00 0.00 179.01 176.91 1xl8 s GLU 289 N -2.56 1.56 0.00 2.33 2.02 -0.92 -4.84 118.70 116.30 1xl8 s GLU 289 Ca -0.14 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1xl8 s GLU 289 Cb 0.04 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1xl8 s GLU 289 CO 0.88 -0.07 0.48 2.48 0.02 0.00 0.00 175.26 179.05 1xl8 n TYR 290 N 4.15 0.00 0.24 1.61 0.18 -1.25 0.98 117.16 123.06 1xl8 n TYR 290 Ca -0.20 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.67 1xl8 n TYR 290 Cb 0.51 0.25 0.61 0.00 -0.38 0.00 0.00 39.34 40.33 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 0.00 0.51 9.48 4.64 -1.82 -1.93 113.55 124.43 1xl8 h SER 291 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1xl8 h SER 291 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1xl8 h SER 291 CO 0.00 0.17 -0.26 -0.61 -0.87 0.00 0.00 176.83 175.26 1xl8 h GLN 292 N 0.00 0.00 -0.44 4.77 4.15 -1.92 -2.32 115.11 119.35 1xl8 h GLN 292 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1xl8 h GLN 292 Cb 0.40 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1xl8 h GLN 292 CO 0.02 0.26 0.11 0.28 -1.93 0.00 0.00 178.83 177.57 1xl8 h VAL 293 N 0.00 1.23 -0.45 2.39 2.07 -1.53 -2.80 116.25 117.16 1xl8 h VAL 293 Ca -0.00 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1xl8 h VAL 293 Cb 0.59 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1xl8 h VAL 293 CO 0.03 0.29 0.28 -0.26 0.02 0.00 0.00 177.57 177.93 1xl8 h PHE 294 N 0.59 0.60 0.00 1.57 0.04 -1.52 -1.33 116.94 116.88 1xl8 h PHE 294 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1xl8 h PHE 294 Cb 0.32 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1xl8 h PHE 294 CO 0.02 0.41 0.00 0.39 -0.60 0.00 0.00 178.31 178.53 1xl8 n GLU 295 N -4.73 0.09 0.00 1.51 1.02 -0.92 -1.24 120.64 116.38 1xl8 n GLU 295 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1xl8 n GLU 295 Cb 0.05 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.59 0.00 0.16 -4.62 7.94 -0.50 -0.70 117.00 119.86 1xl8 n LEU 297 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1xl8 n LEU 297 Cb 0.03 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.20 1xl8 n LEU 297 CO 0.00 0.00 0.56 -0.07 -1.11 0.00 0.00 177.39 176.77 1xl8 h LEU 298 N 0.00 0.00 0.00 -1.96 3.38 -1.43 -3.41 115.31 111.89 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 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1xl8 n GLY 299 N 0.46 0.33 5.40 0.83 0.00 0.12 -4.71 105.19 107.62 1xl8 n GLY 299 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 3.68 -1.59 3.40 -0.02 0.00 -1.26 -4.59 105.19 104.80 1xl8 n GLY 300 Ca 0.00 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 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 -4.27 6.16 0.44 1.61 -1.08 -1.26 -4.92 116.67 113.35 1xl8 s ASP 301 Ca 0.00 -1.26 0.30 0.00 -0.52 0.00 0.00 52.55 51.06 1xl8 s ASP 301 Cb 0.00 -2.20 1.60 0.00 -1.46 0.00 0.00 42.92 40.86 1xl8 s ASP 301 CO 0.00 -0.70 1.91 1.55 0.52 0.00 0.00 175.17 178.45 1xl8 h PRO 302 N 8.80 0.00 0.00 4.34 0.13 -1.93 -1.75 132.00 141.59 1xl8 h PRO 302 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xl8 h PRO 302 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xl8 h PRO 302 CO 0.90 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.54 1xl8 n SER 303 N -2.54 0.13 -0.42 1.44 3.41 -1.26 -2.17 113.62 112.20 1xl8 n SER 303 Ca -0.02 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.19 1xl8 n SER 303 Cb 0.05 -0.56 0.09 0.00 -0.26 0.00 0.00 64.21 63.53 1xl8 n SER 303 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xl8 n VAL 304 N -1.65 1.11 -4.89 -3.33 0.24 -0.66 -3.37 118.33 105.78 1xl8 n VAL 304 Ca 0.02 -1.50 -0.29 0.00 -2.04 0.00 0.00 64.34 60.53 1xl8 n VAL 304 Cb 0.13 0.13 -0.15 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.67 1.74 -0.69 7.34 1.81 -0.92 -4.61 118.95 121.94 1xl8 s ARG 305 Ca 0.22 -1.05 0.04 0.00 -1.72 0.00 0.00 55.73 53.22 1xl8 s ARG 305 Cb 0.21 -1.88 0.17 0.00 -0.45 0.00 0.00 34.95 33.00 1xl8 s ARG 305 CO -0.01 0.49 0.48 -0.46 -0.68 0.00 0.00 175.30 175.12 1xl8 s TRP 306 N -0.78 3.54 0.59 -0.53 -0.11 -1.26 -4.37 118.94 116.03 1xl8 s TRP 306 Ca 0.11 -3.29 0.29 0.00 1.22 0.00 0.00 56.10 54.43 1xl8 s TRP 306 Cb -0.10 -2.78 1.43 0.00 -1.50 0.00 0.00 33.47 30.52 1xl8 s TRP 306 CO 0.02 -0.59 1.83 0.78 -4.62 0.00 0.00 176.95 174.37 1xl8 h GLY 307 N 5.63 0.00 2.00 5.86 0.00 -1.85 -0.58 103.07 114.13 1xl8 h GLY 307 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1xl8 h GLY 307 CO 0.73 0.00 -0.04 -0.55 0.00 0.00 0.00 176.54 176.67 1xl8 h ASP 308 N 0.00 0.00 -3.92 0.19 3.32 -1.89 -3.39 116.42 110.73 1xl8 h ASP 308 Ca 0.26 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.79 1xl8 h ASP 308 Cb 1.42 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.04 1xl8 h ASP 308 CO -0.00 0.04 0.61 -0.75 -1.72 0.00 0.00 179.24 177.42 1xl8 s LYS 309 N -3.39 4.15 0.33 3.56 2.47 -0.23 -0.94 119.74 125.68 1xl8 s LYS 309 Ca 0.04 2.15 0.10 0.00 -1.56 0.00 0.00 55.97 56.70 1xl8 s LYS 309 Cb 0.07 -2.89 0.56 0.00 -1.46 0.00 0.00 37.83 34.11 1xl8 s LYS 309 CO 0.63 -0.34 1.74 0.66 0.16 0.00 0.00 175.35 178.20 1xl8 h SER 310 N 2.98 0.11 -3.15 1.43 4.64 -1.78 -2.76 113.55 115.02 1xl8 h SER 310 Ca -0.49 -0.04 -0.48 0.00 -0.47 0.00 0.00 61.79 60.30 1xl8 h SER 310 Cb 1.24 -0.03 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 1xl8 h SER 310 CO 0.64 0.52 -0.76 -0.47 -0.87 0.00 0.00 176.83 175.89 1xl8 s TYR 311 N -4.09 0.54 -0.29 4.77 5.04 -1.26 -3.10 117.35 118.95 1xl8 s TYR 311 Ca -0.03 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.09 1xl8 s TYR 311 Cb 0.14 -0.83 0.07 0.00 0.35 0.00 0.00 41.96 41.69 1xl8 s TYR 311 CO 0.75 -0.54 -0.03 1.21 -1.34 0.00 0.00 175.55 175.60 1xl8 s ASN 312 N 2.02 4.68 -0.07 4.32 3.04 -0.74 -2.57 114.94 125.62 1xl8 s ASN 312 Ca 0.01 -1.55 -0.26 0.00 0.04 0.00 0.00 52.86 51.10 1xl8 s ASN 312 Cb -0.16 -1.63 -0.03 0.00 -1.54 0.00 0.00 41.25 37.89 1xl8 s ASN 312 CO -0.08 -0.27 0.84 -0.22 -3.04 0.00 0.00 177.10 174.33 1xl8 s LEU 313 N 1.11 4.30 -0.15 3.21 0.20 0.38 -1.59 118.68 126.12 1xl8 s LEU 313 Ca -0.03 1.36 -0.03 0.00 0.69 0.00 0.00 54.13 56.12 1xl8 s LEU 313 Cb -0.20 -3.31 -0.02 0.00 -0.43 0.00 0.00 46.19 42.23 1xl8 s LEU 313 CO -0.04 -0.25 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.07 1xl8 s ILE 314 N 1.26 3.63 -0.21 6.68 -1.09 0.10 -0.25 121.20 131.32 1xl8 s ILE 314 Ca 0.43 -0.45 -0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1xl8 s ILE 314 Cb -0.19 -2.58 -0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1xl8 s ILE 314 CO 0.20 0.49 -0.07 -0.55 -1.23 0.00 0.00 174.94 173.78 1xl8 s SER 315 N 0.46 4.11 0.36 3.58 0.15 0.15 -1.90 113.70 120.60 1xl8 s SER 315 Ca -0.05 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.15 1xl8 s SER 315 Cb -0.15 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 1xl8 s SER 315 CO 0.03 -0.02 0.56 -0.36 1.20 0.00 0.00 173.24 174.65 1xl8 s PHE 316 N 1.44 3.46 0.52 3.44 0.40 -0.11 -0.09 117.98 127.05 1xl8 s PHE 316 Ca 0.05 0.32 0.25 0.00 -0.60 0.00 0.00 56.93 56.95 1xl8 s PHE 316 Cb -0.14 -1.94 1.53 0.00 0.51 0.00 0.00 43.02 42.99 1xl8 s PHE 316 CO -0.05 0.07 2.16 0.00 0.70 0.00 0.00 175.22 178.11 1xl8 h ALA 317 N 0.72 1.59 -0.42 5.36 0.00 -0.92 -2.70 119.26 122.89 1xl8 h ALA 317 Ca -0.49 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1xl8 h ALA 317 Cb 1.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1xl8 h ALA 317 CO 0.61 0.06 0.11 0.27 0.00 0.00 0.00 179.25 180.30 1xl8 n ASN 318 N -4.00 3.76 -0.26 0.00 6.94 -1.26 -3.85 115.26 116.59 1xl8 n ASN 318 Ca -0.03 -2.67 -0.03 0.00 -0.02 0.00 0.00 54.58 51.83 1xl8 n ASN 318 Cb 0.14 -0.64 -0.01 0.00 -2.36 0.00 0.00 39.78 36.90 1xl8 n ASN 318 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xl8 n GLY 319 N 0.15 0.63 3.91 4.83 0.00 -1.02 -0.13 105.19 113.56 1xl8 n GLY 319 Ca 0.22 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.02 5.41 0.19 -0.61 -1.09 -1.26 -4.85 121.20 116.99 1xl8 s ILE 320 Ca 0.00 -0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1xl8 s ILE 320 Cb 0.00 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1xl8 s ILE 320 CO 0.00 0.30 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.55 1xl8 s PHE 321 N -1.36 1.53 0.19 3.97 0.08 -1.26 -0.94 117.98 120.19 1xl8 s PHE 321 Ca 0.29 -0.71 -0.22 0.00 0.12 0.00 0.00 56.93 56.40 1xl8 s PHE 321 Cb -0.13 -0.78 0.07 0.00 -0.57 0.00 0.00 43.02 41.62 1xl8 s PHE 321 CO 0.20 0.18 1.02 0.20 -0.10 0.00 0.00 175.22 176.72 1xl8 s GLY 322 N -3.27 0.06 0.08 4.36 0.00 -0.80 -0.45 107.32 107.31 1xl8 s GLY 322 Ca 0.22 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.69 1xl8 s GLY 322 CO 0.05 1.90 -0.07 0.00 0.00 0.00 0.00 173.10 174.97 1xl8 s ASP 326 N -0.38 6.71 0.14 0.00 2.15 -1.04 -1.66 116.67 122.59 1xl8 s ASP 326 Ca 0.06 2.44 0.26 0.00 0.43 0.00 0.00 52.55 55.74 1xl8 s ASP 326 Cb -0.08 -2.58 0.69 0.00 -0.30 0.00 0.00 42.92 40.64 1xl8 s ASP 326 CO -0.00 -0.76 1.63 1.57 -0.17 0.00 0.00 175.17 177.44 1xl8 n HIS 327 N 4.29 0.65 0.05 -5.34 -0.00 -1.26 -4.36 115.22 109.25 1xl8 n HIS 327 Ca 0.13 0.19 -0.11 0.00 -0.00 0.00 0.00 57.72 57.93 1xl8 n HIS 327 Cb 0.41 -0.76 -0.05 0.00 -0.00 0.00 0.00 29.99 29.59 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 2.60 -0.11 0.00 1.57 0.00 -1.92 -3.27 119.26 118.14 1xl8 h ALA 328 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xl8 h ALA 328 Cb 0.70 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xl8 h ALA 328 CO 0.00 -0.59 0.00 -1.00 0.00 0.00 0.00 179.25 177.66 1xl8 h PRO 329 N -0.17 0.00 -2.48 0.00 0.13 -1.97 -3.47 132.00 124.03 1xl8 h PRO 329 Ca 0.04 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.31 1xl8 h PRO 329 Cb 0.23 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.27 1xl8 h PRO 329 CO -0.11 0.00 0.43 1.52 -0.23 0.00 0.00 178.00 179.61 1xl8 s TYR 330 N -3.18 -0.18 0.47 1.56 1.13 -1.23 -4.90 117.35 111.00 1xl8 s TYR 330 Ca 0.08 -0.12 0.05 0.00 -1.41 0.00 0.00 57.07 55.67 1xl8 s TYR 330 Cb 0.09 0.64 0.02 0.00 -1.10 0.00 0.00 41.96 41.60 1xl8 s TYR 330 CO 0.62 -0.87 0.65 -0.51 -2.51 0.00 0.00 175.55 172.93 1xl8 s ASP 331 N -2.88 5.53 0.00 -0.18 1.01 -1.26 -4.64 116.67 114.25 1xl8 s ASP 331 Ca 0.11 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.13 1xl8 s ASP 331 Cb -0.02 -0.79 0.00 0.00 1.01 0.00 0.00 42.92 43.12 1xl8 s ASP 331 CO 0.01 -0.89 0.34 0.00 0.21 0.00 0.00 175.17 174.84 1xl8 n ALA 332 N -2.04 0.63 -0.62 5.23 0.00 -1.26 -4.94 120.51 117.52 1xl8 n ALA 332 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xl8 n ALA 332 Cb 0.59 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 2.55 0.00 0.00 0.00 0.31 -1.26 -4.65 118.33 115.28 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 -0.58 0.00 -0.14 2.52 0.31 -1.26 -1.98 118.33 117.21 1xl8 n VAL 336 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1xl8 n VAL 336 Cb 0.04 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.76 0.07 4.52 2.35 -1.97 -0.05 115.58 121.25 1xl8 h ASN 337 Ca 0.00 -0.33 -0.17 0.00 -0.55 0.00 0.00 56.30 55.25 1xl8 h ASN 337 Cb 0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1xl8 h ASN 337 CO 0.00 0.91 -0.59 -0.29 -1.65 0.00 0.00 177.43 175.81 1xl8 h ILE 338 N 0.59 1.33 -0.76 2.81 2.10 -1.80 -0.82 117.51 120.96 1xl8 h ILE 338 Ca 0.11 -1.87 -0.05 0.00 1.08 0.00 0.00 64.86 64.14 1xl8 h ILE 338 Cb 0.55 1.84 -0.03 0.00 -1.09 0.00 0.00 36.82 38.09 1xl8 h ILE 338 CO 0.03 0.58 0.29 0.00 -1.08 0.00 0.00 178.15 177.96 1xl8 h ALA 339 N 0.95 0.99 -0.56 0.18 0.00 -1.80 0.12 119.26 119.14 1xl8 h ALA 339 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1xl8 h ALA 339 Cb 1.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1xl8 h ALA 339 CO 0.11 0.63 -0.05 1.25 0.00 0.00 0.00 179.25 181.18 1xl8 h HIS 340 N 1.11 1.14 -0.14 0.00 -0.00 -0.85 0.63 115.15 117.04 1xl8 h HIS 340 Ca 0.25 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1xl8 h HIS 340 Cb 0.24 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1xl8 h HIS 340 CO 0.02 1.03 0.09 -0.92 -0.00 0.00 0.00 177.93 178.15 1xl8 h TYR 341 N 0.92 0.17 -0.81 5.26 3.20 -0.63 0.68 116.97 125.75 1xl8 h TYR 341 Ca 0.15 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1xl8 h TYR 341 Cb 0.62 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1xl8 h TYR 341 CO 0.04 0.12 0.40 0.28 -1.64 0.00 0.00 178.16 177.35 1xl8 h VAL 342 N 0.18 1.25 -0.82 1.81 2.07 -0.87 -1.01 116.25 118.87 1xl8 h VAL 342 Ca 0.05 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1xl8 h VAL 342 Cb -0.01 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1xl8 h VAL 342 CO -0.01 0.30 0.34 -0.78 0.02 0.00 0.00 177.57 177.44 1xl8 h ASP 343 N 1.16 1.11 0.52 0.57 3.58 -0.36 -1.33 116.42 121.67 1xl8 h ASP 343 Ca 0.28 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 1xl8 h ASP 343 Cb 0.11 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1xl8 h ASP 343 CO -0.04 0.97 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.53 1xl8 h GLU 344 N 1.18 0.00 -0.28 0.28 4.39 -0.20 -1.66 114.58 118.30 1xl8 h GLU 344 Ca 0.27 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.81 1xl8 h GLU 344 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1xl8 h GLU 344 CO -0.03 0.43 -0.50 0.00 -1.16 0.00 0.00 179.01 177.76 1xl8 h ARG 345 N 0.00 0.77 -0.30 2.33 2.47 -0.55 -0.43 114.38 118.66 1xl8 h ARG 345 Ca -0.00 -0.46 -0.09 0.00 -1.26 0.00 0.00 59.98 58.17 1xl8 h ARG 345 Cb 0.81 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 1xl8 h ARG 345 CO 0.06 1.08 -0.16 0.28 0.56 0.00 0.00 179.97 181.79 1xl8 h VAL 346 N 0.60 1.29 -0.49 2.04 2.07 -1.02 -1.68 116.25 119.07 1xl8 h VAL 346 Ca 0.03 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1xl8 h VAL 346 Cb 1.07 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1xl8 h VAL 346 CO 0.11 0.41 0.22 -0.07 0.02 0.00 0.00 177.57 178.25 1xl8 h LEU 347 N 0.39 0.66 -1.05 2.57 3.38 -1.25 0.33 115.31 120.35 1xl8 h LEU 347 Ca 0.07 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1xl8 h LEU 347 Cb 0.69 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1xl8 h LEU 347 CO 0.05 0.62 0.09 -0.08 0.09 0.00 0.00 178.44 179.21 1xl8 h GLU 348 N 0.66 0.77 -0.19 1.13 4.81 -1.01 -2.88 114.58 117.87 1xl8 h GLU 348 Ca 0.17 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xl8 h GLU 348 Cb 0.15 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1xl8 h GLU 348 CO -0.02 0.72 0.00 0.25 -0.73 0.00 0.00 179.01 179.23 1xl8 n THR 349 N -4.27 0.22 -2.49 0.32 -2.24 -0.64 -4.94 114.28 100.25 1xl8 n THR 349 Ca 0.03 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 1xl8 n THR 349 Cb 0.24 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 1.21 -2.18 -1.62 -0.78 1.02 0.03 -2.13 120.64 116.19 1xl8 n GLU 350 Ca 0.17 0.87 -0.14 0.00 -0.02 0.00 0.00 57.16 58.03 1xl8 n GLU 350 Cb 0.56 -5.41 -0.05 0.00 -0.02 0.00 0.00 31.44 26.52 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 -1.12 1.06 3.27 0.62 0.00 0.97 -4.96 105.19 105.03 1xl8 n GLY 351 Ca -0.19 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.57 1.13 -0.26 1.61 0.52 -0.90 -5.04 118.95 112.44 1xl8 s ARG 352 Ca 0.00 -1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 53.60 1xl8 s ARG 352 Cb 0.00 -0.67 -0.05 0.00 0.52 0.00 0.00 34.95 34.75 1xl8 s ARG 352 CO 0.00 0.06 0.18 -0.46 0.02 0.00 0.00 175.30 175.09 1xl8 s TRP 353 N -3.31 3.26 -1.03 -0.53 -0.11 -1.26 -4.82 118.94 111.14 1xl8 s TRP 353 Ca 0.19 0.17 0.11 0.00 1.22 0.00 0.00 56.10 57.79 1xl8 s TRP 353 Cb 0.03 -2.33 0.25 0.00 -1.50 0.00 0.00 33.47 29.91 1xl8 s TRP 353 CO 0.02 -0.06 1.15 1.63 -4.62 0.00 0.00 176.95 175.07 1xl8 n LYS 354 N 4.73 2.29 -0.29 5.86 5.02 -1.26 -5.02 118.16 129.50 1xl8 n LYS 354 Ca -0.14 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 1xl8 n LYS 354 Cb 0.52 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.53 0.72 3.70 0.72 0.00 -1.26 -5.03 105.19 104.57 1xl8 n GLY 355 Ca 0.10 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.49 2.35 -0.87 1.61 2.88 -1.26 -4.89 113.62 111.94 1xl8 n SER 356 Ca 0.00 1.05 0.12 0.00 -1.33 0.00 0.00 58.87 58.71 1xl8 n SER 356 Cb 0.00 -1.50 0.27 0.00 -0.75 0.00 0.00 64.21 62.23 1xl8 n SER 356 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1xl8 n GLU 357 N -0.27 2.16 -2.06 -1.46 4.07 -1.26 -4.81 120.64 117.01 1xl8 n GLU 357 Ca 0.08 -1.73 -0.41 0.00 -0.06 0.00 0.00 57.16 55.04 1xl8 n GLU 357 Cb 0.41 -1.47 -0.02 0.00 -0.06 0.00 0.00 31.44 30.31 1xl8 n GLU 357 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1xl8 s LYS 358 N -1.75 4.31 -0.35 5.31 2.20 -1.26 -4.95 119.74 123.25 1xl8 s LYS 358 Ca 0.34 2.26 0.01 0.00 -0.36 0.00 0.00 55.97 58.23 1xl8 s LYS 358 Cb 0.21 -3.08 0.10 0.00 -1.51 0.00 0.00 37.83 33.55 1xl8 s LYS 358 CO 0.30 -0.28 0.09 0.08 -0.36 0.00 0.00 175.35 175.18 1xl8 s VAL 359 N -0.79 2.68 0.76 4.02 1.01 -1.26 -4.65 120.40 122.17 1xl8 s VAL 359 Ca 0.52 -2.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.26 1xl8 s VAL 359 Cb -0.41 -2.86 0.06 0.00 0.00 0.00 0.00 36.38 33.17 1xl8 s VAL 359 CO 0.51 -0.55 1.14 -0.13 0.00 0.00 0.00 175.10 176.06 1xl8 s ARG 360 N 1.03 2.11 -0.94 2.72 0.52 -1.26 -4.88 118.95 118.25 1xl8 s ARG 360 Ca 0.07 1.45 -0.24 0.00 -0.52 0.00 0.00 55.73 56.49 1xl8 s ARG 360 Cb -0.20 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.40 1xl8 s ARG 360 CO -0.06 -1.80 1.74 0.34 0.02 0.00 0.00 175.30 175.55 1xl8 s ASP 361 N -2.69 5.68 0.12 0.23 2.15 -1.26 -4.95 116.67 115.95 1xl8 s ASP 361 Ca 0.67 -0.96 0.04 0.00 0.43 0.00 0.00 52.55 52.73 1xl8 s ASP 361 Cb -0.22 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 1xl8 s ASP 361 CO 0.50 -2.25 0.13 0.27 -0.17 0.00 0.00 175.17 173.65 1xl8 s ILE 362 N 8.04 4.60 0.59 4.11 -4.36 -1.26 -5.08 121.20 127.83 1xl8 s ILE 362 Ca 0.60 -0.90 -0.19 0.00 -0.26 0.00 0.00 60.65 59.91 1xl8 s ILE 362 Cb -0.04 -3.29 -0.05 0.00 1.25 0.00 0.00 42.46 40.33 1xl8 s ILE 362 CO -0.04 0.00 1.01 -2.65 0.24 0.00 0.00 174.94 173.50 1xl8 n PRO 363 N 0.00 0.99 -2.67 0.37 -0.02 -1.26 -4.96 135.00 127.45 1xl8 n PRO 363 Ca -0.08 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 1xl8 n PRO 363 Cb 0.53 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.13 4.15 0.54 2.45 1.43 -1.26 -4.97 118.68 118.88 1xl8 s LEU 364 Ca 0.75 1.90 -0.21 0.00 -1.03 0.00 0.00 54.13 55.55 1xl8 s LEU 364 Cb -0.42 -4.22 -0.07 0.00 0.03 0.00 0.00 46.19 41.51 1xl8 s LEU 364 CO 0.48 -0.35 1.00 -2.65 0.23 0.00 0.00 176.35 175.05 1xl8 n PRO 365 N -0.04 1.11 -4.11 1.29 -0.02 -1.26 -4.97 135.00 127.01 1xl8 n PRO 365 Ca 0.05 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1xl8 n PRO 365 Cb 0.51 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1xl8 n PRO 365 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1xl8 s GLU 366 N -2.50 3.68 0.03 -0.52 2.02 0.14 -4.91 118.70 116.64 1xl8 s GLU 366 Ca 0.71 -0.35 -0.22 0.00 0.02 0.00 0.00 54.97 55.13 1xl8 s GLU 366 Cb -0.46 -3.09 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 1xl8 s GLU 366 CO 0.51 0.42 0.67 -2.00 0.02 0.00 0.00 175.26 174.88 1xl8 s GLU 367 N -0.06 4.39 -0.57 1.61 2.12 -1.26 -0.97 118.70 123.96 1xl8 s GLU 367 Ca 0.06 0.89 -0.22 0.00 0.36 0.00 0.00 54.97 56.06 1xl8 s GLU 367 Cb -0.12 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 30.99 1xl8 s GLU 367 CO 0.01 0.37 0.85 -0.51 -0.54 0.00 0.00 175.26 175.45 1xl8 s LEU 368 N -0.28 4.47 -0.62 2.70 1.43 0.68 -4.98 118.68 122.09 1xl8 s LEU 368 Ca 0.34 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 1xl8 s LEU 368 Cb -0.19 -2.59 0.13 0.00 0.03 0.00 0.00 46.19 43.56 1xl8 s LEU 368 CO 0.20 -1.19 0.68 -0.69 0.23 0.00 0.00 176.35 175.57 1xl8 s VAL 369 N 3.57 5.02 0.48 -1.59 1.01 -1.26 -4.45 120.40 123.18 1xl8 s VAL 369 Ca 0.23 -1.35 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 1xl8 s VAL 369 Cb -0.16 -4.46 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 1xl8 s VAL 369 CO 0.14 -1.06 1.15 -0.36 0.00 0.00 0.00 175.10 174.96 1xl8 s PHE 370 N 2.07 2.84 -0.26 5.22 0.40 -1.26 -5.00 117.98 121.99 1xl8 s PHE 370 Ca 0.11 1.54 -0.16 0.00 -0.60 0.00 0.00 56.93 57.83 1xl8 s PHE 370 Cb -0.23 -3.33 -0.03 0.00 0.51 0.00 0.00 43.02 39.93 1xl8 s PHE 370 CO 0.03 -1.46 0.41 0.99 0.70 0.00 0.00 175.22 175.89 1xl8 s THR 371 N -1.63 5.15 0.27 0.64 2.01 -1.26 -5.06 115.64 115.76 1xl8 s THR 371 Ca 0.66 0.67 0.02 0.00 0.31 0.00 0.00 61.69 63.35 1xl8 s THR 371 Cb -0.26 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1xl8 s THR 371 CO 0.32 0.15 0.09 0.68 -0.69 0.00 0.00 174.62 175.16 1xl8 s VAL 372 N 2.07 0.70 0.19 3.82 -7.23 -1.26 -4.82 120.40 113.87 1xl8 s VAL 372 Ca 0.17 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1xl8 s VAL 372 Cb -0.16 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1xl8 s VAL 372 CO 0.09 -0.01 0.15 -0.90 -0.31 0.00 0.00 175.10 174.13 1xl8 n ASP 373 N -0.51 -0.24 -0.26 4.85 5.75 -1.26 -5.04 116.55 119.84 1xl8 n ASP 373 Ca -0.01 -2.23 -0.04 0.00 -0.01 0.00 0.00 54.79 52.50 1xl8 n ASP 373 Cb 0.66 0.90 0.07 0.00 -1.03 0.00 0.00 41.12 41.73 1xl8 n ASP 373 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xl8 h GLU 374 N 0.00 0.91 0.16 0.11 4.81 -2.02 -2.14 114.58 116.41 1xl8 h GLU 374 Ca -0.14 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1xl8 h GLU 374 Cb 0.68 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1xl8 h GLU 374 CO 0.20 0.60 -0.36 -0.22 -0.73 0.00 0.00 179.01 178.50 1xl8 h LYS 375 N 0.94 -0.59 -0.62 1.92 3.11 -1.99 -0.97 116.57 118.36 1xl8 h LYS 375 Ca 0.28 0.04 0.03 0.00 -2.81 0.00 0.00 60.65 58.19 1xl8 h LYS 375 Cb -0.04 0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.28 1xl8 h LYS 375 CO -0.08 -0.39 0.38 0.82 -2.81 0.00 0.00 179.45 177.36 1xl8 h ILE 376 N -0.61 1.06 -0.41 2.00 1.08 -1.93 -0.73 117.51 117.96 1xl8 h ILE 376 Ca 0.02 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1xl8 h ILE 376 Cb 0.63 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1xl8 h ILE 376 CO -0.19 0.13 0.27 -0.07 -0.69 0.00 0.00 178.15 177.61 1xl8 h LEU 377 N 0.74 0.48 -0.42 1.44 3.38 -1.11 0.21 115.31 120.03 1xl8 h LEU 377 Ca 0.25 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 1xl8 h LEU 377 Cb 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xl8 h LEU 377 CO -0.11 0.35 -0.51 0.78 0.09 0.00 0.00 178.44 179.03 1xl8 h ASN 378 N 0.56 0.83 -0.77 -0.43 2.35 -0.17 -1.58 115.58 116.38 1xl8 h ASN 378 Ca 0.15 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1xl8 h ASN 378 Cb -0.06 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.03 1xl8 h ASN 378 CO -0.03 1.19 0.43 0.44 -1.65 0.00 0.00 177.43 177.81 1xl8 h ASP 379 N 0.58 0.95 -0.21 5.81 3.32 0.31 -2.22 116.42 124.95 1xl8 h ASP 379 Ca 0.02 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1xl8 h ASP 379 Cb 1.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1xl8 h ASP 379 CO 0.11 0.76 0.11 0.58 -1.72 0.00 0.00 179.24 179.08 1xl8 h VAL 380 N 1.06 1.12 -0.68 -1.35 2.07 -0.46 -0.85 116.25 117.16 1xl8 h VAL 380 Ca 0.27 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1xl8 h VAL 380 Cb 0.01 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1xl8 h VAL 380 CO -0.05 0.12 0.41 0.28 0.02 0.00 0.00 177.57 178.35 1xl8 h SER 381 N 0.23 0.65 -0.05 0.57 0.02 -1.08 -0.52 113.55 113.37 1xl8 h SER 381 Ca 0.07 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1xl8 h SER 381 Cb 0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1xl8 h SER 381 CO -0.01 0.44 -0.24 -0.61 -1.14 0.00 0.00 176.83 175.28 1xl8 h GLN 382 N 0.79 0.46 -0.15 3.45 4.15 -1.25 -1.21 115.11 121.35 1xl8 h GLN 382 Ca 0.28 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1xl8 h GLN 382 Cb 0.07 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1xl8 h GLN 382 CO -0.13 0.67 -0.05 0.00 -1.93 0.00 0.00 178.83 177.39 1xl8 h ALA 383 N 1.34 0.21 -0.43 3.38 0.00 -0.37 -1.25 119.26 122.14 1xl8 h ALA 383 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1xl8 h ALA 383 Cb 0.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xl8 h ALA 383 CO 0.05 -0.01 0.10 -0.22 0.00 0.00 0.00 179.25 179.17 1xl8 h LYS 384 N -0.00 0.69 -0.29 0.00 3.64 -1.05 -2.25 116.57 117.30 1xl8 h LYS 384 Ca 0.04 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1xl8 h LYS 384 Cb 0.50 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1xl8 h LYS 384 CO 0.02 0.70 0.16 0.00 -2.27 0.00 0.00 179.45 178.07 1xl8 h ALA 385 N 0.96 0.37 -0.28 5.00 0.00 -1.18 -1.30 119.26 122.83 1xl8 h ALA 385 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1xl8 h ALA 385 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xl8 h ALA 385 CO 0.00 -0.10 -0.18 -0.56 0.00 0.00 0.00 179.25 178.41 1xl8 h GLN 386 N 0.36 0.49 -0.06 0.00 -0.00 -1.17 -0.84 115.11 113.88 1xl8 h GLN 386 Ca 0.10 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1xl8 h GLN 386 Cb 0.05 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1xl8 h GLN 386 CO -0.02 0.65 -0.01 1.25 -0.00 0.00 0.00 178.83 180.70 1xl8 h HIS 387 N 0.44 0.13 -0.72 0.06 2.76 -1.17 -1.27 115.15 115.39 1xl8 h HIS 387 Ca 0.08 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1xl8 h HIS 387 Cb 0.56 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1xl8 h HIS 387 CO 0.02 0.42 0.28 -0.07 -1.30 0.00 0.00 177.93 177.28 1xl8 h LEU 388 N -0.20 0.97 0.14 0.26 3.38 -1.09 0.62 115.31 119.39 1xl8 h LEU 388 Ca 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xl8 h LEU 388 Cb 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xl8 h LEU 388 CO 0.00 0.87 -0.07 0.50 0.09 0.00 0.00 178.44 179.83 1xl8 h LYS 389 N 1.04 -0.18 -0.89 1.13 3.64 -1.11 -1.77 116.57 118.42 1xl8 h LYS 389 Ca 0.24 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1xl8 h LYS 389 Cb 0.20 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1xl8 h LYS 389 CO -0.02 0.08 0.59 0.00 -2.27 0.00 0.00 179.45 177.83 1xl8 h ALA 390 N 0.39 1.14 -0.15 5.00 0.00 -1.07 -2.70 119.26 121.87 1xl8 h ALA 390 Ca -0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1xl8 h ALA 390 Cb 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xl8 h ALA 390 CO 0.03 0.53 -0.31 0.00 0.00 0.00 0.00 179.25 179.50 1xl8 h ALA 391 N 1.33 1.19 0.00 0.00 0.00 -0.81 -2.92 119.26 118.05 1xl8 h ALA 391 Ca 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xl8 h ALA 391 Cb -0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xl8 h ALA 391 CO -0.07 0.53 -0.02 0.66 0.00 0.00 0.00 179.25 180.34 1xl8 h SER 392 N 0.27 0.00 0.00 0.00 4.64 -0.97 -1.18 113.55 116.31 1xl8 h SER 392 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1xl8 h SER 392 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1xl8 h SER 392 CO 0.05 0.02 0.00 -0.67 -0.87 0.00 0.00 176.83 175.37 1xl8 n ASP 393 N -3.84 0.00 -4.69 4.97 2.03 -1.10 -4.83 116.55 109.09 1xl8 n ASP 393 Ca -0.03 -1.14 -0.40 0.00 0.52 0.00 0.00 54.79 53.75 1xl8 n ASP 393 Cb 0.11 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.86 4.23 -0.15 -2.67 2.96 -0.45 -0.76 118.68 119.99 1xl8 s LEU 394 Ca 0.41 0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 55.27 1xl8 s LEU 394 Cb 0.19 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1xl8 s LEU 394 CO 0.32 -0.17 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.00 1xl8 s GLN 395 N 1.27 3.52 -0.01 1.98 -0.21 0.57 -4.90 119.66 121.88 1xl8 s GLN 395 Ca 0.32 -0.60 0.07 0.00 0.02 0.00 0.00 55.36 55.16 1xl8 s GLN 395 Cb -0.16 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 31.04 1xl8 s GLN 395 CO 0.13 0.20 -0.21 0.42 -2.12 0.00 0.00 175.29 173.71 1xl8 s ILE 396 N 0.43 1.67 -0.10 1.08 -1.09 -1.26 -1.52 121.20 120.41 1xl8 s ILE 396 Ca -0.07 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.39 1xl8 s ILE 396 Cb -0.15 -1.40 0.04 0.00 -1.58 0.00 0.00 42.46 39.37 1xl8 s ILE 396 CO 0.04 0.43 0.02 0.00 -1.23 0.00 0.00 174.94 174.20 1xl8 s ALA 397 N -0.54 0.71 -0.09 9.38 0.00 0.25 -4.91 121.76 126.55 1xl8 s ALA 397 Ca 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1xl8 s ALA 397 Cb -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.22 1xl8 s ALA 397 CO -0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 175.76 175.02 1xl8 s ALA 398 N 1.98 1.25 0.22 0.00 0.00 -1.26 -0.00 121.76 123.94 1xl8 s ALA 398 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1xl8 s ALA 398 Cb -0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1xl8 s ALA 398 CO -0.06 -0.19 0.20 -1.12 0.00 0.00 0.00 175.76 174.59 1xl8 s SER 399 N 1.27 0.21 -0.09 0.00 0.01 -0.80 -4.62 113.70 109.67 1xl8 s SER 399 Ca -0.03 -1.34 0.04 0.00 1.31 0.00 0.00 55.95 55.92 1xl8 s SER 399 Cb -0.14 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 66.51 1xl8 s SER 399 CO -0.03 -0.90 -0.21 -0.89 0.41 0.00 0.00 173.24 171.61 1xl8 s THR 400 N -4.08 2.36 -0.59 1.44 2.01 -1.26 -1.70 115.64 113.81 1xl8 s THR 400 Ca 0.36 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 61.29 1xl8 s THR 400 Cb 0.05 -1.92 0.15 0.00 0.01 0.00 0.00 72.50 70.80 1xl8 s THR 400 CO 0.13 0.56 0.53 0.12 -0.69 0.00 0.00 174.62 175.26 1xl8 s PHE 401 N 0.13 3.38 -0.78 4.92 5.36 0.52 -4.92 117.98 126.59 1xl8 s PHE 401 Ca -0.11 -1.56 0.26 0.00 -0.96 0.00 0.00 56.93 54.57 1xl8 s PHE 401 Cb -0.16 -3.74 0.74 0.00 -0.34 0.00 0.00 43.02 39.51 1xl8 s PHE 401 CO 0.06 -1.01 1.65 0.25 -1.46 0.00 0.00 175.22 174.71 1xl8 n THR 402 N 4.90 0.36 -0.35 0.12 -2.24 -1.26 -1.67 114.28 114.14 1xl8 n THR 402 Ca -0.07 -0.20 0.15 0.00 -2.27 0.00 0.00 64.05 61.66 1xl8 n THR 402 Cb 0.41 -0.36 0.36 0.00 -2.10 0.00 0.00 70.33 68.64 1xl8 n THR 402 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xl8 h SER 403 N 0.00 0.73 -4.80 3.42 0.02 -1.91 -3.44 113.55 107.56 1xl8 h SER 403 Ca 0.00 0.11 0.30 0.00 -0.84 0.00 0.00 61.79 61.36 1xl8 h SER 403 Cb 0.67 -0.02 -0.17 0.00 0.14 0.00 0.00 62.40 63.03 1xl8 h SER 403 CO 0.00 0.21 0.86 0.72 -1.14 0.00 0.00 176.83 177.48 1xl8 s PHE 404 N -5.80 -0.07 0.00 3.45 -0.12 -1.25 -5.00 117.98 109.19 1xl8 s PHE 404 Ca -0.11 0.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1xl8 s PHE 404 Cb 0.26 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 43.17 1xl8 s PHE 404 CO 0.80 -0.17 0.00 0.41 -0.05 0.00 0.00 175.22 176.21 1xl8 n GLY 405 N -0.23 4.83 0.10 1.99 0.00 -1.23 -3.63 105.19 107.02 1xl8 n GLY 405 Ca -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 1xl8 n GLY 405 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xl8 h LYS 406 N 0.00 0.00 -0.31 1.61 2.10 -1.14 -3.04 116.57 115.78 1xl8 h LYS 406 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xl8 h LYS 406 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1xl8 h LYS 406 CO 0.00 0.79 0.00 1.63 -2.00 0.00 0.00 179.45 179.87 1xl8 n LYS 407 N -3.50 0.55 0.01 0.07 5.02 -0.40 -2.48 118.16 117.44 1xl8 n LYS 407 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xl8 n LYS 407 Cb 0.79 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 1xl8 n LYS 407 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xl8 n LEU 408 N -0.09 -0.00 0.30 -0.35 0.00 -1.22 -4.66 117.00 110.99 1xl8 n LEU 408 Ca 0.00 0.05 0.17 0.00 0.00 0.00 0.00 56.01 56.23 1xl8 n LEU 408 Cb 0.08 0.04 0.97 0.00 0.00 0.00 0.00 43.42 44.51 1xl8 n LEU 408 CO 0.00 -0.48 1.12 0.71 0.00 0.00 0.00 177.39 178.74 1xl8 h THR 409 N 0.00 0.36 0.00 1.96 1.35 -1.58 0.62 112.91 115.62 1xl8 h THR 409 Ca 0.00 -0.10 -0.19 0.00 -0.55 0.00 0.00 66.41 65.57 1xl8 h THR 409 Cb 0.11 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 1xl8 h THR 409 CO 0.00 0.02 -0.92 0.11 -0.25 0.00 0.00 175.52 174.48 1xl8 h LYS 410 N 0.00 0.00 0.00 4.72 1.79 -1.51 0.54 116.57 122.11 1xl8 h LYS 410 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1xl8 h LYS 410 Cb 0.07 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1xl8 h LYS 410 CO 0.00 0.92 -0.08 0.93 -1.08 0.00 0.00 179.45 180.13 1xl8 h GLU 411 N 0.00 0.00 -0.62 3.15 5.08 -1.11 0.40 114.58 121.48 1xl8 h GLU 411 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xl8 h GLU 411 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1xl8 h GLU 411 CO 0.12 0.08 0.00 0.39 -1.00 0.00 0.00 179.01 178.60 1xl8 n GLU 412 N -3.80 2.97 -2.93 2.33 -0.58 -1.15 -4.91 120.64 112.57 1xl8 n GLU 412 Ca -0.02 -2.25 -0.21 0.00 -0.42 0.00 0.00 57.16 54.26 1xl8 n GLU 412 Cb 0.18 -1.69 0.03 0.00 -0.57 0.00 0.00 31.44 29.40 1xl8 n GLU 412 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xl8 n ALA 413 N 0.96 -0.90 -4.02 0.62 0.00 0.14 -4.99 120.51 112.32 1xl8 n ALA 413 Ca 0.20 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.58 1xl8 n ALA 413 Cb 0.67 -3.62 -0.15 0.00 0.00 0.00 0.00 19.45 16.34 1xl8 n ALA 413 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xl8 s LEU 414 N -6.38 2.62 0.13 0.00 1.43 0.17 -4.99 118.68 111.68 1xl8 s LEU 414 Ca 0.26 -0.84 -0.33 0.00 -1.03 0.00 0.00 54.13 52.20 1xl8 s LEU 414 Cb -0.12 -1.54 -0.12 0.00 0.03 0.00 0.00 46.19 44.44 1xl8 s LEU 414 CO 0.33 -0.06 1.72 1.57 0.23 0.00 0.00 176.35 180.13 1xl8 n HIS 415 N 4.59 2.49 -0.23 0.29 -0.00 -1.26 -3.46 115.22 117.64 1xl8 n HIS 415 Ca -0.19 0.07 0.05 0.00 -0.00 0.00 0.00 57.72 57.66 1xl8 n HIS 415 Cb 0.48 -2.64 0.30 0.00 -0.00 0.00 0.00 29.99 28.13 1xl8 n HIS 415 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1xl8 h PRO 416 N 7.21 0.85 0.04 1.57 0.13 -1.92 -1.34 132.00 138.53 1xl8 h PRO 416 Ca -0.45 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xl8 h PRO 416 Cb 1.23 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xl8 h PRO 416 CO 0.93 0.56 -0.02 0.22 -0.23 0.00 0.00 178.00 179.46 1xl8 h ASP 417 N 0.87 -0.04 -0.75 1.44 3.58 -2.00 -1.97 116.42 117.55 1xl8 h ASP 417 Ca 0.34 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 57.57 1xl8 h ASP 417 Cb 0.22 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 1xl8 h ASP 417 CO -0.12 0.25 0.49 0.74 -2.88 0.00 0.00 179.24 177.72 1xl8 h THR 418 N -0.33 1.08 -0.20 2.25 2.02 -1.91 -0.98 112.91 114.85 1xl8 h THR 418 Ca -0.00 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1xl8 h THR 418 Cb 0.31 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1xl8 h THR 418 CO 0.01 0.16 0.03 0.15 0.37 0.00 0.00 175.52 176.23 1xl8 h PHE 419 N 0.87 0.04 -0.54 3.16 3.57 -0.99 -0.45 116.94 122.60 1xl8 h PHE 419 Ca 0.31 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 1xl8 h PHE 419 Cb 0.12 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1xl8 h PHE 419 CO -0.00 0.01 -0.11 0.82 -2.23 0.00 0.00 178.31 176.79 1xl8 h ILE 420 N 0.10 1.27 -0.12 1.41 2.04 -0.72 -0.80 117.51 120.68 1xl8 h ILE 420 Ca 0.09 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1xl8 h ILE 420 Cb 0.09 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1xl8 h ILE 420 CO -0.13 0.45 0.07 1.56 0.00 0.00 0.00 178.15 180.11 1xl8 h GLN 421 N 0.91 0.17 -0.35 2.37 1.08 -0.85 0.12 115.11 118.55 1xl8 h GLN 421 Ca 0.14 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.23 1xl8 h GLN 421 Cb 0.69 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 1xl8 h GLN 421 CO 0.05 0.17 -0.16 -0.07 -0.95 0.00 0.00 178.83 177.87 1xl8 h LEU 422 N 0.13 0.63 -0.68 1.46 3.38 -1.04 -1.50 115.31 117.69 1xl8 h LEU 422 Ca 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xl8 h LEU 422 Cb 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1xl8 h LEU 422 CO -0.01 0.81 0.38 0.00 0.09 0.00 0.00 178.44 179.71 1xl8 h ALA 423 N 1.25 0.87 -0.81 1.53 0.00 -0.71 -1.58 119.26 119.81 1xl8 h ALA 423 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xl8 h ALA 423 Cb 0.60 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1xl8 h ALA 423 CO 0.04 0.37 0.43 1.25 0.00 0.00 0.00 179.25 181.34 1xl8 h LEU 424 N 0.93 1.02 -0.22 0.00 5.85 -0.20 0.13 115.31 122.82 1xl8 h LEU 424 Ca 0.24 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1xl8 h LEU 424 Cb 0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1xl8 h LEU 424 CO -0.04 0.84 0.13 1.56 -0.34 0.00 0.00 178.44 180.58 1xl8 h GLN 425 N 1.14 0.26 -0.43 1.25 1.08 -0.68 0.45 115.11 118.17 1xl8 h GLN 425 Ca 0.28 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1xl8 h GLN 425 Cb 0.06 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1xl8 h GLN 425 CO -0.04 0.17 0.09 1.25 -0.95 0.00 0.00 178.83 179.35 1xl8 h LEU 426 N 0.27 0.66 -0.55 1.46 5.85 -0.72 0.72 115.31 123.00 1xl8 h LEU 426 Ca 0.08 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1xl8 h LEU 426 Cb -0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1xl8 h LEU 426 CO -0.04 0.73 0.32 0.00 -0.34 0.00 0.00 178.44 179.12 1xl8 h ALA 427 N 0.95 0.71 -0.34 1.25 0.00 -0.49 0.45 119.26 121.80 1xl8 h ALA 427 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1xl8 h ALA 427 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xl8 h ALA 427 CO 0.00 0.03 -0.44 -0.92 0.00 0.00 0.00 179.25 177.92 1xl8 h TYR 428 N 0.64 1.10 -0.71 0.00 5.03 -0.75 -1.31 116.97 120.98 1xl8 h TYR 428 Ca 0.22 -0.36 0.03 0.00 2.58 0.00 0.00 58.73 61.20 1xl8 h TYR 428 Cb 0.04 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.06 1xl8 h TYR 428 CO -0.07 1.18 0.45 -0.92 -1.32 0.00 0.00 178.16 177.48 1xl8 h TYR 429 N 0.70 0.84 -0.24 -3.82 5.03 -0.37 -0.60 116.97 118.51 1xl8 h TYR 429 Ca 0.04 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.17 1xl8 h TYR 429 Cb 1.04 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.05 1xl8 h TYR 429 CO 0.07 0.49 -0.64 0.00 -1.32 0.00 0.00 178.16 176.76 1xl8 h ARG 430 N 0.88 0.84 -0.21 1.82 3.08 -0.87 -0.60 114.38 119.32 1xl8 h ARG 430 Ca 0.28 -0.59 -0.12 0.00 0.07 0.00 0.00 59.98 59.62 1xl8 h ARG 430 Cb -0.00 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1xl8 h ARG 430 CO -0.10 1.21 -0.35 1.25 -1.07 0.00 0.00 179.97 180.91 1xl8 h LEU 431 N 0.62 0.68 -1.87 3.04 5.85 -0.95 -3.35 115.31 119.33 1xl8 h LEU 431 Ca -0.01 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1xl8 h LEU 431 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1xl8 h LEU 431 CO 0.14 1.08 0.00 1.41 -0.34 0.00 0.00 178.44 180.73 1xl8 n HIS 432 N -4.27 0.14 -2.38 1.25 8.25 -0.26 -5.01 115.22 112.94 1xl8 n HIS 432 Ca -0.05 -0.15 -0.20 0.00 -0.26 0.00 0.00 57.72 57.06 1xl8 n HIS 432 Cb 0.51 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.60 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 0.64 -0.44 3.50 -1.41 0.00 -0.24 -4.98 105.19 102.26 1xl8 n GLY 433 Ca 0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.99 0.95 0.27 1.61 1.70 -1.20 -5.04 118.95 112.25 1xl8 s ARG 434 Ca 0.00 -0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 1xl8 s ARG 434 Cb -0.00 0.44 -0.11 0.00 -0.57 0.00 0.00 34.95 34.71 1xl8 s ARG 434 CO 0.00 -0.38 1.49 -2.14 -1.08 0.00 0.00 175.30 173.20 1xl8 s PRO 435 N -2.60 4.22 -0.42 3.89 0.02 -1.26 -4.09 135.00 134.76 1xl8 s PRO 435 Ca -0.00 2.40 -0.15 0.00 0.02 0.00 0.00 61.00 63.27 1xl8 s PRO 435 Cb -0.01 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.48 1xl8 s PRO 435 CO -0.05 -0.49 0.32 0.20 -0.33 0.00 0.00 177.00 176.65 1xl8 s GLY 436 N 0.35 2.01 0.16 0.52 0.00 -1.26 -5.03 107.32 104.08 1xl8 s GLY 436 Ca 0.60 -1.84 -0.34 0.00 0.00 0.00 0.00 44.72 43.14 1xl8 s GLY 436 CO 0.46 0.95 1.52 0.00 0.00 0.00 0.00 173.10 176.03 1xl8 s TYR 439 N -0.44 3.03 -0.11 0.00 6.14 0.10 -3.10 117.35 122.98 1xl8 s TYR 439 Ca 0.06 -0.61 0.03 0.00 0.64 0.00 0.00 57.07 57.19 1xl8 s TYR 439 Cb -0.07 -2.16 0.01 0.00 0.42 0.00 0.00 41.96 40.16 1xl8 s TYR 439 CO -0.00 -0.40 -0.20 -2.00 0.64 0.00 0.00 175.55 173.59 1xl8 s GLU 440 N 1.43 2.68 0.16 4.97 2.12 -0.26 -0.01 118.70 129.79 1xl8 s GLU 440 Ca 0.05 -0.74 -0.31 0.00 0.36 0.00 0.00 54.97 54.33 1xl8 s GLU 440 Cb -0.15 -2.12 -0.09 0.00 0.26 0.00 0.00 34.13 32.04 1xl8 s GLU 440 CO 0.01 0.07 1.41 0.99 -0.54 0.00 0.00 175.26 177.20 1xl8 s THR 441 N 0.62 3.06 0.00 -1.70 2.01 -0.77 -0.83 115.64 118.03 1xl8 s THR 441 Ca -0.13 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1xl8 s THR 441 Cb -0.17 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1xl8 s THR 441 CO 0.04 0.08 0.00 0.00 -0.69 0.00 0.00 174.62 174.05 1xl8 n ALA 442 N 3.43 0.00 -2.37 7.40 0.00 -0.65 -4.71 120.51 123.60 1xl8 n ALA 442 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 1xl8 n ALA 442 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 1.08 0.00 -2.24 -0.81 -0.29 114.28 112.02 1xl8 n THR 444 Ca 0.00 -0.39 0.04 0.00 -2.27 0.00 0.00 64.05 61.44 1xl8 n THR 444 Cb 0.00 0.63 0.26 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.60 0.54 0.21 -0.78 1.74 -1.26 -2.29 116.66 114.22 1xl8 n ARG 445 Ca -0.11 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.05 1xl8 n ARG 445 Cb 0.64 -1.26 0.43 0.00 -1.02 0.00 0.00 32.46 31.26 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 -2.40 -1.55 0.05 -1.87 0.36 116.97 111.56 1xl8 h TYR 446 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.26 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 0.30 -0.50 -0.06 -1.05 0.00 0.00 178.16 176.84 1xl8 s PHE 447 N -3.78 3.27 -0.09 4.88 0.08 -0.97 -4.25 117.98 117.12 1xl8 s PHE 447 Ca -0.01 -0.02 -0.36 0.00 0.12 0.00 0.00 56.93 56.66 1xl8 s PHE 447 Cb 0.12 -1.52 -0.13 0.00 -0.57 0.00 0.00 43.02 40.91 1xl8 s PHE 447 CO 0.66 0.50 1.76 0.98 -0.10 0.00 0.00 175.22 179.02 1xl8 n TYR 448 N -0.89 2.19 -2.09 0.36 4.19 -0.06 -0.53 117.16 120.33 1xl8 n TYR 448 Ca -0.08 0.23 -0.14 0.00 3.31 0.00 0.00 57.90 61.22 1xl8 n TYR 448 Cb 0.56 -2.57 -0.02 0.00 0.49 0.00 0.00 39.34 37.80 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 5.54 -1.03 -2.04 2.98 8.25 -1.26 -4.61 115.22 123.05 1xl8 n HIS 449 Ca 0.23 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.28 1xl8 n HIS 449 Cb 0.24 -2.82 -0.02 0.00 1.12 0.00 0.00 29.99 28.51 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 -2.07 2.67 0.00 -1.41 0.00 0.31 -4.90 107.32 101.92 1xl8 s GLY 450 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.04 1xl8 s GLY 450 CO 0.00 2.12 0.00 0.54 0.00 0.00 0.00 173.10 175.76 1xl8 n ARG 451 N 1.51 0.00 -3.97 2.90 1.74 -1.26 -4.18 116.66 113.40 1xl8 n ARG 451 Ca 0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 1xl8 n ARG 451 Cb 0.41 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.78 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 0.06 0.13 0.55 -4.23 -1.26 -1.92 115.64 108.96 1xl8 s THR 452 Ca 0.00 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1xl8 s THR 452 Cb 0.00 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1xl8 s THR 452 CO 0.00 -0.28 -0.03 -0.70 -0.54 0.00 0.00 174.62 173.07 1xl8 s GLU 453 N -3.97 0.94 -0.17 3.99 2.56 0.60 -4.84 118.70 117.81 1xl8 s GLU 453 Ca 0.18 -1.42 -0.10 0.00 0.00 0.00 0.00 54.97 53.63 1xl8 s GLU 453 Cb 0.03 -0.18 -0.05 0.00 2.00 0.00 0.00 34.13 35.94 1xl8 s GLU 453 CO 0.00 -0.08 0.18 0.99 -0.56 0.00 0.00 175.26 175.79 1xl8 s THR 454 N -3.68 5.40 -0.22 -1.70 2.01 -1.26 -1.63 115.64 114.54 1xl8 s THR 454 Ca 0.17 0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 1xl8 s THR 454 Cb 0.06 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1xl8 s THR 454 CO -0.01 0.48 0.03 -0.69 -0.69 0.00 0.00 174.62 173.73 1xl8 s VAL 455 N 0.01 4.04 -0.93 3.82 1.01 -0.01 -4.71 120.40 123.63 1xl8 s VAL 455 Ca 0.12 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1xl8 s VAL 455 Cb -0.12 -2.86 0.17 0.00 0.00 0.00 0.00 36.38 33.57 1xl8 s VAL 455 CO 0.01 0.39 1.05 -0.13 0.00 0.00 0.00 175.10 176.42 1xl8 s ARG 456 N 1.33 3.66 0.60 2.72 0.52 -1.26 -1.10 118.95 125.42 1xl8 s ARG 456 Ca 0.04 -2.09 0.31 0.00 -0.52 0.00 0.00 55.73 53.47 1xl8 s ARG 456 Cb -0.15 -4.77 1.87 0.00 0.52 0.00 0.00 34.95 32.42 1xl8 s ARG 456 CO 0.02 -1.61 2.26 0.77 0.02 0.00 0.00 175.30 176.76 1xl8 h SER 457 N 8.30 0.00 -0.64 0.23 0.02 -1.93 -3.35 113.55 116.19 1xl8 h SER 457 Ca 0.16 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.39 1xl8 h SER 457 Cb 1.01 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.47 1xl8 h SER 457 CO 1.01 0.01 2.58 0.00 -1.14 0.00 0.00 176.83 179.28 1xl8 s THR 459 N 2.57 2.81 0.20 0.00 -4.23 -1.26 -4.84 115.64 110.90 1xl8 s THR 459 Ca 0.46 -0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.65 1xl8 s THR 459 Cb 0.10 -3.16 0.15 0.00 1.34 0.00 0.00 72.50 70.92 1xl8 s THR 459 CO -0.03 -0.16 1.83 0.58 -0.54 0.00 0.00 174.62 176.29 1xl8 h VAL 460 N -0.37 1.22 -0.17 2.29 2.07 -1.93 -1.51 116.25 117.85 1xl8 h VAL 460 Ca -0.45 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1xl8 h VAL 460 Cb 1.29 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1xl8 h VAL 460 CO 0.60 0.24 0.09 -0.33 0.02 0.00 0.00 177.57 178.19 1xl8 h GLU 461 N 1.03 0.24 -0.65 1.57 3.07 -1.94 -0.84 114.58 117.07 1xl8 h GLU 461 Ca 0.26 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1xl8 h GLU 461 Cb 0.02 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1xl8 h GLU 461 CO -0.04 0.25 0.40 0.00 -1.40 0.00 0.00 179.01 178.21 1xl8 h ALA 462 N 0.98 1.48 -0.15 3.43 0.00 -1.80 -1.32 119.26 121.89 1xl8 h ALA 462 Ca 0.06 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1xl8 h ALA 462 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xl8 h ALA 462 CO -0.01 0.46 -0.49 0.28 0.00 0.00 0.00 179.25 179.49 1xl8 h VAL 463 N 0.89 1.34 -0.88 0.00 2.07 -1.03 -1.01 116.25 117.62 1xl8 h VAL 463 Ca 0.23 -1.76 0.03 0.00 0.82 0.00 0.00 66.70 66.02 1xl8 h VAL 463 Cb -0.05 2.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1xl8 h VAL 463 CO -0.05 0.54 0.57 0.03 0.02 0.00 0.00 177.57 178.69 1xl8 h ARG 464 N 0.24 1.08 -0.38 1.57 3.08 -0.89 0.03 114.38 119.11 1xl8 h ARG 464 Ca -0.02 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1xl8 h ARG 464 Cb 1.12 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1xl8 h ARG 464 CO 0.10 0.72 0.11 2.35 -1.07 0.00 0.00 179.97 182.18 1xl8 h TRP 465 N 1.12 0.62 -0.66 3.04 7.01 -1.13 -1.63 115.95 124.32 1xl8 h TRP 465 Ca 0.35 -0.07 0.03 0.00 2.11 0.00 0.00 58.89 61.31 1xl8 h TRP 465 Cb -0.01 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 26.83 1xl8 h TRP 465 CO -0.02 0.59 0.41 0.00 -2.79 0.00 0.00 178.44 176.64 1xl8 h GLN 467 N 0.81 0.61 -1.88 0.00 4.20 -0.82 -2.90 115.11 115.13 1xl8 h GLN 467 Ca 0.26 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xl8 h GLN 467 Cb 0.01 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1xl8 h GLN 467 CO -0.10 0.58 0.00 -1.13 -0.67 0.00 0.00 178.83 177.51 1xl8 n SER 468 N -4.31 2.21 0.00 1.46 3.41 -0.63 -1.91 113.62 113.86 1xl8 n SER 468 Ca 0.02 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1xl8 n SER 468 Cb 0.21 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.51 0.00 -3.54 4.33 1.13 -1.10 -4.70 117.38 115.02 1xl8 n GLN 470 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1xl8 n GLN 470 Cb 0.23 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.48 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 5.95 0.03 1.08 -1.08 -0.80 -4.96 116.67 116.89 1xl8 s ASP 471 Ca 0.00 -0.66 0.08 0.00 -0.52 0.00 0.00 52.55 51.45 1xl8 s ASP 471 Cb 0.00 -2.11 0.35 0.00 -1.46 0.00 0.00 42.92 39.70 1xl8 s ASP 471 CO 0.00 -0.31 1.25 -0.81 0.52 0.00 0.00 175.17 175.82 1xl8 n PRO 472 N 5.09 0.02 0.00 4.34 -0.04 -1.26 -1.08 135.00 142.06 1xl8 n PRO 472 Ca -0.12 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 1xl8 n PRO 472 Cb 0.48 -1.55 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1xl8 n PRO 472 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xl8 n SER 473 N -1.58 1.05 -4.68 3.54 7.64 -1.26 -4.90 113.62 113.43 1xl8 n SER 473 Ca 0.01 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.61 1xl8 n SER 473 Cb 0.08 0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.81 1xl8 n SER 473 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xl8 s ALA 474 N -2.84 3.47 0.64 -0.43 0.00 -0.24 -5.05 121.76 117.31 1xl8 s ALA 474 Ca 0.13 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 1xl8 s ALA 474 Cb 0.17 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1xl8 s ALA 474 CO 0.72 -0.51 1.04 -1.54 0.00 0.00 0.00 175.76 175.47 1xl8 s SER 475 N 1.09 5.89 0.42 0.00 1.04 -1.26 -4.88 113.70 115.99 1xl8 s SER 475 Ca 0.37 1.53 0.11 0.00 0.48 0.00 0.00 55.95 58.44 1xl8 s SER 475 Cb -0.17 -2.49 0.94 0.00 0.10 0.00 0.00 66.02 64.40 1xl8 s SER 475 CO 0.14 -1.10 2.00 -0.07 0.98 0.00 0.00 173.24 175.19 1xl8 h LEU 476 N -0.37 0.44 -0.39 2.42 4.07 -1.99 -1.41 115.31 118.08 1xl8 h LEU 476 Ca -0.44 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.48 1xl8 h LEU 476 Cb 1.20 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 1xl8 h LEU 476 CO 0.60 0.29 0.11 0.25 -1.08 0.00 0.00 178.44 178.60 1xl8 h LEU 477 N 0.50 0.58 -0.63 1.67 5.85 -1.96 -0.23 115.31 121.10 1xl8 h LEU 477 Ca 0.24 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xl8 h LEU 477 Cb 0.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1xl8 h LEU 477 CO -0.07 0.65 0.28 -0.08 -0.34 0.00 0.00 178.44 178.88 1xl8 h GLU 478 N 0.49 0.92 -0.65 1.25 4.81 -1.67 -0.87 114.58 118.85 1xl8 h GLU 478 Ca 0.12 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1xl8 h GLU 478 Cb 0.29 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1xl8 h GLU 478 CO -0.00 0.75 0.31 0.00 -0.73 0.00 0.00 179.01 179.34 1xl8 h ARG 479 N 0.87 0.94 -0.37 1.92 3.08 -1.05 -1.51 114.38 118.25 1xl8 h ARG 479 Ca 0.21 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1xl8 h ARG 479 Cb 0.16 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1xl8 h ARG 479 CO -0.02 0.75 0.10 0.37 -1.07 0.00 0.00 179.97 180.09 1xl8 h GLN 480 N 0.90 0.59 -0.41 0.04 4.15 -0.72 -3.09 115.11 116.57 1xl8 h GLN 480 Ca 0.22 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1xl8 h GLN 480 Cb 0.13 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1xl8 h GLN 480 CO -0.03 0.62 0.27 0.37 -1.93 0.00 0.00 178.83 178.14 1xl8 h GLN 481 N 0.45 0.54 -1.63 1.69 5.75 -0.98 -0.49 115.11 120.44 1xl8 h GLN 481 Ca 0.12 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1xl8 h GLN 481 Cb 0.29 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1xl8 h GLN 481 CO 0.00 0.36 0.00 1.63 -2.65 0.00 0.00 178.83 178.17 1xl8 n LYS 482 N -4.80 0.41 0.00 1.69 5.02 -0.58 -1.36 118.16 118.53 1xl8 n LYS 482 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1xl8 n LYS 482 Cb 0.02 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.89 0.00 0.17 -0.35 4.77 -0.19 -1.61 117.00 120.69 1xl8 n LEU 484 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1xl8 n LEU 484 Cb 0.20 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.70 1xl8 n LEU 484 CO 0.00 0.00 0.83 -0.33 -1.33 0.00 0.00 177.39 176.56 1xl8 h GLU 485 N 0.00 0.09 -0.11 3.23 5.08 -1.47 -0.34 114.58 121.06 1xl8 h GLU 485 Ca 0.00 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 1xl8 h GLU 485 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xl8 h GLU 485 CO 0.00 0.33 -0.76 0.00 -1.00 0.00 0.00 179.01 177.58 1xl8 h ALA 486 N 1.68 0.46 -0.10 3.43 0.00 -1.57 -2.25 119.26 120.91 1xl8 h ALA 486 Ca 0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xl8 h ALA 486 Cb 0.46 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xl8 h ALA 486 CO 0.03 0.72 0.05 0.74 0.00 0.00 0.00 179.25 180.79 1xl8 h PHE 487 N 0.40 0.15 -0.90 0.00 -1.00 -1.65 -1.00 116.94 112.94 1xl8 h PHE 487 Ca -0.04 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1xl8 h PHE 487 Cb 1.36 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.83 1xl8 h PHE 487 CO 0.06 0.23 0.54 0.00 -1.61 0.00 0.00 178.31 177.54 1xl8 h ALA 488 N 0.90 1.15 -0.28 2.45 0.00 -1.09 0.66 119.26 123.05 1xl8 h ALA 488 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xl8 h ALA 488 Cb 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xl8 h ALA 488 CO -0.00 0.62 0.06 -0.22 0.00 0.00 0.00 179.25 179.71 1xl8 h LYS 489 N 1.25 0.45 -0.47 0.00 1.63 -1.26 -2.48 116.57 115.69 1xl8 h LYS 489 Ca 0.32 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1xl8 h LYS 489 Cb -0.04 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1xl8 h LYS 489 CO -0.06 0.54 0.01 1.25 -3.45 0.00 0.00 179.45 177.74 1xl8 h HIS 490 N 0.29 0.89 -1.00 1.91 2.76 -0.83 -3.01 115.15 116.16 1xl8 h HIS 490 Ca 0.09 -0.15 0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1xl8 h HIS 490 Cb 0.30 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 1xl8 h HIS 490 CO 0.01 0.85 0.66 -0.91 -1.30 0.00 0.00 177.93 177.25 1xl8 h ASN 491 N 0.67 1.13 -0.22 3.26 2.35 -0.83 -3.41 115.58 118.52 1xl8 h ASN 491 Ca 0.13 -0.02 -0.39 0.00 -0.55 0.00 0.00 56.30 55.47 1xl8 h ASN 491 Cb 0.50 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.60 1xl8 h ASN 491 CO 0.02 0.81 1.23 1.17 -1.65 0.00 0.00 177.43 179.01 1xl8 n LYS 492 N -4.41 1.11 0.00 0.81 4.81 -0.94 -4.65 118.16 114.89 1xl8 n LYS 492 Ca 0.12 -2.00 0.00 0.00 -0.87 0.00 0.00 58.31 55.57 1xl8 n LYS 492 Cb 0.03 -3.41 0.00 0.00 0.02 0.00 0.00 35.03 31.67 1xl8 n LYS 492 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1xl8 n LYS 495 N 7.89 0.00 -0.09 1.64 4.81 -1.26 -4.52 118.16 126.63 1xl8 n LYS 495 Ca 0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.79 1xl8 n LYS 495 Cb 0.45 -0.04 -0.03 0.00 0.02 0.00 0.00 35.03 35.42 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 0.41 -0.32 3.14 3.32 -1.96 -1.75 116.42 119.26 1xl8 h ASP 496 Ca 0.00 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 56.87 1xl8 h ASP 496 Cb 0.00 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1xl8 h ASP 496 CO 0.00 0.51 0.16 0.00 -1.72 0.00 0.00 179.24 178.18 1xl8 h SER 498 N 0.33 0.00 -0.39 0.00 4.64 -1.85 -1.17 113.55 115.10 1xl8 h SER 498 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1xl8 h SER 498 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xl8 h SER 498 CO -0.10 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.27 1xl8 n HIS 499 N -3.03 0.52 -1.03 4.77 -0.00 -0.41 -4.54 115.22 111.50 1xl8 n HIS 499 Ca -0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.72 57.45 1xl8 n HIS 499 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.21 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 1.15 0.45 0.86 -1.41 0.00 -0.44 -4.93 105.19 100.87 1xl8 n GLY 500 Ca 0.14 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.97 2.66 -0.45 1.61 5.02 0.46 -4.42 118.16 120.07 1xl8 n LYS 501 Ca -0.01 -2.18 -0.13 0.00 -2.02 0.00 0.00 58.31 53.96 1xl8 n LYS 501 Cb 0.03 -1.37 0.11 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.91 -2.64 0.00 0.72 0.00 -1.24 -4.72 105.19 98.21 1xl8 n GLY 502 Ca 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.57 0.00 0.02 1.61 1.16 -1.26 -4.76 117.46 110.65 1xl8 n PHE 503 Ca 0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.53 1xl8 n PHE 503 Cb 0.26 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.06 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 0.03 -0.44 5.98 3.32 -1.96 -1.03 116.42 122.33 1xl8 h ASP 504 Ca 0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1xl8 h ASP 504 Cb 0.00 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1xl8 h ASP 504 CO 0.00 0.13 0.07 0.03 -1.72 0.00 0.00 179.24 177.76 1xl8 h ARG 505 N -0.08 0.79 0.18 3.56 2.47 -1.93 -1.82 114.38 117.56 1xl8 h ARG 505 Ca 0.01 -0.18 0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1xl8 h ARG 505 Cb 0.11 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 1xl8 h ARG 505 CO -0.00 0.75 -0.25 1.25 0.56 0.00 0.00 179.97 182.28 1xl8 h HIS 506 N 0.76 -0.68 -0.39 3.04 2.76 -1.79 0.51 115.15 119.35 1xl8 h HIS 506 Ca 0.16 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1xl8 h HIS 506 Cb 0.35 0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 1xl8 h HIS 506 CO 0.02 -0.36 0.21 -0.07 -1.30 0.00 0.00 177.93 176.43 1xl8 h LEU 507 N -0.50 0.47 -0.43 0.26 3.38 -0.92 -0.86 115.31 116.72 1xl8 h LEU 507 Ca 0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xl8 h LEU 507 Cb 0.49 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xl8 h LEU 507 CO -0.11 0.38 0.13 0.25 0.09 0.00 0.00 178.44 179.18 1xl8 h LEU 508 N 0.54 0.63 -0.32 1.67 5.85 -0.71 -2.05 115.31 120.93 1xl8 h LEU 508 Ca 0.14 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1xl8 h LEU 508 Cb 0.02 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1xl8 h LEU 508 CO -0.02 0.68 -0.03 1.23 -0.34 0.00 0.00 178.44 179.95 1xl8 h GLY 509 N 0.55 0.28 0.94 3.75 0.00 0.49 0.63 103.07 109.71 1xl8 h GLY 509 Ca 0.14 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1xl8 h GLY 509 CO -0.00 -0.09 0.58 1.41 0.00 0.00 0.00 176.54 178.44 1xl8 h LEU 510 N 0.05 0.99 -0.41 3.11 3.38 -1.23 -0.20 115.31 120.99 1xl8 h LEU 510 Ca 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xl8 h LEU 510 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xl8 h LEU 510 CO -0.29 0.70 0.19 0.25 0.09 0.00 0.00 178.44 179.38 1xl8 h LEU 511 N 1.16 0.54 -0.79 1.67 5.85 -0.57 -0.80 115.31 122.36 1xl8 h LEU 511 Ca 0.34 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1xl8 h LEU 511 Cb -0.06 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1xl8 h LEU 511 CO -0.10 0.52 0.26 -0.07 -0.34 0.00 0.00 178.44 178.71 1xl8 h LEU 512 N 0.52 1.08 -0.61 2.25 3.38 -0.25 0.43 115.31 122.11 1xl8 h LEU 512 Ca 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1xl8 h LEU 512 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1xl8 h LEU 512 CO -0.02 0.98 0.27 0.40 0.09 0.00 0.00 178.44 180.17 1xl8 h ILE 513 N 1.11 1.22 -0.39 1.22 2.04 -0.84 0.35 117.51 122.23 1xl8 h ILE 513 Ca 0.25 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1xl8 h ILE 513 Cb 0.28 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1xl8 h ILE 513 CO -0.01 0.26 0.13 0.00 0.00 0.00 0.00 178.15 178.52 1xl8 h ALA 514 N 1.11 0.45 -0.58 1.87 0.00 -0.38 -2.40 119.26 119.33 1xl8 h ALA 514 Ca 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xl8 h ALA 514 Cb 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xl8 h ALA 514 CO -0.02 -0.27 0.23 0.87 0.00 0.00 0.00 179.25 180.06 1xl8 h LYS 515 N 0.28 0.87 0.00 0.00 1.57 -0.37 -2.10 116.57 116.82 1xl8 h LYS 515 Ca 0.18 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xl8 h LYS 515 Cb 0.17 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xl8 h LYS 515 CO -0.19 0.75 0.00 0.93 -0.57 0.00 0.00 179.45 180.37 1xl8 h GLU 516 N 0.80 0.00 -0.71 3.15 5.08 -0.53 0.21 114.58 122.58 1xl8 h GLU 516 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xl8 h GLU 516 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xl8 h GLU 516 CO -0.02 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.38 1xl8 n GLU 517 N -2.66 3.08 -1.73 2.33 -0.58 -0.94 -4.92 120.64 115.21 1xl8 n GLU 517 Ca -0.01 -2.71 -0.20 0.00 -0.42 0.00 0.00 57.16 53.83 1xl8 n GLU 517 Cb 0.14 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.24 1xl8 n GLU 517 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xl8 n GLY 518 N 1.47 1.48 3.83 0.62 0.00 0.06 -4.96 105.19 107.69 1xl8 n GLY 518 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.88 4.13 0.97 0.99 1.43 -0.83 -5.04 118.68 115.45 1xl8 s LEU 519 Ca 0.00 1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1xl8 s LEU 519 Cb 0.00 -4.03 0.17 0.00 0.03 0.00 0.00 46.19 42.36 1xl8 s LEU 519 CO 0.00 -0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 1xl8 s PRO 520 N -2.71 0.68 -0.02 1.29 0.04 -1.26 -4.50 135.00 128.52 1xl8 s PRO 520 Ca 0.52 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1xl8 s PRO 520 Cb -0.12 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1xl8 s PRO 520 CO 0.18 -2.67 1.60 0.08 0.04 0.00 0.00 177.00 176.22 1xl8 s VAL 521 N -2.77 3.49 0.35 -0.36 1.01 -1.26 -4.91 120.40 115.95 1xl8 s VAL 521 Ca 0.65 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 1xl8 s VAL 521 Cb -0.20 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1xl8 s VAL 521 CO 0.59 -0.04 1.28 -2.65 0.00 0.00 0.00 175.10 174.28 1xl8 n PRO 522 N 6.41 2.10 0.24 2.72 -0.02 -1.26 -4.82 135.00 140.37 1xl8 n PRO 522 Ca 0.16 0.74 0.14 0.00 -2.02 0.00 0.00 63.50 62.52 1xl8 n PRO 522 Cb 0.42 -2.33 0.75 0.00 -0.02 0.00 0.00 33.50 32.32 1xl8 n PRO 522 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xl8 h GLU 523 N 2.48 0.00 -0.82 -0.52 4.11 -1.97 -1.25 114.58 116.60 1xl8 h GLU 523 Ca -0.46 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.00 1xl8 h GLU 523 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1xl8 h GLU 523 CO 0.62 0.00 0.53 1.25 0.07 0.00 0.00 179.01 181.48 1xl8 h LEU 524 N 0.00 0.87 -0.03 3.06 5.85 -1.89 -1.61 115.31 121.56 1xl8 h LEU 524 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xl8 h LEU 524 Cb 0.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xl8 h LEU 524 CO 0.00 0.60 -0.11 0.49 -0.34 0.00 0.00 178.44 179.08 1xl8 n PHE 525 N -4.58 0.00 0.35 1.25 3.01 -0.47 -3.44 117.46 113.58 1xl8 n PHE 525 Ca 0.10 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.67 1xl8 n PHE 525 Cb 0.09 -0.39 -0.14 0.00 -0.01 0.00 0.00 39.48 39.03 1xl8 n PHE 525 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1xl8 n GLU 526 N -1.41 0.42 -1.67 -1.08 1.02 -0.84 -4.80 120.64 112.29 1xl8 n GLU 526 Ca 0.09 -0.12 -0.48 0.00 -0.02 0.00 0.00 57.16 56.63 1xl8 n GLU 526 Cb 0.32 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.00 3.06 -0.34 1.62 2.03 -0.67 -4.84 116.55 115.41 1xl8 n ASP 527 Ca -0.01 1.05 0.21 0.00 0.52 0.00 0.00 54.79 56.56 1xl8 n ASP 527 Cb 0.48 -1.38 0.45 0.00 -0.72 0.00 0.00 41.12 39.95 1xl8 n ASP 527 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xl8 h PRO 528 N 6.84 0.46 0.00 -0.67 0.11 -1.91 0.18 132.00 137.01 1xl8 h PRO 528 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1xl8 h PRO 528 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xl8 h PRO 528 CO 0.90 0.30 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.85 1xl8 h LEU 529 N 0.47 0.00 -0.53 2.35 3.38 -1.94 -0.72 115.31 118.31 1xl8 h LEU 529 Ca 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.58 1xl8 h LEU 529 Cb 1.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1xl8 h LEU 529 CO -0.43 0.07 0.17 0.15 0.09 0.00 0.00 178.44 178.49 1xl8 h PHE 530 N 0.00 0.85 0.12 1.13 3.04 -0.90 -1.54 116.94 119.64 1xl8 h PHE 530 Ca -0.00 -0.08 -0.31 0.00 3.98 0.00 0.00 57.97 61.55 1xl8 h PHE 530 Cb 0.27 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1xl8 h PHE 530 CO 0.00 0.72 -1.59 0.66 -2.02 0.00 0.00 178.31 176.09 1xl8 h SER 531 N 0.73 0.39 -0.06 0.41 4.64 -1.57 -0.76 113.55 117.33 1xl8 h SER 531 Ca 0.17 -0.57 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1xl8 h SER 531 Cb 0.27 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1xl8 h SER 531 CO -0.01 1.48 0.01 -0.09 -0.87 0.00 0.00 176.83 177.35 1xl8 h ARG 532 N 0.07 0.17 -0.01 4.77 2.43 -1.11 0.69 114.38 121.38 1xl8 h ARG 532 Ca -0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1xl8 h ARG 532 Cb 2.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 1xl8 h ARG 532 CO 0.16 0.18 0.00 -1.13 -1.51 0.00 0.00 179.97 177.66 1xl8 n SER 533 N -4.44 0.27 0.00 -3.80 3.41 -0.58 -4.80 113.62 103.67 1xl8 n SER 533 Ca -0.01 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1xl8 n SER 533 Cb 0.14 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.98 2.55 3.73 5.00 0.00 0.24 -4.76 105.19 112.91 1xl8 n GLY 534 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1xl8 n GLY 534 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xl8 s GLY 535 N -2.26 2.76 0.00 -0.02 0.00 -0.29 -1.31 107.32 106.20 1xl8 s GLY 535 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1xl8 s GLY 535 CO 0.00 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.28 1xl8 n GLY 536 N 0.81 0.51 3.15 0.20 0.00 -1.26 -3.88 105.19 104.71 1xl8 n GLY 536 Ca 0.15 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.98 -0.25 0.77 -0.02 0.00 -1.22 -4.95 105.19 98.54 1xl8 n GLY 537 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.08 2.50 -4.66 1.61 3.02 -0.43 -4.61 115.26 110.61 1xl8 n ASN 538 Ca 0.00 -3.55 -0.43 0.00 -0.03 0.00 0.00 54.58 50.57 1xl8 n ASN 538 Cb 0.55 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 -3.10 2.99 -0.44 3.10 0.40 -1.23 -4.46 117.98 115.23 1xl8 s PHE 539 Ca 0.40 1.13 0.26 0.00 -0.60 0.00 0.00 56.93 58.12 1xl8 s PHE 539 Cb 0.36 -3.44 0.97 0.00 0.51 0.00 0.00 43.02 41.42 1xl8 s PHE 539 CO 0.00 -1.39 1.76 -0.39 0.70 0.00 0.00 175.22 175.90 1xl8 h VAL 540 N 5.43 0.00 -3.55 -0.44 -1.51 -1.85 -3.39 116.25 110.95 1xl8 h VAL 540 Ca -0.26 -0.37 -0.61 0.00 -1.23 0.00 0.00 66.70 64.23 1xl8 h VAL 540 Cb 1.10 1.22 -0.38 0.00 -2.13 0.00 0.00 31.29 31.10 1xl8 h VAL 540 CO 0.96 0.00 -0.80 -0.76 -1.23 0.00 0.00 177.57 175.75 1xl8 s LEU 541 N -4.85 2.45 -0.31 4.19 1.43 -0.96 0.08 118.68 120.71 1xl8 s LEU 541 Ca 0.05 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.06 1xl8 s LEU 541 Cb 0.10 -1.20 0.04 0.00 0.03 0.00 0.00 46.19 45.15 1xl8 s LEU 541 CO 0.48 -0.20 0.05 -0.55 0.23 0.00 0.00 176.35 176.36 1xl8 s SER 542 N 1.39 5.04 0.14 2.29 0.15 -0.61 0.02 113.70 122.12 1xl8 s SER 542 Ca -0.04 -1.10 -0.01 0.00 0.70 0.00 0.00 55.95 55.51 1xl8 s SER 542 Cb -0.18 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1xl8 s SER 542 CO -0.07 -0.26 0.06 0.42 1.20 0.00 0.00 173.24 174.58 1xl8 s THR 543 N 1.36 0.12 -0.21 6.45 -4.23 0.99 -0.67 115.64 119.46 1xl8 s THR 543 Ca -0.02 -1.92 -0.28 0.00 -1.18 0.00 0.00 61.69 58.28 1xl8 s THR 543 Cb -0.19 -2.08 0.13 0.00 1.34 0.00 0.00 72.50 71.71 1xl8 s THR 543 CO 0.01 -0.44 1.05 -0.55 -0.54 0.00 0.00 174.62 174.15 1xl8 s SER 544 N -3.06 -0.36 0.09 3.99 0.15 -1.19 -1.84 113.70 111.48 1xl8 s SER 544 Ca 0.25 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.11 1xl8 s SER 544 Cb 0.07 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1xl8 s SER 544 CO 0.03 -0.26 0.93 -0.22 1.20 0.00 0.00 173.24 174.92 1xl8 s LEU 545 N -0.68 4.48 0.00 3.45 2.96 -1.26 -3.22 118.68 124.41 1xl8 s LEU 545 Ca 0.01 1.73 0.24 0.00 -0.22 0.00 0.00 54.13 55.88 1xl8 s LEU 545 Cb -0.02 -3.53 0.31 0.00 0.50 0.00 0.00 46.19 43.45 1xl8 s LEU 545 CO -0.02 -0.07 1.29 0.52 -1.32 0.00 0.00 176.35 176.75 1xl8 n VAL 546 N 2.89 0.00 0.00 1.68 0.31 0.15 -4.94 118.33 118.42 1xl8 n VAL 546 Ca 0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1xl8 n VAL 546 Cb 0.49 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 1xl8 n VAL 546 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xl8 n GLY 547 N 1.40 0.43 1.01 2.92 0.00 -1.26 -4.79 105.19 104.90 1xl8 n GLY 547 Ca 0.10 -2.23 0.03 0.00 0.00 0.00 0.00 46.02 43.92 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 1.60 0.22 -1.73 1.61 4.02 -1.26 -1.16 117.16 120.47 1xl8 n TYR 548 Ca 0.00 -1.29 -0.12 0.00 -0.01 0.00 0.00 57.90 56.48 1xl8 n TYR 548 Cb 0.00 -0.23 0.12 0.00 -0.02 0.00 0.00 39.34 39.21 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 -0.63 4.37 -1.72 7.72 4.77 -1.26 -4.94 117.00 125.31 1xl8 n LEU 549 Ca 0.17 -4.27 -0.16 0.00 -0.03 0.00 0.00 56.01 51.71 1xl8 n LEU 549 Cb 0.84 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1xl8 n LEU 549 CO -0.01 1.68 -0.17 0.54 -1.33 0.00 0.00 177.39 178.11 1xl8 n ARG 550 N -0.93 -1.52 -4.99 3.23 1.74 -1.26 -4.74 116.66 108.18 1xl8 n ARG 550 Ca 0.36 0.91 -0.32 0.00 -0.77 0.00 0.00 57.85 58.03 1xl8 n ARG 550 Cb 0.88 -5.29 -0.14 0.00 -1.02 0.00 0.00 32.46 26.89 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 -2.48 2.74 0.04 1.55 1.01 -1.26 -4.75 120.40 117.24 1xl8 s VAL 551 Ca 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1xl8 s VAL 551 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1xl8 s VAL 551 CO 0.00 0.57 -0.20 -1.58 0.00 0.00 0.00 175.10 173.90 1xl8 s GLN 552 N -0.35 1.32 0.33 2.72 2.00 -1.26 -4.72 119.66 119.71 1xl8 s GLN 552 Ca 0.03 -0.89 -0.02 0.00 -2.00 0.00 0.00 55.36 52.48 1xl8 s GLN 552 Cb -0.12 -1.41 -0.00 0.00 0.80 0.00 0.00 33.01 32.27 1xl8 s GLN 552 CO 0.02 0.36 0.44 0.20 -0.50 0.00 0.00 175.29 175.81 1xl8 s GLY 553 N -1.12 1.54 0.23 2.59 0.00 -1.26 -3.48 107.32 105.81 1xl8 s GLY 553 Ca 0.06 -1.56 -0.22 0.00 0.00 0.00 0.00 44.72 43.00 1xl8 s GLY 553 CO 0.02 -1.05 0.70 -1.34 0.00 0.00 0.00 173.10 171.42 1xl8 s VAL 554 N -3.17 0.00 0.14 1.40 -7.23 -0.68 -4.69 120.40 106.17 1xl8 s VAL 554 Ca 0.32 -0.63 -0.02 0.00 -1.81 0.00 0.00 61.98 59.84 1xl8 s VAL 554 Cb 0.00 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 1xl8 s VAL 554 CO 0.20 0.00 0.09 0.68 -0.31 0.00 0.00 175.10 175.76 1xl8 s VAL 555 N -3.81 0.09 0.88 1.32 -7.23 -1.26 -1.82 120.40 108.56 1xl8 s VAL 555 Ca 0.08 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.26 1xl8 s VAL 555 Cb -0.04 -2.06 0.12 0.00 0.56 0.00 0.00 36.38 34.96 1xl8 s VAL 555 CO -0.00 -0.41 1.17 0.68 -0.31 0.00 0.00 175.10 176.24 1xl8 s VAL 556 N -4.05 1.99 0.00 1.32 -7.23 -1.26 -4.68 120.40 106.49 1xl8 s VAL 556 Ca 0.25 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1xl8 s VAL 556 Cb 0.07 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1xl8 s VAL 556 CO 0.02 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.16 1xl8 n PRO 557 N -3.58 2.87 -0.72 4.82 -0.02 -1.26 -4.72 135.00 132.38 1xl8 n PRO 557 Ca 0.08 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.31 1xl8 n PRO 557 Cb 0.60 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.10 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 -0.19 -1.45 0.24 -1.26 -4.98 118.33 110.69 1xl8 n VAL 559 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1xl8 n VAL 559 Cb 0.00 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.47 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 -0.50 0.04 -0.93 6.34 2.76 -1.97 -1.31 115.15 119.59 1xl8 h HIS 560 Ca -0.29 0.04 -0.59 0.00 -2.20 0.00 0.00 60.37 57.33 1xl8 h HIS 560 Cb 0.91 0.07 -0.25 0.00 1.55 0.00 0.00 27.41 29.69 1xl8 h HIS 560 CO 0.15 -0.11 0.76 0.27 -1.30 0.00 0.00 177.93 177.70 1xl8 n ASN 561 N -5.22 7.37 -4.31 3.26 6.94 -1.26 -4.51 115.26 117.53 1xl8 n ASN 561 Ca 0.08 -3.60 -0.29 0.00 -0.02 0.00 0.00 54.58 50.76 1xl8 n ASN 561 Cb 0.33 -1.01 -0.08 0.00 -2.36 0.00 0.00 39.78 36.66 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 -1.23 2.84 0.14 4.83 0.00 -0.49 -4.87 107.32 108.55 1xl8 s GLY 562 Ca 0.56 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.54 1xl8 s GLY 562 CO -0.04 -1.97 -0.14 -0.19 0.00 0.00 0.00 173.10 170.76 1xl8 s TYR 563 N -3.08 1.49 -0.10 1.90 2.02 0.11 -4.48 117.35 115.21 1xl8 s TYR 563 Ca 0.15 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1xl8 s TYR 563 Cb 0.01 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1xl8 s TYR 563 CO 0.10 0.20 -0.10 0.20 -1.57 0.00 0.00 175.55 174.38 1xl8 s GLY 564 N -2.72 1.62 -0.18 0.71 0.00 -0.42 -1.58 107.32 104.75 1xl8 s GLY 564 Ca 0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 1xl8 s GLY 564 CO 0.04 -0.43 0.15 -0.12 0.00 0.00 0.00 173.10 172.74 1xl8 s PHE 565 N -0.22 -0.04 0.17 1.90 2.19 0.16 -0.58 117.98 121.56 1xl8 s PHE 565 Ca 0.02 -0.03 0.09 0.00 0.33 0.00 0.00 56.93 57.34 1xl8 s PHE 565 Cb -0.13 -0.52 -0.04 0.00 -1.31 0.00 0.00 43.02 41.02 1xl8 s PHE 565 CO 0.03 -0.54 -0.18 -0.06 1.83 0.00 0.00 175.22 176.29 1xl8 s PHE 566 N 2.23 1.83 0.22 10.12 0.08 -0.18 -3.18 117.98 129.10 1xl8 s PHE 566 Ca 0.04 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.40 1xl8 s PHE 566 Cb -0.16 -0.91 0.04 0.00 -0.57 0.00 0.00 43.02 41.43 1xl8 s PHE 566 CO -0.10 0.34 0.71 1.52 -0.10 0.00 0.00 175.22 177.58 1xl8 s TYR 567 N -2.06 -0.30 0.03 0.36 1.13 -1.20 -0.20 117.35 115.11 1xl8 s TYR 567 Ca 0.16 -0.05 -0.00 0.00 -1.41 0.00 0.00 57.07 55.77 1xl8 s TYR 567 Cb -0.06 0.65 -0.02 0.00 -1.10 0.00 0.00 41.96 41.43 1xl8 s TYR 567 CO 0.07 -1.05 -0.03 -3.38 -2.51 0.00 0.00 175.55 168.64 1xl8 s HIS 568 N -3.78 0.33 -0.19 -3.49 -3.43 -0.42 0.33 115.29 104.63 1xl8 s HIS 568 Ca 0.08 -0.64 -0.04 0.00 -0.80 0.00 0.00 55.06 53.66 1xl8 s HIS 568 Cb -0.04 -0.24 -0.02 0.00 -1.43 0.00 0.00 32.58 30.86 1xl8 s HIS 568 CO -0.00 -0.22 -0.04 0.42 -2.00 0.00 0.00 174.74 172.89 1xl8 s ILE 569 N -1.97 3.56 0.36 -5.38 1.01 -0.31 -1.67 121.20 116.80 1xl8 s ILE 569 Ca -0.11 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1xl8 s ILE 569 Cb -0.06 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1xl8 s ILE 569 CO -0.03 0.45 0.23 -0.13 0.00 0.00 0.00 174.94 175.46 1xl8 s ARG 570 N 1.01 2.50 0.28 2.79 0.52 -0.15 -4.40 118.95 121.51 1xl8 s ARG 570 Ca 0.01 -1.49 -0.01 0.00 -0.52 0.00 0.00 55.73 53.72 1xl8 s ARG 570 Cb -0.15 -2.29 0.48 0.00 0.52 0.00 0.00 34.95 33.52 1xl8 s ARG 570 CO 0.00 0.03 1.89 0.38 0.02 0.00 0.00 175.30 177.62 1xl8 h ASP 571 N 1.35 0.97 -0.01 0.23 2.03 -1.96 -2.25 116.42 116.78 1xl8 h ASP 571 Ca -0.44 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1xl8 h ASP 571 Cb 1.26 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1xl8 h ASP 571 CO 0.61 0.61 0.00 -0.90 -1.03 0.00 0.00 179.24 178.53 1xl8 n ASP 572 N -4.51 2.35 -3.59 4.15 5.75 -1.26 -1.28 116.55 118.16 1xl8 n ASP 572 Ca 0.15 -2.88 -0.06 0.00 -0.01 0.00 0.00 54.79 51.99 1xl8 n ASP 572 Cb 0.22 -0.36 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 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 -2.52 0.86 -0.03 0.11 1.70 -1.19 -3.56 118.95 114.32 1xl8 s ARG 573 Ca 0.27 -0.38 0.07 0.00 -0.47 0.00 0.00 55.73 55.21 1xl8 s ARG 573 Cb 0.23 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1xl8 s ARG 573 CO 0.03 -0.38 -0.24 -0.06 -1.08 0.00 0.00 175.30 173.56 1xl8 s PHE 574 N -3.07 2.26 -0.10 5.89 0.08 -0.67 -0.98 117.98 121.40 1xl8 s PHE 574 Ca 0.08 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.64 1xl8 s PHE 574 Cb -0.01 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 1xl8 s PHE 574 CO -0.05 -0.10 -0.20 0.08 -0.10 0.00 0.00 175.22 174.85 1xl8 s VAL 575 N -0.42 2.48 0.11 -0.44 1.01 -0.67 -0.36 120.40 122.12 1xl8 s VAL 575 Ca 0.05 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1xl8 s VAL 575 Cb -0.11 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1xl8 s VAL 575 CO 0.01 0.55 -0.17 0.68 0.00 0.00 0.00 175.10 176.16 1xl8 s VAL 576 N 0.18 1.52 -0.04 2.92 -7.23 -0.69 -1.30 120.40 115.75 1xl8 s VAL 576 Ca -0.11 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1xl8 s VAL 576 Cb -0.16 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.31 1xl8 s VAL 576 CO 0.06 -0.22 0.03 0.00 -0.31 0.00 0.00 175.10 174.65 1xl8 s ALA 577 N -1.57 0.34 -0.01 1.32 0.00 0.72 -1.91 121.76 120.65 1xl8 s ALA 577 Ca 0.07 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1xl8 s ALA 577 Cb -0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1xl8 s ALA 577 CO 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 175.76 175.33 1xl8 s SER 579 N -0.42 2.43 0.22 0.00 1.04 0.26 -0.59 113.70 116.63 1xl8 s SER 579 Ca 0.06 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 1xl8 s SER 579 Cb -0.06 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.98 1xl8 s SER 579 CO -0.00 0.00 0.67 -0.94 0.98 0.00 0.00 173.24 173.95 1xl8 s SER 580 N -2.13 -0.40 -0.24 7.02 1.04 -0.58 -1.30 113.70 117.11 1xl8 s SER 580 Ca 0.08 -0.32 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 1xl8 s SER 580 Cb -0.08 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1xl8 s SER 580 CO 0.04 -1.15 0.14 0.26 0.98 0.00 0.00 173.24 173.51 1xl8 s TRP 581 N -3.81 3.24 0.23 5.02 0.52 -1.26 -0.32 118.94 122.56 1xl8 s TRP 581 Ca 0.06 0.07 -0.06 0.00 0.02 0.00 0.00 56.10 56.19 1xl8 s TRP 581 Cb -0.04 -2.27 0.39 0.00 -1.15 0.00 0.00 33.47 30.41 1xl8 s TRP 581 CO -0.03 -0.05 1.74 0.00 0.02 0.00 0.00 176.95 178.63 1xl8 h ARG 582 N 7.75 0.44 0.00 4.98 3.08 -1.30 -1.00 114.38 128.33 1xl8 h ARG 582 Ca -0.37 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1xl8 h ARG 582 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1xl8 h ARG 582 CO 0.62 0.29 0.08 -1.13 -1.07 0.00 0.00 179.97 178.76 1xl8 n SER 583 N -4.98 0.00 -4.45 7.04 3.41 -1.26 -4.16 113.62 109.21 1xl8 n SER 583 Ca 0.12 0.41 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 1xl8 n SER 583 Cb 0.36 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.79 1xl8 n SER 583 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xl8 h PRO 585 N 8.53 1.01 -0.08 0.00 0.11 -1.85 -3.23 132.00 136.49 1xl8 h PRO 585 Ca -0.28 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1xl8 h PRO 585 Cb 1.13 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1xl8 h PRO 585 CO 0.68 0.67 -0.03 1.49 -0.21 0.00 0.00 178.00 180.60 1xl8 h GLU 586 N 1.04 -0.02 -7.26 1.05 4.81 -1.93 -3.45 114.58 108.81 1xl8 h GLU 586 Ca 0.41 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 59.15 1xl8 h GLU 586 Cb 0.22 0.01 0.05 0.00 0.63 0.00 0.00 28.75 29.66 1xl8 h GLU 586 CO -0.19 -0.01 0.39 0.95 -0.73 0.00 0.00 179.01 179.41 1xl8 s THR 587 N -6.19 4.35 -0.31 0.32 -4.23 -1.22 -5.06 115.64 103.30 1xl8 s THR 587 Ca -0.13 0.96 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1xl8 s THR 587 Cb 0.08 -3.64 0.20 0.00 1.34 0.00 0.00 72.50 70.48 1xl8 s THR 587 CO 0.67 -0.80 0.68 -0.62 -0.54 0.00 0.00 174.62 174.01 1xl8 s ASP 588 N -3.42 -1.41 0.36 3.99 -1.08 -1.26 -4.95 116.67 108.90 1xl8 s ASP 588 Ca 0.59 0.04 0.08 0.00 -0.52 0.00 0.00 52.55 52.74 1xl8 s ASP 588 Cb -0.12 1.87 0.80 0.00 -1.46 0.00 0.00 42.92 44.01 1xl8 s ASP 588 CO 0.42 -0.24 1.92 0.00 0.52 0.00 0.00 175.17 177.79 1xl8 h ALA 589 N 7.70 1.79 0.18 3.66 0.00 -1.90 -1.93 119.26 128.76 1xl8 h ALA 589 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xl8 h ALA 589 Cb 1.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1xl8 h ALA 589 CO 0.10 0.04 -0.13 1.49 0.00 0.00 0.00 179.25 180.75 1xl8 h GLU 590 N 0.71 -0.30 -0.45 0.00 4.57 -1.91 -2.20 114.58 115.00 1xl8 h GLU 590 Ca 0.37 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.50 1xl8 h GLU 590 Cb 0.50 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1xl8 h GLU 590 CO -0.15 -0.20 -0.03 0.87 -1.18 0.00 0.00 179.01 178.33 1xl8 h LYS 591 N -0.31 0.81 -0.92 1.92 1.57 -1.87 -2.37 116.57 115.40 1xl8 h LYS 591 Ca -0.01 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1xl8 h LYS 591 Cb 0.27 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1xl8 h LYS 591 CO -0.00 0.89 0.60 1.25 -0.57 0.00 0.00 179.45 181.62 1xl8 h LEU 592 N 0.66 1.01 -0.63 2.94 5.85 -1.32 -1.24 115.31 122.59 1xl8 h LEU 592 Ca 0.12 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1xl8 h LEU 592 Cb 0.54 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1xl8 h LEU 592 CO 0.03 0.70 0.22 0.58 -0.34 0.00 0.00 178.44 179.64 1xl8 h VAL 593 N 1.18 1.24 0.00 1.05 2.07 -1.27 0.11 116.25 120.63 1xl8 h VAL 593 Ca 0.36 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1xl8 h VAL 593 Cb -0.03 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1xl8 h VAL 593 CO -0.11 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1xl8 n GLN 594 N -4.41 0.13 0.00 1.57 6.02 -0.47 -1.92 117.38 118.31 1xl8 n GLN 594 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1xl8 n GLN 594 Cb 0.19 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 0.63 0.00 -0.13 5.09 3.06 0.37 -2.15 119.36 126.23 1xl8 n ILE 596 Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.12 1xl8 n ILE 596 Cb 0.04 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.21 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 1.14 -0.19 9.51 0.05 -1.64 -0.32 116.94 125.50 1xl8 h PHE 597 Ca 0.00 -0.32 -0.09 0.00 3.82 0.00 0.00 57.97 61.38 1xl8 h PHE 597 Cb 0.00 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 37.69 1xl8 h PHE 597 CO 0.00 1.15 -0.27 0.45 -0.18 0.00 0.00 178.31 179.46 1xl8 h HIS 598 N 0.80 0.39 -0.58 -0.55 3.86 -1.71 -2.59 115.15 114.77 1xl8 h HIS 598 Ca 0.08 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1xl8 h HIS 598 Cb 0.92 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1xl8 h HIS 598 CO 0.06 0.59 0.14 0.00 0.86 0.00 0.00 177.93 179.58 1xl8 h ALA 599 N 1.41 0.76 -0.76 2.45 0.00 -1.72 -1.69 119.26 119.71 1xl8 h ALA 599 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1xl8 h ALA 599 Cb 0.64 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1xl8 h ALA 599 CO 0.05 0.47 0.47 0.74 0.00 0.00 0.00 179.25 180.98 1xl8 h PHE 600 N 0.83 0.88 -0.01 0.00 0.04 -0.69 -2.90 116.94 115.10 1xl8 h PHE 600 Ca 0.18 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 1xl8 h PHE 600 Cb 0.35 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1xl8 h PHE 600 CO 0.03 0.49 0.00 0.45 -0.60 0.00 0.00 178.31 178.68 1xl8 h HIS 601 N 0.91 0.02 0.00 -0.55 3.86 -1.23 -2.43 115.15 115.73 1xl8 h HIS 601 Ca 0.31 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1xl8 h HIS 601 Cb 0.06 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1xl8 h HIS 601 CO -0.04 0.24 0.00 -0.25 0.86 0.00 0.00 177.93 178.74 1xl8 n ASP 602 N -4.97 0.00 0.00 2.45 8.00 -0.66 -0.61 116.55 120.76 1xl8 n ASP 602 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1xl8 n ASP 602 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1xl8 n ASP 602 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xl8 n ILE 604 N 0.74 0.00 -0.14 0.53 2.08 -0.91 -1.32 119.36 120.33 1xl8 n ILE 604 Ca 0.00 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.43 1xl8 n ILE 604 Cb 0.00 0.00 0.46 0.00 -0.75 0.00 0.00 39.64 39.35 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 0.49 -1.44 0.38 4.15 -1.13 -1.17 115.11 116.39 1xl8 h GLN 605 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1xl8 h GLN 605 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1xl8 h GLN 605 CO 0.00 0.32 0.00 -0.11 -1.93 0.00 0.00 178.83 177.11 1xl8 n LEU 606 N -4.48 1.11 0.00 -2.39 7.94 -0.44 -0.28 117.00 118.46 1xl8 n LEU 606 Ca 0.12 -0.56 0.00 0.00 -1.11 0.00 0.00 56.01 54.46 1xl8 n LEU 606 Cb 0.38 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1xl8 n LEU 606 CO 0.33 0.19 0.00 0.59 -1.11 0.00 0.00 177.39 177.39 1xl8 n ASN 608 N 0.73 0.00 0.18 1.96 3.02 -0.44 -3.34 115.26 117.37 1xl8 n ASN 608 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 1xl8 n ASN 608 Cb 0.19 0.00 0.58 0.00 -0.61 0.00 0.00 39.78 39.94 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 0.00 -0.00 3.41 2.02 -0.90 -3.55 112.91 113.89 1xl8 h THR 609 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xl8 h THR 609 Cb 0.00 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1xl8 h THR 609 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89