#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl1 s ILE 13 N 0.00 1.65 0.02 1.69 -4.36 -1.26 -5.08 121.20 113.86 1xl1 s ILE 13 Ca 0.00 -0.94 -0.04 0.00 -0.26 0.00 0.00 60.65 59.41 1xl1 s ILE 13 Cb 0.00 -1.38 -0.01 0.00 1.25 0.00 0.00 42.46 42.32 1xl1 s ILE 13 CO 0.00 0.43 0.96 -0.24 0.24 0.00 0.00 174.94 176.32 1xl1 n SER 14 N 2.46 -0.14 0.00 4.36 2.88 -1.26 -2.06 113.62 119.86 1xl1 n SER 14 Ca -0.15 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1xl1 n SER 14 Cb 0.53 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1xl1 n SER 14 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1xl1 n VAL 15 N -3.22 0.80 0.39 2.46 0.24 -1.26 -1.67 118.33 116.07 1xl1 n VAL 15 Ca 0.00 0.39 0.07 0.00 -2.04 0.00 0.00 64.34 62.76 1xl1 n VAL 15 Cb 0.03 -1.39 0.21 0.00 -1.47 0.00 0.00 33.84 31.23 1xl1 n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xl1 n ARG 16 N -1.15 2.34 0.00 7.34 1.74 -0.87 -5.05 116.66 121.01 1xl1 n ARG 16 Ca 0.00 -1.73 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 1xl1 n ARG 16 Cb 0.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1xl1 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xl1 n GLY 17 N 1.08 -1.16 3.89 -0.13 0.00 -0.67 -0.96 105.19 107.23 1xl1 n GLY 17 Ca 0.16 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1xl1 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl1 s LEU 18 N -2.17 4.02 -0.76 0.99 2.01 -1.26 -4.63 118.68 116.88 1xl1 s LEU 18 Ca 0.00 0.91 0.03 0.00 0.01 0.00 0.00 54.13 55.08 1xl1 s LEU 18 Cb 0.00 -3.74 0.30 0.00 0.01 0.00 0.00 46.19 42.76 1xl1 s LEU 18 CO 0.00 -0.22 1.10 0.00 1.01 0.00 0.00 176.35 178.24 1xl1 n ALA 19 N -0.81 4.75 -1.62 4.21 0.00 -1.26 -3.76 120.51 122.02 1xl1 n ALA 19 Ca 0.00 -4.74 -0.38 0.00 0.00 0.00 0.00 53.44 48.32 1xl1 n ALA 19 Cb 0.53 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.72 1xl1 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xl1 n GLY 20 N 0.48 -0.23 0.16 0.00 0.00 -1.26 -4.83 105.19 99.51 1xl1 n GLY 20 Ca 0.32 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1xl1 n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xl1 h VAL 21 N 0.71 0.76 -0.24 1.61 2.07 -1.99 -1.20 116.25 117.98 1xl1 h VAL 21 Ca -0.48 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1xl1 h VAL 21 Cb 1.36 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1xl1 h VAL 21 CO 0.52 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.90 1xl1 h GLU 22 N -0.33 0.34 0.00 1.57 3.07 -1.99 -2.55 114.58 114.68 1xl1 h GLU 22 Ca -0.03 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1xl1 h GLU 22 Cb 0.25 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1xl1 h GLU 22 CO 0.05 0.33 0.00 -2.95 -1.40 0.00 0.00 179.01 175.05 1xl1 h ASN 23 N 0.26 0.00 0.09 1.42 -1.07 -1.93 -0.63 115.58 113.71 1xl1 h ASN 23 Ca 0.08 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.24 1xl1 h ASN 23 Cb 0.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 1xl1 h ASN 23 CO -0.01 0.00 -0.80 0.58 0.07 0.00 0.00 177.43 177.26 1xl1 h VAL 24 N 0.00 1.33 -0.42 6.14 2.07 -1.09 -1.59 116.25 122.70 1xl1 h VAL 24 Ca 0.00 -2.12 -0.06 0.00 0.82 0.00 0.00 66.70 65.34 1xl1 h VAL 24 Cb 0.76 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1xl1 h VAL 24 CO 0.00 0.65 0.03 0.74 0.02 0.00 0.00 177.57 179.01 1xl1 h THR 25 N 0.39 1.25 -0.58 2.57 2.02 -1.22 -1.85 112.91 115.49 1xl1 h THR 25 Ca -0.05 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 1xl1 h THR 25 Cb 1.42 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1xl1 h THR 25 CO 0.15 0.33 0.13 -0.08 0.37 0.00 0.00 175.52 176.42 1xl1 h GLU 26 N 0.56 0.94 -0.49 6.66 4.57 -1.10 -2.32 114.58 123.40 1xl1 h GLU 26 Ca 0.12 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1xl1 h GLU 26 Cb 0.43 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1xl1 h GLU 26 CO 0.02 0.87 0.28 -0.07 -1.18 0.00 0.00 179.01 178.93 1xl1 h LEU 27 N 0.84 0.60 -0.74 1.64 3.38 -1.13 -1.60 115.31 118.31 1xl1 h LEU 27 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xl1 h LEU 27 Cb 0.36 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1xl1 h LEU 27 CO 0.00 0.50 0.48 0.11 0.09 0.00 0.00 178.44 179.62 1xl1 h LYS 28 N 0.66 0.98 -0.14 1.13 1.57 -1.12 0.81 116.57 120.46 1xl1 h LYS 28 Ca 0.18 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 1xl1 h LYS 28 Cb 0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1xl1 h LYS 28 CO -0.03 0.67 -0.59 1.57 -0.57 0.00 0.00 179.45 180.49 1xl1 h LYS 29 N 1.01 0.45 0.00 3.15 2.10 -1.18 -2.19 116.57 119.90 1xl1 h LYS 29 Ca 0.27 -0.30 -0.13 0.00 -2.00 0.00 0.00 60.65 58.48 1xl1 h LYS 29 Cb -0.09 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.26 1xl1 h LYS 29 CO -0.06 0.91 -0.63 -0.91 -2.00 0.00 0.00 179.45 176.76 1xl1 h ASN 30 N 0.34 0.00 -0.11 7.07 2.35 -1.05 0.08 115.58 124.26 1xl1 h ASN 30 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1xl1 h ASN 30 Cb 1.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 1xl1 h ASN 30 CO 0.11 0.63 0.04 0.15 -1.65 0.00 0.00 177.43 176.71 1xl1 h PHE 31 N 0.00 0.17 -0.25 1.19 3.57 -0.66 -0.74 116.94 120.21 1xl1 h PHE 31 Ca -0.01 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1xl1 h PHE 31 Cb 1.14 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1xl1 h PHE 31 CO 0.00 0.29 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.22 1xl1 h ASN 32 N -0.00 0.47 -0.61 0.41 2.35 -1.26 -1.35 115.58 115.59 1xl1 h ASN 32 Ca 0.03 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1xl1 h ASN 32 Cb 0.19 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1xl1 h ASN 32 CO -0.00 0.71 0.29 -0.09 -1.65 0.00 0.00 177.43 176.68 1xl1 h ARG 33 N 0.42 0.87 -0.20 0.81 1.12 -0.68 -1.89 114.38 114.84 1xl1 h ARG 33 Ca 0.06 -0.13 -0.20 0.00 -1.11 0.00 0.00 59.98 58.60 1xl1 h ARG 33 Cb 0.64 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1xl1 h ARG 33 CO 0.05 0.71 -0.66 0.45 -3.11 0.00 0.00 179.97 177.40 1xl1 h HIS 34 N 0.83 0.99 -0.91 2.20 3.86 -0.87 0.29 115.15 121.53 1xl1 h HIS 34 Ca 0.21 -0.40 0.06 0.00 -1.16 0.00 0.00 60.37 59.08 1xl1 h HIS 34 Cb 0.12 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 1xl1 h HIS 34 CO 0.00 1.21 0.58 1.25 0.86 0.00 0.00 177.93 181.83 1xl1 h LEU 35 N 0.55 0.92 0.03 2.43 5.85 -1.10 0.19 115.31 124.18 1xl1 h LEU 35 Ca -0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xl1 h LEU 35 Cb 1.27 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1xl1 h LEU 35 CO 0.14 0.60 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.08 1xl1 h HIS 36 N 1.06 -0.03 -0.15 1.25 2.76 -1.25 -1.56 115.15 117.23 1xl1 h HIS 36 Ca 0.39 -0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.40 1xl1 h HIS 36 Cb 0.15 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1xl1 h HIS 36 CO -0.02 -0.02 -0.59 0.74 -1.30 0.00 0.00 177.93 176.74 1xl1 h PHE 37 N -0.23 0.63 0.05 5.26 0.04 -1.01 -1.31 116.94 120.37 1xl1 h PHE 37 Ca -0.00 -0.23 -0.24 0.00 2.80 0.00 0.00 57.97 60.29 1xl1 h PHE 37 Cb 0.03 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1xl1 h PHE 37 CO 0.02 0.96 -1.30 1.15 -0.60 0.00 0.00 178.31 178.54 1xl1 h THR 38 N 0.37 0.98 0.00 -1.55 2.02 -0.84 -3.39 112.91 110.50 1xl1 h THR 38 Ca -0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1xl1 h THR 38 Cb 1.14 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1xl1 h THR 38 CO 0.11 0.54 -0.86 0.18 0.37 0.00 0.00 175.52 175.86 1xl1 n LEU 39 N -4.16 0.63 -3.46 2.58 4.32 0.15 -4.99 117.00 112.07 1xl1 n LEU 39 Ca -0.28 0.04 -0.21 0.00 -0.02 0.00 0.00 56.01 55.54 1xl1 n LEU 39 Cb 0.78 -0.14 0.06 0.00 -1.62 0.00 0.00 43.42 42.50 1xl1 n LEU 39 CO 0.30 0.03 -0.01 0.52 -1.22 0.00 0.00 177.39 177.01 1xl1 n VAL 40 N -1.94 -7.25 -4.04 4.08 0.31 -0.49 -4.98 118.33 104.01 1xl1 n VAL 40 Ca 0.03 -1.05 -0.09 0.00 -0.01 0.00 0.00 64.34 63.21 1xl1 n VAL 40 Cb 0.42 -5.34 -0.09 0.00 -0.91 0.00 0.00 33.84 27.92 1xl1 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xl1 s LYS 41 N -5.19 0.97 0.38 5.55 -0.14 -0.63 -5.02 119.74 115.67 1xl1 s LYS 41 Ca 0.37 -1.27 0.06 0.00 -1.36 0.00 0.00 55.97 53.77 1xl1 s LYS 41 Cb -0.08 0.30 -0.07 0.00 -1.68 0.00 0.00 37.83 36.30 1xl1 s LYS 41 CO 0.79 -0.30 0.03 0.16 -0.76 0.00 0.00 175.35 175.26 1xl1 s ASP 42 N -2.98 3.33 0.00 2.83 1.47 -1.26 -3.87 116.67 116.18 1xl1 s ASP 42 Ca 0.18 -1.39 0.06 0.00 1.18 0.00 0.00 52.55 52.57 1xl1 s ASP 42 Cb 0.06 -0.23 0.27 0.00 -0.34 0.00 0.00 42.92 42.68 1xl1 s ASP 42 CO -0.02 -0.53 1.11 0.54 0.68 0.00 0.00 175.17 176.96 1xl1 n ARG 43 N -0.88 0.04 0.07 2.11 5.12 -1.26 -2.04 116.66 119.82 1xl1 n ARG 43 Ca -0.05 0.32 0.05 0.00 -1.93 0.00 0.00 57.85 56.25 1xl1 n ARG 43 Cb 0.67 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.43 1xl1 n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1xl1 h ASN 44 N 0.00 0.00 0.00 0.55 2.35 -2.05 -3.38 115.58 113.04 1xl1 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xl1 h ASN 44 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1xl1 h ASN 44 CO 0.00 0.33 0.00 1.33 -1.65 0.00 0.00 177.43 177.44 1xl1 n VAL 45 N -2.83 0.00 -2.29 2.81 0.24 -1.02 -5.05 118.33 110.19 1xl1 n VAL 45 Ca -0.05 -0.47 -0.40 0.00 -2.04 0.00 0.00 64.34 61.39 1xl1 n VAL 45 Cb 0.71 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 1xl1 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xl1 s ALA 46 N -0.01 3.33 0.34 2.33 0.00 -0.87 -4.93 121.76 121.96 1xl1 s ALA 46 Ca 0.00 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.08 1xl1 s ALA 46 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1xl1 s ALA 46 CO 0.00 -0.46 0.16 0.95 0.00 0.00 0.00 175.76 176.41 1xl1 s THR 47 N -1.26 3.02 0.40 0.00 -4.23 -1.26 -4.97 115.64 107.33 1xl1 s THR 47 Ca 0.51 -1.66 0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1xl1 s THR 47 Cb -0.34 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 70.89 1xl1 s THR 47 CO 0.44 -0.17 1.78 -0.65 -0.54 0.00 0.00 174.62 175.48 1xl1 h PRO 48 N 1.51 0.41 -0.67 3.99 0.11 -1.99 0.22 132.00 135.58 1xl1 h PRO 48 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1xl1 h PRO 48 Cb 1.25 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1xl1 h PRO 48 CO 0.63 0.27 0.17 -0.09 -0.21 0.00 0.00 178.00 178.77 1xl1 h ARG 49 N 0.42 1.06 -0.88 1.05 2.43 -1.97 -0.20 114.38 116.29 1xl1 h ARG 49 Ca 0.58 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1xl1 h ARG 49 Cb 1.42 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 1xl1 h ARG 49 CO -0.28 0.95 0.55 -0.44 -1.51 0.00 0.00 179.97 179.23 1xl1 h ASP 50 N 0.99 1.05 -0.45 -3.80 3.45 -0.97 -1.25 116.42 115.44 1xl1 h ASP 50 Ca 0.21 -0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.52 1xl1 h ASP 50 Cb 0.36 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1xl1 h ASP 50 CO 0.00 0.80 -0.04 1.88 -1.57 0.00 0.00 179.24 180.31 1xl1 h TYR 51 N 1.21 0.96 -0.31 4.55 0.05 -0.82 -0.71 116.97 121.91 1xl1 h TYR 51 Ca 0.32 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 1xl1 h TYR 51 Cb -0.07 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 1xl1 h TYR 51 CO -0.00 0.89 0.18 -0.92 -1.05 0.00 0.00 178.16 177.26 1xl1 h TYR 52 N 0.81 0.41 -0.43 4.88 3.20 -0.33 -1.58 116.97 123.93 1xl1 h TYR 52 Ca 0.15 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 1xl1 h TYR 52 Cb 0.54 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1xl1 h TYR 52 CO 0.03 0.31 -0.04 0.74 -1.64 0.00 0.00 178.16 177.57 1xl1 h PHE 53 N 0.39 0.78 -0.61 -3.82 -1.00 -0.95 0.11 116.94 111.85 1xl1 h PHE 53 Ca 0.11 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1xl1 h PHE 53 Cb 0.02 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.34 1xl1 h PHE 53 CO -0.04 0.75 0.35 0.00 -1.61 0.00 0.00 178.31 177.76 1xl1 h ALA 54 N 1.28 0.78 -0.30 2.45 0.00 -0.83 0.11 119.26 122.74 1xl1 h ALA 54 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1xl1 h ALA 54 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xl1 h ALA 54 CO 0.02 0.27 -0.11 1.25 0.00 0.00 0.00 179.25 180.68 1xl1 h LEU 55 N 0.83 0.62 -0.42 0.00 5.85 -0.90 -1.55 115.31 119.73 1xl1 h LEU 55 Ca 0.22 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1xl1 h LEU 55 Cb 0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1xl1 h LEU 55 CO -0.04 0.87 0.21 0.00 -0.34 0.00 0.00 178.44 179.14 1xl1 h ALA 56 N 0.77 0.53 -0.53 1.25 0.00 -0.47 -0.52 119.26 120.29 1xl1 h ALA 56 Ca 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xl1 h ALA 56 Cb 0.62 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xl1 h ALA 56 CO 0.04 -0.15 0.06 0.45 0.00 0.00 0.00 179.25 179.65 1xl1 h HIS 57 N 0.42 0.91 -0.41 0.00 3.86 -0.93 0.48 115.15 119.48 1xl1 h HIS 57 Ca 0.18 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1xl1 h HIS 57 Cb 0.09 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1xl1 h HIS 57 CO -0.10 0.80 0.15 1.15 0.86 0.00 0.00 177.93 180.79 1xl1 h THR 58 N 0.82 1.21 -0.39 2.45 2.02 -0.47 -1.44 112.91 117.10 1xl1 h THR 58 Ca 0.16 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 1xl1 h THR 58 Cb 0.41 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1xl1 h THR 58 CO 0.01 0.24 -0.12 0.58 0.37 0.00 0.00 175.52 176.60 1xl1 h VAL 59 N 0.52 1.28 -0.99 3.16 2.07 -0.95 -2.94 116.25 118.39 1xl1 h VAL 59 Ca 0.14 -1.21 0.14 0.00 0.82 0.00 0.00 66.70 66.58 1xl1 h VAL 59 Cb 0.22 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1xl1 h VAL 59 CO -0.01 0.41 0.62 -0.09 0.02 0.00 0.00 177.57 178.51 1xl1 h ARG 60 N 0.58 0.90 -0.81 1.57 2.43 -0.68 -0.34 114.38 118.03 1xl1 h ARG 60 Ca 0.10 -0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 1xl1 h ARG 60 Cb 0.64 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 1xl1 h ARG 60 CO 0.04 0.60 0.53 -0.44 -1.51 0.00 0.00 179.97 179.19 1xl1 h ASP 61 N 0.93 0.59 0.92 -3.80 3.45 -1.08 -0.12 116.42 117.30 1xl1 h ASP 61 Ca 0.51 0.03 0.00 0.00 0.43 0.00 0.00 57.03 58.00 1xl1 h ASP 61 Cb 0.58 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1xl1 h ASP 61 CO -0.30 0.33 0.00 0.45 -1.57 0.00 0.00 179.24 178.15 1xl1 h HIS 62 N 0.64 0.00 0.19 4.55 3.86 -1.13 -3.18 115.15 120.08 1xl1 h HIS 62 Ca 0.39 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.30 1xl1 h HIS 62 Cb 0.63 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.12 1xl1 h HIS 62 CO -0.00 0.00 -1.45 -0.07 0.86 0.00 0.00 177.93 177.27 1xl1 h LEU 63 N 0.00 0.62 -0.55 2.43 3.38 -1.01 -3.40 115.31 116.78 1xl1 h LEU 63 Ca 0.00 -0.92 0.11 0.00 0.09 0.00 0.00 57.88 57.16 1xl1 h LEU 63 Cb 0.46 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 1xl1 h LEU 63 CO 0.00 1.67 -0.13 -0.37 0.09 0.00 0.00 178.44 179.70 1xl1 h VAL 64 N -0.05 0.46 -0.16 1.22 -1.51 -1.50 0.16 116.25 114.87 1xl1 h VAL 64 Ca -0.28 -0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.24 1xl1 h VAL 64 Cb 1.98 0.45 -0.05 0.00 -2.13 0.00 0.00 31.29 31.54 1xl1 h VAL 64 CO 0.18 0.00 -0.17 1.23 -1.23 0.00 0.00 177.57 177.58 1xl1 h GLY 65 N 0.01 -0.08 1.33 5.19 0.00 -1.76 0.04 103.07 107.79 1xl1 h GLY 65 Ca 0.27 0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 1xl1 h GLY 65 CO -0.56 -0.16 0.05 3.21 0.00 0.00 0.00 176.54 179.08 1xl1 h ARG 66 N -0.20 0.83 -0.32 4.80 3.08 -1.58 -2.36 114.38 118.64 1xl1 h ARG 66 Ca 0.11 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1xl1 h ARG 66 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xl1 h ARG 66 CO -0.28 0.79 0.11 2.35 -1.07 0.00 0.00 179.97 181.88 1xl1 h TRP 67 N 0.78 0.49 -0.33 3.04 7.01 -0.11 -0.18 115.95 126.66 1xl1 h TRP 67 Ca 0.16 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1xl1 h TRP 67 Cb 0.39 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1xl1 h TRP 67 CO 0.02 0.49 0.09 0.82 -2.79 0.00 0.00 178.44 177.07 1xl1 h ILE 68 N 0.36 1.22 0.00 2.65 2.04 -0.86 -2.61 117.51 120.30 1xl1 h ILE 68 Ca 0.10 -0.72 -0.12 0.00 1.00 0.00 0.00 64.86 65.13 1xl1 h ILE 68 Cb 0.21 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1xl1 h ILE 68 CO -0.01 0.24 -0.56 0.08 0.00 0.00 0.00 178.15 177.90 1xl1 h ARG 69 N 0.37 0.00 -0.05 2.37 0.11 -1.37 -1.35 114.38 114.47 1xl1 h ARG 69 Ca 0.10 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.18 1xl1 h ARG 69 Cb 0.28 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.36 1xl1 h ARG 69 CO -0.00 0.56 0.02 1.15 0.10 0.00 0.00 179.97 181.80 1xl1 h THR 70 N 0.00 1.13 -0.48 0.08 2.02 -0.93 0.26 112.91 114.98 1xl1 h THR 70 Ca -0.01 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 1xl1 h THR 70 Cb 1.11 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1xl1 h THR 70 CO 0.07 0.10 -0.01 1.56 0.37 0.00 0.00 175.52 177.61 1xl1 h GLN 71 N -0.07 0.81 -0.56 6.66 1.08 -1.40 -1.53 115.11 120.09 1xl1 h GLN 71 Ca 0.02 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 56.91 1xl1 h GLN 71 Cb 0.15 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1xl1 h GLN 71 CO -0.00 0.82 0.02 0.37 -0.95 0.00 0.00 178.83 179.09 1xl1 h GLN 72 N 0.75 0.96 -0.30 1.46 5.75 -1.05 -2.28 115.11 120.40 1xl1 h GLN 72 Ca 0.14 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1xl1 h GLN 72 Cb 0.47 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1xl1 h GLN 72 CO 0.02 0.94 0.13 1.25 -2.65 0.00 0.00 178.83 178.52 1xl1 h HIS 73 N 0.89 0.24 -0.07 3.99 2.76 0.21 -1.29 115.15 121.88 1xl1 h HIS 73 Ca 0.17 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1xl1 h HIS 73 Cb 0.50 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1xl1 h HIS 73 CO 0.03 0.13 -0.21 1.88 -1.30 0.00 0.00 177.93 178.46 1xl1 h TYR 74 N 0.28 0.12 -0.14 5.26 0.05 -1.08 -0.73 116.97 120.74 1xl1 h TYR 74 Ca 0.13 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1xl1 h TYR 74 Cb 0.06 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 1xl1 h TYR 74 CO -0.11 0.32 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.38 1xl1 h TYR 75 N 0.11 0.28 0.31 4.88 3.20 -0.81 0.18 116.97 125.13 1xl1 h TYR 75 Ca 0.02 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1xl1 h TYR 75 Cb 0.43 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1xl1 h TYR 75 CO 0.00 0.52 -0.15 0.93 -1.64 0.00 0.00 178.16 177.83 1xl1 h GLU 76 N -0.04 -0.40 0.00 1.82 4.39 -0.83 -3.20 114.58 116.32 1xl1 h GLU 76 Ca 0.04 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1xl1 h GLU 76 Cb 0.42 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1xl1 h GLU 76 CO 0.01 -0.18 -0.11 0.87 -1.16 0.00 0.00 179.01 178.43 1xl1 h LYS 77 N -0.55 0.00 -6.43 2.33 1.57 -1.23 -3.48 116.57 108.79 1xl1 h LYS 77 Ca -0.04 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.26 1xl1 h LYS 77 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1xl1 h LYS 77 CO 0.07 0.11 -0.92 -3.47 -0.57 0.00 0.00 179.45 174.67 1xl1 n ASP 78 N -3.14 -2.80 -4.64 0.86 2.03 0.65 -4.97 116.55 104.54 1xl1 n ASP 78 Ca 0.03 -1.04 -0.29 0.00 0.52 0.00 0.00 54.79 54.01 1xl1 n ASP 78 Cb 0.55 -3.05 0.14 0.00 -0.72 0.00 0.00 41.12 38.04 1xl1 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1xl1 s PRO 79 N -6.40 1.05 0.24 -0.67 0.04 -1.26 -4.97 135.00 123.03 1xl1 s PRO 79 Ca 0.25 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.12 1xl1 s PRO 79 Cb -0.10 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1xl1 s PRO 79 CO 0.89 -2.23 1.42 0.21 0.04 0.00 0.00 177.00 177.32 1xl1 s LYS 80 N -5.43 4.29 -0.09 4.56 2.20 -1.26 -4.96 119.74 119.04 1xl1 s LYS 80 Ca 0.65 2.26 -0.12 0.00 -0.36 0.00 0.00 55.97 58.40 1xl1 s LYS 80 Cb -0.12 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 1xl1 s LYS 80 CO 0.53 -0.39 0.30 1.03 -0.36 0.00 0.00 175.35 176.45 1xl1 s ARG 81 N -0.31 3.93 -0.21 4.03 3.00 0.00 -4.54 118.95 124.86 1xl1 s ARG 81 Ca 0.59 0.15 -0.07 0.00 0.00 0.00 0.00 55.73 56.41 1xl1 s ARG 81 Cb -0.41 -3.29 -0.03 0.00 0.00 0.00 0.00 34.95 31.22 1xl1 s ARG 81 CO 0.42 0.54 0.04 0.42 0.00 0.00 0.00 175.30 176.72 1xl1 s ILE 82 N -0.46 4.37 -0.28 1.52 -1.09 -0.40 -1.01 121.20 123.85 1xl1 s ILE 82 Ca 0.19 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 1xl1 s ILE 82 Cb -0.14 -2.99 0.05 0.00 -1.58 0.00 0.00 42.46 37.79 1xl1 s ILE 82 CO 0.07 0.41 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.85 1xl1 s TYR 83 N 0.94 3.22 -0.53 3.97 2.02 0.93 -0.56 117.35 127.34 1xl1 s TYR 83 Ca 0.03 -1.88 -0.18 0.00 -0.37 0.00 0.00 57.07 54.68 1xl1 s TYR 83 Cb -0.14 -2.07 0.09 0.00 -0.40 0.00 0.00 41.96 39.44 1xl1 s TYR 83 CO 0.02 -0.80 0.58 -0.47 -1.57 0.00 0.00 175.55 173.31 1xl1 s TYR 84 N 1.24 3.11 -0.17 2.71 5.04 -0.40 -0.50 117.35 128.39 1xl1 s TYR 84 Ca -0.05 -0.90 -0.20 0.00 -2.44 0.00 0.00 57.07 53.48 1xl1 s TYR 84 Cb -0.19 -3.66 -0.03 0.00 0.35 0.00 0.00 41.96 38.43 1xl1 s TYR 84 CO -0.02 -1.06 0.60 -0.51 -1.34 0.00 0.00 175.55 173.21 1xl1 s LEU 85 N 2.24 4.18 -0.05 6.97 1.02 -0.49 -1.45 118.68 131.09 1xl1 s LEU 85 Ca 0.09 0.85 -0.16 0.00 0.02 0.00 0.00 54.13 54.93 1xl1 s LEU 85 Cb -0.24 -2.86 0.03 0.00 0.02 0.00 0.00 46.19 43.14 1xl1 s LEU 85 CO 0.07 -0.21 0.36 -0.55 0.02 0.00 0.00 176.35 176.04 1xl1 s SER 86 N 1.07 -0.29 0.00 2.29 0.15 -0.71 -1.76 113.70 114.46 1xl1 s SER 86 Ca 0.29 0.33 0.27 0.00 0.70 0.00 0.00 55.95 57.54 1xl1 s SER 86 Cb -0.16 0.47 0.93 0.00 -1.71 0.00 0.00 66.02 65.55 1xl1 s SER 86 CO 0.11 -0.37 1.67 0.18 1.20 0.00 0.00 173.24 176.04 1xl1 n LEU 87 N 1.72 0.90 -3.89 3.45 4.32 -1.26 -4.05 117.00 118.19 1xl1 n LEU 87 Ca -0.19 -0.20 -0.14 0.00 -0.02 0.00 0.00 56.01 55.45 1xl1 n LEU 87 Cb 0.56 -0.13 -0.15 0.00 -1.62 0.00 0.00 43.42 42.09 1xl1 n LEU 87 CO 0.20 0.17 -0.38 -1.61 -1.22 0.00 0.00 177.39 174.55 1xl1 s GLU 88 N -2.45 0.20 -0.29 3.23 2.02 -1.26 -4.63 118.70 115.52 1xl1 s GLU 88 Ca 0.27 -0.04 -0.03 0.00 0.02 0.00 0.00 54.97 55.19 1xl1 s GLU 88 Cb 0.20 -0.24 0.11 0.00 0.10 0.00 0.00 34.13 34.29 1xl1 s GLU 88 CO 0.49 0.00 0.17 -0.06 0.02 0.00 0.00 175.26 175.88 1xl1 s PHE 89 N 0.20 0.15 -1.12 1.61 0.40 -0.16 -4.55 117.98 114.51 1xl1 s PHE 89 Ca -0.02 -0.73 -0.15 0.00 -0.60 0.00 0.00 56.93 55.44 1xl1 s PHE 89 Cb -0.04 -0.80 0.16 0.00 0.51 0.00 0.00 43.02 42.85 1xl1 s PHE 89 CO -0.01 -0.85 1.34 -0.47 0.70 0.00 0.00 175.22 175.93 1xl1 s TYR 90 N 2.16 3.41 0.12 0.36 6.14 -0.19 -3.49 117.35 125.86 1xl1 s TYR 90 Ca 0.09 -1.93 -0.08 0.00 0.64 0.00 0.00 57.07 55.79 1xl1 s TYR 90 Cb -0.16 -4.29 -0.10 0.00 0.42 0.00 0.00 41.96 37.84 1xl1 s TYR 90 CO -0.36 -1.41 1.32 0.52 0.64 0.00 0.00 175.55 176.26 1xl1 h MET 91 N 7.63 0.57 0.00 4.97 2.86 -1.82 -3.40 114.93 125.74 1xl1 h MET 91 Ca 0.27 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1xl1 h MET 91 Cb 0.92 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1xl1 h MET 91 CO 1.20 1.15 0.00 0.41 1.06 0.00 0.00 176.91 180.73 1xl1 n GLY 92 N 0.80 -0.32 3.81 8.32 0.00 -0.25 -4.80 105.19 112.76 1xl1 n GLY 92 Ca -0.07 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1xl1 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl1 s ARG 93 N 0.00 3.91 -0.06 1.61 0.52 -1.26 -1.60 118.95 122.07 1xl1 s ARG 93 Ca 0.00 1.19 0.09 0.00 -0.52 0.00 0.00 55.73 56.49 1xl1 s ARG 93 Cb 0.00 -2.12 -0.13 0.00 0.52 0.00 0.00 34.95 33.22 1xl1 s ARG 93 CO 0.00 -0.31 0.10 2.41 0.02 0.00 0.00 175.30 177.52 1xl1 n THR 94 N -1.08 0.37 0.23 0.02 -1.04 -1.26 -4.65 114.28 106.87 1xl1 n THR 94 Ca 0.08 -0.32 -0.16 0.00 -2.04 0.00 0.00 64.05 61.61 1xl1 n THR 94 Cb 0.53 -0.35 -0.09 0.00 -1.82 0.00 0.00 70.33 68.61 1xl1 n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xl1 h LEU 95 N 0.00 -1.23 -0.62 -4.42 5.85 -1.97 -0.97 115.31 111.95 1xl1 h LEU 95 Ca -0.15 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1xl1 h LEU 95 Cb 1.12 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 1xl1 h LEU 95 CO 0.01 -0.56 0.29 -0.61 -0.34 0.00 0.00 178.44 177.22 1xl1 h GLN 96 N -0.84 0.90 -0.98 1.25 4.15 -1.96 -1.95 115.11 115.67 1xl1 h GLN 96 Ca -0.05 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.30 1xl1 h GLN 96 Cb 0.74 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.21 1xl1 h GLN 96 CO -0.09 0.73 0.64 -0.97 -1.93 0.00 0.00 178.83 177.21 1xl1 h ASN 97 N 0.85 1.01 -0.51 -0.69 -0.73 -1.80 0.06 115.58 113.77 1xl1 h ASN 97 Ca 0.21 0.01 -0.11 0.00 1.87 0.00 0.00 56.30 58.29 1xl1 h ASN 97 Cb 0.13 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 1xl1 h ASN 97 CO -0.03 0.64 -0.09 0.74 -0.37 0.00 0.00 177.43 178.32 1xl1 h THR 98 N 1.14 1.27 -0.47 -3.57 2.02 -0.71 -2.21 112.91 110.38 1xl1 h THR 98 Ca 0.43 -1.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 1xl1 h THR 98 Cb 0.19 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1xl1 h THR 98 CO -0.17 0.43 0.15 0.24 0.37 0.00 0.00 175.52 176.54 1xl1 h MET 99 N 0.82 0.74 -0.31 6.66 2.86 -0.56 -2.01 114.93 123.12 1xl1 h MET 99 Ca 0.13 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1xl1 h MET 99 Cb 0.65 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1xl1 h MET 99 CO 0.04 0.70 0.15 0.28 1.06 0.00 0.00 176.91 179.14 1xl1 h VAL 100 N 0.63 0.98 0.00 -2.22 2.07 -0.91 0.11 116.25 116.92 1xl1 h VAL 100 Ca 0.15 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1xl1 h VAL 100 Cb 0.26 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xl1 h VAL 100 CO -0.01 0.06 0.00 0.78 0.02 0.00 0.00 177.57 178.42 1xl1 h ASN 101 N 0.32 0.00 -0.18 0.57 4.21 -1.28 -2.83 115.58 116.38 1xl1 h ASN 101 Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1xl1 h ASN 101 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1xl1 h ASN 101 CO -0.10 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.22 1xl1 n LEU 102 N -2.71 2.67 -3.71 1.61 4.32 -0.77 -0.55 117.00 117.87 1xl1 n LEU 102 Ca 0.02 -1.34 -0.25 0.00 -0.02 0.00 0.00 56.01 54.42 1xl1 n LEU 102 Cb 0.33 -0.11 0.06 0.00 -1.62 0.00 0.00 43.42 42.07 1xl1 n LEU 102 CO 0.26 0.56 0.15 0.00 -1.22 0.00 0.00 177.39 177.13 1xl1 n ALA 103 N 0.92 -1.46 0.38 -1.18 0.00 0.18 -4.90 120.51 114.44 1xl1 n ALA 103 Ca 0.12 0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.81 1xl1 n ALA 103 Cb 0.43 -4.40 0.03 0.00 0.00 0.00 0.00 19.45 15.52 1xl1 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xl1 n LEU 104 N -4.71 1.66 -0.01 0.00 4.32 0.04 -4.53 117.00 113.76 1xl1 n LEU 104 Ca -0.05 -0.97 -0.09 0.00 -0.02 0.00 0.00 56.01 54.88 1xl1 n LEU 104 Cb 0.57 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.34 1xl1 n LEU 104 CO 0.69 0.33 0.81 -0.08 -1.22 0.00 0.00 177.39 177.92 1xl1 h GLU 105 N 1.65 -0.07 -0.49 3.23 4.81 -1.64 -0.52 114.58 121.54 1xl1 h GLU 105 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1xl1 h GLU 105 Cb 0.36 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1xl1 h GLU 105 CO 0.00 -0.05 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.14 1xl1 h ASN 106 N -0.07 1.00 -0.16 1.04 2.35 -1.31 -0.27 115.58 118.16 1xl1 h ASN 106 Ca 0.08 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1xl1 h ASN 106 Cb 0.19 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1xl1 h ASN 106 CO -0.17 1.16 0.10 0.00 -1.65 0.00 0.00 177.43 176.87 1xl1 h ALA 107 N 0.88 0.20 -0.23 -0.83 0.00 -1.61 0.23 119.26 117.90 1xl1 h ALA 107 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1xl1 h ALA 107 Cb 0.75 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xl1 h ALA 107 CO 0.06 -0.31 -0.24 0.00 0.00 0.00 0.00 179.25 178.76 1xl1 h ASP 109 N 0.38 0.58 0.12 0.00 3.58 -0.45 -1.04 116.42 119.60 1xl1 h ASP 109 Ca 0.06 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1xl1 h ASP 109 Cb 0.63 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1xl1 h ASP 109 CO 0.05 0.62 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.89 1xl1 h GLU 110 N 0.51 -0.15 -0.60 0.28 4.57 -0.17 -1.59 114.58 117.42 1xl1 h GLU 110 Ca 0.13 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.42 1xl1 h GLU 110 Cb 0.24 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.79 1xl1 h GLU 110 CO -0.01 0.18 0.20 0.00 -1.18 0.00 0.00 179.01 178.20 1xl1 h ALA 111 N 0.33 0.77 -0.08 2.92 0.00 -0.45 0.50 119.26 123.25 1xl1 h ALA 111 Ca -0.02 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xl1 h ALA 111 Cb 0.40 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xl1 h ALA 111 CO 0.03 -0.22 -0.51 1.79 0.00 0.00 0.00 179.25 180.34 1xl1 h THR 112 N 0.37 1.35 -0.06 0.00 1.35 -1.21 -2.37 112.91 112.34 1xl1 h THR 112 Ca 0.31 -1.76 -0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1xl1 h THR 112 Cb 0.40 1.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1xl1 h THR 112 CO -0.33 0.52 0.04 0.22 -0.25 0.00 0.00 175.52 175.72 1xl1 h TYR 113 N 0.17 0.08 0.00 4.73 3.20 -0.06 0.39 116.97 125.48 1xl1 h TYR 113 Ca 0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1xl1 h TYR 113 Cb 0.96 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 1xl1 h TYR 113 CO 0.02 0.08 -0.10 1.96 -1.64 0.00 0.00 178.16 178.48 1xl1 h GLN 114 N 0.06 0.00 -0.06 1.82 4.20 -0.83 0.17 115.11 120.48 1xl1 h GLN 114 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1xl1 h GLN 114 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1xl1 h GLN 114 CO -0.00 0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.53 1xl1 n LEU 115 N -4.04 0.69 -0.65 1.46 4.32 -0.81 -4.89 117.00 113.07 1xl1 n LEU 115 Ca -0.02 -0.28 -0.05 0.00 -0.02 0.00 0.00 56.01 55.64 1xl1 n LEU 115 Cb 0.18 -0.03 -0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1xl1 n LEU 115 CO 0.32 0.14 -0.06 0.61 -1.22 0.00 0.00 177.39 177.18 1xl1 n GLY 116 N 0.96 0.19 3.27 -0.72 0.00 0.61 -5.05 105.19 104.45 1xl1 n GLY 116 Ca 0.16 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 1xl1 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl1 s LEU 117 N -1.57 2.23 -0.49 0.99 1.43 0.13 -5.00 118.68 116.40 1xl1 s LEU 117 Ca 0.01 -0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 1xl1 s LEU 117 Cb -0.01 -0.93 0.06 0.00 0.03 0.00 0.00 46.19 45.34 1xl1 s LEU 117 CO 0.02 0.11 0.51 -0.62 0.23 0.00 0.00 176.35 176.60 1xl1 s ASP 118 N -1.54 6.19 0.38 2.29 3.68 -1.26 -3.27 116.67 123.13 1xl1 s ASP 118 Ca 0.07 -1.12 0.11 0.00 2.13 0.00 0.00 52.55 53.75 1xl1 s ASP 118 Cb -0.09 -2.24 0.90 0.00 -1.45 0.00 0.00 42.92 40.04 1xl1 s ASP 118 CO 0.03 -0.77 1.89 -0.03 0.13 0.00 0.00 175.17 176.42 1xl1 h MET 119 N 8.87 0.58 -0.55 4.34 1.85 -1.90 -0.89 114.93 127.24 1xl1 h MET 119 Ca -0.28 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 58.74 1xl1 h MET 119 Cb 1.10 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.98 1xl1 h MET 119 CO 0.92 0.38 0.18 0.93 -0.40 0.00 0.00 176.91 178.92 1xl1 h GLU 120 N 0.60 0.81 -0.56 0.39 5.08 -1.99 -0.29 114.58 118.62 1xl1 h GLU 120 Ca 0.42 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1xl1 h GLU 120 Cb 0.76 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1xl1 h GLU 120 CO -0.17 0.70 0.04 1.49 -1.00 0.00 0.00 179.01 180.07 1xl1 h GLU 121 N 0.80 0.93 -0.17 2.33 4.81 -1.59 -2.78 114.58 118.91 1xl1 h GLU 121 Ca 0.18 -0.25 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1xl1 h GLU 121 Cb 0.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1xl1 h GLU 121 CO -0.01 0.90 -0.53 -0.07 -0.73 0.00 0.00 179.01 178.57 1xl1 h LEU 122 N 0.87 0.53 -1.41 1.64 4.07 -1.02 -3.06 115.31 116.93 1xl1 h LEU 122 Ca 0.17 -0.28 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 1xl1 h LEU 122 Cb 0.46 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1xl1 h LEU 122 CO 0.02 0.96 -0.30 -0.33 -1.08 0.00 0.00 178.44 177.71 1xl1 h GLU 123 N 0.38 0.00 0.00 1.13 5.08 -0.81 -2.13 114.58 118.22 1xl1 h GLU 123 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xl1 h GLU 123 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1xl1 h GLU 123 CO 0.10 0.30 0.00 0.39 -1.00 0.00 0.00 179.01 178.79 1xl1 n GLU 124 N -4.17 0.06 0.07 2.33 -0.58 -1.08 -2.77 120.64 114.50 1xl1 n GLU 124 Ca -0.02 0.28 -0.04 0.00 -0.42 0.00 0.00 57.16 56.95 1xl1 n GLU 124 Cb 0.34 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.52 1xl1 n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xl1 h ILE 125 N 0.00 1.31 -3.24 -3.67 2.04 -1.47 -3.46 117.51 109.02 1xl1 h ILE 125 Ca 0.00 -2.93 -0.53 0.00 1.00 0.00 0.00 64.86 62.40 1xl1 h ILE 125 Cb 0.31 2.63 0.07 0.00 -0.74 0.00 0.00 36.82 39.09 1xl1 h ILE 125 CO 0.00 0.75 0.85 -0.70 0.00 0.00 0.00 178.15 179.04 1xl1 s GLU 126 N -2.77 4.19 0.36 2.37 2.12 -1.11 -4.98 118.70 118.87 1xl1 s GLU 126 Ca 0.01 2.45 -0.25 0.00 0.36 0.00 0.00 54.97 57.54 1xl1 s GLU 126 Cb 0.09 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.31 1xl1 s GLU 126 CO 0.80 -0.56 1.01 -1.21 -0.54 0.00 0.00 175.26 174.76 1xl1 s GLU 127 N -0.15 4.38 0.17 4.30 0.41 -1.26 -4.95 118.70 121.61 1xl1 s GLU 127 Ca 0.63 1.46 -0.30 0.00 -0.41 0.00 0.00 54.97 56.35 1xl1 s GLU 127 Cb -0.45 -2.69 -0.08 0.00 -1.78 0.00 0.00 34.13 29.13 1xl1 s GLU 127 CO 0.43 0.06 1.20 -0.51 -0.49 0.00 0.00 175.26 175.95 1xl1 s ASP 128 N -1.54 7.09 -0.65 -0.19 1.11 -1.26 -4.51 116.67 116.72 1xl1 s ASP 128 Ca 0.54 2.21 -0.25 0.00 0.18 0.00 0.00 52.55 55.22 1xl1 s ASP 128 Cb -0.21 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.22 1xl1 s ASP 128 CO 0.27 -0.38 1.08 0.00 1.18 0.00 0.00 175.17 177.32 1xl1 s ALA 129 N 0.07 3.00 -0.86 5.23 0.00 -0.63 -4.86 121.76 123.71 1xl1 s ALA 129 Ca 0.53 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1xl1 s ALA 129 Cb -0.32 -3.97 0.34 0.00 0.00 0.00 0.00 23.12 19.17 1xl1 s ALA 129 CO 0.36 -2.81 1.63 0.41 0.00 0.00 0.00 175.76 175.34 1xl1 n GLY 130 N 5.26 5.91 1.74 0.00 0.00 -1.26 -1.09 105.19 115.76 1xl1 n GLY 130 Ca 0.01 -2.62 -0.12 0.00 0.00 0.00 0.00 46.02 43.29 1xl1 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xl1 n LEU 131 N -0.22 5.93 -3.66 0.99 4.77 -1.23 -0.40 117.00 123.17 1xl1 n LEU 131 Ca 0.44 -2.96 -0.10 0.00 -0.03 0.00 0.00 56.01 53.36 1xl1 n LEU 131 Cb 0.31 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 1xl1 n LEU 131 CO 0.47 1.11 0.25 -0.83 -1.33 0.00 0.00 177.39 177.05 1xl1 s GLY 132 N 0.58 -0.21 -0.07 -0.72 0.00 -1.26 -0.99 107.32 104.64 1xl1 s GLY 132 Ca 0.23 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.92 1xl1 s GLY 132 CO 0.00 -0.23 0.55 0.70 0.00 0.00 0.00 173.10 174.12 1xl1 n ASN 133 N -0.31 1.36 0.00 1.64 3.02 -1.26 -4.41 115.26 115.31 1xl1 n ASN 133 Ca -0.13 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1xl1 n ASN 133 Cb 0.63 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1xl1 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xl1 n GLY 134 N 1.73 -0.18 0.35 7.41 0.00 -1.26 -4.91 105.19 108.33 1xl1 n GLY 134 Ca -0.23 0.50 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1xl1 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xl1 h GLY 135 N 0.00 1.52 0.90 -0.02 0.00 -1.98 -0.16 103.07 103.33 1xl1 h GLY 135 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1xl1 h GLY 135 CO 0.00 0.23 0.05 -2.00 0.00 0.00 0.00 176.54 174.82 1xl1 h LEU 136 N 1.03 0.51 -0.53 3.11 5.85 -1.98 0.26 115.31 123.56 1xl1 h LEU 136 Ca 0.45 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 1xl1 h LEU 136 Cb 0.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1xl1 h LEU 136 CO -0.22 0.64 -0.59 1.23 -0.34 0.00 0.00 178.44 179.16 1xl1 h GLY 137 N 0.36 0.51 1.39 3.75 0.00 -1.74 -2.91 103.07 104.43 1xl1 h GLY 137 Ca 0.10 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1xl1 h GLY 137 CO 0.01 0.55 -0.27 -0.09 0.00 0.00 0.00 176.54 176.74 1xl1 h ARG 138 N 0.35 0.70 -0.71 4.80 1.12 -0.90 -0.36 114.38 119.38 1xl1 h ARG 138 Ca -0.00 -0.30 0.01 0.00 -1.11 0.00 0.00 59.98 58.58 1xl1 h ARG 138 Cb 1.13 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.03 1xl1 h ARG 138 CO 0.10 0.89 0.47 1.25 -3.11 0.00 0.00 179.97 179.58 1xl1 h LEU 139 N 0.60 0.81 -0.94 3.80 5.85 -0.87 0.03 115.31 124.60 1xl1 h LEU 139 Ca 0.08 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1xl1 h LEU 139 Cb 0.77 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1xl1 h LEU 139 CO 0.06 0.59 0.45 0.00 -0.34 0.00 0.00 178.44 179.20 1xl1 h ALA 140 N 1.26 1.18 -0.37 1.25 0.00 -1.30 0.94 119.26 122.23 1xl1 h ALA 140 Ca 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1xl1 h ALA 140 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 1xl1 h ALA 140 CO -0.06 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.78 1xl1 h ALA 141 N 1.29 0.51 -0.60 0.00 0.00 -0.88 -1.47 119.26 118.10 1xl1 h ALA 141 Ca 0.30 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xl1 h ALA 141 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xl1 h ALA 141 CO -0.05 0.34 0.08 0.00 0.00 0.00 0.00 179.25 179.62 1xl1 h PHE 143 N 0.93 0.85 -0.58 0.00 -1.00 -0.61 -1.16 116.94 115.38 1xl1 h PHE 143 Ca 0.18 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1xl1 h PHE 143 Cb 0.43 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 1xl1 h PHE 143 CO 0.03 0.61 0.36 -0.07 -1.61 0.00 0.00 178.31 177.64 1xl1 h LEU 144 N 0.85 0.68 -0.33 1.54 4.07 -1.01 0.17 115.31 121.27 1xl1 h LEU 144 Ca 0.22 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.16 1xl1 h LEU 144 Cb 0.04 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1xl1 h LEU 144 CO -0.04 0.52 0.18 -0.78 -1.08 0.00 0.00 178.44 177.24 1xl1 h ASP 145 N 0.78 0.27 -0.43 -0.43 3.58 -1.06 -2.03 116.42 117.11 1xl1 h ASP 145 Ca 0.21 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 1xl1 h ASP 145 Cb -0.05 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1xl1 h ASP 145 CO -0.04 0.20 -0.05 0.28 -2.88 0.00 0.00 179.24 176.75 1xl1 h SER 146 N 0.36 0.84 -0.17 2.28 0.02 -0.82 -1.33 113.55 114.72 1xl1 h SER 146 Ca 0.13 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1xl1 h SER 146 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1xl1 h SER 146 CO -0.08 0.93 -0.14 0.24 -1.14 0.00 0.00 176.83 176.64 1xl1 h MET 147 N 0.79 0.55 -0.18 3.45 2.86 -0.72 0.12 114.93 121.79 1xl1 h MET 147 Ca 0.14 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1xl1 h MET 147 Cb 0.54 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1xl1 h MET 147 CO 0.03 0.68 -0.39 0.00 1.06 0.00 0.00 176.91 178.29 1xl1 h ALA 148 N 1.35 0.29 0.00 6.32 0.00 -1.16 -0.52 119.26 125.54 1xl1 h ALA 148 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1xl1 h ALA 148 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xl1 h ALA 148 CO 0.03 0.38 -0.19 1.15 0.00 0.00 0.00 179.25 180.63 1xl1 h THR 149 N 0.25 0.85 -0.57 0.00 2.02 -0.92 -2.16 112.91 112.39 1xl1 h THR 149 Ca 0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1xl1 h THR 149 Cb 0.99 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1xl1 h THR 149 CO 0.09 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.34 1xl1 n LEU 150 N -3.91 4.68 -2.92 2.58 4.77 0.39 -4.74 117.00 117.86 1xl1 n LEU 150 Ca -0.02 -2.37 -0.22 0.00 -0.03 0.00 0.00 56.01 53.38 1xl1 n LEU 150 Cb 0.28 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1xl1 n LEU 150 CO 0.33 0.69 -0.07 0.61 -1.33 0.00 0.00 177.39 177.63 1xl1 n GLY 151 N 0.89 -0.51 3.84 -0.72 0.00 -0.81 -0.29 105.19 107.59 1xl1 n GLY 151 Ca 0.24 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1xl1 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl1 s LEU 152 N -6.47 4.43 -1.38 0.99 1.43 -0.22 -4.66 118.68 112.80 1xl1 s LEU 152 Ca 0.24 0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 54.16 1xl1 s LEU 152 Cb -0.11 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.34 1xl1 s LEU 152 CO 0.30 0.25 1.98 0.00 0.23 0.00 0.00 176.35 179.11 1xl1 n ALA 153 N 1.42 4.62 -2.63 4.21 0.00 -1.26 -4.66 120.51 122.22 1xl1 n ALA 153 Ca -0.11 -3.89 -0.30 0.00 0.00 0.00 0.00 53.44 49.14 1xl1 n ALA 153 Cb 0.52 -3.54 -0.09 0.00 0.00 0.00 0.00 19.45 16.34 1xl1 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xl1 s ALA 154 N 3.50 3.11 -0.05 0.00 0.00 -1.26 -1.28 121.76 125.78 1xl1 s ALA 154 Ca 0.50 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1xl1 s ALA 154 Cb 0.09 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1xl1 s ALA 154 CO -0.01 0.67 -0.07 0.71 0.00 0.00 0.00 175.76 177.05 1xl1 s TYR 155 N -1.25 1.02 -0.10 0.00 2.02 0.27 -3.96 117.35 115.34 1xl1 s TYR 155 Ca 0.23 -0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.42 1xl1 s TYR 155 Cb -0.11 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 1xl1 s TYR 155 CO 0.15 -0.23 0.45 0.20 -1.57 0.00 0.00 175.55 174.56 1xl1 s GLY 156 N 0.85 2.39 -0.11 0.71 0.00 -0.73 -1.27 107.32 109.16 1xl1 s GLY 156 Ca -0.12 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.41 1xl1 s GLY 156 CO 0.01 0.65 -0.19 -0.19 0.00 0.00 0.00 173.10 173.39 1xl1 s TYR 157 N 0.36 2.23 0.00 1.90 2.02 -0.53 0.46 117.35 123.78 1xl1 s TYR 157 Ca 0.25 -1.02 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 1xl1 s TYR 157 Cb -0.15 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1xl1 s TYR 157 CO 0.10 -0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.02 1xl1 n GLY 158 N 3.96 3.44 3.46 0.71 0.00 -0.83 -1.73 105.19 114.20 1xl1 n GLY 158 Ca -0.20 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1xl1 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xl1 s ILE 159 N -2.25 3.11 -0.92 -0.61 1.01 -1.26 -1.09 121.20 119.19 1xl1 s ILE 159 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1xl1 s ILE 159 Cb 0.00 -2.24 0.13 0.00 0.01 0.00 0.00 42.46 40.36 1xl1 s ILE 159 CO 0.00 0.58 1.12 -0.60 0.00 0.00 0.00 174.94 176.04 1xl1 s ARG 160 N -0.48 3.58 0.27 2.79 3.52 0.47 -4.75 118.95 124.36 1xl1 s ARG 160 Ca 0.06 -1.72 -0.29 0.00 -0.13 0.00 0.00 55.73 53.65 1xl1 s ARG 160 Cb -0.12 -4.89 -0.09 0.00 -1.56 0.00 0.00 34.95 28.28 1xl1 s ARG 160 CO 0.02 -1.78 1.17 0.71 -0.81 0.00 0.00 175.30 174.61 1xl1 s TYR 161 N 2.76 3.41 0.23 5.12 2.02 -1.26 -4.70 117.35 124.93 1xl1 s TYR 161 Ca 0.32 1.57 0.05 0.00 -0.37 0.00 0.00 57.07 58.64 1xl1 s TYR 161 Cb -0.05 -3.42 0.22 0.00 -0.40 0.00 0.00 41.96 38.31 1xl1 s TYR 161 CO -0.09 -1.03 1.53 1.49 -1.57 0.00 0.00 175.55 175.89 1xl1 h GLU 162 N 4.00 0.21 -4.38 -0.62 4.81 -0.67 -3.41 114.58 114.52 1xl1 h GLU 162 Ca -0.47 -0.16 -0.55 0.00 -0.13 0.00 0.00 59.36 58.06 1xl1 h GLU 162 Cb 1.22 0.03 -0.36 0.00 0.63 0.00 0.00 28.75 30.26 1xl1 h GLU 162 CO 0.68 0.79 -0.81 -0.06 -0.73 0.00 0.00 179.01 178.87 1xl1 s PHE 163 N -3.65 1.67 0.00 0.92 0.40 0.15 -4.37 117.98 113.10 1xl1 s PHE 163 Ca -0.04 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1xl1 s PHE 163 Cb 0.12 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.33 1xl1 s PHE 163 CO 0.80 -0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.60 1xl1 n GLY 164 N 4.78 0.87 3.72 4.36 0.00 -1.23 -1.87 105.19 115.83 1xl1 n GLY 164 Ca -0.15 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1xl1 n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xl1 n ILE 165 N 0.00 0.77 -1.74 -0.61 0.13 0.46 -4.57 119.36 113.80 1xl1 n ILE 165 Ca 0.00 -0.19 -0.38 0.00 -1.10 0.00 0.00 62.75 61.08 1xl1 n ILE 165 Cb 0.00 -1.86 0.05 0.00 -0.84 0.00 0.00 39.64 37.00 1xl1 n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 1xl1 n PHE 166 N 2.50 2.16 -2.70 9.51 1.16 -1.26 -4.56 117.46 124.27 1xl1 n PHE 166 Ca 0.11 0.43 -0.42 0.00 -1.87 0.00 0.00 57.45 55.70 1xl1 n PHE 166 Cb 0.35 -2.33 -0.03 0.00 -1.61 0.00 0.00 39.48 35.86 1xl1 n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1xl1 s ASN 167 N -1.10 7.39 -0.16 5.98 0.01 -0.52 -4.88 114.94 121.66 1xl1 s ASN 167 Ca 0.76 1.72 -0.15 0.00 -0.71 0.00 0.00 52.86 54.48 1xl1 s ASN 167 Cb -0.40 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.64 1xl1 s ASN 167 CO 0.45 -0.21 0.36 -1.58 -1.51 0.00 0.00 177.10 174.61 1xl1 s GLN 168 N 0.69 4.26 -0.00 -0.60 0.74 -1.26 -2.06 119.66 121.43 1xl1 s GLN 168 Ca 0.51 0.20 0.07 0.00 0.05 0.00 0.00 55.36 56.18 1xl1 s GLN 168 Cb -0.22 -3.45 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 1xl1 s GLN 168 CO 0.29 0.16 -0.21 0.15 -0.55 0.00 0.00 175.29 175.13 1xl1 s LYS 169 N 0.68 2.17 -0.33 1.67 -0.14 -0.15 -3.75 119.74 119.89 1xl1 s LYS 169 Ca 0.19 -0.90 -0.08 0.00 -1.36 0.00 0.00 55.97 53.82 1xl1 s LYS 169 Cb -0.14 -2.17 0.02 0.00 -1.68 0.00 0.00 37.83 33.87 1xl1 s LYS 169 CO 0.06 0.57 0.12 0.42 -0.76 0.00 0.00 175.35 175.76 1xl1 s ILE 170 N -0.75 4.06 -0.18 2.17 -1.09 -1.26 0.18 121.20 124.33 1xl1 s ILE 170 Ca 0.12 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 1xl1 s ILE 170 Cb -0.10 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1xl1 s ILE 170 CO 0.01 -0.08 -0.20 0.00 -1.23 0.00 0.00 174.94 173.45 1xl1 n GLY 172 N 4.57 0.21 2.50 0.00 0.00 -1.26 -0.48 105.19 110.72 1xl1 n GLY 172 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xl1 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xl1 n GLY 173 N -0.87 1.23 3.80 -0.02 0.00 -1.26 -5.03 105.19 103.05 1xl1 n GLY 173 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1xl1 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xl1 s TRP 174 N -3.50 3.31 0.13 1.61 0.52 0.36 -3.86 118.94 117.52 1xl1 s TRP 174 Ca 0.00 0.20 -0.30 0.00 0.02 0.00 0.00 56.10 56.02 1xl1 s TRP 174 Cb 0.00 -1.72 -0.07 0.00 -1.15 0.00 0.00 33.47 30.53 1xl1 s TRP 174 CO 0.00 0.56 1.11 -1.14 0.02 0.00 0.00 176.95 177.50 1xl1 s GLN 175 N -1.97 4.55 -0.04 4.98 0.74 -1.26 -0.07 119.66 126.59 1xl1 s GLN 175 Ca 0.26 1.70 0.05 0.00 0.05 0.00 0.00 55.36 57.42 1xl1 s GLN 175 Cb -0.12 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 1xl1 s GLN 175 CO 0.17 -0.01 -0.20 -1.64 -0.55 0.00 0.00 175.29 173.06 1xl1 s MET 176 N 0.09 1.98 -0.05 1.67 -1.94 0.13 -4.90 119.30 116.28 1xl1 s MET 176 Ca 0.52 -0.72 -0.02 0.00 -1.71 0.00 0.00 55.69 53.75 1xl1 s MET 176 Cb -0.29 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.78 1xl1 s MET 176 CO 0.33 0.32 0.09 -1.21 -0.01 0.00 0.00 175.02 174.53 1xl1 s GLU 177 N -0.11 3.17 -0.00 2.03 8.01 -1.26 -0.98 118.70 129.55 1xl1 s GLU 177 Ca -0.02 -0.37 -0.01 0.00 0.01 0.00 0.00 54.97 54.59 1xl1 s GLU 177 Cb -0.12 -2.94 -0.00 0.00 -4.31 0.00 0.00 34.13 26.76 1xl1 s GLU 177 CO 0.02 0.69 0.02 -1.83 0.01 0.00 0.00 175.26 174.17 1xl1 s GLU 178 N -1.40 0.07 0.17 1.61 -1.05 -0.87 -4.99 118.70 112.23 1xl1 s GLU 178 Ca 0.19 -0.05 -0.33 0.00 -0.15 0.00 0.00 54.97 54.63 1xl1 s GLU 178 Cb -0.12 0.03 -0.15 0.00 -0.44 0.00 0.00 34.13 33.45 1xl1 s GLU 178 CO 0.09 -0.01 1.31 0.00 0.95 0.00 0.00 175.26 177.61 1xl1 n ALA 179 N 2.87 -0.07 -2.97 -0.84 0.00 -1.26 -1.44 120.51 116.81 1xl1 n ALA 179 Ca -0.14 0.46 -0.44 0.00 0.00 0.00 0.00 53.44 53.32 1xl1 n ALA 179 Cb 0.59 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 1xl1 n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xl1 s ASP 180 N 0.28 6.94 -1.52 0.00 3.68 -1.26 -4.69 116.67 120.10 1xl1 s ASP 180 Ca 0.75 -2.72 -0.10 0.00 2.13 0.00 0.00 52.55 52.60 1xl1 s ASP 180 Cb -0.80 -2.39 -0.01 0.00 -1.45 0.00 0.00 42.92 38.27 1xl1 s ASP 180 CO 0.49 -0.82 2.63 -0.67 0.13 0.00 0.00 175.17 176.93 1xl1 n ASP 181 N 5.74 7.13 0.18 -0.34 2.03 -1.26 -3.54 116.55 126.48 1xl1 n ASP 181 Ca 0.32 -2.75 0.13 0.00 0.52 0.00 0.00 54.79 53.01 1xl1 n ASP 181 Cb 0.45 -1.56 0.62 0.00 -0.72 0.00 0.00 41.12 39.91 1xl1 n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1xl1 h TRP 182 N 5.27 0.00 -0.12 -0.67 5.08 -1.91 -2.37 115.95 121.23 1xl1 h TRP 182 Ca 0.74 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.71 1xl1 h TRP 182 Cb 0.40 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 1xl1 h TRP 182 CO 1.70 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.14 1xl1 n LEU 183 N -2.42 2.76 -0.33 0.11 4.77 -1.26 -4.62 117.00 116.01 1xl1 n LEU 183 Ca 0.00 -1.00 -0.07 0.00 -0.03 0.00 0.00 56.01 54.91 1xl1 n LEU 183 Cb 0.15 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1xl1 n LEU 183 CO 0.17 0.50 0.55 -0.09 -1.33 0.00 0.00 177.39 177.19 1xl1 h ARG 184 N 4.09 -0.09 -0.30 3.23 2.43 -1.81 0.61 114.38 122.55 1xl1 h ARG 184 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xl1 h ARG 184 Cb 0.88 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1xl1 h ARG 184 CO 0.00 -0.06 0.00 0.66 -1.51 0.00 0.00 179.97 179.06 1xl1 n TYR 185 N -5.38 0.39 0.00 2.20 4.01 -1.26 -5.04 117.16 112.08 1xl1 n TYR 185 Ca 0.05 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1xl1 n TYR 185 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1xl1 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xl1 n GLY 186 N 1.14 0.32 2.98 2.72 0.00 0.20 -4.95 105.19 107.60 1xl1 n GLY 186 Ca 0.15 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1xl1 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xl1 s ASN 187 N -1.54 4.46 0.45 1.61 2.47 -1.26 -4.87 114.94 116.25 1xl1 s ASN 187 Ca 0.00 -1.77 0.31 0.00 0.42 0.00 0.00 52.86 51.82 1xl1 s ASN 187 Cb 0.00 -1.44 1.36 0.00 -1.45 0.00 0.00 41.25 39.72 1xl1 s ASN 187 CO 0.00 -0.32 1.92 1.55 -3.72 0.00 0.00 177.10 176.53 1xl1 h PRO 188 N 7.76 0.00 0.00 0.43 0.13 -1.99 -3.17 132.00 135.16 1xl1 h PRO 188 Ca -0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 1xl1 h PRO 188 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1xl1 h PRO 188 CO 0.48 0.00 -0.65 -1.49 -0.23 0.00 0.00 178.00 176.11 1xl1 h TRP 189 N 0.00 0.00 -3.29 1.56 4.06 -1.96 -3.47 115.95 112.86 1xl1 h TRP 189 Ca 0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 1xl1 h TRP 189 Cb 0.35 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.52 1xl1 h TRP 189 CO 0.00 0.41 -0.04 -1.83 -3.56 0.00 0.00 178.44 173.41 1xl1 s GLU 190 N -3.02 3.60 -0.19 0.49 -1.05 -1.20 -4.23 118.70 113.10 1xl1 s GLU 190 Ca 0.03 0.05 -0.02 0.00 -0.15 0.00 0.00 54.97 54.88 1xl1 s GLU 190 Cb 0.08 -2.54 0.06 0.00 -0.44 0.00 0.00 34.13 31.28 1xl1 s GLU 190 CO 0.75 0.05 0.01 0.21 0.95 0.00 0.00 175.26 177.23 1xl1 s LYS 191 N -4.09 0.89 0.35 -4.83 2.47 0.61 -4.94 119.74 110.19 1xl1 s LYS 191 Ca 0.45 -0.51 -0.28 0.00 -1.56 0.00 0.00 55.97 54.07 1xl1 s LYS 191 Cb -0.10 -2.14 -0.10 0.00 -1.46 0.00 0.00 37.83 34.03 1xl1 s LYS 191 CO 0.36 -0.60 1.36 0.00 0.16 0.00 0.00 175.35 176.63 1xl1 s ALA 192 N 1.76 3.52 -0.49 3.13 0.00 -1.26 -1.20 121.76 127.22 1xl1 s ALA 192 Ca -0.01 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.38 1xl1 s ALA 192 Cb -0.17 -3.52 0.36 0.00 0.00 0.00 0.00 23.12 19.79 1xl1 s ALA 192 CO -0.07 -0.77 0.90 0.54 0.00 0.00 0.00 175.76 176.35 1xl1 n ARG 193 N 0.69 2.47 -0.10 0.00 5.12 -0.04 -4.91 116.66 119.90 1xl1 n ARG 193 Ca 0.00 -4.31 0.26 0.00 -1.93 0.00 0.00 57.85 51.88 1xl1 n ARG 193 Cb 0.41 -2.03 0.70 0.00 -1.16 0.00 0.00 32.46 30.38 1xl1 n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1xl1 h PRO 194 N 2.95 0.00 0.00 5.56 0.13 -1.93 0.19 132.00 138.90 1xl1 h PRO 194 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xl1 h PRO 194 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1xl1 h PRO 194 CO 0.71 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.53 1xl1 h GLU 195 N 0.00 0.00 -0.47 0.86 9.09 -1.95 -2.42 114.58 119.69 1xl1 h GLU 195 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 1xl1 h GLU 195 Cb 1.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.81 1xl1 h GLU 195 CO -0.00 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.25 1xl1 n PHE 196 N -2.69 1.47 -1.85 2.06 3.72 0.67 -5.00 117.46 115.83 1xl1 n PHE 196 Ca -0.00 -0.74 -0.41 0.00 -0.05 0.00 0.00 57.45 56.25 1xl1 n PHE 196 Cb 0.17 -0.35 -0.01 0.00 -0.94 0.00 0.00 39.48 38.35 1xl1 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xl1 s THR 197 N -2.46 2.16 0.08 4.37 2.01 -0.91 -4.70 115.64 116.19 1xl1 s THR 197 Ca 0.48 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.69 1xl1 s THR 197 Cb 0.35 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1xl1 s THR 197 CO 0.16 0.04 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.20 1xl1 s LEU 198 N -1.83 2.27 0.12 4.42 1.02 -0.54 -4.94 118.68 119.20 1xl1 s LEU 198 Ca 0.54 -0.62 -0.19 0.00 0.02 0.00 0.00 54.13 53.88 1xl1 s LEU 198 Cb -0.46 -0.64 -0.07 0.00 0.02 0.00 0.00 46.19 45.05 1xl1 s LEU 198 CO 0.60 -0.02 0.61 -2.16 0.02 0.00 0.00 176.35 175.40 1xl1 s PRO 199 N -1.71 4.21 -0.04 1.29 0.04 -1.26 0.58 135.00 138.11 1xl1 s PRO 199 Ca 0.01 0.76 0.06 0.00 0.04 0.00 0.00 61.00 61.87 1xl1 s PRO 199 Cb -0.10 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1xl1 s PRO 199 CO 0.03 0.56 -0.22 0.08 0.04 0.00 0.00 177.00 177.49 1xl1 s VAL 200 N -1.24 1.77 0.00 -0.36 1.01 0.68 -4.85 120.40 117.40 1xl1 s VAL 200 Ca 0.34 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1xl1 s VAL 200 Cb -0.19 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1xl1 s VAL 200 CO 0.20 0.50 0.03 -1.00 0.00 0.00 0.00 175.10 174.83 1xl1 s HIS 201 N -0.21 3.14 0.06 5.22 3.76 -1.26 -0.98 115.29 125.01 1xl1 s HIS 201 Ca 0.00 0.11 0.01 0.00 -0.15 0.00 0.00 55.06 55.03 1xl1 s HIS 201 Cb -0.11 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1xl1 s HIS 201 CO 0.02 0.49 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.29 1xl1 s PHE 202 N -1.13 0.63 0.00 1.40 0.40 -0.15 -4.96 117.98 114.18 1xl1 s PHE 202 Ca 0.21 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.73 1xl1 s PHE 202 Cb -0.12 -0.40 0.00 0.00 0.51 0.00 0.00 43.02 43.01 1xl1 s PHE 202 CO 0.12 -0.21 0.00 0.66 0.70 0.00 0.00 175.22 176.49 1xl1 n TYR 203 N 0.59 0.00 -4.25 0.36 4.01 0.41 -0.48 117.16 117.79 1xl1 n TYR 203 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1xl1 n TYR 203 Cb 0.59 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1xl1 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xl1 n GLY 204 N 0.00 -0.78 3.53 2.72 0.00 -1.21 -4.56 105.19 104.89 1xl1 n GLY 204 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1xl1 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xl1 s ARG 205 N 0.00 1.41 -0.19 1.61 1.70 0.01 -4.87 118.95 118.61 1xl1 s ARG 205 Ca 0.00 -0.95 -0.08 0.00 -0.47 0.00 0.00 55.73 54.23 1xl1 s ARG 205 Cb 0.00 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1xl1 s ARG 205 CO 0.00 -0.59 0.09 0.08 -1.08 0.00 0.00 175.30 173.80 1xl1 s VAL 206 N -3.90 5.00 -0.15 4.99 1.01 -1.26 -1.07 120.40 125.02 1xl1 s VAL 206 Ca 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1xl1 s VAL 206 Cb -0.01 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1xl1 s VAL 206 CO -0.00 0.44 -0.10 -0.70 0.00 0.00 0.00 175.10 174.74 1xl1 s GLU 207 N 0.46 3.46 -0.43 2.72 2.12 0.16 -4.93 118.70 122.26 1xl1 s GLU 207 Ca 0.05 -0.63 -0.13 0.00 0.36 0.00 0.00 54.97 54.62 1xl1 s GLU 207 Cb -0.12 -2.75 0.06 0.00 0.26 0.00 0.00 34.13 31.57 1xl1 s GLU 207 CO -0.00 0.18 0.31 -1.01 -0.54 0.00 0.00 175.26 174.20 1xl1 s HIS 208 N 0.47 3.27 0.26 5.30 3.76 -1.26 0.59 115.29 127.68 1xl1 s HIS 208 Ca -0.07 -1.02 0.04 0.00 -0.15 0.00 0.00 55.06 53.86 1xl1 s HIS 208 Cb -0.15 -2.87 0.04 0.00 1.11 0.00 0.00 32.58 30.71 1xl1 s HIS 208 CO 0.04 -0.74 0.31 0.25 -0.85 0.00 0.00 174.74 173.74 1xl1 n THR 209 N 5.09 0.00 -0.02 1.30 -2.24 -0.92 -5.01 114.28 112.47 1xl1 n THR 209 Ca -0.11 -0.91 -0.06 0.00 -2.27 0.00 0.00 64.05 60.70 1xl1 n THR 209 Cb 0.45 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 1xl1 n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xl1 h SER 210 N 0.12 -0.72 -3.70 3.42 0.02 -2.03 -3.33 113.55 107.33 1xl1 h SER 210 Ca -0.13 0.09 -0.73 0.00 -0.84 0.00 0.00 61.79 60.17 1xl1 h SER 210 Cb 0.57 0.29 -0.30 0.00 0.14 0.00 0.00 62.40 63.09 1xl1 h SER 210 CO 0.20 -0.18 -0.25 -1.58 -1.14 0.00 0.00 176.83 173.88 1xl1 s GLN 211 N -4.08 2.82 0.00 3.45 2.00 -1.26 -5.02 119.66 117.57 1xl1 s GLN 211 Ca -0.06 -2.20 0.00 0.00 -2.00 0.00 0.00 55.36 51.10 1xl1 s GLN 211 Cb 0.03 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.83 1xl1 s GLN 211 CO 0.25 -1.22 0.00 0.41 -0.50 0.00 0.00 175.29 174.23 1xl1 n GLY 212 N 4.21 -0.86 3.89 2.59 0.00 -1.25 -5.00 105.19 108.77 1xl1 n GLY 212 Ca 0.03 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1xl1 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl1 s ALA 213 N -2.54 3.69 -0.03 4.61 0.00 -1.26 -2.16 121.76 124.07 1xl1 s ALA 213 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1xl1 s ALA 213 Cb 0.00 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 20.87 1xl1 s ALA 213 CO 0.00 0.51 -0.13 0.15 0.00 0.00 0.00 175.76 176.29 1xl1 s LYS 214 N -2.94 1.35 -0.40 0.00 1.02 0.20 -4.88 119.74 114.08 1xl1 s LYS 214 Ca 0.43 -0.47 -0.16 0.00 0.02 0.00 0.00 55.97 55.79 1xl1 s LYS 214 Cb -0.11 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.99 1xl1 s LYS 214 CO 0.25 0.20 0.38 -0.46 -0.92 0.00 0.00 175.35 174.80 1xl1 s TRP 215 N 0.05 3.20 0.40 3.18 -0.00 -1.26 0.38 118.94 124.88 1xl1 s TRP 215 Ca -0.02 -0.38 0.04 0.00 -0.00 0.00 0.00 56.10 55.74 1xl1 s TRP 215 Cb -0.09 -2.76 -0.05 0.00 -0.00 0.00 0.00 33.47 30.57 1xl1 s TRP 215 CO 0.01 -0.62 0.05 0.14 -0.00 0.00 0.00 176.95 176.53 1xl1 s VAL 216 N 1.97 1.27 -1.46 5.86 -7.23 -0.23 -4.82 120.40 115.76 1xl1 s VAL 216 Ca 0.10 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1xl1 s VAL 216 Cb -0.18 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.16 1xl1 s VAL 216 CO 0.12 0.00 0.75 0.47 -0.31 0.00 0.00 175.10 176.13 1xl1 n ASP 217 N -0.99 -5.46 -4.91 4.85 8.00 -1.26 -0.81 116.55 115.98 1xl1 n ASP 217 Ca -0.07 -0.43 -0.27 0.00 0.71 0.00 0.00 54.79 54.72 1xl1 n ASP 217 Cb 0.66 -4.39 -0.00 0.00 -0.02 0.00 0.00 41.12 37.37 1xl1 n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xl1 s THR 218 N -3.17 4.91 -0.13 -3.53 -4.23 -1.26 -3.36 115.64 104.87 1xl1 s THR 218 Ca 0.44 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1xl1 s THR 218 Cb -0.21 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 69.72 1xl1 s THR 218 CO 0.54 -0.85 0.22 -1.10 -0.54 0.00 0.00 174.62 172.89 1xl1 s GLN 219 N -4.74 3.91 -0.13 3.99 -0.21 0.37 -4.89 119.66 117.96 1xl1 s GLN 219 Ca 0.47 -0.00 -0.04 0.00 0.02 0.00 0.00 55.36 55.80 1xl1 s GLN 219 Cb -0.10 -3.31 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 1xl1 s GLN 219 CO 0.45 0.51 0.03 0.08 -2.12 0.00 0.00 175.29 174.23 1xl1 s VAL 220 N -0.30 4.53 -0.05 1.09 1.01 -1.26 -0.98 120.40 124.44 1xl1 s VAL 220 Ca 0.15 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1xl1 s VAL 220 Cb -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1xl1 s VAL 220 CO 0.04 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1xl1 s VAL 221 N -0.34 1.40 0.14 2.92 1.01 -0.15 -4.48 120.40 120.89 1xl1 s VAL 221 Ca 0.08 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1xl1 s VAL 221 Cb -0.12 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 1xl1 s VAL 221 CO 0.02 0.41 0.65 -0.76 0.00 0.00 0.00 175.10 175.41 1xl1 s LEU 222 N 0.22 4.47 -0.30 3.92 1.43 0.17 -0.23 118.68 128.36 1xl1 s LEU 222 Ca -0.08 1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 54.32 1xl1 s LEU 222 Cb -0.13 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1xl1 s LEU 222 CO 0.03 0.18 0.05 0.00 0.23 0.00 0.00 176.35 176.84 1xl1 s ALA 223 N -1.27 2.97 -0.24 4.21 0.00 0.20 -0.25 121.76 127.37 1xl1 s ALA 223 Ca 0.35 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 1xl1 s ALA 223 Cb -0.19 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1xl1 s ALA 223 CO 0.21 -1.02 0.14 1.41 0.00 0.00 0.00 175.76 176.49 1xl1 s MET 224 N 1.42 3.95 0.18 0.00 1.75 0.62 -1.47 119.30 125.75 1xl1 s MET 224 Ca 0.01 -0.33 -0.17 0.00 -1.25 0.00 0.00 55.69 53.94 1xl1 s MET 224 Cb -0.18 -3.48 -0.08 0.00 2.84 0.00 0.00 34.83 33.94 1xl1 s MET 224 CO 0.01 -0.01 0.64 -1.25 -0.65 0.00 0.00 175.02 173.76 1xl1 s PRO 225 N 1.23 4.12 -0.13 4.11 0.04 -1.26 -0.27 135.00 142.83 1xl1 s PRO 225 Ca 0.06 0.68 0.01 0.00 0.04 0.00 0.00 61.00 61.80 1xl1 s PRO 225 Cb -0.14 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1xl1 s PRO 225 CO 0.05 0.44 -0.16 0.71 0.04 0.00 0.00 177.00 178.08 1xl1 s TYR 226 N -1.49 2.16 -0.16 0.56 1.51 0.46 -0.86 117.35 119.52 1xl1 s TYR 226 Ca 0.40 -1.11 -0.10 0.00 -1.01 0.00 0.00 57.07 55.26 1xl1 s TYR 226 Cb -0.16 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1xl1 s TYR 226 CO 0.20 -0.58 0.17 -0.51 -1.11 0.00 0.00 175.55 173.72 1xl1 s ASP 227 N 1.16 6.33 -0.07 2.29 -0.00 -0.34 -0.93 116.67 125.11 1xl1 s ASP 227 Ca -0.02 0.38 0.05 0.00 -0.00 0.00 0.00 52.55 52.96 1xl1 s ASP 227 Cb -0.14 -2.10 -0.00 0.00 -0.00 0.00 0.00 42.92 40.67 1xl1 s ASP 227 CO -0.05 0.25 -0.22 -0.89 -0.00 0.00 0.00 175.17 174.25 1xl1 s THR 228 N -0.13 1.86 0.29 -1.27 2.01 -0.04 -0.28 115.64 118.07 1xl1 s THR 228 Ca 0.12 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 1xl1 s THR 228 Cb -0.12 -1.59 -0.09 0.00 0.01 0.00 0.00 72.50 70.70 1xl1 s THR 228 CO 0.01 0.52 1.10 -2.16 -0.69 0.00 0.00 174.62 173.40 1xl1 s PRO 229 N 0.10 4.58 -0.40 4.92 0.04 -1.26 -0.96 135.00 142.02 1xl1 s PRO 229 Ca -0.09 1.78 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1xl1 s PRO 229 Cb -0.15 -3.11 0.11 0.00 0.04 0.00 0.00 34.50 31.39 1xl1 s PRO 229 CO 0.05 0.16 0.14 0.08 0.04 0.00 0.00 177.00 177.48 1xl1 s VAL 230 N -1.22 1.99 0.19 -0.36 1.01 0.85 -4.89 120.40 117.97 1xl1 s VAL 230 Ca 0.46 -2.48 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 1xl1 s VAL 230 Cb -0.31 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1xl1 s VAL 230 CO 0.40 -0.71 1.07 -2.16 0.00 0.00 0.00 175.10 173.69 1xl1 s PRO 231 N 0.62 4.64 0.81 2.72 0.04 -1.26 -0.19 135.00 142.38 1xl1 s PRO 231 Ca 0.13 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1xl1 s PRO 231 Cb -0.21 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.13 1xl1 s PRO 231 CO -0.07 0.16 1.17 0.20 0.04 0.00 0.00 177.00 178.49 1xl1 s GLY 232 N -0.32 1.59 -0.54 0.56 0.00 0.21 -4.75 107.32 104.08 1xl1 s GLY 232 Ca 0.47 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 44.30 1xl1 s GLY 232 CO 0.35 -0.12 1.24 -0.47 0.00 0.00 0.00 173.10 174.10 1xl1 s TYR 233 N -3.53 2.57 -0.69 1.90 6.14 -1.26 -4.21 117.35 118.26 1xl1 s TYR 233 Ca 0.62 0.52 -0.02 0.00 0.64 0.00 0.00 57.07 58.82 1xl1 s TYR 233 Cb -0.11 -4.46 0.02 0.00 0.42 0.00 0.00 41.96 37.83 1xl1 s TYR 233 CO 0.50 -1.63 0.10 0.54 0.64 0.00 0.00 175.55 175.69 1xl1 n ARG 234 N 8.32 -2.64 -0.04 4.97 3.00 0.29 -4.78 116.66 125.78 1xl1 n ARG 234 Ca 0.11 0.32 0.01 0.00 -0.01 0.00 0.00 57.85 58.28 1xl1 n ARG 234 Cb 0.49 -4.89 0.03 0.00 0.00 0.00 0.00 32.46 28.09 1xl1 n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1xl1 n ASN 235 N -1.78 2.06 -0.51 0.55 2.04 -1.26 -4.93 115.26 111.43 1xl1 n ASN 235 Ca -0.06 -1.85 -0.07 0.00 -0.44 0.00 0.00 54.58 52.17 1xl1 n ASN 235 Cb 0.55 -0.05 -0.03 0.00 -2.53 0.00 0.00 39.78 37.72 1xl1 n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xl1 n ASN 236 N -0.17 -5.32 -4.75 0.53 3.02 -1.26 -1.26 115.26 106.04 1xl1 n ASN 236 Ca 0.03 0.16 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 1xl1 n ASN 236 Cb 0.26 -3.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.95 1xl1 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xl1 s VAL 237 N -1.74 5.14 -0.24 2.41 1.01 -1.26 -4.78 120.40 120.93 1xl1 s VAL 237 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 1xl1 s VAL 237 Cb 0.00 -3.78 0.07 0.00 0.00 0.00 0.00 36.38 32.67 1xl1 s VAL 237 CO 0.00 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.85 1xl1 s VAL 238 N 0.12 0.79 0.64 2.92 1.01 -1.26 0.65 120.40 125.27 1xl1 s VAL 238 Ca 0.25 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1xl1 s VAL 238 Cb -0.16 -1.35 0.13 0.00 0.00 0.00 0.00 36.38 35.00 1xl1 s VAL 238 CO 0.11 -0.34 0.87 0.59 0.00 0.00 0.00 175.10 176.33 1xl1 n ASN 239 N 4.93 0.82 -4.24 3.32 3.02 0.73 -4.67 115.26 119.17 1xl1 n ASN 239 Ca -0.07 -1.78 -0.28 0.00 -0.03 0.00 0.00 54.58 52.42 1xl1 n ASN 239 Cb 0.45 -0.60 -0.16 0.00 -0.61 0.00 0.00 39.78 38.86 1xl1 n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xl1 s THR 240 N -2.67 1.74 -0.26 3.41 2.01 -1.25 -0.11 115.64 118.51 1xl1 s THR 240 Ca 0.55 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 1xl1 s THR 240 Cb -0.03 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.05 1xl1 s THR 240 CO 0.37 0.49 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.47 1xl1 s MET 241 N -0.44 2.99 -0.26 4.92 1.75 -0.13 -1.78 119.30 126.34 1xl1 s MET 241 Ca 0.07 -0.89 -0.08 0.00 -1.25 0.00 0.00 55.69 53.53 1xl1 s MET 241 Cb -0.09 -3.13 -0.03 0.00 2.84 0.00 0.00 34.83 34.43 1xl1 s MET 241 CO -0.00 -0.39 0.09 0.50 -0.65 0.00 0.00 175.02 174.56 1xl1 s ARG 242 N 1.40 3.60 -0.15 4.11 3.52 0.17 -0.87 118.95 130.74 1xl1 s ARG 242 Ca 0.02 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1xl1 s ARG 242 Cb -0.17 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1xl1 s ARG 242 CO -0.02 -0.23 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.64 1xl1 s LEU 243 N 1.62 2.89 0.05 -0.88 1.02 -0.11 -1.96 118.68 121.31 1xl1 s LEU 243 Ca 0.06 -0.28 -0.19 0.00 0.02 0.00 0.00 54.13 53.74 1xl1 s LEU 243 Cb -0.15 -1.68 -0.06 0.00 0.02 0.00 0.00 46.19 44.31 1xl1 s LEU 243 CO 0.04 0.14 0.55 0.26 0.02 0.00 0.00 176.35 177.36 1xl1 s TRP 244 N 0.54 3.78 -0.04 0.29 0.52 -0.25 -0.41 118.94 123.38 1xl1 s TRP 244 Ca -0.06 1.23 0.07 0.00 0.02 0.00 0.00 56.10 57.35 1xl1 s TRP 244 Cb -0.15 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 1xl1 s TRP 244 CO 0.03 0.56 -0.25 0.45 0.02 0.00 0.00 176.95 177.76 1xl1 s SER 245 N -0.96 3.11 0.05 2.95 0.15 0.63 -0.40 113.70 119.24 1xl1 s SER 245 Ca 0.29 -0.48 -0.28 0.00 0.70 0.00 0.00 55.95 56.18 1xl1 s SER 245 Cb -0.19 -0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 1xl1 s SER 245 CO 0.18 0.28 0.87 0.00 1.20 0.00 0.00 173.24 175.77 1xl1 s ALA 246 N -0.39 3.29 -0.02 5.45 0.00 -1.26 -0.28 121.76 128.56 1xl1 s ALA 246 Ca 0.03 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1xl1 s ALA 246 Cb -0.12 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1xl1 s ALA 246 CO 0.01 -0.03 -0.04 0.15 0.00 0.00 0.00 175.76 175.85 1xl1 s LYS 247 N 0.21 0.51 0.27 0.00 -0.14 0.66 -4.64 119.74 116.60 1xl1 s LYS 247 Ca 0.44 -0.13 -0.26 0.00 -1.36 0.00 0.00 55.97 54.66 1xl1 s LYS 247 Cb -0.21 -0.53 -0.09 0.00 -1.68 0.00 0.00 37.83 35.32 1xl1 s LYS 247 CO 0.26 0.03 0.88 0.00 -0.76 0.00 0.00 175.35 175.77 1xl1 s ALA 248 N 0.28 3.30 0.77 5.17 0.00 -1.26 0.41 121.76 130.43 1xl1 s ALA 248 Ca -0.03 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1xl1 s ALA 248 Cb -0.07 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1xl1 s ALA 248 CO -0.00 0.22 1.11 -1.25 0.00 0.00 0.00 175.76 175.84 1xl1 s PRO 249 N -1.78 2.14 0.47 0.00 0.04 -1.26 -4.86 135.00 129.75 1xl1 s PRO 249 Ca 0.46 1.32 0.27 0.00 0.04 0.00 0.00 61.00 63.08 1xl1 s PRO 249 Cb -0.20 -1.87 0.97 0.00 0.04 0.00 0.00 34.50 33.43 1xl1 s PRO 249 CO 0.25 -1.75 1.84 -0.91 0.04 0.00 0.00 177.00 176.47 1xl1 h ASN 250 N -0.98 0.00 -0.05 6.66 2.35 -1.99 -2.50 115.58 119.06 1xl1 h ASN 250 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1xl1 h ASN 250 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1xl1 h ASN 250 CO 0.50 0.14 0.00 -0.90 -1.65 0.00 0.00 177.43 175.52 1xl1 n ASP 251 N -3.25 1.19 -4.64 5.81 5.75 -1.26 -4.86 116.55 115.30 1xl1 n ASP 251 Ca 0.01 -1.48 -0.52 0.00 -0.01 0.00 0.00 54.79 52.80 1xl1 n ASP 251 Cb 0.41 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.42 1xl1 n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1xl1 n PHE 252 N -0.04 1.84 -1.03 2.11 7.35 -0.95 -0.40 117.46 126.35 1xl1 n PHE 252 Ca 0.19 0.49 -0.03 0.00 -0.76 0.00 0.00 57.45 57.33 1xl1 n PHE 252 Cb 0.29 -2.43 -0.01 0.00 0.35 0.00 0.00 39.48 37.67 1xl1 n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1xl1 n ASN 253 N 3.63 -5.46 -3.99 -2.13 4.13 -1.26 -4.83 115.26 105.36 1xl1 n ASN 253 Ca 0.20 0.08 -0.31 0.00 1.68 0.00 0.00 54.58 56.24 1xl1 n ASN 253 Cb 0.21 -3.49 -0.15 0.00 -1.54 0.00 0.00 39.78 34.80 1xl1 n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xl1 s LEU 254 N -0.80 2.81 1.05 3.41 1.43 0.47 -4.82 118.68 122.23 1xl1 s LEU 254 Ca 0.00 -1.22 -0.22 0.00 -1.03 0.00 0.00 54.13 51.67 1xl1 s LEU 254 Cb 0.00 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1xl1 s LEU 254 CO 0.00 -0.21 -0.62 0.61 0.23 0.00 0.00 176.35 176.36 1xl1 n GLY 261 N 4.60 -2.66 0.13 -3.19 0.00 -1.26 -4.90 105.19 97.90 1xl1 n GLY 261 Ca -0.13 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1xl1 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xl1 h TYR 262 N -1.69 -0.21 -0.28 1.61 3.20 -1.99 -1.67 116.97 115.93 1xl1 h TYR 262 Ca -0.44 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.48 1xl1 h TYR 262 Cb 1.29 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 1xl1 h TYR 262 CO -0.25 -0.13 -0.03 0.82 -1.64 0.00 0.00 178.16 176.93 1xl1 h ILE 263 N -0.21 0.77 -0.70 1.81 1.08 -2.02 -2.17 117.51 116.07 1xl1 h ILE 263 Ca -0.01 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1xl1 h ILE 263 Cb 0.18 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 1xl1 h ILE 263 CO 0.01 0.01 0.43 1.56 -0.69 0.00 0.00 178.15 179.47 1xl1 h GLN 264 N 0.05 0.79 -0.88 2.37 1.08 -1.97 -1.66 115.11 114.90 1xl1 h GLN 264 Ca 0.14 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1xl1 h GLN 264 Cb 0.19 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1xl1 h GLN 264 CO -0.25 0.53 0.58 0.00 -0.95 0.00 0.00 178.83 178.73 1xl1 h ALA 265 N 1.32 1.47 -0.32 3.87 0.00 -0.82 0.20 119.26 124.97 1xl1 h ALA 265 Ca 0.29 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 1xl1 h ALA 265 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xl1 h ALA 265 CO -0.13 0.43 -0.49 0.28 0.00 0.00 0.00 179.25 179.34 1xl1 h VAL 266 N 1.07 1.27 -0.06 0.00 2.07 -0.78 -3.11 116.25 116.72 1xl1 h VAL 266 Ca 0.36 -1.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.10 1xl1 h VAL 266 Cb 0.07 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1xl1 h VAL 266 CO -0.11 0.55 -0.46 -0.07 0.02 0.00 0.00 177.57 177.50 1xl1 h LEU 267 N 0.70 0.14 0.00 2.57 3.38 -0.72 -2.86 115.31 118.52 1xl1 h LEU 267 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xl1 h LEU 267 Cb 1.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xl1 h LEU 267 CO 0.11 0.59 0.00 0.47 0.09 0.00 0.00 178.44 179.70 1xl1 n ASP 268 N -3.99 0.00 0.27 -0.43 8.00 0.00 -2.37 116.55 118.03 1xl1 n ASP 268 Ca -0.02 -0.61 0.13 0.00 0.71 0.00 0.00 54.79 55.00 1xl1 n ASP 268 Cb 0.50 -0.02 0.75 0.00 -0.02 0.00 0.00 41.12 42.34 1xl1 n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1xl1 h ARG 269 N 0.00 0.00 -0.96 -1.24 3.08 -1.56 -1.72 114.38 111.98 1xl1 h ARG 269 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1xl1 h ARG 269 Cb 0.01 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 1xl1 h ARG 269 CO 0.00 0.10 0.61 -0.91 -1.07 0.00 0.00 179.97 178.70 1xl1 h ASN 270 N 0.00 0.76 -0.70 7.04 -0.26 -1.71 -1.54 115.58 119.17 1xl1 h ASN 270 Ca -0.00 0.06 0.11 0.00 -0.56 0.00 0.00 56.30 55.90 1xl1 h ASN 270 Cb 0.27 -0.09 -0.08 0.00 -1.06 0.00 0.00 38.32 37.36 1xl1 h ASN 270 CO 0.01 0.36 0.32 -0.07 -1.06 0.00 0.00 177.43 176.99 1xl1 h LEU 271 N 0.79 0.37 -0.07 1.61 4.07 -1.56 0.31 115.31 120.84 1xl1 h LEU 271 Ca 0.50 0.08 -0.25 0.00 0.08 0.00 0.00 57.88 58.29 1xl1 h LEU 271 Cb 0.73 0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.50 1xl1 h LEU 271 CO -0.27 0.20 -1.03 0.00 -1.08 0.00 0.00 178.44 176.26 1xl1 h ALA 272 N 1.46 0.23 0.00 1.53 0.00 -1.46 -3.25 119.26 117.77 1xl1 h ALA 272 Ca 0.36 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xl1 h ALA 272 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xl1 h ALA 272 CO -0.31 0.78 0.00 0.39 0.00 0.00 0.00 179.25 180.11 1xl1 n GLU 273 N -3.76 0.03 0.20 0.00 1.02 -0.88 -3.12 120.64 114.13 1xl1 n GLU 273 Ca -0.09 0.05 0.15 0.00 -0.02 0.00 0.00 57.16 57.24 1xl1 n GLU 273 Cb 0.88 -1.50 0.65 0.00 -0.02 0.00 0.00 31.44 31.46 1xl1 n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1xl1 h ASN 274 N 0.00 0.00 -0.75 1.62 2.35 -0.98 -3.10 115.58 114.71 1xl1 h ASN 274 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1xl1 h ASN 274 Cb 0.44 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 1xl1 h ASN 274 CO 0.00 0.00 0.41 0.40 -1.65 0.00 0.00 177.43 176.59 1xl1 h ILE 275 N 0.00 0.91 -0.57 2.81 2.04 -1.76 -2.05 117.51 118.89 1xl1 h ILE 275 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1xl1 h ILE 275 Cb 0.28 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1xl1 h ILE 275 CO 0.00 0.13 0.00 -1.54 0.00 0.00 0.00 178.15 176.74 1xl1 n SER 276 N -4.79 5.20 -0.03 1.72 3.41 -1.17 -4.63 113.62 113.33 1xl1 n SER 276 Ca 0.11 -2.77 -0.13 0.00 -0.26 0.00 0.00 58.87 55.83 1xl1 n SER 276 Cb 0.25 -0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 63.48 1xl1 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xl1 h ARG 277 N 3.79 0.14 -3.44 4.33 9.65 -1.46 -1.74 114.38 125.66 1xl1 h ARG 277 Ca 0.00 -0.07 -0.16 0.00 -1.10 0.00 0.00 59.98 58.64 1xl1 h ARG 277 Cb 1.74 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 30.09 1xl1 h ARG 277 CO 0.37 0.58 -0.51 0.54 2.80 0.00 0.00 179.97 183.75 1xl1 s VAL 278 N -4.31 0.05 0.09 0.20 0.11 -1.26 -0.67 120.40 114.60 1xl1 s VAL 278 Ca -0.15 -0.38 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 1xl1 s VAL 278 Cb 0.03 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.48 1xl1 s VAL 278 CO 0.70 -0.21 1.07 -0.22 -3.33 0.00 0.00 175.10 173.11 1xl1 s LEU 279 N -0.71 4.43 -0.05 2.54 2.96 -0.78 -4.99 118.68 122.08 1xl1 s LEU 279 Ca -0.08 1.90 -0.30 0.00 -0.22 0.00 0.00 54.13 55.43 1xl1 s LEU 279 Cb -0.05 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1xl1 s LEU 279 CO 0.01 -0.26 1.42 -0.31 -1.32 0.00 0.00 176.35 175.88 1xl1 s TYR 280 N 0.46 2.67 -0.02 5.38 1.51 -1.26 -4.85 117.35 121.24 1xl1 s TYR 280 Ca 0.52 0.74 0.00 0.00 -1.01 0.00 0.00 57.07 57.32 1xl1 s TYR 280 Cb -0.26 -3.67 0.02 0.00 -0.11 0.00 0.00 41.96 37.94 1xl1 s TYR 280 CO 0.31 -2.54 1.07 -0.35 -1.11 0.00 0.00 175.55 172.93 1xl1 n PRO 281 N 6.04 1.04 -3.60 -1.71 -0.04 -1.26 -4.89 135.00 130.57 1xl1 n PRO 281 Ca 0.14 -0.10 -0.36 0.00 -0.04 0.00 0.00 63.50 63.14 1xl1 n PRO 281 Cb 0.44 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 1xl1 n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xl1 s ASN 282 N 0.96 6.34 -0.26 3.54 0.01 -1.26 -4.44 114.94 119.83 1xl1 s ASN 282 Ca 0.02 0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 52.51 1xl1 s ASN 282 Cb 0.02 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.53 1xl1 s ASN 282 CO 0.00 0.12 0.01 -0.62 -1.51 0.00 0.00 177.10 175.10 1xl1 s ASP 283 N 0.48 4.68 -1.19 -1.22 2.15 -1.26 -4.62 116.67 115.69 1xl1 s ASP 283 Ca 0.13 -0.62 -0.01 0.00 0.43 0.00 0.00 52.55 52.48 1xl1 s ASP 283 Cb -0.12 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 1xl1 s ASP 283 CO 0.02 -0.11 1.00 0.59 -0.17 0.00 0.00 175.17 176.49 1xl1 n ASN 284 N 4.80 -2.50 -3.61 -0.34 3.02 -1.26 -5.00 115.26 110.36 1xl1 n ASN 284 Ca -0.16 -0.60 -0.03 0.00 -0.03 0.00 0.00 54.58 53.76 1xl1 n ASN 284 Cb 0.49 -5.01 -0.06 0.00 -0.61 0.00 0.00 39.78 34.60 1xl1 n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xl1 s PHE 285 N -3.35 -1.01 -0.17 3.10 5.36 -1.26 -4.35 117.98 116.31 1xl1 s PHE 285 Ca 0.06 1.87 -0.18 0.00 -0.96 0.00 0.00 56.93 57.73 1xl1 s PHE 285 Cb -0.03 0.60 -0.04 0.00 -0.34 0.00 0.00 43.02 43.22 1xl1 s PHE 285 CO 0.71 -0.50 0.48 0.12 -1.46 0.00 0.00 175.22 174.58 1xl1 s PHE 286 N 2.10 3.42 -0.28 10.12 2.19 0.43 -4.84 117.98 131.14 1xl1 s PHE 286 Ca -0.07 0.79 0.02 0.00 0.33 0.00 0.00 56.93 57.99 1xl1 s PHE 286 Cb -0.07 -2.60 0.06 0.00 -1.31 0.00 0.00 43.02 39.09 1xl1 s PHE 286 CO -0.18 0.01 -0.07 -2.00 1.83 0.00 0.00 175.22 174.81 1xl1 s GLU 287 N 1.22 2.27 -1.45 10.12 2.12 -1.26 -4.95 118.70 126.76 1xl1 s GLU 287 Ca 0.24 -1.35 -0.11 0.00 0.36 0.00 0.00 54.97 54.11 1xl1 s GLU 287 Cb -0.15 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.18 1xl1 s GLU 287 CO 0.10 -0.60 2.63 0.41 -0.54 0.00 0.00 175.26 177.25 1xl1 n GLY 288 N 4.48 4.04 3.88 -1.50 0.00 -1.26 -4.92 105.19 109.92 1xl1 n GLY 288 Ca -0.13 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1xl1 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl1 s LYS 289 N 2.71 3.59 0.22 1.61 -0.14 -1.26 -5.00 119.74 121.47 1xl1 s LYS 289 Ca 0.60 -0.07 -0.07 0.00 -1.36 0.00 0.00 55.97 55.06 1xl1 s LYS 289 Cb 0.16 -3.06 0.30 0.00 -1.68 0.00 0.00 37.83 33.54 1xl1 s LYS 289 CO -0.05 0.63 1.81 1.49 -0.76 0.00 0.00 175.35 178.47 1xl1 h GLU 290 N 3.89 0.71 -1.00 1.68 4.81 -2.00 -1.86 114.58 120.82 1xl1 h GLU 290 Ca -0.50 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.78 1xl1 h GLU 290 Cb 1.19 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 1xl1 h GLU 290 CO 0.67 0.47 0.64 1.25 -0.73 0.00 0.00 179.01 181.31 1xl1 h LEU 291 N 0.74 0.98 -0.59 1.64 5.85 -1.98 0.23 115.31 122.16 1xl1 h LEU 291 Ca 0.33 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.99 1xl1 h LEU 291 Cb 0.24 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1xl1 h LEU 291 CO -0.20 0.58 0.01 -0.09 -0.34 0.00 0.00 178.44 178.39 1xl1 h ARG 292 N 1.08 1.04 -0.60 1.25 9.65 -1.71 -1.30 114.38 123.78 1xl1 h ARG 292 Ca 0.46 -0.33 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1xl1 h ARG 292 Cb 0.32 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1xl1 h ARG 292 CO -0.21 1.02 0.27 1.25 2.80 0.00 0.00 179.97 185.10 1xl1 h LEU 293 N 0.93 0.81 -0.89 3.80 5.85 -0.79 -1.10 115.31 123.91 1xl1 h LEU 293 Ca 0.17 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1xl1 h LEU 293 Cb 0.54 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1xl1 h LEU 293 CO 0.03 0.73 0.59 0.11 -0.34 0.00 0.00 178.44 179.55 1xl1 h LYS 294 N 0.83 1.15 -0.57 1.25 1.57 -0.61 -0.94 116.57 119.25 1xl1 h LYS 294 Ca 0.21 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1xl1 h LYS 294 Cb 0.15 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1xl1 h LYS 294 CO -0.02 0.76 0.29 1.96 -0.57 0.00 0.00 179.45 181.87 1xl1 h GLN 295 N 1.18 0.80 -0.60 3.15 4.20 -0.67 0.13 115.11 123.31 1xl1 h GLN 295 Ca 0.34 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1xl1 h GLN 295 Cb -0.09 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 1xl1 h GLN 295 CO -0.09 0.64 0.26 0.93 -0.67 0.00 0.00 178.83 179.90 1xl1 h GLU 296 N 0.77 0.88 -0.26 1.46 5.08 -0.52 -1.95 114.58 120.04 1xl1 h GLU 296 Ca 0.20 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1xl1 h GLU 296 Cb 0.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xl1 h GLU 296 CO -0.03 0.74 -0.57 -0.92 -1.00 0.00 0.00 179.01 177.23 1xl1 h TYR 297 N 0.82 1.08 -0.20 4.33 3.20 -0.97 -2.81 116.97 122.43 1xl1 h TYR 297 Ca 0.20 -0.40 0.06 0.00 3.14 0.00 0.00 58.73 61.73 1xl1 h TYR 297 Cb 0.17 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1xl1 h TYR 297 CO 0.01 1.23 -0.23 0.35 -1.64 0.00 0.00 178.16 177.87 1xl1 h PHE 298 N 0.62 -0.62 -0.55 -3.82 3.57 -0.53 0.41 116.94 116.02 1xl1 h PHE 298 Ca 0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1xl1 h PHE 298 Cb 1.19 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 1xl1 h PHE 298 CO 0.08 -0.31 0.03 -0.24 -2.23 0.00 0.00 178.31 175.63 1xl1 h VAL 299 N -0.26 1.25 -0.03 1.41 3.04 -1.41 -2.56 116.25 117.70 1xl1 h VAL 299 Ca 0.12 -1.05 -0.01 0.00 -1.01 0.00 0.00 66.70 64.76 1xl1 h VAL 299 Cb 0.45 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1xl1 h VAL 299 CO -0.35 0.38 -0.01 0.58 -1.01 0.00 0.00 177.57 177.16 1xl1 h VAL 300 N 0.86 1.29 -0.00 1.51 2.07 -1.13 -2.27 116.25 118.58 1xl1 h VAL 300 Ca 0.17 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1xl1 h VAL 300 Cb 0.47 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1xl1 h VAL 300 CO 0.02 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1xl1 h ALA 301 N 0.64 0.00 -0.51 1.67 0.00 -0.18 -0.89 119.26 120.01 1xl1 h ALA 301 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xl1 h ALA 301 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xl1 h ALA 301 CO 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 179.25 178.86 1xl1 h ALA 302 N 1.00 0.67 0.04 0.00 0.00 -1.55 -2.79 119.26 116.63 1xl1 h ALA 302 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xl1 h ALA 302 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xl1 h ALA 302 CO -0.00 0.38 -0.02 1.15 0.00 0.00 0.00 179.25 180.76 1xl1 h THR 303 N 0.71 1.02 -0.92 0.00 2.02 -1.26 -2.12 112.91 112.37 1xl1 h THR 303 Ca 0.16 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1xl1 h THR 303 Cb 0.36 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1xl1 h THR 303 CO 0.01 0.05 0.60 -0.07 0.37 0.00 0.00 175.52 176.48 1xl1 h LEU 304 N -0.14 1.02 -0.65 2.58 3.38 -1.17 0.18 115.31 120.51 1xl1 h LEU 304 Ca -0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1xl1 h LEU 304 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1xl1 h LEU 304 CO 0.01 0.71 0.19 1.56 0.09 0.00 0.00 178.44 181.01 1xl1 h GLN 305 N 1.19 1.01 -0.53 1.13 4.20 -1.38 0.66 115.11 121.39 1xl1 h GLN 305 Ca 0.35 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1xl1 h GLN 305 Cb -0.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1xl1 h GLN 305 CO -0.10 0.89 0.11 0.22 -0.67 0.00 0.00 178.83 179.28 1xl1 h ASP 306 N 0.94 0.83 -0.04 1.46 -0.00 -0.65 0.51 116.42 119.47 1xl1 h ASP 306 Ca 0.21 -0.25 -0.00 0.00 -0.00 0.00 0.00 57.03 56.99 1xl1 h ASP 306 Cb 0.31 -0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 39.42 1xl1 h ASP 306 CO -0.00 0.86 0.02 0.40 -0.00 0.00 0.00 179.24 180.52 1xl1 h ILE 307 N 0.76 1.11 -0.61 2.25 2.04 -0.35 -0.96 117.51 121.74 1xl1 h ILE 307 Ca 0.16 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1xl1 h ILE 307 Cb 0.37 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1xl1 h ILE 307 CO 0.01 0.09 0.29 0.40 0.00 0.00 0.00 178.15 178.93 1xl1 h ILE 308 N -0.07 1.22 -0.62 -0.67 2.04 -0.73 -0.90 117.51 117.78 1xl1 h ILE 308 Ca 0.01 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1xl1 h ILE 308 Cb 0.13 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1xl1 h ILE 308 CO -0.00 0.25 0.39 -0.09 0.00 0.00 0.00 178.15 178.71 1xl1 h ARG 309 N 0.84 0.76 -0.55 2.37 2.43 -0.75 -0.00 114.38 119.48 1xl1 h ARG 309 Ca 0.21 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1xl1 h ARG 309 Cb 0.13 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1xl1 h ARG 309 CO -0.02 0.50 0.12 -0.09 -1.51 0.00 0.00 179.97 178.97 1xl1 h ARG 310 N 0.79 0.86 0.15 0.20 2.43 -0.78 -3.07 114.38 114.96 1xl1 h ARG 310 Ca 0.24 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1xl1 h ARG 310 Cb -0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1xl1 h ARG 310 CO -0.09 0.79 -0.07 0.35 -1.51 0.00 0.00 179.97 179.44 1xl1 h PHE 311 N 0.83 -0.18 0.00 2.20 3.57 -0.38 -2.88 116.94 120.09 1xl1 h PHE 311 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1xl1 h PHE 311 Cb 0.33 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1xl1 h PHE 311 CO 0.02 0.09 0.19 1.63 -2.23 0.00 0.00 178.31 178.01 1xl1 n LYS 312 N -5.06 0.05 -0.06 1.11 5.02 -0.09 -2.17 118.16 116.95 1xl1 n LYS 312 Ca -0.09 0.45 -0.04 0.00 -2.02 0.00 0.00 58.31 56.61 1xl1 n LYS 312 Cb 0.19 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 1xl1 n LYS 312 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xl1 n SER 313 N -1.69 1.51 0.00 4.39 7.64 -1.10 -4.94 113.62 119.43 1xl1 n SER 313 Ca -0.00 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1xl1 n SER 313 Cb 0.20 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1xl1 n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xl1 n SER 314 N -4.19 0.00 0.00 6.43 7.64 -0.92 -5.16 113.62 117.42 1xl1 n SER 314 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1xl1 n SER 314 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1xl1 n SER 314 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1xl1 n THR 324 N 0.00 0.00 -3.81 0.44 5.66 -1.26 -5.07 114.28 110.24 1xl1 n THR 324 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1xl1 n THR 324 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1xl1 n THR 324 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xl1 s ASN 325 N 0.00 5.15 0.00 1.09 4.22 -1.26 -4.96 114.94 119.18 1xl1 s ASN 325 Ca 0.00 -1.23 0.12 0.00 -2.14 0.00 0.00 52.86 49.61 1xl1 s ASN 325 Cb 0.00 -1.81 0.63 0.00 1.28 0.00 0.00 41.25 41.35 1xl1 s ASN 325 CO 0.00 -0.31 1.42 0.49 -2.04 0.00 0.00 177.10 176.66 1xl1 n PHE 326 N 4.73 0.08 0.04 1.54 3.72 -1.26 -3.77 117.46 122.54 1xl1 n PHE 326 Ca -0.12 -0.04 0.06 0.00 -0.05 0.00 0.00 57.45 57.30 1xl1 n PHE 326 Cb 0.44 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.46 1xl1 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1xl1 h ASP 327 N 0.53 0.35 0.05 4.37 5.19 -1.97 0.23 116.42 125.18 1xl1 h ASP 327 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1xl1 h ASP 327 Cb 0.12 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1xl1 h ASP 327 CO 0.00 0.25 -0.12 0.00 -3.12 0.00 0.00 179.24 176.24 1xl1 n ALA 328 N -2.50 2.80 -0.15 3.45 0.00 -1.25 -4.35 120.51 118.52 1xl1 n ALA 328 Ca 0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1xl1 n ALA 328 Cb 0.13 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.58 1xl1 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xl1 h PHE 329 N 2.47 -0.02 0.00 0.00 3.04 -1.16 0.35 116.94 121.61 1xl1 h PHE 329 Ca 0.00 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1xl1 h PHE 329 Cb 0.62 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 1xl1 h PHE 329 CO 0.00 -0.10 -0.02 -1.35 -2.02 0.00 0.00 178.31 174.82 1xl1 h PRO 330 N 0.12 0.00 0.00 6.41 0.11 -1.76 0.68 132.00 137.56 1xl1 h PRO 330 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1xl1 h PRO 330 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1xl1 h PRO 330 CO -0.40 0.02 -0.21 -0.44 -0.21 0.00 0.00 178.00 176.75 1xl1 h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.21 -3.33 116.42 113.15 1xl1 h ASP 331 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xl1 h ASP 331 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xl1 h ASP 331 CO 0.00 0.00 -0.14 0.29 -1.72 0.00 0.00 179.24 177.68 1xl1 n LYS 332 N -2.95 2.44 -3.83 3.56 4.76 -0.71 -4.55 118.16 116.87 1xl1 n LYS 332 Ca 0.03 -0.46 -0.13 0.00 -2.87 0.00 0.00 58.31 54.88 1xl1 n LYS 332 Cb 0.53 -0.96 -0.14 0.00 -1.84 0.00 0.00 35.03 32.62 1xl1 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xl1 s VAL 333 N -1.05 -0.02 -0.05 -0.18 1.01 0.15 -0.81 120.40 119.44 1xl1 s VAL 333 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1xl1 s VAL 333 Cb 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.38 1xl1 s VAL 333 CO 0.16 0.03 -0.07 0.00 0.00 0.00 0.00 175.10 175.22 1xl1 s ALA 334 N 0.35 0.87 -0.21 5.51 0.00 -0.18 -4.50 121.76 123.60 1xl1 s ALA 334 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1xl1 s ALA 334 Cb -0.04 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1xl1 s ALA 334 CO -0.01 -0.02 -0.13 0.42 0.00 0.00 0.00 175.76 176.02 1xl1 s ILE 335 N 0.93 2.46 -0.23 0.00 1.01 -0.13 -0.05 121.20 125.20 1xl1 s ILE 335 Ca -0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 1xl1 s ILE 335 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1xl1 s ILE 335 CO 0.00 0.36 0.12 -1.58 0.00 0.00 0.00 174.94 173.85 1xl1 s GLN 336 N 1.30 3.94 -0.32 2.79 2.00 0.35 -1.51 119.66 128.20 1xl1 s GLN 336 Ca 0.02 -0.34 -0.16 0.00 -2.00 0.00 0.00 55.36 52.88 1xl1 s GLN 336 Cb -0.15 -3.43 -0.02 0.00 0.80 0.00 0.00 33.01 30.22 1xl1 s GLN 336 CO -0.08 0.03 0.42 -0.51 -0.50 0.00 0.00 175.29 174.65 1xl1 s LEU 337 N 1.09 4.29 -1.03 3.68 1.43 -0.09 -1.40 118.68 126.66 1xl1 s LEU 337 Ca 0.06 -0.00 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 1xl1 s LEU 337 Cb -0.14 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.69 1xl1 s LEU 337 CO 0.04 -0.34 1.44 0.21 0.23 0.00 0.00 176.35 177.93 1xl1 s ASN 338 N 1.71 6.54 0.40 2.29 2.47 -0.72 -2.34 114.94 125.29 1xl1 s ASN 338 Ca 0.15 -1.59 0.00 0.00 0.42 0.00 0.00 52.86 51.85 1xl1 s ASN 338 Cb -0.16 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1xl1 s ASN 338 CO 0.12 -1.44 0.00 -0.67 -3.72 0.00 0.00 177.10 171.39 1xl1 n ASP 339 N 8.63 -1.50 -0.13 -4.21 2.03 -0.40 -4.14 116.55 116.83 1xl1 n ASP 339 Ca 0.33 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.78 1xl1 n ASP 339 Cb 0.50 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.35 1xl1 n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xl1 n THR 340 N -0.21 0.00 -0.34 5.18 -2.24 -1.26 -4.31 114.28 111.10 1xl1 n THR 340 Ca 0.00 -0.07 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 1xl1 n THR 340 Cb 0.00 0.14 0.40 0.00 -2.10 0.00 0.00 70.33 68.77 1xl1 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1xl1 h HIS 341 N 0.64 0.94 -0.63 4.78 3.86 -1.96 0.31 115.15 123.08 1xl1 h HIS 341 Ca 0.00 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 58.99 1xl1 h HIS 341 Cb 0.46 -0.27 -0.15 0.00 1.06 0.00 0.00 27.41 28.50 1xl1 h HIS 341 CO 0.00 0.10 0.24 -0.35 0.86 0.00 0.00 177.93 178.78 1xl1 n PRO 342 N -4.80 2.72 0.30 2.45 -0.04 -1.26 -4.65 135.00 129.73 1xl1 n PRO 342 Ca 0.26 -3.07 0.18 0.00 -0.04 0.00 0.00 63.50 60.83 1xl1 n PRO 342 Cb 0.74 -2.05 1.01 0.00 -0.04 0.00 0.00 33.50 33.17 1xl1 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xl1 h SER 343 N 1.67 0.00 0.26 3.54 4.64 -0.62 -1.78 113.55 121.26 1xl1 h SER 343 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1xl1 h SER 343 Cb 2.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.26 1xl1 h SER 343 CO 0.67 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.81 1xl1 n LEU 344 N -3.53 0.08 0.14 5.97 4.77 -1.26 -2.13 117.00 121.03 1xl1 n LEU 344 Ca -0.02 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.55 1xl1 n LEU 344 Cb 0.12 -0.53 0.55 0.00 -2.33 0.00 0.00 43.42 41.23 1xl1 n LEU 344 CO 0.24 -0.43 1.12 0.00 -1.33 0.00 0.00 177.39 176.99 1xl1 h ALA 345 N 2.23 1.89 0.45 -1.18 0.00 -1.69 0.62 119.26 121.58 1xl1 h ALA 345 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xl1 h ALA 345 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xl1 h ALA 345 CO 0.00 0.10 -0.22 0.82 0.00 0.00 0.00 179.25 179.95 1xl1 h ILE 346 N 0.25 0.47 0.00 0.00 2.04 -1.68 0.22 117.51 118.80 1xl1 h ILE 346 Ca 0.08 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1xl1 h ILE 346 Cb 0.01 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1xl1 h ILE 346 CO -0.02 0.07 -0.34 1.55 0.00 0.00 0.00 178.15 179.41 1xl1 h PRO 347 N -0.89 0.00 -0.39 2.37 0.13 -1.72 -2.23 132.00 129.28 1xl1 h PRO 347 Ca -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 1xl1 h PRO 347 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1xl1 h PRO 347 CO 0.10 0.34 -0.28 1.49 -0.23 0.00 0.00 178.00 179.42 1xl1 h GLU 348 N 0.00 0.87 -0.61 0.86 4.57 -0.85 0.14 114.58 119.56 1xl1 h GLU 348 Ca -0.00 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 1xl1 h GLU 348 Cb 0.90 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1xl1 h GLU 348 CO 0.04 1.07 0.19 1.25 -1.18 0.00 0.00 179.01 180.39 1xl1 h LEU 349 N 0.68 0.89 -0.53 1.64 5.85 -0.80 -1.18 115.31 121.85 1xl1 h LEU 349 Ca 0.07 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1xl1 h LEU 349 Cb 0.86 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1xl1 h LEU 349 CO 0.08 0.86 0.26 0.24 -0.34 0.00 0.00 178.44 179.53 1xl1 h MET 350 N 0.87 0.76 -0.22 1.25 2.86 -1.20 -1.29 114.93 117.95 1xl1 h MET 350 Ca 0.20 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1xl1 h MET 350 Cb 0.29 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1xl1 h MET 350 CO -0.01 0.62 0.04 -0.09 1.06 0.00 0.00 176.91 178.53 1xl1 h ARG 351 N 0.71 0.12 -0.02 1.72 2.43 -0.29 0.13 114.38 119.17 1xl1 h ARG 351 Ca 0.18 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1xl1 h ARG 351 Cb 0.11 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1xl1 h ARG 351 CO -0.02 0.08 0.01 0.28 -1.51 0.00 0.00 179.97 178.80 1xl1 h VAL 352 N 0.12 1.10 -0.66 0.20 2.07 -1.07 0.19 116.25 118.20 1xl1 h VAL 352 Ca 0.10 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1xl1 h VAL 352 Cb 0.11 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1xl1 h VAL 352 CO -0.14 0.08 0.27 -0.07 0.02 0.00 0.00 177.57 177.73 1xl1 h LEU 353 N -0.10 0.91 0.00 2.57 3.38 -1.04 0.52 115.31 121.55 1xl1 h LEU 353 Ca 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1xl1 h LEU 353 Cb 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xl1 h LEU 353 CO -0.00 0.83 -0.04 0.58 0.09 0.00 0.00 178.44 179.91 1xl1 h VAL 354 N 0.94 0.11 -0.43 1.22 2.07 -0.72 0.41 116.25 119.84 1xl1 h VAL 354 Ca 0.22 -1.08 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 1xl1 h VAL 354 Cb 0.20 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1xl1 h VAL 354 CO -0.02 0.04 -0.30 0.44 0.02 0.00 0.00 177.57 177.75 1xl1 h ASP 355 N -1.00 1.02 0.03 0.57 3.45 -0.75 -2.69 116.42 117.05 1xl1 h ASP 355 Ca -0.00 -0.43 -0.39 0.00 0.43 0.00 0.00 57.03 56.64 1xl1 h ASP 355 Cb 0.09 -0.28 -0.06 0.00 -0.56 0.00 0.00 39.33 38.52 1xl1 h ASP 355 CO -0.00 1.23 -2.32 0.18 -1.57 0.00 0.00 179.24 176.76 1xl1 n LEU 356 N -4.09 2.68 0.05 1.55 4.77 -0.34 -4.47 117.00 117.15 1xl1 n LEU 356 Ca -0.01 0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1xl1 n LEU 356 Cb 0.50 -0.94 0.19 0.00 -2.33 0.00 0.00 43.42 40.84 1xl1 n LEU 356 CO 0.48 0.82 0.37 -0.62 -1.33 0.00 0.00 177.39 177.11 1xl1 n GLU 357 N -3.54 0.23 -2.20 3.23 -0.58 0.03 -4.97 120.64 112.83 1xl1 n GLU 357 Ca -0.44 0.06 -0.11 0.00 -0.42 0.00 0.00 57.16 56.25 1xl1 n GLU 357 Cb 0.97 -1.64 -0.01 0.00 -0.57 0.00 0.00 31.44 30.19 1xl1 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xl1 n ARG 358 N -1.97 -0.90 -2.53 3.49 5.12 -0.68 -4.97 116.66 114.23 1xl1 n ARG 358 Ca 0.04 0.56 -0.32 0.00 -1.93 0.00 0.00 57.85 56.19 1xl1 n ARG 358 Cb 0.42 -4.68 -0.05 0.00 -1.16 0.00 0.00 32.46 26.99 1xl1 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xl1 s LEU 359 N -3.24 3.72 0.63 0.55 1.02 0.05 -4.98 118.68 116.43 1xl1 s LEU 359 Ca 0.00 1.62 -0.16 0.00 0.02 0.00 0.00 54.13 55.61 1xl1 s LEU 359 Cb 0.00 -4.52 -0.02 0.00 0.02 0.00 0.00 46.19 41.67 1xl1 s LEU 359 CO 0.00 -0.53 1.10 1.51 0.02 0.00 0.00 176.35 178.45 1xl1 s ASP 360 N -2.77 5.37 0.12 2.29 -4.77 -1.26 -4.40 116.67 111.25 1xl1 s ASP 360 Ca 0.60 1.96 -0.32 0.00 -3.30 0.00 0.00 52.55 51.48 1xl1 s ASP 360 Cb -0.10 -2.55 -0.11 0.00 -1.09 0.00 0.00 42.92 39.08 1xl1 s ASP 360 CO 0.25 -1.45 1.56 -0.25 0.70 0.00 0.00 175.17 175.99 1xl1 h TRP 361 N 0.26 -1.46 -1.00 2.11 2.91 -1.97 -1.35 115.95 115.44 1xl1 h TRP 361 Ca -0.47 0.05 0.18 0.00 1.13 0.00 0.00 58.89 59.78 1xl1 h TRP 361 Cb 1.24 0.65 -0.10 0.00 -0.51 0.00 0.00 29.16 30.44 1xl1 h TRP 361 CO 0.55 -0.54 0.62 -0.44 -1.03 0.00 0.00 178.44 177.60 1xl1 h ASP 362 N -0.59 0.79 -0.24 2.65 3.45 -1.99 0.15 116.42 120.64 1xl1 h ASP 362 Ca 0.04 0.09 -0.16 0.00 0.43 0.00 0.00 57.03 57.42 1xl1 h ASP 362 Cb 0.68 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1xl1 h ASP 362 CO -0.39 0.30 -0.49 0.50 -1.57 0.00 0.00 179.24 177.59 1xl1 h LYS 363 N 0.78 0.76 -0.46 3.56 1.63 -1.85 -2.16 116.57 118.83 1xl1 h LYS 363 Ca 0.56 -0.49 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1xl1 h LYS 363 Cb 0.85 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 1xl1 h LYS 363 CO -0.36 1.12 0.27 0.00 -3.45 0.00 0.00 179.45 177.03 1xl1 h ALA 364 N 0.63 0.59 -0.81 5.00 0.00 -0.10 -2.05 119.26 122.53 1xl1 h ALA 364 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xl1 h ALA 364 Cb 1.10 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1xl1 h ALA 364 CO 0.11 0.09 0.45 2.35 0.00 0.00 0.00 179.25 182.25 1xl1 h TRP 365 N 0.61 1.10 -0.40 0.00 2.91 -0.72 -0.22 115.95 119.23 1xl1 h TRP 365 Ca 0.16 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 1xl1 h TRP 365 Cb 0.02 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.30 1xl1 h TRP 365 CO -0.03 0.76 0.24 1.49 -1.03 0.00 0.00 178.44 179.87 1xl1 h GLU 366 N 1.12 0.55 -0.39 2.65 4.81 -1.09 -0.78 114.58 121.44 1xl1 h GLU 366 Ca 0.29 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1xl1 h GLU 366 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1xl1 h GLU 366 CO -0.05 0.41 0.17 0.28 -0.73 0.00 0.00 179.01 179.10 1xl1 h VAL 367 N 0.53 1.18 -0.01 0.32 2.07 -1.01 -2.32 116.25 117.01 1xl1 h VAL 367 Ca 0.14 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1xl1 h VAL 367 Cb 0.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1xl1 h VAL 367 CO -0.03 0.20 -0.02 0.74 0.02 0.00 0.00 177.57 178.48 1xl1 h THR 368 N 0.49 0.94 -0.53 2.57 2.02 -0.70 -1.67 112.91 116.03 1xl1 h THR 368 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1xl1 h THR 368 Cb 0.16 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1xl1 h THR 368 CO -0.01 0.00 0.33 0.58 0.37 0.00 0.00 175.52 176.79 1xl1 h VAL 369 N -0.04 1.15 0.00 3.16 2.07 -1.12 -0.79 116.25 120.69 1xl1 h VAL 369 Ca 0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xl1 h VAL 369 Cb 0.05 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1xl1 h VAL 369 CO -0.03 0.15 0.00 0.11 0.02 0.00 0.00 177.57 177.82 1xl1 h LYS 370 N 0.71 0.00 0.09 1.57 1.57 -1.27 -2.20 116.57 117.04 1xl1 h LYS 370 Ca 0.19 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.61 1xl1 h LYS 370 Cb -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1xl1 h LYS 370 CO -0.04 0.00 -2.06 2.41 -0.57 0.00 0.00 179.45 179.19 1xl1 n THR 371 N -2.56 1.71 -3.48 -0.16 -1.04 -0.64 -4.88 114.28 103.23 1xl1 n THR 371 Ca 0.01 -0.66 -0.38 0.00 -2.04 0.00 0.00 64.05 60.98 1xl1 n THR 371 Cb 0.25 -1.57 -0.06 0.00 -1.82 0.00 0.00 70.33 67.13 1xl1 n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xl1 s ALA 373 N -1.09 0.63 -0.07 0.00 0.00 -0.57 -1.41 121.76 119.25 1xl1 s ALA 373 Ca 0.25 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1xl1 s ALA 373 Cb -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1xl1 s ALA 373 CO 0.14 0.15 -0.24 -0.47 0.00 0.00 0.00 175.76 175.34 1xl1 s TYR 374 N -0.24 2.49 -0.19 0.00 6.14 0.32 -0.91 117.35 124.96 1xl1 s TYR 374 Ca 0.02 -0.74 -0.01 0.00 0.64 0.00 0.00 57.07 56.98 1xl1 s TYR 374 Cb -0.03 -1.63 0.01 0.00 0.42 0.00 0.00 41.96 40.72 1xl1 s TYR 374 CO -0.00 -0.23 -0.13 0.99 0.64 0.00 0.00 175.55 176.82 1xl1 s THR 375 N -0.08 2.67 0.04 4.34 2.01 -0.99 -1.41 115.64 122.21 1xl1 s THR 375 Ca -0.06 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.06 1xl1 s THR 375 Cb -0.14 -2.17 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 1xl1 s THR 375 CO 0.04 0.49 0.45 0.21 -0.69 0.00 0.00 174.62 175.12 1xl1 s ASN 376 N 1.28 6.83 0.00 3.53 3.84 -0.52 -1.27 114.94 128.63 1xl1 s ASN 376 Ca 0.04 1.00 0.00 0.00 0.21 0.00 0.00 52.86 54.11 1xl1 s ASN 376 Cb -0.14 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 1xl1 s ASN 376 CO -0.07 0.28 0.60 1.41 -2.79 0.00 0.00 177.10 176.52 1xl1 n HIS 377 N 1.58 0.00 -3.53 0.43 8.25 -1.26 -4.08 115.22 116.62 1xl1 n HIS 377 Ca -0.12 -0.12 -0.12 0.00 -0.26 0.00 0.00 57.72 57.11 1xl1 n HIS 377 Cb 0.52 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 1xl1 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1xl1 s THR 378 N -0.23 0.00 -0.47 1.59 -1.32 -1.26 -4.47 115.64 109.47 1xl1 s THR 378 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1xl1 s THR 378 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1xl1 s THR 378 CO 0.00 0.00 0.54 1.33 -2.21 0.00 0.00 174.62 174.28 1xl1 n VAL 379 N 0.37 0.00 -1.80 5.08 0.24 -1.26 -4.96 118.33 116.00 1xl1 n VAL 379 Ca -0.12 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 1xl1 n VAL 379 Cb 0.60 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 1xl1 n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xl1 s LEU 380 N -0.77 4.39 0.31 1.34 1.43 -1.26 -4.88 118.68 119.24 1xl1 s LEU 380 Ca 0.04 2.58 0.04 0.00 -1.03 0.00 0.00 54.13 55.76 1xl1 s LEU 380 Cb 0.04 -3.55 0.64 0.00 0.03 0.00 0.00 46.19 43.35 1xl1 s LEU 380 CO 0.08 -0.98 1.85 1.55 0.23 0.00 0.00 176.35 179.08 1xl1 h PRO 381 N 9.38 0.87 0.00 1.29 0.13 -1.97 -1.18 132.00 140.51 1xl1 h PRO 381 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xl1 h PRO 381 Cb 1.21 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1xl1 h PRO 381 CO 0.94 0.58 0.00 -0.85 -0.23 0.00 0.00 178.00 178.44 1xl1 n GLU 382 N -4.60 0.02 0.01 0.86 0.00 -1.26 -2.77 120.64 112.90 1xl1 n GLU 382 Ca 0.18 0.24 0.11 0.00 0.00 0.00 0.00 57.16 57.69 1xl1 n GLU 382 Cb 0.39 -1.54 -0.07 0.00 0.00 0.00 0.00 31.44 30.22 1xl1 n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xl1 n ALA 383 N -1.53 3.60 -2.00 -1.84 0.00 -0.45 -0.42 120.51 117.87 1xl1 n ALA 383 Ca 0.04 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 1xl1 n ALA 383 Cb 0.20 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 1xl1 n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xl1 s LEU 384 N -3.86 4.50 -0.16 0.00 1.43 -1.12 -4.27 118.68 115.20 1xl1 s LEU 384 Ca 0.02 2.15 -0.28 0.00 -1.03 0.00 0.00 54.13 54.99 1xl1 s LEU 384 Cb 0.15 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1xl1 s LEU 384 CO 0.85 -0.23 0.95 -1.61 0.23 0.00 0.00 176.35 176.54 1xl1 s GLU 385 N -0.57 4.34 -0.31 1.70 2.02 -1.26 -4.78 118.70 119.82 1xl1 s GLU 385 Ca 0.49 1.24 -0.02 0.00 0.02 0.00 0.00 54.97 56.70 1xl1 s GLU 385 Cb -0.30 -3.58 0.11 0.00 0.10 0.00 0.00 34.13 30.46 1xl1 s GLU 385 CO 0.36 -0.40 0.15 1.03 0.02 0.00 0.00 175.26 176.42 1xl1 s ARG 386 N 2.36 0.41 -0.04 1.61 0.52 -1.26 -2.10 118.95 120.46 1xl1 s ARG 386 Ca 0.44 -0.88 -0.24 0.00 -0.52 0.00 0.00 55.73 54.53 1xl1 s ARG 386 Cb -0.17 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.87 1xl1 s ARG 386 CO 0.13 -1.07 0.72 -1.58 0.02 0.00 0.00 175.30 173.52 1xl1 s TRP 387 N 1.70 3.62 0.26 -0.53 0.52 -0.84 -4.73 118.94 118.93 1xl1 s TRP 387 Ca 0.12 1.31 -0.31 0.00 0.02 0.00 0.00 56.10 57.24 1xl1 s TRP 387 Cb -0.18 -2.81 -0.13 0.00 -1.15 0.00 0.00 33.47 29.20 1xl1 s TRP 387 CO -0.24 0.13 1.51 -2.30 0.02 0.00 0.00 176.95 176.07 1xl1 n PRO 388 N 3.54 2.36 -0.14 4.98 -0.02 -1.26 -0.34 135.00 144.12 1xl1 n PRO 388 Ca -0.01 0.84 0.01 0.00 -2.02 0.00 0.00 63.50 62.31 1xl1 n PRO 388 Cb 0.51 -2.57 0.28 0.00 -0.02 0.00 0.00 33.50 31.71 1xl1 n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xl1 h VAL 389 N 3.23 1.18 0.00 -1.45 2.07 -1.13 -2.13 116.25 118.03 1xl1 h VAL 389 Ca -0.46 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1xl1 h VAL 389 Cb 1.25 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1xl1 h VAL 389 CO 0.79 0.19 -0.08 1.12 0.02 0.00 0.00 177.57 179.60 1xl1 h HIS 390 N 0.84 0.00 -0.00 1.57 2.07 -1.90 0.16 115.15 117.89 1xl1 h HIS 390 Ca 0.22 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1xl1 h HIS 390 Cb -0.01 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.97 1xl1 h HIS 390 CO 0.00 0.08 -0.01 -0.07 -3.07 0.00 0.00 177.93 174.87 1xl1 h LEU 391 N 0.00 0.01 -0.96 6.12 3.38 -1.75 -2.71 115.31 119.40 1xl1 h LEU 391 Ca -0.00 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 1xl1 h LEU 391 Cb 0.16 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1xl1 h LEU 391 CO 0.01 0.54 0.18 -0.07 0.09 0.00 0.00 178.44 179.19 1xl1 h LEU 392 N -0.52 0.87 -0.71 1.67 3.38 -1.37 -0.94 115.31 117.69 1xl1 h LEU 392 Ca 0.00 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1xl1 h LEU 392 Cb 0.54 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1xl1 h LEU 392 CO 0.00 0.83 0.38 -0.08 0.09 0.00 0.00 178.44 179.66 1xl1 h GLU 393 N 0.91 0.65 0.18 1.13 4.81 -0.67 0.36 114.58 121.96 1xl1 h GLU 393 Ca 0.20 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 59.10 1xl1 h GLU 393 Cb 0.28 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.53 1xl1 h GLU 393 CO -0.01 0.43 -1.37 1.15 -0.73 0.00 0.00 179.01 178.49 1xl1 h THR 394 N 0.67 1.21 0.21 0.32 2.02 -1.23 -3.29 112.91 112.82 1xl1 h THR 394 Ca 0.34 -2.56 -0.31 0.00 0.77 0.00 0.00 66.41 64.65 1xl1 h THR 394 Cb 0.29 2.96 0.03 0.00 -1.74 0.00 0.00 68.15 69.68 1xl1 h THR 394 CO -0.23 0.78 -1.42 0.25 0.37 0.00 0.00 175.52 175.27 1xl1 h LEU 395 N -0.08 0.69 -5.99 2.58 5.85 -1.08 -3.37 115.31 113.91 1xl1 h LEU 395 Ca -0.26 -0.93 -0.55 0.00 0.84 0.00 0.00 57.88 56.98 1xl1 h LEU 395 Cb 1.94 -0.22 -0.40 0.00 0.37 0.00 0.00 40.66 42.35 1xl1 h LEU 395 CO 0.18 1.67 -1.01 0.18 -0.34 0.00 0.00 178.44 179.12 1xl1 n LEU 396 N -3.78 1.21 -0.26 2.25 4.77 0.13 -0.45 117.00 120.86 1xl1 n LEU 396 Ca -0.19 -4.95 0.05 0.00 -0.03 0.00 0.00 56.01 50.89 1xl1 n LEU 396 Cb 1.03 0.35 0.19 0.00 -2.33 0.00 0.00 43.42 42.66 1xl1 n LEU 396 CO 0.55 2.13 1.02 1.55 -1.33 0.00 0.00 177.39 181.31 1xl1 h PRO 397 N 3.76 0.44 -0.50 3.23 0.13 -1.60 -2.03 132.00 135.44 1xl1 h PRO 397 Ca 0.10 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1xl1 h PRO 397 Cb 0.84 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1xl1 h PRO 397 CO 0.56 0.29 -0.16 -0.09 -0.23 0.00 0.00 178.00 178.37 1xl1 h ARG 398 N 0.46 0.97 -0.23 0.86 9.65 -1.91 -2.83 114.38 121.35 1xl1 h ARG 398 Ca 0.42 -0.38 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1xl1 h ARG 398 Cb 0.63 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1xl1 h ARG 398 CO -0.40 1.05 -0.08 0.45 2.80 0.00 0.00 179.97 183.79 1xl1 h HIS 399 N 0.85 0.37 -0.41 2.20 3.86 -1.76 -1.59 115.15 118.68 1xl1 h HIS 399 Ca 0.12 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.21 1xl1 h HIS 399 Cb 0.72 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1xl1 h HIS 399 CO 0.05 0.44 -0.08 1.25 0.86 0.00 0.00 177.93 180.45 1xl1 h LEU 400 N 0.34 0.78 -0.71 2.43 6.46 -1.22 -0.23 115.31 123.16 1xl1 h LEU 400 Ca 0.07 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1xl1 h LEU 400 Cb 0.36 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1xl1 h LEU 400 CO 0.02 0.95 0.35 1.56 -0.62 0.00 0.00 178.44 180.70 1xl1 h GLN 401 N 0.59 1.02 -0.67 1.25 4.20 -1.21 -0.76 115.11 119.53 1xl1 h GLN 401 Ca 0.11 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1xl1 h GLN 401 Cb 0.60 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1xl1 h GLN 401 CO 0.04 0.79 0.12 0.82 -0.67 0.00 0.00 178.83 179.93 1xl1 h ILE 402 N 0.99 1.26 -0.64 2.54 2.04 -1.10 -1.70 117.51 120.90 1xl1 h ILE 402 Ca 0.25 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1xl1 h ILE 402 Cb 0.10 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1xl1 h ILE 402 CO -0.03 0.39 0.17 0.40 0.00 0.00 0.00 178.15 179.07 1xl1 h ILE 403 N 1.04 1.25 -0.48 -0.67 2.04 -0.50 0.25 117.51 120.42 1xl1 h ILE 403 Ca 0.21 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1xl1 h ILE 403 Cb 0.43 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1xl1 h ILE 403 CO 0.01 0.34 0.09 1.88 0.00 0.00 0.00 178.15 180.47 1xl1 h TYR 404 N 0.95 0.84 -0.70 1.37 0.05 -0.82 -0.25 116.97 118.41 1xl1 h TYR 404 Ca 0.20 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1xl1 h TYR 404 Cb 0.32 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1xl1 h TYR 404 CO 0.02 0.76 0.26 1.49 -1.05 0.00 0.00 178.16 179.65 1xl1 h GLU 405 N 0.67 1.05 -0.49 4.88 4.57 -0.99 0.30 114.58 124.58 1xl1 h GLU 405 Ca 0.15 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1xl1 h GLU 405 Cb 0.37 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1xl1 h GLU 405 CO 0.01 0.88 0.21 0.82 -1.18 0.00 0.00 179.01 179.75 1xl1 h ILE 406 N 1.00 1.20 -0.39 2.32 2.04 -0.67 -1.93 117.51 121.08 1xl1 h ILE 406 Ca 0.23 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1xl1 h ILE 406 Cb 0.23 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1xl1 h ILE 406 CO -0.02 0.23 0.19 -1.13 0.00 0.00 0.00 178.15 177.43 1xl1 h ASN 407 N 0.65 0.51 -0.11 1.72 -1.24 -0.64 -0.17 115.58 116.30 1xl1 h ASN 407 Ca 0.16 -0.12 0.04 0.00 0.71 0.00 0.00 56.30 57.09 1xl1 h ASN 407 Cb 0.16 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1xl1 h ASN 407 CO -0.02 0.49 -0.12 -0.61 -1.29 0.00 0.00 177.43 175.88 1xl1 h GLN 408 N 0.50 -0.15 -0.15 6.67 4.15 -0.74 0.10 115.11 125.49 1xl1 h GLN 408 Ca 0.14 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 1xl1 h GLN 408 Cb 0.11 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1xl1 h GLN 408 CO -0.02 -0.10 -0.37 0.00 -1.93 0.00 0.00 178.83 176.42 1xl1 h ARG 409 N -0.15 0.32 -0.19 1.69 3.08 -1.23 -2.11 114.38 115.80 1xl1 h ARG 409 Ca 0.08 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1xl1 h ARG 409 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1xl1 h ARG 409 CO -0.21 0.65 -0.07 0.35 -1.07 0.00 0.00 179.97 179.62 1xl1 h PHE 410 N 0.27 0.42 0.00 3.04 3.57 -0.48 -2.82 116.94 120.96 1xl1 h PHE 410 Ca 0.03 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1xl1 h PHE 410 Cb 0.77 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1xl1 h PHE 410 CO 0.02 0.65 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.40 1xl1 h LEU 411 N 0.07 0.00 -0.97 0.59 3.38 -0.71 -1.23 115.31 116.44 1xl1 h LEU 411 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1xl1 h LEU 411 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1xl1 h LEU 411 CO 0.02 0.28 -0.04 0.78 0.09 0.00 0.00 178.44 179.57 1xl1 h ASN 412 N 0.00 0.67 -0.44 -0.43 -0.26 -1.29 0.21 115.58 114.04 1xl1 h ASN 412 Ca -0.00 -0.17 -0.10 0.00 -0.56 0.00 0.00 56.30 55.47 1xl1 h ASN 412 Cb 0.51 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1xl1 h ASN 412 CO 0.04 0.77 -0.10 0.03 -1.06 0.00 0.00 177.43 177.10 1xl1 h ARG 413 N 0.65 0.84 -0.26 0.81 3.08 -1.02 -1.81 114.38 116.67 1xl1 h ARG 413 Ca 0.12 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1xl1 h ARG 413 Cb 0.47 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1xl1 h ARG 413 CO 0.02 0.95 0.05 0.28 -1.07 0.00 0.00 179.97 180.20 1xl1 h VAL 414 N 0.67 1.23 -0.64 2.04 2.07 -0.75 -2.04 116.25 118.83 1xl1 h VAL 414 Ca 0.11 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1xl1 h VAL 414 Cb 0.64 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1xl1 h VAL 414 CO 0.04 0.24 0.42 0.00 0.02 0.00 0.00 177.57 178.30 1xl1 h ALA 415 N 0.87 1.70 0.00 1.67 0.00 -0.52 0.84 119.26 123.82 1xl1 h ALA 415 Ca 0.08 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1xl1 h ALA 415 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xl1 h ALA 415 CO 0.00 0.22 -0.70 0.00 0.00 0.00 0.00 179.25 178.77 1xl1 h ALA 416 N 1.64 0.83 0.00 0.00 0.00 -1.06 -2.61 119.26 118.06 1xl1 h ALA 416 Ca 0.26 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 1xl1 h ALA 416 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xl1 h ALA 416 CO -0.08 0.87 -1.23 0.00 0.00 0.00 0.00 179.25 178.81 1xl1 h ALA 417 N 1.30 0.60 -2.10 0.00 0.00 -0.59 -3.39 119.26 115.09 1xl1 h ALA 417 Ca -0.01 -1.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.33 1xl1 h ALA 417 Cb 1.25 0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.80 1xl1 h ALA 417 CO 0.09 1.19 -0.93 1.19 0.00 0.00 0.00 179.25 180.78 1xl1 n PHE 418 N -3.13 0.90 -1.65 0.00 3.72 0.20 -5.10 117.46 112.41 1xl1 n PHE 418 Ca -0.07 -3.75 -0.48 0.00 -0.05 0.00 0.00 57.45 53.11 1xl1 n PHE 418 Cb 0.92 -0.39 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 1xl1 n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xl1 n PRO 419 N 1.32 1.86 -0.07 -1.08 -0.02 -0.98 -1.99 135.00 134.04 1xl1 n PRO 419 Ca 0.24 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1xl1 n PRO 419 Cb 0.49 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1xl1 n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xl1 n GLY 420 N 3.12 2.83 3.41 -1.23 0.00 -1.26 -4.93 105.19 107.13 1xl1 n GLY 420 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1xl1 n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xl1 n ASP 421 N 0.00 4.89 0.21 1.61 4.64 -0.84 -4.78 116.55 122.27 1xl1 n ASP 421 Ca 0.00 -2.93 0.05 0.00 -1.38 0.00 0.00 54.79 50.52 1xl1 n ASP 421 Cb 0.00 -1.68 0.46 0.00 -1.04 0.00 0.00 41.12 38.86 1xl1 n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1xl1 h VAL 422 N 5.06 1.14 -0.19 5.18 -1.51 -1.92 -2.90 116.25 121.11 1xl1 h VAL 422 Ca 0.43 -0.87 -0.16 0.00 -1.23 0.00 0.00 66.70 64.87 1xl1 h VAL 422 Cb 0.83 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1xl1 h VAL 422 CO 1.47 0.25 -0.55 -0.78 -1.23 0.00 0.00 177.57 176.73 1xl1 h ASP 423 N 0.00 0.64 -0.73 4.19 3.58 -1.99 -2.79 116.42 119.31 1xl1 h ASP 423 Ca -0.00 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1xl1 h ASP 423 Cb 0.46 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1xl1 h ASP 423 CO 0.03 1.05 0.47 -0.09 -2.88 0.00 0.00 179.24 177.82 1xl1 h ARG 424 N 0.44 0.97 -0.33 0.28 2.43 -1.92 0.45 114.38 116.70 1xl1 h ARG 424 Ca 0.01 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1xl1 h ARG 424 Cb 1.09 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.37 1xl1 h ARG 424 CO 0.10 0.66 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.13 1xl1 h LEU 425 N 0.99 -0.19 -0.80 3.80 3.38 -1.39 0.19 115.31 121.29 1xl1 h LEU 425 Ca 0.27 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 1xl1 h LEU 425 Cb -0.08 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xl1 h LEU 425 CO -0.05 -0.06 -0.56 0.08 0.09 0.00 0.00 178.44 177.94 1xl1 h ARG 426 N 0.06 0.10 -0.12 1.13 -0.00 -1.18 -1.49 114.38 112.89 1xl1 h ARG 426 Ca 0.16 -0.07 -0.16 0.00 -0.00 0.00 0.00 59.98 59.91 1xl1 h ARG 426 Cb 0.23 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.20 1xl1 h ARG 426 CO -0.29 0.64 -0.61 0.00 -0.00 0.00 0.00 179.97 179.70 1xl1 h ARG 427 N 0.08 0.42 0.00 0.08 3.08 -0.19 -3.24 114.38 114.61 1xl1 h ARG 427 Ca -0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1xl1 h ARG 427 Cb 1.02 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xl1 h ARG 427 CO 0.08 0.90 -0.70 0.52 -1.07 0.00 0.00 179.97 179.70 1xl1 h MET 428 N 0.31 0.00 -6.53 0.04 2.86 -0.55 -3.48 114.93 107.58 1xl1 h MET 428 Ca -0.01 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 1xl1 h MET 428 Cb 1.15 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.94 1xl1 h MET 428 CO 0.11 0.00 0.05 0.45 1.06 0.00 0.00 176.91 178.58 1xl1 n SER 429 N -2.18 0.90 0.21 1.22 2.88 -0.57 -4.85 113.62 111.23 1xl1 n SER 429 Ca 0.03 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.77 1xl1 n SER 429 Cb 0.45 -1.29 0.33 0.00 -0.75 0.00 0.00 64.21 62.96 1xl1 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1xl1 h LEU 430 N 1.57 0.00 -8.87 2.46 3.38 -1.91 -3.42 115.31 108.51 1xl1 h LEU 430 Ca -0.42 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.91 1xl1 h LEU 430 Cb 1.35 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.92 1xl1 h LEU 430 CO 0.57 0.00 -0.55 -0.69 0.09 0.00 0.00 178.44 177.87 1xl1 s VAL 431 N -3.30 5.04 -0.19 1.22 1.01 -1.26 0.40 120.40 123.32 1xl1 s VAL 431 Ca 0.06 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 1xl1 s VAL 431 Cb 0.07 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1xl1 s VAL 431 CO 0.62 0.30 0.19 -1.61 0.00 0.00 0.00 175.10 174.60 1xl1 s GLU 432 N 1.54 4.21 0.50 2.72 2.02 0.57 -4.97 118.70 125.30 1xl1 s GLU 432 Ca 0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 1xl1 s GLU 432 Cb -0.15 -3.43 0.01 0.00 0.10 0.00 0.00 34.13 30.66 1xl1 s GLU 432 CO 0.08 0.27 0.74 -2.00 0.02 0.00 0.00 175.26 174.36 1xl1 s GLU 433 N 0.43 2.92 0.00 1.61 2.56 -1.26 -1.91 118.70 123.05 1xl1 s GLU 433 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 54.97 54.63 1xl1 s GLU 433 Cb -0.12 -2.48 0.00 0.00 2.00 0.00 0.00 34.13 33.53 1xl1 s GLU 433 CO 0.00 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 174.65 1xl1 n GLY 434 N -2.24 0.68 0.12 -1.50 0.00 -1.26 -4.91 105.19 96.08 1xl1 n GLY 434 Ca 0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 1xl1 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl1 h ALA 435 N 0.00 -0.22 -4.34 4.61 0.00 -2.06 -3.39 119.26 113.86 1xl1 h ALA 435 Ca 0.00 0.03 -0.64 0.00 0.00 0.00 0.00 54.91 54.30 1xl1 h ALA 435 Cb 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.53 1xl1 h ALA 435 CO 0.00 -0.33 -0.87 0.14 0.00 0.00 0.00 179.25 178.19 1xl1 s VAL 436 N -3.73 1.77 0.28 0.00 -7.23 -1.26 -5.11 120.40 105.13 1xl1 s VAL 436 Ca -0.04 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 1xl1 s VAL 436 Cb 0.03 -1.48 -0.10 0.00 0.56 0.00 0.00 36.38 35.39 1xl1 s VAL 436 CO 0.18 0.50 1.22 -0.54 -0.31 0.00 0.00 175.10 176.15 1xl1 s LYS 437 N -0.40 4.48 0.13 4.82 1.02 -1.26 -4.83 119.74 123.70 1xl1 s LYS 437 Ca 0.05 2.01 0.04 0.00 0.02 0.00 0.00 55.97 58.09 1xl1 s LYS 437 Cb -0.10 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1xl1 s LYS 437 CO 0.00 -0.05 -0.10 1.03 -0.92 0.00 0.00 175.35 175.31 1xl1 s ARG 438 N -1.24 1.01 -0.19 1.68 0.52 -0.80 -0.51 118.95 119.41 1xl1 s ARG 438 Ca 0.49 -1.37 -0.07 0.00 -0.52 0.00 0.00 55.73 54.26 1xl1 s ARG 438 Cb -0.36 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 1xl1 s ARG 438 CO 0.45 0.08 0.05 0.42 0.02 0.00 0.00 175.30 176.31 1xl1 s ILE 439 N -3.08 4.51 -0.58 1.52 -1.09 0.53 -0.31 121.20 122.69 1xl1 s ILE 439 Ca 0.14 -0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 58.20 1xl1 s ILE 439 Cb 0.01 -3.04 0.05 0.00 -1.58 0.00 0.00 42.46 37.90 1xl1 s ILE 439 CO 0.00 0.43 0.92 0.21 -1.23 0.00 0.00 174.94 175.28 1xl1 s ASN 440 N 0.69 6.27 0.47 3.58 3.84 0.16 -1.99 114.94 127.96 1xl1 s ASN 440 Ca 0.02 -0.62 0.15 0.00 0.21 0.00 0.00 52.86 52.62 1xl1 s ASN 440 Cb -0.13 -2.42 1.08 0.00 -0.55 0.00 0.00 41.25 39.23 1xl1 s ASN 440 CO 0.02 -1.27 2.04 0.24 -2.79 0.00 0.00 177.10 175.34 1xl1 h MET 441 N 9.37 0.00 -0.54 0.43 2.86 -1.72 -2.13 114.93 123.20 1xl1 h MET 441 Ca -0.27 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 1xl1 h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1xl1 h MET 441 CO 1.11 0.13 -0.05 0.00 1.06 0.00 0.00 176.91 179.16 1xl1 h ALA 442 N 1.87 0.74 -0.63 6.32 0.00 -1.91 -0.66 119.26 124.99 1xl1 h ALA 442 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1xl1 h ALA 442 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xl1 h ALA 442 CO 0.02 0.60 0.09 0.45 0.00 0.00 0.00 179.25 180.41 1xl1 h HIS 443 N 0.86 1.10 -0.23 0.00 3.86 -1.78 -1.60 115.15 117.36 1xl1 h HIS 443 Ca 0.15 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1xl1 h HIS 443 Cb 0.60 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1xl1 h HIS 443 CO 0.04 0.93 0.11 1.25 0.86 0.00 0.00 177.93 181.13 1xl1 h LEU 444 N 0.97 0.17 -0.83 2.43 6.46 -1.09 -2.07 115.31 121.35 1xl1 h LEU 444 Ca 0.19 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1xl1 h LEU 444 Cb 0.43 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1xl1 h LEU 444 CO 0.01 0.13 0.50 0.00 -0.62 0.00 0.00 178.44 178.46 1xl1 h ILE 446 N 1.15 1.23 -0.88 0.00 2.04 -1.11 -2.15 117.51 117.79 1xl1 h ILE 446 Ca 0.30 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1xl1 h ILE 446 Cb -0.04 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1xl1 h ILE 446 CO -0.06 0.26 0.46 0.00 0.00 0.00 0.00 178.15 178.81 1xl1 h ALA 447 N 0.90 1.13 -0.53 1.87 0.00 -1.14 -3.06 119.26 118.42 1xl1 h ALA 447 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xl1 h ALA 447 Cb 0.32 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xl1 h ALA 447 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1xl1 n GLY 448 N -1.08 1.75 3.36 0.00 0.00 -0.61 -4.93 105.19 103.68 1xl1 n GLY 448 Ca 0.09 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 1xl1 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xl1 s SER 449 N -0.93 3.10 0.00 1.61 0.01 -0.82 -3.83 113.70 112.85 1xl1 s SER 449 Ca 0.38 -0.75 0.25 0.00 1.31 0.00 0.00 55.95 57.13 1xl1 s SER 449 Cb 0.21 -0.20 0.42 0.00 0.21 0.00 0.00 66.02 66.66 1xl1 s SER 449 CO 0.23 0.13 1.35 0.00 0.41 0.00 0.00 173.24 175.36 1xl1 n HIS 450 N 0.84 0.00 -3.77 2.43 1.44 -0.50 -4.86 115.22 110.80 1xl1 n HIS 450 Ca -0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.41 1xl1 n HIS 450 Cb 0.54 -0.20 -0.12 0.00 0.12 0.00 0.00 29.99 30.33 1xl1 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xl1 s ALA 451 N -2.94 -0.64 -0.06 1.59 0.00 -1.26 -4.54 121.76 113.91 1xl1 s ALA 451 Ca 0.12 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.89 1xl1 s ALA 451 Cb 0.17 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1xl1 s ALA 451 CO 0.70 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 176.34 1xl1 s VAL 452 N 0.35 0.75 0.07 0.00 1.01 -0.07 -0.52 120.40 121.99 1xl1 s VAL 452 Ca -0.02 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1xl1 s VAL 452 Cb -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1xl1 s VAL 452 CO -0.01 0.28 -0.08 0.54 0.00 0.00 0.00 175.10 175.82 1xl1 s ASN 453 N 0.91 1.11 0.58 3.32 4.22 -0.50 -0.42 114.94 124.17 1xl1 s ASN 453 Ca -0.11 -0.74 0.05 0.00 -2.14 0.00 0.00 52.86 49.92 1xl1 s ASN 453 Cb -0.15 0.04 0.08 0.00 1.28 0.00 0.00 41.25 42.50 1xl1 s ASN 453 CO 0.01 -0.29 0.81 -0.83 -2.04 0.00 0.00 177.10 174.76 1xl1 s GLY 454 N -2.20 1.79 -0.05 0.45 0.00 -0.91 -1.44 107.32 104.96 1xl1 s GLY 454 Ca 0.00 -1.84 0.12 0.00 0.00 0.00 0.00 44.72 43.00 1xl1 s GLY 454 CO -0.01 -1.42 1.29 3.33 0.00 0.00 0.00 173.10 176.29 1xl1 n VAL 455 N -2.35 1.35 -3.59 1.40 0.24 -1.26 -2.23 118.33 111.89 1xl1 n VAL 455 Ca 0.13 -1.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.07 1xl1 n VAL 455 Cb 0.61 0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 1xl1 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xl1 s ALA 456 N -1.50 -1.92 0.19 2.33 0.00 -1.26 -0.87 121.76 118.72 1xl1 s ALA 456 Ca 0.27 1.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 1xl1 s ALA 456 Cb 0.18 -0.84 0.16 0.00 0.00 0.00 0.00 23.12 22.62 1xl1 s ALA 456 CO 0.13 -0.30 1.62 -0.09 0.00 0.00 0.00 175.76 177.13 1xl1 h ARG 457 N 3.08 -0.08 -0.51 0.00 2.43 -1.90 0.02 114.38 117.42 1xl1 h ARG 457 Ca -0.22 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1xl1 h ARG 457 Cb 1.16 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1xl1 h ARG 457 CO 0.26 -0.05 0.15 0.97 -1.51 0.00 0.00 179.97 179.79 1xl1 h ILE 458 N -0.08 1.21 -0.18 1.20 2.10 -1.91 -1.87 117.51 117.98 1xl1 h ILE 458 Ca 0.25 -0.72 -0.03 0.00 1.08 0.00 0.00 64.86 65.43 1xl1 h ILE 458 Cb 0.47 0.66 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 1xl1 h ILE 458 CO -0.59 0.27 -0.02 -0.74 -1.08 0.00 0.00 178.15 175.99 1xl1 h HIS 459 N 0.75 0.37 -0.48 2.19 2.76 -1.46 -1.01 115.15 118.27 1xl1 h HIS 459 Ca 0.17 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1xl1 h HIS 459 Cb 0.24 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1xl1 h HIS 459 CO 0.01 0.57 0.21 0.77 -1.30 0.00 0.00 177.93 178.19 1xl1 h SER 460 N 0.07 0.61 -0.27 3.26 0.02 -0.84 -0.77 113.55 115.63 1xl1 h SER 460 Ca 0.05 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1xl1 h SER 460 Cb 0.43 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1xl1 h SER 460 CO 0.01 0.53 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.47 1xl1 h GLU 461 N 0.68 0.83 -0.42 3.45 4.39 -1.18 -2.65 114.58 119.67 1xl1 h GLU 461 Ca 0.17 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 1xl1 h GLU 461 Cb 0.10 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1xl1 h GLU 461 CO -0.02 1.10 0.10 0.82 -1.16 0.00 0.00 179.01 179.84 1xl1 h ILE 462 N 0.67 1.19 -0.56 3.13 2.04 -0.43 -0.97 117.51 122.57 1xl1 h ILE 462 Ca 0.04 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1xl1 h ILE 462 Cb 1.02 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1xl1 h ILE 462 CO 0.10 0.25 0.24 -0.07 0.00 0.00 0.00 178.15 178.67 1xl1 h LEU 463 N 0.61 0.76 -0.77 1.44 3.38 -0.93 0.80 115.31 120.61 1xl1 h LEU 463 Ca 0.14 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1xl1 h LEU 463 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xl1 h LEU 463 CO -0.00 0.71 -0.40 0.11 0.09 0.00 0.00 178.44 178.94 1xl1 h LYS 464 N 0.76 0.00 0.00 1.13 1.57 -1.08 -0.05 116.57 118.90 1xl1 h LYS 464 Ca 0.19 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1xl1 h LYS 464 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xl1 h LYS 464 CO -0.02 0.40 -1.42 1.63 -0.57 0.00 0.00 179.45 179.47 1xl1 n LYS 465 N -3.47 0.63 0.00 3.15 5.02 -0.42 -3.82 118.16 119.25 1xl1 n LYS 465 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1xl1 n LYS 465 Cb 0.55 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1xl1 n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xl1 n THR 466 N -2.67 0.00 -0.31 -0.18 -2.24 0.25 -4.75 114.28 104.38 1xl1 n THR 466 Ca -0.06 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1xl1 n THR 466 Cb 0.69 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 69.24 1xl1 n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xl1 h ILE 467 N 0.00 0.39 -0.20 2.28 1.08 -1.69 -2.25 117.51 117.13 1xl1 h ILE 467 Ca 0.00 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1xl1 h ILE 467 Cb 0.00 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.79 1xl1 h ILE 467 CO 0.00 0.06 -0.01 0.49 -0.69 0.00 0.00 178.15 178.00 1xl1 n PHE 468 N -5.11 0.70 -0.16 1.37 0.99 -0.04 -4.77 117.46 110.44 1xl1 n PHE 468 Ca 0.23 -0.96 -0.03 0.00 -0.00 0.00 0.00 57.45 56.69 1xl1 n PHE 468 Cb 0.71 -0.28 0.03 0.00 -1.00 0.00 0.00 39.48 38.94 1xl1 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1xl1 h LYS 469 N 1.28 -0.03 -0.92 -1.08 3.64 -1.33 0.28 116.57 118.40 1xl1 h LYS 469 Ca 0.01 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1xl1 h LYS 469 Cb 1.34 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.10 1xl1 h LYS 469 CO 0.17 -0.02 0.58 -0.44 -2.27 0.00 0.00 179.45 177.48 1xl1 h ASP 470 N -0.03 0.93 -0.21 4.20 3.32 -1.86 -1.25 116.42 121.52 1xl1 h ASP 470 Ca 0.24 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 1xl1 h ASP 470 Cb 0.39 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1xl1 h ASP 470 CO -0.52 0.60 -0.40 -0.26 -1.72 0.00 0.00 179.24 176.94 1xl1 h PHE 471 N 1.07 0.91 -0.58 4.55 0.04 -1.65 -2.56 116.94 118.71 1xl1 h PHE 471 Ca 0.39 -0.27 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 1xl1 h PHE 471 Cb 0.15 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1xl1 h PHE 471 CO -0.02 1.03 0.12 -0.92 -0.60 0.00 0.00 178.31 177.92 1xl1 h TYR 472 N 0.62 0.96 -0.06 -0.55 3.20 -0.46 -0.26 116.97 120.42 1xl1 h TYR 472 Ca 0.05 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 1xl1 h TYR 472 Cb 0.95 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1xl1 h TYR 472 CO 0.05 0.81 -0.41 0.93 -1.64 0.00 0.00 178.16 177.90 1xl1 h GLU 473 N 0.87 0.13 0.11 1.82 5.08 -1.06 -0.32 114.58 121.20 1xl1 h GLU 473 Ca 0.18 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.29 1xl1 h GLU 473 Cb 0.35 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 1xl1 h GLU 473 CO 0.00 0.52 -0.85 1.25 -1.00 0.00 0.00 179.01 178.92 1xl1 h LEU 474 N 0.11 0.57 -6.02 1.33 5.85 -1.06 -3.41 115.31 112.67 1xl1 h LEU 474 Ca 0.01 -0.88 -0.56 0.00 0.84 0.00 0.00 57.88 57.28 1xl1 h LEU 474 Cb 0.77 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 41.22 1xl1 h LEU 474 CO 0.06 1.39 -1.03 -0.62 -0.34 0.00 0.00 178.44 177.90 1xl1 n GLU 475 N -4.08 1.01 -0.13 1.25 1.02 -0.14 -4.97 120.64 114.60 1xl1 n GLU 475 Ca -0.13 -3.45 0.22 0.00 -0.02 0.00 0.00 57.16 53.78 1xl1 n GLU 475 Cb 0.82 -1.39 0.64 0.00 -0.02 0.00 0.00 31.44 31.49 1xl1 n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1xl1 h PRO 476 N 3.98 0.13 0.00 3.49 0.13 -1.26 -1.95 132.00 136.52 1xl1 h PRO 476 Ca 0.09 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1xl1 h PRO 476 Cb 0.85 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1xl1 h PRO 476 CO 0.52 0.08 -0.09 1.12 -0.23 0.00 0.00 178.00 179.40 1xl1 h HIS 477 N 0.13 0.00 -0.05 1.56 2.07 -1.93 -2.94 115.15 113.99 1xl1 h HIS 477 Ca 0.36 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.77 1xl1 h HIS 477 Cb 1.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.22 1xl1 h HIS 477 CO -0.00 0.09 -0.50 0.87 -3.07 0.00 0.00 177.93 175.32 1xl1 h LYS 478 N 0.00 0.13 -6.25 5.12 1.57 -1.59 -3.45 116.57 112.10 1xl1 h LYS 478 Ca -0.00 -0.08 -0.56 0.00 -1.87 0.00 0.00 60.65 58.15 1xl1 h LYS 478 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1xl1 h LYS 478 CO 0.01 0.61 0.61 -0.06 -0.57 0.00 0.00 179.45 180.05 1xl1 s PHE 479 N -3.92 3.45 0.31 -1.35 0.08 -1.11 -0.90 117.98 114.54 1xl1 s PHE 479 Ca -0.03 1.52 0.04 0.00 0.12 0.00 0.00 56.93 58.58 1xl1 s PHE 479 Cb 0.13 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 1xl1 s PHE 479 CO 0.77 -0.42 0.19 -0.65 -0.10 0.00 0.00 175.22 175.00 1xl1 s GLN 480 N 2.14 1.64 0.01 0.44 -0.21 0.44 -4.96 119.66 119.16 1xl1 s GLN 480 Ca 0.49 -1.95 0.05 0.00 0.02 0.00 0.00 55.36 53.97 1xl1 s GLN 480 Cb -0.19 0.00 -0.01 0.00 1.00 0.00 0.00 33.01 33.81 1xl1 s GLN 480 CO 0.18 -0.51 -0.14 1.21 -2.12 0.00 0.00 175.29 173.90 1xl1 s ASN 481 N -3.38 1.70 -0.38 5.90 3.84 -1.26 -2.14 114.94 119.22 1xl1 s ASN 481 Ca 0.36 -0.33 0.03 0.00 0.21 0.00 0.00 52.86 53.12 1xl1 s ASN 481 Cb 0.04 -0.16 0.16 0.00 -0.55 0.00 0.00 41.25 40.74 1xl1 s ASN 481 CO 0.20 0.13 0.35 -0.54 -2.79 0.00 0.00 177.10 174.44 1xl1 s LYS 482 N -0.63 0.68 0.22 0.43 -0.14 -0.95 -4.92 119.74 114.43 1xl1 s LYS 482 Ca 0.04 -1.18 -0.32 0.00 -1.36 0.00 0.00 55.97 53.15 1xl1 s LYS 482 Cb -0.06 -0.94 -0.12 0.00 -1.68 0.00 0.00 37.83 35.03 1xl1 s LYS 482 CO 0.00 -1.24 1.70 2.41 -0.76 0.00 0.00 175.35 177.46 1xl1 n THR 483 N 3.91 0.16 -0.58 2.17 -1.04 -1.26 -4.27 114.28 113.37 1xl1 n THR 483 Ca 0.15 -0.04 -0.30 0.00 -2.04 0.00 0.00 64.05 61.81 1xl1 n THR 483 Cb 0.44 -1.96 0.21 0.00 -1.82 0.00 0.00 70.33 67.20 1xl1 n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xl1 n ASN 484 N 3.66 -2.05 -3.26 8.00 5.03 -0.05 -4.64 115.26 121.96 1xl1 n ASN 484 Ca 0.15 -0.12 -0.09 0.00 0.87 0.00 0.00 54.58 55.38 1xl1 n ASN 484 Cb 0.35 -1.11 -0.00 0.00 -1.02 0.00 0.00 39.78 38.00 1xl1 n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1xl1 s GLY 485 N -2.11 0.45 0.07 7.41 0.00 -1.26 -4.81 107.32 107.07 1xl1 s GLY 485 Ca 0.62 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.60 1xl1 s GLY 485 CO 0.66 -0.39 -0.11 -0.26 0.00 0.00 0.00 173.10 173.00 1xl1 s ILE 486 N -2.89 0.88 -0.14 0.90 -4.36 -0.02 -4.52 121.20 111.05 1xl1 s ILE 486 Ca 0.17 -1.37 -0.29 0.00 -0.26 0.00 0.00 60.65 58.90 1xl1 s ILE 486 Cb -0.04 -1.05 -0.01 0.00 1.25 0.00 0.00 42.46 42.61 1xl1 s ILE 486 CO 0.12 -0.40 1.02 0.28 0.24 0.00 0.00 174.94 176.20 1xl1 s THR 487 N -1.75 4.74 -0.99 8.37 -1.32 -1.26 -0.82 115.64 122.61 1xl1 s THR 487 Ca -0.01 2.03 0.12 0.00 -1.21 0.00 0.00 61.69 62.61 1xl1 s THR 487 Cb -0.07 -4.30 0.10 0.00 -1.51 0.00 0.00 72.50 66.72 1xl1 s THR 487 CO 0.01 -0.05 1.39 -0.81 -2.21 0.00 0.00 174.62 172.95 1xl1 n PRO 488 N 5.42 0.00 0.14 7.08 -0.04 -1.26 -1.68 135.00 144.67 1xl1 n PRO 488 Ca 0.10 0.30 -0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1xl1 n PRO 488 Cb 0.48 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1xl1 n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xl1 h ARG 489 N 0.00 -0.41 -0.45 0.54 -0.00 -1.91 -2.52 114.38 109.62 1xl1 h ARG 489 Ca 0.00 0.03 -0.12 0.00 -0.50 0.00 0.00 59.98 59.38 1xl1 h ARG 489 Cb 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.26 1xl1 h ARG 489 CO 0.00 -0.28 -0.20 -0.09 0.00 0.00 0.00 179.97 179.41 1xl1 h ARG 490 N -0.93 0.94 -0.36 0.04 2.43 -1.96 0.14 114.38 114.68 1xl1 h ARG 490 Ca -0.04 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1xl1 h ARG 490 Cb 0.33 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1xl1 h ARG 490 CO 0.07 1.06 0.00 0.91 -1.51 0.00 0.00 179.97 180.50 1xl1 n TRP 491 N -4.17 0.40 0.00 2.20 7.02 -0.68 -2.63 117.44 119.59 1xl1 n TRP 491 Ca -0.00 -0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1xl1 n TRP 491 Cb 0.44 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1xl1 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1xl1 n LEU 492 N 0.23 0.00 -0.06 -0.99 7.94 -0.98 -4.75 117.00 118.39 1xl1 n LEU 492 Ca 0.09 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.91 1xl1 n LEU 492 Cb 0.28 0.12 -0.02 0.00 0.53 0.00 0.00 43.42 44.32 1xl1 n LEU 492 CO 0.07 -0.36 0.82 0.58 -1.11 0.00 0.00 177.39 177.38 1xl1 h VAL 493 N 0.00 0.76 -0.01 1.96 2.07 -1.23 0.52 116.25 120.32 1xl1 h VAL 493 Ca 0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xl1 h VAL 493 Cb 0.00 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xl1 h VAL 493 CO 0.00 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.83 1xl1 h LEU 494 N 0.00 0.02 0.00 2.57 6.46 -0.84 -3.13 115.31 120.39 1xl1 h LEU 494 Ca 0.12 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1xl1 h LEU 494 Cb 0.18 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1xl1 h LEU 494 CO -0.25 0.48 -0.70 0.00 -0.62 0.00 0.00 178.44 177.35 1xl1 n ASN 496 N -2.74 0.97 -0.30 0.00 2.85 0.18 -4.86 115.26 111.35 1xl1 n ASN 496 Ca 0.01 -2.94 0.04 0.00 -0.11 0.00 0.00 54.58 51.58 1xl1 n ASN 496 Cb 0.53 -0.63 0.23 0.00 1.24 0.00 0.00 39.78 41.16 1xl1 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xl1 h PRO 497 N 3.50 1.01 -0.80 1.20 0.13 -1.61 -1.66 132.00 133.76 1xl1 h PRO 497 Ca 0.10 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.23 1xl1 h PRO 497 Cb 0.88 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 31.72 1xl1 h PRO 497 CO 0.52 0.67 0.48 0.78 -0.23 0.00 0.00 178.00 180.23 1xl1 h GLY 498 N 1.04 1.20 1.05 1.56 0.00 -1.91 0.81 103.07 106.82 1xl1 h GLY 498 Ca 0.39 -0.35 -0.19 0.00 0.00 0.00 0.00 47.33 47.18 1xl1 h GLY 498 CO -0.14 0.23 -0.65 -2.00 0.00 0.00 0.00 176.54 173.97 1xl1 h LEU 499 N 0.88 0.82 -1.56 3.11 5.85 -1.78 -2.68 115.31 119.94 1xl1 h LEU 499 Ca 0.35 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1xl1 h LEU 499 Cb 0.18 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1xl1 h LEU 499 CO -0.18 1.31 0.21 0.00 -0.34 0.00 0.00 178.44 179.45 1xl1 h ALA 500 N 0.52 1.67 0.21 1.25 0.00 -0.88 -2.24 119.26 119.79 1xl1 h ALA 500 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xl1 h ALA 500 Cb 1.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xl1 h ALA 500 CO 0.14 0.29 -0.10 1.49 0.00 0.00 0.00 179.25 181.06 1xl1 h GLU 501 N 0.52 -0.27 0.00 0.00 4.57 -0.78 -0.71 114.58 117.92 1xl1 h GLU 501 Ca 0.14 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1xl1 h GLU 501 Cb 0.00 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1xl1 h GLU 501 CO -0.02 0.12 -0.04 -0.84 -1.18 0.00 0.00 179.01 177.04 1xl1 h ILE 502 N -0.78 0.82 -0.04 2.32 3.07 -1.39 0.18 117.51 121.68 1xl1 h ILE 502 Ca -0.03 -0.16 -0.12 0.00 1.55 0.00 0.00 64.86 66.10 1xl1 h ILE 502 Cb 0.51 1.09 0.01 0.00 -0.27 0.00 0.00 36.82 38.16 1xl1 h ILE 502 CO 0.05 0.04 -0.45 0.40 -1.05 0.00 0.00 178.15 177.14 1xl1 h ILE 503 N 0.00 1.43 -0.88 0.16 2.04 -1.38 -3.19 117.51 115.68 1xl1 h ILE 503 Ca -0.00 -1.90 0.02 0.00 1.00 0.00 0.00 64.86 63.98 1xl1 h ILE 503 Cb 0.09 2.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 1xl1 h ILE 503 CO 0.01 0.55 0.58 0.00 0.00 0.00 0.00 178.15 179.29 1xl1 h ALA 504 N 0.38 1.41 -0.82 1.87 0.00 0.07 -1.12 119.26 121.06 1xl1 h ALA 504 Ca -0.04 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.96 1xl1 h ALA 504 Cb 1.13 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1xl1 h ALA 504 CO 0.09 0.52 0.54 0.93 0.00 0.00 0.00 179.25 181.33 1xl1 h GLU 505 N 1.15 0.55 0.09 0.00 5.08 -0.69 0.30 114.58 121.06 1xl1 h GLU 505 Ca 0.34 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.30 1xl1 h GLU 505 Cb -0.05 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1xl1 h GLU 505 CO -0.09 0.37 -2.03 0.54 -1.00 0.00 0.00 179.01 176.80 1xl1 n ARG 506 N -4.52 0.73 -0.01 2.33 5.12 -0.71 -4.66 116.66 114.92 1xl1 n ARG 506 Ca 0.16 0.27 0.01 0.00 -1.93 0.00 0.00 57.85 56.35 1xl1 n ARG 506 Cb 0.49 -1.68 0.01 0.00 -1.16 0.00 0.00 32.46 30.12 1xl1 n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1xl1 n ILE 507 N -3.54 0.73 -0.67 0.55 -5.35 -0.50 -5.13 119.36 105.45 1xl1 n ILE 507 Ca -0.35 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1xl1 n ILE 507 Cb 1.01 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 1xl1 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xl1 n GLY 508 N -0.26 -2.86 0.08 3.28 0.00 0.10 -4.65 105.19 100.88 1xl1 n GLY 508 Ca 0.01 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.34 1xl1 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xl1 n GLU 509 N -0.34 0.20 -0.14 1.61 1.02 -1.26 -4.12 120.64 117.61 1xl1 n GLU 509 Ca 0.00 -0.16 0.27 0.00 -0.02 0.00 0.00 57.16 57.25 1xl1 n GLU 509 Cb 0.00 -1.50 0.72 0.00 -0.02 0.00 0.00 31.44 30.64 1xl1 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1xl1 h GLU 510 N 0.39 0.00 0.00 3.49 4.39 -1.96 -2.00 114.58 118.89 1xl1 h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1xl1 h GLU 510 Cb 0.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1xl1 h GLU 510 CO 0.00 0.00 -0.11 0.10 -1.16 0.00 0.00 179.01 177.84 1xl1 h TYR 511 N 0.00 0.00 -0.24 4.33 -0.00 -1.79 -2.80 116.97 116.47 1xl1 h TYR 511 Ca 0.39 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 59.19 1xl1 h TYR 511 Cb 1.58 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.30 1xl1 h TYR 511 CO 0.00 0.11 0.23 0.82 -0.00 0.00 0.00 178.16 179.32 1xl1 h ILE 512 N 0.00 0.54 0.00 -0.90 2.04 -1.71 0.05 117.51 117.54 1xl1 h ILE 512 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xl1 h ILE 512 Cb 0.26 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1xl1 h ILE 512 CO 0.01 0.00 -0.15 -1.54 0.00 0.00 0.00 178.15 176.48 1xl1 n SER 513 N -3.94 1.86 -2.74 1.72 3.41 -1.07 -4.64 113.62 108.21 1xl1 n SER 513 Ca 0.03 -2.94 -0.07 0.00 -0.26 0.00 0.00 58.87 55.63 1xl1 n SER 513 Cb 0.38 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1xl1 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xl1 n ASP 514 N -1.12 -2.78 0.33 4.04 4.64 -0.13 -5.03 116.55 116.49 1xl1 n ASP 514 Ca 0.13 -3.04 0.20 0.00 -1.38 0.00 0.00 54.79 50.70 1xl1 n ASP 514 Cb 0.66 1.68 1.12 0.00 -1.04 0.00 0.00 41.12 43.55 1xl1 n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1xl1 h LEU 515 N 4.05 0.00 -2.15 -2.67 5.85 -1.49 -2.13 115.31 116.77 1xl1 h LEU 515 Ca -0.13 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1xl1 h LEU 515 Cb 1.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1xl1 h LEU 515 CO 0.22 0.00 0.10 0.44 -0.34 0.00 0.00 178.44 178.86 1xl1 h ASP 516 N 0.00 0.00 0.00 1.25 3.32 -1.85 -1.00 116.42 118.14 1xl1 h ASP 516 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xl1 h ASP 516 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xl1 h ASP 516 CO 0.00 0.00 0.01 0.00 -1.72 0.00 0.00 179.24 177.53 1xl1 n GLN 517 N -4.22 0.13 0.30 3.56 6.02 -0.80 -1.80 117.38 120.56 1xl1 n GLN 517 Ca -0.00 0.62 0.20 0.00 -0.01 0.00 0.00 57.00 57.82 1xl1 n GLN 517 Cb 0.22 -1.93 1.03 0.00 1.02 0.00 0.00 30.24 30.58 1xl1 n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1xl1 h LEU 518 N 0.00 0.00 -2.03 1.08 3.38 -1.41 -1.90 115.31 114.44 1xl1 h LEU 518 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1xl1 h LEU 518 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xl1 h LEU 518 CO 0.00 0.00 0.17 0.03 0.09 0.00 0.00 178.44 178.73 1xl1 h ARG 519 N 0.00 0.00 -0.08 1.13 3.08 -0.79 0.22 114.38 117.94 1xl1 h ARG 519 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1xl1 h ARG 519 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xl1 h ARG 519 CO 0.00 0.00 0.14 0.87 -1.07 0.00 0.00 179.97 179.91 1xl1 h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.59 0.10 116.57 116.69 1xl1 h LYS 520 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xl1 h LYS 520 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xl1 h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1xl1 n LEU 521 N -3.45 0.60 0.13 2.94 4.77 0.06 -2.45 117.00 119.61 1xl1 n LEU 521 Ca -0.01 0.68 0.05 0.00 -0.03 0.00 0.00 56.01 56.70 1xl1 n LEU 521 Cb 0.23 -0.63 0.49 0.00 -2.33 0.00 0.00 43.42 41.18 1xl1 n LEU 521 CO 0.23 -0.64 1.05 -0.07 -1.33 0.00 0.00 177.39 176.63 1xl1 h LEU 522 N 0.00 0.23 0.00 2.23 4.07 -0.96 -0.99 115.31 119.89 1xl1 h LEU 522 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1xl1 h LEU 522 Cb 0.27 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1xl1 h LEU 522 CO 0.00 0.23 0.00 -1.54 -1.08 0.00 0.00 178.44 176.05 1xl1 n SER 523 N -4.44 0.00 -0.02 -0.43 3.41 -1.03 -2.60 113.62 108.51 1xl1 n SER 523 Ca -0.00 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1xl1 n SER 523 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1xl1 n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xl1 n TYR 524 N -0.55 0.01 0.32 7.33 4.01 -0.38 -4.70 117.16 123.20 1xl1 n TYR 524 Ca 0.02 -0.17 0.18 0.00 -0.16 0.00 0.00 57.90 57.77 1xl1 n TYR 524 Cb 0.01 -0.02 1.05 0.00 -0.31 0.00 0.00 39.34 40.07 1xl1 n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1xl1 h VAL 525 N 0.10 0.30 -0.23 -0.72 3.04 -1.51 -0.05 116.25 117.19 1xl1 h VAL 525 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1xl1 h VAL 525 Cb 0.19 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1xl1 h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1xl1 n ASP 526 N -3.52 2.59 -4.61 3.17 10.43 -1.26 -4.86 116.55 118.49 1xl1 n ASP 526 Ca -0.03 -1.79 -0.43 0.00 2.57 0.00 0.00 54.79 55.11 1xl1 n ASP 526 Cb 0.08 -0.15 -0.02 0.00 1.84 0.00 0.00 41.12 42.87 1xl1 n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1xl1 s ASP 527 N -1.01 6.70 0.27 -2.24 3.68 -0.03 -4.92 116.67 119.12 1xl1 s ASP 527 Ca 0.21 0.60 -0.02 0.00 2.13 0.00 0.00 52.55 55.46 1xl1 s ASP 527 Cb 0.12 -2.54 0.40 0.00 -1.45 0.00 0.00 42.92 39.46 1xl1 s ASP 527 CO 0.16 -1.13 1.89 -0.08 0.13 0.00 0.00 175.17 176.14 1xl1 h GLU 528 N 8.89 1.15 -0.17 4.34 4.57 -1.92 -0.45 114.58 131.00 1xl1 h GLU 528 Ca -0.22 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1xl1 h GLU 528 Cb 1.06 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 1xl1 h GLU 528 CO 1.09 0.76 0.05 0.00 -1.18 0.00 0.00 179.01 179.74 1xl1 h ALA 529 N 1.45 0.22 -0.44 2.92 0.00 -1.95 -1.84 119.26 119.63 1xl1 h ALA 529 Ca 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1xl1 h ALA 529 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xl1 h ALA 529 CO -0.17 -0.16 0.15 0.35 0.00 0.00 0.00 179.25 179.42 1xl1 h PHE 530 N 0.10 0.69 -0.61 0.00 -0.00 -1.78 -1.07 116.94 114.26 1xl1 h PHE 530 Ca 0.05 -0.06 0.08 0.00 -0.00 0.00 0.00 57.97 58.04 1xl1 h PHE 530 Cb 0.22 -0.20 -0.06 0.00 -0.00 0.00 0.00 35.95 35.91 1xl1 h PHE 530 CO -0.00 0.61 0.27 0.82 -0.00 0.00 0.00 178.31 180.01 1xl1 h ILE 531 N 0.56 0.84 -0.63 1.41 2.04 -1.03 0.98 117.51 121.68 1xl1 h ILE 531 Ca 0.14 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1xl1 h ILE 531 Cb 0.24 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1xl1 h ILE 531 CO -0.01 0.09 0.27 -0.09 0.00 0.00 0.00 178.15 178.41 1xl1 h ARG 532 N 0.48 0.93 -0.25 2.37 2.43 -0.96 -2.27 114.38 117.11 1xl1 h ARG 532 Ca 0.29 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1xl1 h ARG 532 Cb 0.31 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xl1 h ARG 532 CO -0.26 0.78 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.51 1xl1 h ASP 533 N 0.88 0.46 -0.36 -3.80 3.32 -0.43 -0.15 116.42 116.34 1xl1 h ASP 533 Ca 0.21 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.97 1xl1 h ASP 533 Cb 0.18 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1xl1 h ASP 533 CO -0.02 0.69 0.08 0.58 -1.72 0.00 0.00 179.24 178.85 1xl1 h VAL 534 N 0.21 0.82 -0.13 -1.35 2.07 -0.74 0.30 116.25 117.44 1xl1 h VAL 534 Ca 0.07 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1xl1 h VAL 534 Cb 0.48 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xl1 h VAL 534 CO 0.02 0.04 -0.28 0.00 0.02 0.00 0.00 177.57 177.36 1xl1 h ALA 535 N 1.27 1.28 -0.29 1.67 0.00 -1.33 -2.46 119.26 119.40 1xl1 h ALA 535 Ca 0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1xl1 h ALA 535 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xl1 h ALA 535 CO -0.22 0.49 -0.18 -0.22 0.00 0.00 0.00 179.25 179.11 1xl1 h LYS 536 N 0.21 0.64 -0.49 0.00 3.64 0.01 -1.71 116.57 118.87 1xl1 h LYS 536 Ca 0.03 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1xl1 h LYS 536 Cb 0.62 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1xl1 h LYS 536 CO 0.04 0.89 0.31 0.28 -2.27 0.00 0.00 179.45 178.70 1xl1 h VAL 537 N 0.38 1.14 0.02 2.00 2.07 -0.80 -0.50 116.25 120.56 1xl1 h VAL 537 Ca 0.06 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1xl1 h VAL 537 Cb 0.72 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1xl1 h VAL 537 CO 0.05 0.14 -0.03 0.50 0.02 0.00 0.00 177.57 178.25 1xl1 h LYS 538 N 0.66 -0.06 -0.92 1.57 1.63 -1.39 -0.45 116.57 117.61 1xl1 h LYS 538 Ca 0.18 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1xl1 h LYS 538 Cb -0.03 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 1xl1 h LYS 538 CO -0.04 -0.04 0.57 0.37 -3.45 0.00 0.00 179.45 176.86 1xl1 h GLN 539 N -0.06 0.96 -0.63 1.90 5.75 -0.97 -0.05 115.11 122.01 1xl1 h GLN 539 Ca 0.01 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 1xl1 h GLN 539 Cb 0.07 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1xl1 h GLN 539 CO -0.02 0.63 0.11 0.93 -2.65 0.00 0.00 178.83 177.84 1xl1 h GLU 540 N 0.99 1.03 -0.67 1.69 5.08 -0.66 -1.23 114.58 120.80 1xl1 h GLU 540 Ca 0.42 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1xl1 h GLU 540 Cb 0.27 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1xl1 h GLU 540 CO -0.21 0.95 0.25 -0.91 -1.00 0.00 0.00 179.01 178.10 1xl1 h ASN 541 N 0.94 0.92 -0.46 1.42 2.35 0.15 -0.84 115.58 120.05 1xl1 h ASN 541 Ca 0.19 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1xl1 h ASN 541 Cb 0.41 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1xl1 h ASN 541 CO 0.01 0.83 -0.20 0.11 -1.65 0.00 0.00 177.43 176.53 1xl1 h LYS 542 N 0.98 0.95 -0.49 0.81 1.57 -0.74 -0.87 116.57 118.78 1xl1 h LYS 542 Ca 0.23 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1xl1 h LYS 542 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xl1 h LYS 542 CO -0.02 1.07 0.10 -0.07 -0.57 0.00 0.00 179.45 179.96 1xl1 h LEU 543 N 0.79 0.76 -0.79 2.94 3.38 -0.95 0.26 115.31 121.72 1xl1 h LEU 543 Ca 0.11 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1xl1 h LEU 543 Cb 0.77 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1xl1 h LEU 543 CO 0.06 0.82 0.26 0.50 0.09 0.00 0.00 178.44 180.17 1xl1 h LYS 544 N 0.68 1.16 -0.17 1.13 3.64 -1.05 -1.38 116.57 120.58 1xl1 h LYS 544 Ca 0.15 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 59.09 1xl1 h LYS 544 Cb 0.36 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xl1 h LYS 544 CO 0.01 0.97 -0.69 0.35 -2.27 0.00 0.00 179.45 177.82 1xl1 h PHE 545 N 1.12 1.02 -0.20 1.91 3.57 -0.83 -1.70 116.94 121.84 1xl1 h PHE 545 Ca 0.25 -0.43 0.01 0.00 3.53 0.00 0.00 57.97 61.32 1xl1 h PHE 545 Cb 0.28 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1xl1 h PHE 545 CO 0.02 1.26 0.13 0.00 -2.23 0.00 0.00 178.31 177.49 1xl1 h ALA 546 N 0.56 1.90 -0.04 2.41 0.00 -0.30 -0.60 119.26 123.20 1xl1 h ALA 546 Ca -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xl1 h ALA 546 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xl1 h ALA 546 CO 0.14 0.08 -0.24 0.00 0.00 0.00 0.00 179.25 179.23 1xl1 h ALA 547 N 1.88 0.08 -0.83 0.00 0.00 -1.09 -3.20 119.26 116.11 1xl1 h ALA 547 Ca 0.08 -0.43 0.12 0.00 0.00 0.00 0.00 54.91 54.68 1xl1 h ALA 547 Cb 0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1xl1 h ALA 547 CO -0.02 0.10 0.44 -0.92 0.00 0.00 0.00 179.25 178.85 1xl1 h TYR 548 N -0.33 0.79 -0.35 0.00 5.03 -0.45 -0.18 116.97 121.48 1xl1 h TYR 548 Ca -0.02 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.37 1xl1 h TYR 548 Cb 0.92 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.95 1xl1 h TYR 548 CO 0.14 0.25 0.24 -0.07 -1.32 0.00 0.00 178.16 177.40 1xl1 h LEU 549 N 0.69 0.26 0.05 2.82 3.38 -1.14 -1.74 115.31 119.62 1xl1 h LEU 549 Ca 0.43 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.11 1xl1 h LEU 549 Cb 0.51 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1xl1 h LEU 549 CO -0.31 0.17 -1.47 -0.33 0.09 0.00 0.00 178.44 176.60 1xl1 h GLU 550 N 0.30 0.11 0.00 1.13 5.08 -1.11 -0.24 114.58 119.85 1xl1 h GLU 550 Ca 0.15 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xl1 h GLU 550 Cb 0.22 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xl1 h GLU 550 CO -0.03 0.90 0.00 0.54 -1.00 0.00 0.00 179.01 179.42 1xl1 n ARG 551 N -3.30 0.00 0.07 2.33 1.74 -0.29 -1.59 116.66 115.61 1xl1 n ARG 551 Ca -0.13 0.47 0.13 0.00 -0.77 0.00 0.00 57.85 57.55 1xl1 n ARG 551 Cb 1.02 -1.42 0.40 0.00 -1.02 0.00 0.00 32.46 31.44 1xl1 n ARG 551 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xl1 n GLU 552 N -1.91 0.19 0.00 5.56 4.71 -0.73 -4.33 120.64 124.14 1xl1 n GLU 552 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1xl1 n GLU 552 Cb 0.00 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 1xl1 n GLU 552 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1xl1 n TYR 553 N -2.01 0.00 -3.76 -0.32 4.01 -1.03 -5.07 117.16 108.98 1xl1 n TYR 553 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 1xl1 n TYR 553 Cb 0.41 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 1xl1 n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1xl1 n LYS 554 N -0.18 -5.33 -4.10 -0.72 4.76 -0.13 -4.90 118.16 107.56 1xl1 n LYS 554 Ca 0.00 0.63 -0.28 0.00 -2.87 0.00 0.00 58.31 55.79 1xl1 n LYS 554 Cb 0.08 -5.34 -0.17 0.00 -1.84 0.00 0.00 35.03 27.77 1xl1 n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1xl1 s VAL 555 N -3.52 1.24 0.08 -0.18 -7.23 -1.03 -4.94 120.40 104.83 1xl1 s VAL 555 Ca 0.26 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.68 1xl1 s VAL 555 Cb -0.13 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1xl1 s VAL 555 CO 0.81 0.40 1.01 -1.00 -0.31 0.00 0.00 175.10 176.01 1xl1 s HIS 556 N 1.41 3.71 0.02 2.82 0.09 -1.26 -4.07 115.29 118.01 1xl1 s HIS 556 Ca 0.01 1.70 -0.03 0.00 -0.00 0.00 0.00 55.06 56.74 1xl1 s HIS 556 Cb -0.13 -3.13 -0.02 0.00 -0.00 0.00 0.00 32.58 29.29 1xl1 s HIS 556 CO -0.06 -0.09 0.03 0.96 -0.00 0.00 0.00 174.74 175.57 1xl1 s ILE 557 N 0.34 0.13 -0.49 0.60 -4.36 -1.26 -5.13 121.20 111.03 1xl1 s ILE 557 Ca 0.50 -1.03 -0.24 0.00 -0.26 0.00 0.00 60.65 59.62 1xl1 s ILE 557 Cb -0.24 -0.59 0.03 0.00 1.25 0.00 0.00 42.46 42.91 1xl1 s ILE 557 CO 0.30 -0.57 0.85 0.21 0.24 0.00 0.00 174.94 175.97 1xl1 s ASN 558 N -1.79 6.39 0.13 4.36 2.47 -1.26 -4.92 114.94 120.32 1xl1 s ASN 558 Ca -0.10 -0.21 0.09 0.00 0.42 0.00 0.00 52.86 53.06 1xl1 s ASN 558 Cb -0.05 -2.41 0.50 0.00 -1.45 0.00 0.00 41.25 37.84 1xl1 s ASN 558 CO -0.03 -1.04 1.29 -2.65 -3.72 0.00 0.00 177.10 170.96 1xl1 n PRO 559 N 7.00 0.06 0.02 0.43 -0.02 -1.26 -1.53 135.00 139.69 1xl1 n PRO 559 Ca 0.02 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 1xl1 n PRO 559 Cb 0.48 -1.69 0.18 0.00 -0.02 0.00 0.00 33.50 32.45 1xl1 n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xl1 n ASN 560 N -1.81 0.59 -4.85 2.55 5.03 -1.26 -4.88 115.26 110.63 1xl1 n ASN 560 Ca -0.00 -0.17 -0.30 0.00 0.87 0.00 0.00 54.58 54.98 1xl1 n ASN 560 Cb 0.03 0.35 0.08 0.00 -1.02 0.00 0.00 39.78 39.22 1xl1 n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1xl1 s SER 561 N -3.49 4.64 -0.10 6.41 1.04 -0.58 -4.95 113.70 116.66 1xl1 s SER 561 Ca 0.08 1.06 -0.30 0.00 0.48 0.00 0.00 55.95 57.28 1xl1 s SER 561 Cb 0.16 -1.73 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 1xl1 s SER 561 CO 0.73 -1.85 1.06 -0.22 0.98 0.00 0.00 173.24 173.94 1xl1 s LEU 562 N -5.64 4.24 -0.65 2.42 0.20 0.23 -4.80 118.68 114.68 1xl1 s LEU 562 Ca 0.61 1.59 -0.24 0.00 0.69 0.00 0.00 54.13 56.78 1xl1 s LEU 562 Cb -0.13 -3.56 0.05 0.00 -0.43 0.00 0.00 46.19 42.13 1xl1 s LEU 562 CO 0.52 -0.50 1.04 -0.36 -0.29 0.00 0.00 176.35 176.76 1xl1 s PHE 563 N 2.16 2.61 -0.47 5.38 2.99 -1.26 -0.90 117.98 128.49 1xl1 s PHE 563 Ca 0.50 -0.27 -0.17 0.00 0.00 0.00 0.00 56.93 56.99 1xl1 s PHE 563 Cb -0.20 -4.32 0.05 0.00 0.00 0.00 0.00 43.02 38.56 1xl1 s PHE 563 CO 0.18 -1.67 0.49 0.34 -0.00 0.00 0.00 175.22 174.56 1xl1 s ASP 564 N 3.45 6.19 -0.02 1.36 3.68 -0.10 -1.42 116.67 129.80 1xl1 s ASP 564 Ca 0.28 -1.01 0.05 0.00 2.13 0.00 0.00 52.55 54.00 1xl1 s ASP 564 Cb -0.13 -2.23 -0.01 0.00 -1.45 0.00 0.00 42.92 39.09 1xl1 s ASP 564 CO 0.14 -0.72 -0.15 0.54 0.13 0.00 0.00 175.17 175.11 1xl1 s VAL 565 N 2.13 1.24 -0.31 1.11 0.11 -0.75 0.76 120.40 124.69 1xl1 s VAL 565 Ca 0.10 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1xl1 s VAL 565 Cb -0.20 -1.04 0.10 0.00 -1.53 0.00 0.00 36.38 33.70 1xl1 s VAL 565 CO 0.10 0.35 0.08 -1.58 -3.33 0.00 0.00 175.10 170.73 1xl1 s GLN 566 N -0.23 0.92 -0.13 1.54 0.74 0.29 -2.06 119.66 120.72 1xl1 s GLN 566 Ca 0.03 -1.24 0.03 0.00 0.05 0.00 0.00 55.36 54.23 1xl1 s GLN 566 Cb -0.07 -2.29 0.01 0.00 1.10 0.00 0.00 33.01 31.75 1xl1 s GLN 566 CO 0.00 -0.95 -0.22 0.14 -0.55 0.00 0.00 175.29 173.70 1xl1 s VAL 567 N 1.45 2.10 0.00 1.34 -7.23 -1.26 -1.43 120.40 115.36 1xl1 s VAL 567 Ca 0.09 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1xl1 s VAL 567 Cb -0.18 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1xl1 s VAL 567 CO -0.20 0.55 0.00 2.29 -0.31 0.00 0.00 175.10 177.43 1xl1 n LYS 568 N 3.87 0.00 -1.67 4.82 2.85 -0.74 -4.98 118.16 122.31 1xl1 n LYS 568 Ca -0.20 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.67 1xl1 n LYS 568 Cb 0.52 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.93 1xl1 n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xl1 n ARG 569 N -0.38 1.46 -2.56 -1.58 5.12 -1.26 -3.91 116.66 113.55 1xl1 n ARG 569 Ca 0.00 0.54 -0.43 0.00 -1.93 0.00 0.00 57.85 56.03 1xl1 n ARG 569 Cb 0.00 -2.31 -0.02 0.00 -1.16 0.00 0.00 32.46 28.97 1xl1 n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xl1 s ILE 570 N -1.33 4.50 -0.05 0.55 -1.09 -0.27 -4.88 121.20 118.62 1xl1 s ILE 570 Ca 0.68 1.80 -0.22 0.00 -2.23 0.00 0.00 60.65 60.68 1xl1 s ILE 570 Cb -0.47 -4.18 0.05 0.00 -1.58 0.00 0.00 42.46 36.28 1xl1 s ILE 570 CO 0.52 -0.18 0.50 -2.28 -1.23 0.00 0.00 174.94 172.27 1xl1 s HIS 571 N 3.37 -0.43 0.29 3.97 2.46 -1.26 -4.68 115.29 119.01 1xl1 s HIS 571 Ca 0.49 0.77 -0.03 0.00 0.47 0.00 0.00 55.06 56.76 1xl1 s HIS 571 Cb -0.18 0.25 0.41 0.00 -0.13 0.00 0.00 32.58 32.93 1xl1 s HIS 571 CO 0.10 -0.48 1.94 0.93 -2.47 0.00 0.00 174.74 174.77 1xl1 h GLU 572 N 3.63 1.08 0.00 2.88 5.08 -1.96 -2.53 114.58 122.76 1xl1 h GLU 572 Ca -0.28 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1xl1 h GLU 572 Cb 1.16 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1xl1 h GLU 572 CO 0.37 0.75 -0.25 0.10 -1.00 0.00 0.00 179.01 178.98 1xl1 h TYR 573 N 1.10 0.00 0.00 4.33 -0.00 -1.97 -1.58 116.97 118.85 1xl1 h TYR 573 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.02 1xl1 h TYR 573 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.67 1xl1 h TYR 573 CO 0.00 0.25 0.00 1.63 -0.00 0.00 0.00 178.16 180.05 1xl1 n LYS 574 N -3.61 0.07 -3.76 0.10 5.02 -0.96 -2.90 118.16 112.12 1xl1 n LYS 574 Ca -0.01 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 1xl1 n LYS 574 Cb 0.39 -1.60 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1xl1 n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xl1 n ARG 575 N -1.73 -3.87 0.28 1.97 1.74 -0.59 -4.06 116.66 110.40 1xl1 n ARG 575 Ca 0.05 0.54 0.14 0.00 -0.77 0.00 0.00 57.85 57.81 1xl1 n ARG 575 Cb 0.31 -4.86 0.84 0.00 -1.02 0.00 0.00 32.46 27.72 1xl1 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1xl1 h GLN 576 N -1.84 0.00 -0.39 5.56 7.50 -1.84 -1.11 115.11 123.00 1xl1 h GLN 576 Ca -0.62 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.49 1xl1 h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 1xl1 h GLN 576 CO 0.57 0.05 0.07 -0.07 -1.50 0.00 0.00 178.83 177.95 1xl1 h LEU 577 N 0.00 0.54 -0.68 1.46 3.38 -1.91 -0.07 115.31 118.03 1xl1 h LEU 577 Ca -0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1xl1 h LEU 577 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xl1 h LEU 577 CO 0.01 0.56 -0.07 0.25 0.09 0.00 0.00 178.44 179.27 1xl1 h LEU 578 N 0.57 0.94 -0.49 1.67 5.85 -1.57 -1.04 115.31 121.24 1xl1 h LEU 578 Ca 0.13 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1xl1 h LEU 578 Cb 0.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1xl1 h LEU 578 CO 0.00 1.04 0.23 -1.13 -0.34 0.00 0.00 178.44 178.24 1xl1 h ASN 579 N 0.86 0.64 -0.69 1.25 -0.00 -1.29 -2.38 115.58 113.98 1xl1 h ASN 579 Ca 0.15 -0.13 0.04 0.00 -0.00 0.00 0.00 56.30 56.35 1xl1 h ASN 579 Cb 0.60 -0.17 -0.05 0.00 -0.00 0.00 0.00 38.32 38.71 1xl1 h ASN 579 CO 0.04 0.60 0.41 0.00 -0.00 0.00 0.00 177.43 178.47 1xl1 h LEU 581 N 0.78 1.05 -0.44 0.00 3.38 -0.88 -1.21 115.31 117.99 1xl1 h LEU 581 Ca 0.29 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1xl1 h LEU 581 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1xl1 h LEU 581 CO -0.14 0.82 0.01 -0.74 0.09 0.00 0.00 178.44 178.48 1xl1 h HIS 582 N 1.21 0.85 -0.56 1.13 2.76 -0.84 -1.02 115.15 118.66 1xl1 h HIS 582 Ca 0.31 -0.14 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 1xl1 h HIS 582 Cb -0.03 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.67 1xl1 h HIS 582 CO 0.01 0.82 0.33 0.28 -1.30 0.00 0.00 177.93 178.07 1xl1 h VAL 583 N 0.62 1.04 -0.15 5.26 2.07 -0.69 -0.07 116.25 124.34 1xl1 h VAL 583 Ca 0.13 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1xl1 h VAL 583 Cb 0.48 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1xl1 h VAL 583 CO 0.02 0.12 -0.30 0.40 0.02 0.00 0.00 177.57 177.83 1xl1 h ILE 584 N 0.66 1.26 -0.16 4.57 2.04 -1.10 -1.48 117.51 123.31 1xl1 h ILE 584 Ca 0.23 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1xl1 h ILE 584 Cb 0.05 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1xl1 h ILE 584 CO -0.11 0.38 0.05 0.74 0.00 0.00 0.00 178.15 179.22 1xl1 h THR 585 N 0.25 1.17 -0.67 -0.27 2.02 -0.16 0.28 112.91 115.53 1xl1 h THR 585 Ca 0.03 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1xl1 h THR 585 Cb 0.66 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1xl1 h THR 585 CO 0.05 0.16 0.41 -0.07 0.37 0.00 0.00 175.52 176.45 1xl1 h LEU 586 N 0.08 0.68 -0.41 2.58 4.07 -0.77 -0.82 115.31 120.73 1xl1 h LEU 586 Ca 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1xl1 h LEU 586 Cb 0.21 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1xl1 h LEU 586 CO -0.00 0.47 0.19 0.22 -1.08 0.00 0.00 178.44 178.24 1xl1 h TYR 587 N 0.81 0.59 -0.44 1.13 5.03 -0.99 -1.88 116.97 121.22 1xl1 h TYR 587 Ca 0.27 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 1xl1 h TYR 587 Cb 0.02 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.10 1xl1 h TYR 587 CO -0.05 0.49 0.03 -0.91 -1.32 0.00 0.00 178.16 176.40 1xl1 h ASN 588 N 0.51 0.65 -0.18 -2.11 2.35 -0.46 -1.62 115.58 114.73 1xl1 h ASN 588 Ca 0.14 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1xl1 h ASN 588 Cb 0.12 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1xl1 h ASN 588 CO -0.02 0.70 -0.26 0.03 -1.65 0.00 0.00 177.43 176.24 1xl1 h ARG 589 N 0.66 0.65 -0.24 0.81 3.08 -0.91 -1.49 114.38 116.95 1xl1 h ARG 589 Ca 0.14 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1xl1 h ARG 589 Cb 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1xl1 h ARG 589 CO 0.01 0.85 -0.17 0.82 -1.07 0.00 0.00 179.97 180.41 1xl1 h ILE 590 N 0.57 1.31 0.00 2.04 2.04 -1.02 -1.91 117.51 120.53 1xl1 h ILE 590 Ca 0.08 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 1xl1 h ILE 590 Cb 0.74 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1xl1 h ILE 590 CO 0.06 0.40 -0.18 0.11 0.00 0.00 0.00 178.15 178.54 1xl1 h LYS 591 N 0.24 0.00 0.02 2.37 1.79 -1.20 0.96 116.57 120.76 1xl1 h LYS 591 Ca 0.05 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.27 1xl1 h LYS 591 Cb 0.70 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1xl1 h LYS 591 CO 0.05 0.18 -1.01 -0.22 -1.08 0.00 0.00 179.45 177.36 1xl1 h LYS 592 N 0.00 0.51 -2.23 3.15 3.64 -1.09 -3.38 116.57 117.17 1xl1 h LYS 592 Ca -0.00 -0.57 -0.58 0.00 -1.27 0.00 0.00 60.65 58.23 1xl1 h LYS 592 Cb 0.32 0.17 -0.39 0.00 -0.41 0.00 0.00 32.23 31.91 1xl1 h LYS 592 CO 0.02 1.20 -0.97 0.39 -2.27 0.00 0.00 179.45 177.82 1xl1 n GLU 593 N -3.77 0.78 -0.19 1.90 1.02 -0.74 -5.01 120.64 114.64 1xl1 n GLU 593 Ca -0.09 -3.44 0.00 0.00 -0.02 0.00 0.00 57.16 53.62 1xl1 n GLU 593 Cb 0.87 -1.56 0.10 0.00 -0.02 0.00 0.00 31.44 30.83 1xl1 n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xl1 h PRO 594 N 4.70 0.19 -0.80 3.49 0.11 -1.01 -2.68 132.00 136.01 1xl1 h PRO 594 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1xl1 h PRO 594 Cb 0.86 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xl1 h PRO 594 CO 0.48 0.13 0.00 0.09 -0.21 0.00 0.00 178.00 178.49 1xl1 n ASN 595 N -5.18 2.54 -4.86 -2.05 4.13 -1.26 -4.82 115.26 103.76 1xl1 n ASN 595 Ca 0.08 -2.30 -0.36 0.00 1.68 0.00 0.00 54.58 53.69 1xl1 n ASN 595 Cb 0.32 -0.53 -0.06 0.00 -1.54 0.00 0.00 39.78 37.97 1xl1 n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1xl1 s LYS 596 N -1.62 3.75 0.21 3.52 2.36 -1.01 -5.06 119.74 121.89 1xl1 s LYS 596 Ca 0.19 0.17 -0.30 0.00 -2.55 0.00 0.00 55.97 53.48 1xl1 s LYS 596 Cb 0.14 -3.09 -0.08 0.00 -1.05 0.00 0.00 37.83 33.75 1xl1 s LYS 596 CO 0.06 0.63 0.94 0.12 1.55 0.00 0.00 175.35 178.65 1xl1 s PHE 597 N -1.27 3.96 -0.01 4.03 5.36 -1.26 -5.06 117.98 123.74 1xl1 s PHE 597 Ca 0.28 1.89 -0.02 0.00 -0.96 0.00 0.00 56.93 58.12 1xl1 s PHE 597 Cb -0.14 -2.99 -0.00 0.00 -0.34 0.00 0.00 43.02 39.55 1xl1 s PHE 597 CO 0.15 0.42 0.05 0.14 -1.46 0.00 0.00 175.22 174.52 1xl1 s VAL 598 N -0.97 0.04 0.03 3.12 -7.23 -1.26 -5.11 120.40 109.02 1xl1 s VAL 598 Ca 0.42 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 59.92 1xl1 s VAL 598 Cb -0.25 -0.20 -0.08 0.00 0.56 0.00 0.00 36.38 36.41 1xl1 s VAL 598 CO 0.31 -0.20 1.80 -0.69 -0.31 0.00 0.00 175.10 176.01 1xl1 s VAL 599 N -0.62 3.13 0.33 1.32 1.01 -1.26 -4.92 120.40 119.39 1xl1 s VAL 599 Ca -0.07 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1xl1 s VAL 599 Cb -0.04 -3.20 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1xl1 s VAL 599 CO 0.00 -0.02 1.54 -2.65 0.00 0.00 0.00 175.10 173.97 1xl1 n PRO 600 N 6.82 2.65 -4.14 2.72 -0.02 -1.26 -4.91 135.00 136.86 1xl1 n PRO 600 Ca 0.18 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.45 1xl1 n PRO 600 Cb 0.41 -2.69 -0.13 0.00 -0.02 0.00 0.00 33.50 31.07 1xl1 n PRO 600 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xl1 s ARG 601 N -1.17 0.54 -0.29 -0.52 0.52 -0.21 -0.60 118.95 117.22 1xl1 s ARG 601 Ca 0.60 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.31 1xl1 s ARG 601 Cb -0.50 -0.43 0.06 0.00 0.52 0.00 0.00 34.95 34.61 1xl1 s ARG 601 CO 0.55 0.10 -0.03 0.99 0.02 0.00 0.00 175.30 176.93 1xl1 s THR 602 N -0.76 2.55 -0.34 0.02 2.01 -0.08 -1.73 115.64 117.31 1xl1 s THR 602 Ca -0.03 -1.64 -0.19 0.00 0.31 0.00 0.00 61.69 60.14 1xl1 s THR 602 Cb -0.06 -2.54 -0.00 0.00 0.01 0.00 0.00 72.50 69.90 1xl1 s THR 602 CO 0.00 -0.16 0.55 -0.69 -0.69 0.00 0.00 174.62 173.63 1xl1 s VAL 603 N 1.14 4.98 -0.17 3.82 1.01 0.16 -0.93 120.40 130.41 1xl1 s VAL 603 Ca -0.04 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 1xl1 s VAL 603 Cb -0.20 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1xl1 s VAL 603 CO -0.04 -0.22 -0.09 -0.04 0.00 0.00 0.00 175.10 174.71 1xl1 s MET 604 N 2.48 3.36 -0.08 2.72 -1.94 0.23 -0.58 119.30 125.49 1xl1 s MET 604 Ca 0.21 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.55 1xl1 s MET 604 Cb -0.15 -2.81 0.01 0.00 2.01 0.00 0.00 34.83 33.89 1xl1 s MET 604 CO 0.13 -0.00 -0.14 0.42 -0.01 0.00 0.00 175.02 175.43 1xl1 s ILE 605 N 0.92 1.30 0.04 2.53 1.01 -0.43 -0.55 121.20 126.03 1xl1 s ILE 605 Ca -0.02 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 1xl1 s ILE 605 Cb -0.15 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 1xl1 s ILE 605 CO -0.00 0.39 0.16 -0.83 0.00 0.00 0.00 174.94 174.66 1xl1 s GLY 606 N 0.75 0.09 0.00 6.18 0.00 -0.52 -1.03 107.32 112.78 1xl1 s GLY 606 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1xl1 s GLY 606 CO 0.03 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.17 1xl1 n GLY 607 N 0.65 3.72 3.91 0.20 0.00 -1.25 -1.79 105.19 110.62 1xl1 n GLY 607 Ca -0.19 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1xl1 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl1 s LYS 608 N -2.44 3.55 -0.06 1.61 1.02 -1.26 -4.61 119.74 117.54 1xl1 s LYS 608 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1xl1 s LYS 608 Cb 0.00 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1xl1 s LYS 608 CO 0.00 0.51 -0.04 0.00 -0.92 0.00 0.00 175.35 174.90 1xl1 s ALA 609 N -1.62 3.11 0.34 5.17 0.00 -1.26 -1.12 121.76 126.38 1xl1 s ALA 609 Ca 0.39 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 1xl1 s ALA 609 Cb -0.12 -1.31 -0.11 0.00 0.00 0.00 0.00 23.12 21.58 1xl1 s ALA 609 CO 0.26 0.59 1.48 0.00 0.00 0.00 0.00 175.76 178.09 1xl1 s ALA 610 N -0.87 3.60 0.39 0.00 0.00 -1.26 -4.87 121.76 118.75 1xl1 s ALA 610 Ca 0.14 1.51 0.18 0.00 0.00 0.00 0.00 51.96 53.79 1xl1 s ALA 610 Cb -0.11 -3.59 1.10 0.00 0.00 0.00 0.00 23.12 20.52 1xl1 s ALA 610 CO 0.03 -0.96 1.76 -1.35 0.00 0.00 0.00 175.76 175.25 1xl1 h PRO 611 N 3.59 0.38 -0.59 0.00 0.11 -1.98 -1.24 132.00 132.27 1xl1 h PRO 611 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xl1 h PRO 611 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xl1 h PRO 611 CO 0.68 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.14 1xl1 n GLY 612 N -1.46 1.92 3.39 -0.55 0.00 -1.26 -4.76 105.19 102.47 1xl1 n GLY 612 Ca 0.26 -0.70 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 1xl1 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xl1 s TYR 613 N -1.22 3.56 0.14 1.61 6.04 -0.47 -4.93 117.35 122.08 1xl1 s TYR 613 Ca 0.42 -1.88 -0.24 0.00 0.04 0.00 0.00 57.07 55.41 1xl1 s TYR 613 Cb 0.23 -4.05 -0.01 0.00 -1.04 0.00 0.00 41.96 37.08 1xl1 s TYR 613 CO 0.30 -1.22 1.62 1.25 -1.54 0.00 0.00 175.55 175.96 1xl1 h HIS 614 N 7.94 -0.74 -0.85 4.97 -0.00 -1.85 -2.10 115.15 122.51 1xl1 h HIS 614 Ca 0.16 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.63 1xl1 h HIS 614 Cb 0.99 0.35 -0.05 0.00 -0.00 0.00 0.00 27.41 28.70 1xl1 h HIS 614 CO 1.06 -0.35 0.56 1.98 -0.00 0.00 0.00 177.93 181.17 1xl1 h MET 615 N -0.34 0.94 -0.59 5.26 1.85 -1.98 -0.96 114.93 119.11 1xl1 h MET 615 Ca 0.10 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.08 1xl1 h MET 615 Cb 0.50 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.29 1xl1 h MET 615 CO -0.34 0.62 0.12 0.00 -0.40 0.00 0.00 176.91 176.91 1xl1 h ALA 616 N 1.53 1.09 -0.02 0.39 0.00 -1.77 -1.52 119.26 118.96 1xl1 h ALA 616 Ca 0.36 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1xl1 h ALA 616 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xl1 h ALA 616 CO -0.13 0.60 -0.55 0.87 0.00 0.00 0.00 179.25 180.03 1xl1 h LYS 617 N 0.89 0.05 -0.08 0.00 1.57 -0.61 -2.80 116.57 115.60 1xl1 h LYS 617 Ca 0.19 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1xl1 h LYS 617 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1xl1 h LYS 617 CO 0.00 0.59 -0.57 0.52 -0.57 0.00 0.00 179.45 179.43 1xl1 h MET 618 N 0.04 0.26 -0.45 3.15 2.86 -0.73 -2.57 114.93 117.48 1xl1 h MET 618 Ca -0.00 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 1xl1 h MET 618 Cb 0.99 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 1xl1 h MET 618 CO 0.08 0.76 -0.12 0.82 1.06 0.00 0.00 176.91 179.50 1xl1 h ILE 619 N 0.20 1.26 -0.47 -1.22 2.04 -1.07 -0.26 117.51 117.98 1xl1 h ILE 619 Ca -0.00 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 1xl1 h ILE 619 Cb 1.06 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1xl1 h ILE 619 CO 0.09 0.41 0.14 0.40 0.00 0.00 0.00 178.15 179.19 1xl1 h ILE 620 N 0.74 1.23 -0.84 -0.67 2.04 -1.35 -0.99 117.51 117.67 1xl1 h ILE 620 Ca 0.12 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1xl1 h ILE 620 Cb 0.62 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1xl1 h ILE 620 CO 0.04 0.28 0.43 0.50 0.00 0.00 0.00 178.15 179.40 1xl1 h LYS 621 N 0.63 1.19 -0.68 2.37 1.63 -1.14 -1.84 116.57 118.73 1xl1 h LYS 621 Ca 0.15 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1xl1 h LYS 621 Cb 0.28 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1xl1 h LYS 621 CO -0.00 0.90 0.38 1.25 -3.45 0.00 0.00 179.45 178.53 1xl1 h LEU 622 N 1.18 0.85 -0.11 5.20 6.46 -0.63 0.37 115.31 128.63 1xl1 h LEU 622 Ca 0.29 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1xl1 h LEU 622 Cb 0.08 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1xl1 h LEU 622 CO -0.04 0.69 0.06 0.40 -0.62 0.00 0.00 178.44 178.93 1xl1 h ILE 623 N 0.94 1.09 -0.20 4.05 2.04 -0.66 0.13 117.51 124.89 1xl1 h ILE 623 Ca 0.24 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1xl1 h ILE 623 Cb 0.03 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1xl1 h ILE 623 CO -0.04 0.08 -0.25 0.71 0.00 0.00 0.00 178.15 178.65 1xl1 h THR 624 N 0.08 1.25 -0.64 -0.27 1.35 -1.18 -1.75 112.91 111.76 1xl1 h THR 624 Ca 0.04 -1.19 -0.09 0.00 -0.55 0.00 0.00 66.41 64.62 1xl1 h THR 624 Cb 0.08 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1xl1 h THR 624 CO -0.01 0.37 0.07 0.00 -0.25 0.00 0.00 175.52 175.70 1xl1 h ALA 625 N 1.42 0.90 -0.38 6.62 0.00 -0.54 -0.38 119.26 126.91 1xl1 h ALA 625 Ca 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1xl1 h ALA 625 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1xl1 h ALA 625 CO 0.04 0.67 0.10 0.82 0.00 0.00 0.00 179.25 180.87 1xl1 h ILE 626 N 1.00 1.22 -0.87 0.00 2.04 -0.60 -2.78 117.51 117.53 1xl1 h ILE 626 Ca 0.19 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1xl1 h ILE 626 Cb 0.48 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1xl1 h ILE 626 CO 0.02 0.26 0.52 1.23 0.00 0.00 0.00 178.15 180.18 1xl1 h GLY 627 N 0.46 1.26 0.57 5.37 0.00 -0.99 -0.02 103.07 109.71 1xl1 h GLY 627 Ca 0.12 -0.53 0.09 0.00 0.00 0.00 0.00 47.33 47.01 1xl1 h GLY 627 CO 0.00 0.51 0.56 -0.55 0.00 0.00 0.00 176.54 177.06 1xl1 h ASP 628 N 1.20 0.84 0.03 0.19 3.45 -0.81 0.16 116.42 121.48 1xl1 h ASP 628 Ca 0.31 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 1xl1 h ASP 628 Cb -0.04 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.60 1xl1 h ASP 628 CO -0.06 0.49 -0.01 0.58 -1.57 0.00 0.00 179.24 178.66 1xl1 h VAL 629 N 0.95 1.10 -0.61 -1.35 2.07 -1.23 -3.33 116.25 113.85 1xl1 h VAL 629 Ca 0.43 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1xl1 h VAL 629 Cb 0.35 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1xl1 h VAL 629 CO -0.23 0.36 0.26 0.58 0.02 0.00 0.00 177.57 178.55 1xl1 h VAL 630 N -0.96 1.23 0.00 2.57 2.07 -0.92 -2.92 116.25 117.33 1xl1 h VAL 630 Ca -0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1xl1 h VAL 630 Cb 0.62 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1xl1 h VAL 630 CO 0.01 0.28 0.00 0.59 0.02 0.00 0.00 177.57 178.46 1xl1 n ASN 631 N -4.46 0.36 -0.21 0.57 3.02 0.54 -3.13 115.26 111.96 1xl1 n ASN 631 Ca 0.04 0.58 0.02 0.00 -0.03 0.00 0.00 54.58 55.18 1xl1 n ASN 631 Cb 0.16 -0.66 0.05 0.00 -0.61 0.00 0.00 39.78 38.72 1xl1 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1xl1 n HIS 632 N -1.89 0.16 -2.87 3.10 8.25 -1.15 -4.96 115.22 115.86 1xl1 n HIS 632 Ca 0.04 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.56 1xl1 n HIS 632 Cb 0.24 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 1xl1 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xl1 s ASP 633 N -1.02 6.60 0.29 0.41 -1.08 -1.11 -4.93 116.67 115.83 1xl1 s ASP 633 Ca 0.08 0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.57 1xl1 s ASP 633 Cb 0.04 -2.43 0.65 0.00 -1.46 0.00 0.00 42.92 39.72 1xl1 s ASP 633 CO 0.05 -0.83 1.79 -0.65 0.52 0.00 0.00 175.17 176.06 1xl1 h PRO 634 N 8.55 0.79 -0.40 4.34 0.11 -1.93 -2.10 132.00 141.36 1xl1 h PRO 634 Ca -0.24 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1xl1 h PRO 634 Cb 1.08 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1xl1 h PRO 634 CO 0.96 0.52 0.04 0.28 -0.21 0.00 0.00 178.00 179.59 1xl1 h VAL 635 N 0.81 1.20 -0.35 3.15 2.07 -1.98 -2.97 116.25 118.18 1xl1 h VAL 635 Ca 0.54 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1xl1 h VAL 635 Cb 0.74 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1xl1 h VAL 635 CO -0.35 0.28 -0.10 0.58 0.02 0.00 0.00 177.57 178.00 1xl1 h VAL 636 N 0.59 1.28 0.00 2.57 2.07 -1.72 -3.48 116.25 117.56 1xl1 h VAL 636 Ca 0.13 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1xl1 h VAL 636 Cb 0.31 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1xl1 h VAL 636 CO 0.01 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1xl1 n GLY 637 N -0.15 1.97 1.38 2.17 0.00 -1.13 -2.35 105.19 107.10 1xl1 n GLY 637 Ca -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1xl1 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xl1 n ASP 638 N 1.26 4.02 0.11 1.61 5.75 -1.26 -4.22 116.55 123.81 1xl1 n ASP 638 Ca 0.00 -2.57 -0.02 0.00 -0.01 0.00 0.00 54.79 52.19 1xl1 n ASP 638 Cb 0.00 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.45 1xl1 n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1xl1 h ARG 639 N 2.63 0.00 -2.91 0.11 3.08 -1.81 -3.43 114.38 112.06 1xl1 h ARG 639 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1xl1 h ARG 639 Cb 1.42 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.17 1xl1 h ARG 639 CO 0.31 0.72 -0.48 -1.17 -1.07 0.00 0.00 179.97 178.27 1xl1 s LEU 640 N -6.59 0.03 -0.03 3.04 2.96 -1.26 -1.04 118.68 115.80 1xl1 s LEU 640 Ca 0.03 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1xl1 s LEU 640 Cb 0.09 0.79 0.00 0.00 0.50 0.00 0.00 46.19 47.57 1xl1 s LEU 640 CO 0.78 -0.20 -0.10 -0.13 -1.32 0.00 0.00 176.35 175.38 1xl1 s ARG 641 N 1.80 1.09 -0.26 1.98 1.81 -0.71 -4.65 118.95 120.01 1xl1 s ARG 641 Ca -0.05 -0.33 -0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1xl1 s ARG 641 Cb -0.11 -1.00 0.04 0.00 -0.45 0.00 0.00 34.95 33.43 1xl1 s ARG 641 CO -0.09 0.11 -0.06 0.08 -0.68 0.00 0.00 175.30 174.65 1xl1 s VAL 642 N 0.26 2.66 -0.04 3.52 1.01 -1.26 0.36 120.40 126.92 1xl1 s VAL 642 Ca -0.05 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 60.69 1xl1 s VAL 642 Cb -0.10 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1xl1 s VAL 642 CO 0.01 0.06 -0.25 -0.63 0.00 0.00 0.00 175.10 174.28 1xl1 s ILE 643 N 1.24 2.10 -0.36 2.22 1.09 0.25 -4.55 121.20 123.19 1xl1 s ILE 643 Ca -0.04 -1.08 -0.11 0.00 -1.10 0.00 0.00 60.65 58.32 1xl1 s ILE 643 Cb -0.18 -1.74 0.01 0.00 -1.06 0.00 0.00 42.46 39.49 1xl1 s ILE 643 CO -0.04 0.58 0.21 0.12 -0.10 0.00 0.00 174.94 175.71 1xl1 s PHE 644 N -0.44 3.22 -0.35 3.97 2.19 -1.26 -1.31 117.98 124.01 1xl1 s PHE 644 Ca 0.05 -0.73 -0.29 0.00 0.33 0.00 0.00 56.93 56.29 1xl1 s PHE 644 Cb -0.12 -2.44 -0.00 0.00 -1.31 0.00 0.00 43.02 39.15 1xl1 s PHE 644 CO 0.01 -0.56 1.50 -0.51 1.83 0.00 0.00 175.22 177.48 1xl1 s LEU 645 N 1.61 3.67 0.29 6.12 1.02 -0.20 -4.96 118.68 126.23 1xl1 s LEU 645 Ca 0.04 1.11 -0.29 0.00 0.02 0.00 0.00 54.13 55.01 1xl1 s LEU 645 Cb -0.18 -3.54 -0.09 0.00 0.02 0.00 0.00 46.19 42.40 1xl1 s LEU 645 CO 0.07 -1.39 1.08 -0.70 0.02 0.00 0.00 176.35 175.43 1xl1 s GLU 646 N 4.89 4.59 -1.31 1.70 2.12 -1.26 -3.96 118.70 125.47 1xl1 s GLU 646 Ca 0.65 1.73 -0.01 0.00 0.36 0.00 0.00 54.97 57.70 1xl1 s GLU 646 Cb -0.18 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.12 1xl1 s GLU 646 CO 0.31 0.19 0.77 -1.71 -0.54 0.00 0.00 175.26 174.28 1xl1 n ASN 647 N 1.04 -1.66 -4.71 -1.70 5.15 -1.25 -4.88 115.26 107.25 1xl1 n ASN 647 Ca -0.00 -0.78 -0.43 0.00 -0.60 0.00 0.00 54.58 52.77 1xl1 n ASN 647 Cb 0.46 -4.20 -0.03 0.00 -0.53 0.00 0.00 39.78 35.47 1xl1 n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xl1 n TYR 648 N -4.30 2.67 -3.79 1.20 9.36 -1.26 -4.87 117.16 116.17 1xl1 n TYR 648 Ca -0.27 -0.00 -0.09 0.00 3.32 0.00 0.00 57.90 60.86 1xl1 n TYR 648 Cb 0.66 -2.68 -0.00 0.00 -0.63 0.00 0.00 39.34 36.69 1xl1 n TYR 648 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1xl1 n ARG 649 N 4.47 0.73 -0.07 2.98 1.85 -1.26 -4.71 116.66 120.65 1xl1 n ARG 649 Ca 0.17 -2.01 -0.08 0.00 -1.00 0.00 0.00 57.85 54.93 1xl1 n ARG 649 Cb 0.35 2.18 -0.01 0.00 -1.05 0.00 0.00 32.46 33.93 1xl1 n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1xl1 h VAL 650 N 1.80 0.98 -0.33 8.89 2.07 -1.97 -0.59 116.25 127.11 1xl1 h VAL 650 Ca -0.24 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1xl1 h VAL 650 Cb 0.97 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1xl1 h VAL 650 CO 0.32 0.05 0.17 0.77 0.02 0.00 0.00 177.57 178.89 1xl1 h SER 651 N 0.26 0.39 0.52 0.57 4.64 -1.97 -1.33 113.55 116.63 1xl1 h SER 651 Ca 0.11 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.20 1xl1 h SER 651 Cb 0.04 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1xl1 h SER 651 CO -0.08 0.33 -0.91 0.25 -0.87 0.00 0.00 176.83 175.54 1xl1 h LEU 652 N 0.45 0.34 -0.91 5.97 5.85 -1.79 -3.11 115.31 122.11 1xl1 h LEU 652 Ca 0.12 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1xl1 h LEU 652 Cb 0.03 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1xl1 h LEU 652 CO -0.02 1.09 0.51 0.00 -0.34 0.00 0.00 178.44 179.68 1xl1 h ALA 653 N 0.89 1.16 0.00 1.25 0.00 -0.12 -0.97 119.26 121.47 1xl1 h ALA 653 Ca -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xl1 h ALA 653 Cb 1.55 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xl1 h ALA 653 CO 0.15 0.65 -0.02 0.93 0.00 0.00 0.00 179.25 180.96 1xl1 h GLU 654 N 1.26 0.00 0.04 0.00 5.08 -1.22 -1.83 114.58 117.91 1xl1 h GLU 654 Ca 0.32 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.33 1xl1 h GLU 654 Cb -0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1xl1 h GLU 654 CO -0.05 0.02 -1.96 1.63 -1.00 0.00 0.00 179.01 177.65 1xl1 n LYS 655 N -3.53 0.64 0.09 2.33 5.02 -0.53 -4.47 118.16 117.71 1xl1 n LYS 655 Ca -0.03 0.35 -0.14 0.00 -2.02 0.00 0.00 58.31 56.47 1xl1 n LYS 655 Cb 0.11 -1.64 -0.11 0.00 -0.02 0.00 0.00 35.03 33.36 1xl1 n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1xl1 h VAL 656 N -0.52 1.50 -0.52 -0.18 3.04 -1.18 -3.33 116.25 115.07 1xl1 h VAL 656 Ca -0.49 -2.97 -0.01 0.00 -1.01 0.00 0.00 66.70 62.23 1xl1 h VAL 656 Cb 1.68 2.82 -0.02 0.00 -2.01 0.00 0.00 31.29 33.76 1xl1 h VAL 656 CO -0.15 0.87 0.29 0.40 -1.01 0.00 0.00 177.57 177.97 1xl1 h ILE 657 N 0.09 1.17 0.00 3.17 2.04 -1.56 -1.63 117.51 120.79 1xl1 h ILE 657 Ca -0.11 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1xl1 h ILE 657 Cb 1.86 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1xl1 h ILE 657 CO 0.19 0.18 0.00 -0.65 0.00 0.00 0.00 178.15 177.87 1xl1 h PRO 658 N 0.69 0.00 -0.05 2.37 0.11 -1.78 -2.21 132.00 131.13 1xl1 h PRO 658 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xl1 h PRO 658 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1xl1 h PRO 658 CO -0.03 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.76 1xl1 n ALA 659 N -2.06 2.52 -2.04 -0.75 0.00 -0.66 -4.75 120.51 112.76 1xl1 n ALA 659 Ca -0.01 -0.58 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 1xl1 n ALA 659 Cb 0.19 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1xl1 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xl1 s ALA 660 N -1.97 3.32 -0.20 0.00 0.00 -0.83 -4.61 121.76 117.47 1xl1 s ALA 660 Ca 0.33 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1xl1 s ALA 660 Cb 0.20 -2.89 -0.12 0.00 0.00 0.00 0.00 23.12 20.32 1xl1 s ALA 660 CO 0.32 0.29 -0.20 -0.25 0.00 0.00 0.00 175.76 175.92 1xl1 n ASP 661 N 0.22 2.26 -4.18 0.00 8.00 -0.72 -4.16 116.55 117.97 1xl1 n ASP 661 Ca 0.01 -0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.16 1xl1 n ASP 661 Cb 0.52 -0.38 -0.17 0.00 -0.02 0.00 0.00 41.12 41.07 1xl1 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xl1 s LEU 662 N -6.37 2.07 -0.27 0.64 0.20 -0.51 -0.06 118.68 114.39 1xl1 s LEU 662 Ca -0.27 -0.57 -0.09 0.00 0.69 0.00 0.00 54.13 53.88 1xl1 s LEU 662 Cb 0.08 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.40 1xl1 s LEU 662 CO 0.44 0.11 0.13 -0.55 -0.29 0.00 0.00 176.35 176.19 1xl1 s SER 663 N 0.64 5.60 -0.45 3.68 0.15 0.86 -1.80 113.70 122.38 1xl1 s SER 663 Ca -0.12 -0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.22 1xl1 s SER 663 Cb -0.16 -2.03 0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1xl1 s SER 663 CO 0.02 -0.04 0.63 -1.61 1.20 0.00 0.00 173.24 173.44 1xl1 s GLU 664 N 1.69 3.25 -0.56 5.44 0.41 -0.88 -1.49 118.70 126.57 1xl1 s GLU 664 Ca 0.07 -0.45 0.06 0.00 -0.41 0.00 0.00 54.97 54.24 1xl1 s GLU 664 Cb -0.16 -3.97 0.21 0.00 -1.78 0.00 0.00 34.13 28.44 1xl1 s GLU 664 CO 0.07 -1.03 0.55 1.04 -0.49 0.00 0.00 175.26 175.40 1xl1 n GLN 665 N 6.24 1.49 -1.15 1.61 1.13 -0.78 -4.79 117.38 121.13 1xl1 n GLN 665 Ca -0.02 -4.02 -0.14 0.00 -1.94 0.00 0.00 57.00 50.88 1xl1 n GLN 665 Cb 0.48 -1.92 0.15 0.00 0.11 0.00 0.00 30.24 29.05 1xl1 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1xl1 n ILE 666 N 1.65 2.74 -1.75 5.09 -5.35 -1.26 -2.32 119.36 118.15 1xl1 n ILE 666 Ca 0.25 -3.03 -0.34 0.00 -0.27 0.00 0.00 62.75 59.36 1xl1 n ILE 666 Cb 0.43 -0.60 0.06 0.00 -1.74 0.00 0.00 39.64 37.78 1xl1 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xl1 s SER 667 N -2.59 4.87 0.21 7.28 1.04 -1.26 -4.63 113.70 118.62 1xl1 s SER 667 Ca 0.49 2.22 -0.31 0.00 0.48 0.00 0.00 55.95 58.83 1xl1 s SER 667 Cb 0.43 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.87 1xl1 s SER 667 CO 0.01 -1.80 1.52 -0.89 0.98 0.00 0.00 173.24 173.06 1xl1 s THR 668 N -2.01 2.58 0.03 2.02 2.01 -1.14 -4.66 115.64 114.46 1xl1 s THR 668 Ca 0.72 0.45 -0.38 0.00 0.31 0.00 0.00 61.69 62.79 1xl1 s THR 668 Cb -0.26 -3.29 -0.17 0.00 0.01 0.00 0.00 72.50 68.80 1xl1 s THR 668 CO 0.40 0.05 1.35 0.00 -0.69 0.00 0.00 174.62 175.73 1xl1 n ALA 669 N 3.18 -1.25 -0.18 7.40 0.00 -1.26 -1.89 120.51 126.51 1xl1 n ALA 669 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1xl1 n ALA 669 Cb 0.39 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1xl1 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xl1 n GLY 670 N 2.57 0.59 0.07 0.00 0.00 -1.26 -4.71 105.19 102.46 1xl1 n GLY 670 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1xl1 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl1 n THR 671 N -2.00 0.93 -2.91 2.61 -2.24 -0.79 -4.85 114.28 105.03 1xl1 n THR 671 Ca 0.00 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1xl1 n THR 671 Cb 0.00 -0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 67.35 1xl1 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xl1 s GLU 672 N -2.33 3.15 0.26 -0.78 2.56 -1.26 -4.75 118.70 115.55 1xl1 s GLU 672 Ca -0.13 -0.78 -0.05 0.00 0.00 0.00 0.00 54.97 54.00 1xl1 s GLU 672 Cb 0.05 -4.18 0.50 0.00 2.00 0.00 0.00 34.13 32.49 1xl1 s GLU 672 CO 0.47 -1.66 1.61 0.00 -0.56 0.00 0.00 175.26 175.13 1xl1 h ALA 673 N 9.42 0.84 0.00 6.30 0.00 -1.89 -2.87 119.26 131.05 1xl1 h ALA 673 Ca -0.28 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xl1 h ALA 673 Cb 1.08 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xl1 h ALA 673 CO 1.13 -0.45 0.00 0.45 0.00 0.00 0.00 179.25 180.38 1xl1 n SER 674 N -5.42 -1.13 0.00 0.00 2.88 -1.26 -4.26 113.62 104.43 1xl1 n SER 674 Ca 0.16 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1xl1 n SER 674 Cb 0.53 1.22 0.00 0.00 -0.75 0.00 0.00 64.21 65.22 1xl1 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xl1 n GLY 675 N 0.73 -1.47 0.00 0.46 0.00 -1.26 -1.20 105.19 102.44 1xl1 n GLY 675 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1xl1 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xl1 n THR 676 N -0.59 0.00 -0.29 2.61 -2.24 -1.26 -4.72 114.28 107.79 1xl1 n THR 676 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1xl1 n THR 676 Cb 0.00 -0.04 0.22 0.00 -2.10 0.00 0.00 70.33 68.41 1xl1 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xl1 h GLY 677 N 0.00 1.25 0.38 3.38 0.00 -1.94 -1.38 103.07 104.76 1xl1 h GLY 677 Ca 0.00 -0.43 0.13 0.00 0.00 0.00 0.00 47.33 47.03 1xl1 h GLY 677 CO 0.00 0.37 0.59 3.45 0.00 0.00 0.00 176.54 180.95 1xl1 h ASN 678 N 1.09 0.83 -0.29 0.19 -0.00 -1.94 -1.35 115.58 114.12 1xl1 h ASN 678 Ca 0.35 0.06 -0.13 0.00 -0.00 0.00 0.00 56.30 56.58 1xl1 h ASN 678 Cb 0.03 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 1xl1 h ASN 678 CO -0.10 0.41 -0.29 0.24 -0.00 0.00 0.00 177.43 177.69 1xl1 h MET 679 N 0.89 0.80 -0.52 4.14 2.86 -1.58 -2.53 114.93 118.99 1xl1 h MET 679 Ca 0.50 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1xl1 h MET 679 Cb 0.57 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1xl1 h MET 679 CO -0.30 0.99 0.29 0.87 1.06 0.00 0.00 176.91 179.82 1xl1 h LYS 680 N 0.68 0.73 -0.61 1.72 1.57 -0.93 -1.69 116.57 118.04 1xl1 h LYS 680 Ca 0.08 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xl1 h LYS 680 Cb 0.83 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1xl1 h LYS 680 CO 0.07 0.56 0.12 0.74 -0.57 0.00 0.00 179.45 180.37 1xl1 h PHE 681 N 0.70 1.03 -0.55 -1.35 0.04 -1.32 -2.50 116.94 112.99 1xl1 h PHE 681 Ca 0.18 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 1xl1 h PHE 681 Cb 0.04 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 1xl1 h PHE 681 CO -0.02 0.87 -0.06 1.98 -0.60 0.00 0.00 178.31 180.48 1xl1 h MET 682 N 0.93 1.00 0.00 1.51 4.05 -1.17 -1.83 114.93 119.42 1xl1 h MET 682 Ca 0.19 -0.33 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 1xl1 h MET 682 Cb 0.38 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1xl1 h MET 682 CO 0.01 1.01 -0.13 1.25 0.23 0.00 0.00 176.91 179.27 1xl1 h LEU 683 N 0.90 0.00 -3.29 3.39 5.85 -1.16 -3.25 115.31 117.75 1xl1 h LEU 683 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1xl1 h LEU 683 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1xl1 h LEU 683 CO 0.04 0.13 0.00 0.59 -0.34 0.00 0.00 178.44 178.86 1xl1 n ASN 684 N -3.25 4.89 0.00 1.25 3.02 -0.95 -4.92 115.26 115.30 1xl1 n ASN 684 Ca 0.01 -2.68 0.00 0.00 -0.03 0.00 0.00 54.58 51.88 1xl1 n ASN 684 Cb 0.41 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1xl1 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xl1 n GLY 685 N 0.68 0.72 3.66 7.41 0.00 -1.17 -4.79 105.19 111.70 1xl1 n GLY 685 Ca 0.25 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1xl1 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl1 s ALA 686 N -2.00 3.22 0.33 4.61 0.00 -0.71 -4.79 121.76 122.43 1xl1 s ALA 686 Ca 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1xl1 s ALA 686 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1xl1 s ALA 686 CO 0.00 0.68 0.61 -0.51 0.00 0.00 0.00 175.76 176.54 1xl1 s LEU 687 N -2.16 3.98 -0.12 0.00 1.43 0.91 -4.40 118.68 118.32 1xl1 s LEU 687 Ca 0.24 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1xl1 s LEU 687 Cb -0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1xl1 s LEU 687 CO 0.16 -0.27 -0.10 -0.89 0.23 0.00 0.00 176.35 175.48 1xl1 s THR 688 N -2.21 3.37 -0.23 5.49 2.01 -1.26 -0.10 115.64 122.71 1xl1 s THR 688 Ca 0.45 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 1xl1 s THR 688 Cb -0.10 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.98 1xl1 s THR 688 CO 0.32 0.53 -0.05 -0.51 -0.69 0.00 0.00 174.62 174.22 1xl1 s ILE 689 N 0.15 3.20 0.18 1.82 2.07 -0.55 -1.30 121.20 126.76 1xl1 s ILE 689 Ca -0.05 -0.64 -0.24 0.00 -1.41 0.00 0.00 60.65 58.31 1xl1 s ILE 689 Cb -0.14 -2.49 0.06 0.00 0.13 0.00 0.00 42.46 40.02 1xl1 s ILE 689 CO 0.04 0.37 0.95 -0.83 -1.91 0.00 0.00 174.94 173.56 1xl1 s GLY 690 N 1.44 -0.12 0.56 1.50 0.00 -0.39 -1.87 107.32 108.43 1xl1 s GLY 690 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.68 1xl1 s GLY 690 CO -0.04 0.42 0.85 -0.51 0.00 0.00 0.00 173.10 173.82 1xl1 s THR 691 N -3.05 3.61 -1.38 0.90 -4.23 -0.98 -2.54 115.64 107.97 1xl1 s THR 691 Ca 0.14 -0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.36 1xl1 s THR 691 Cb -0.02 -3.41 0.08 0.00 1.34 0.00 0.00 72.50 70.49 1xl1 s THR 691 CO 0.04 -0.39 2.02 0.23 -0.54 0.00 0.00 174.62 175.98 1xl1 n MET 692 N -2.48 3.12 -4.19 3.99 2.81 -1.26 -4.67 117.12 114.44 1xl1 n MET 692 Ca 0.04 -3.00 -0.19 0.00 -1.81 0.00 0.00 57.70 52.74 1xl1 n MET 692 Cb 0.58 -3.22 -0.12 0.00 -0.71 0.00 0.00 33.22 29.74 1xl1 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1xl1 s ASP 693 N 2.80 1.84 0.39 7.83 3.68 -1.26 -4.63 116.67 127.32 1xl1 s ASP 693 Ca 0.46 -0.63 0.00 0.00 2.13 0.00 0.00 52.55 54.51 1xl1 s ASP 693 Cb 0.10 -0.07 0.00 0.00 -1.45 0.00 0.00 42.92 41.51 1xl1 s ASP 693 CO -0.04 -0.05 0.00 0.61 0.13 0.00 0.00 175.17 175.82 1xl1 n GLY 694 N 1.25 1.93 0.06 2.66 0.00 -1.08 -1.33 105.19 108.67 1xl1 n GLY 694 Ca -0.21 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.60 1xl1 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xl1 n ALA 695 N 6.59 1.67 -0.36 4.61 0.00 -0.34 -2.87 120.51 129.81 1xl1 n ALA 695 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1xl1 n ALA 695 Cb 0.00 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.40 1xl1 n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xl1 h ASN 696 N 0.00 0.91 -0.54 0.00 4.21 -1.41 0.27 115.58 119.01 1xl1 h ASN 696 Ca 0.00 0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.60 1xl1 h ASN 696 Cb 0.31 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 1xl1 h ASN 696 CO 0.00 0.46 0.30 0.58 -1.29 0.00 0.00 177.43 177.48 1xl1 h VAL 697 N 0.96 0.99 -0.00 2.81 2.07 -1.61 -0.32 116.25 121.15 1xl1 h VAL 697 Ca 0.51 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.66 1xl1 h VAL 697 Cb 0.55 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1xl1 h VAL 697 CO -0.28 0.11 -0.77 -0.33 0.02 0.00 0.00 177.57 176.32 1xl1 h GLU 698 N 0.58 0.05 -0.37 1.57 5.08 -1.48 -1.73 114.58 118.28 1xl1 h GLU 698 Ca 0.23 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1xl1 h GLU 698 Cb 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xl1 h GLU 698 CO -0.14 0.79 0.04 0.52 -1.00 0.00 0.00 179.01 179.23 1xl1 h MET 699 N 0.03 0.62 -0.50 2.33 2.86 -0.46 0.64 114.93 120.45 1xl1 h MET 699 Ca -0.01 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1xl1 h MET 699 Cb 1.36 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 1xl1 h MET 699 CO 0.10 0.70 0.02 0.00 1.06 0.00 0.00 176.91 178.79 1xl1 h ALA 700 N 0.90 1.10 -0.57 6.32 0.00 -1.04 -1.19 119.26 124.77 1xl1 h ALA 700 Ca 0.11 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1xl1 h ALA 700 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xl1 h ALA 700 CO 0.01 0.58 -0.00 1.49 0.00 0.00 0.00 179.25 181.33 1xl1 h GLU 701 N 0.77 0.99 -0.14 0.00 4.81 -0.94 0.48 114.58 120.55 1xl1 h GLU 701 Ca 0.15 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 58.92 1xl1 h GLU 701 Cb 0.44 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1xl1 h GLU 701 CO 0.02 0.97 -0.55 0.93 -0.73 0.00 0.00 179.01 179.65 1xl1 h GLU 702 N 0.91 0.61 0.00 1.92 4.39 -0.54 -3.31 114.58 118.56 1xl1 h GLU 702 Ca 0.17 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.35 1xl1 h GLU 702 Cb 0.53 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1xl1 h GLU 702 CO 0.03 1.10 -0.77 0.00 -1.16 0.00 0.00 179.01 178.20 1xl1 h ALA 703 N 0.52 0.67 0.00 3.43 0.00 -1.21 -3.46 119.26 119.21 1xl1 h ALA 703 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xl1 h ALA 703 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xl1 h ALA 703 CO 0.12 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1xl1 n GLY 704 N 1.20 1.80 0.33 0.00 0.00 0.17 -4.58 105.19 104.11 1xl1 n GLY 704 Ca -0.01 -1.40 0.17 0.00 0.00 0.00 0.00 46.02 44.78 1xl1 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xl1 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.85 0.03 114.58 119.45 1xl1 h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xl1 h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xl1 h GLU 705 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1xl1 n GLU 706 N -3.83 0.10 -0.48 2.33 4.71 -1.26 -2.35 120.64 119.86 1xl1 n GLU 706 Ca 0.01 0.27 0.08 0.00 -0.01 0.00 0.00 57.16 57.51 1xl1 n GLU 706 Cb 0.31 -1.67 0.26 0.00 -1.01 0.00 0.00 31.44 29.34 1xl1 n GLU 706 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1xl1 n ASN 707 N -1.85 3.84 -3.91 1.62 3.02 -0.00 -4.95 115.26 113.02 1xl1 n ASN 707 Ca 0.04 -3.06 -0.12 0.00 -0.03 0.00 0.00 54.58 51.40 1xl1 n ASN 707 Cb 0.25 -0.56 -0.13 0.00 -0.61 0.00 0.00 39.78 38.73 1xl1 n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xl1 s PHE 708 N -2.86 0.15 -1.06 3.10 5.36 -0.99 -4.80 117.98 116.88 1xl1 s PHE 708 Ca 0.43 -0.13 -0.12 0.00 -0.96 0.00 0.00 56.93 56.15 1xl1 s PHE 708 Cb 0.35 -0.10 0.23 0.00 -0.34 0.00 0.00 43.02 43.15 1xl1 s PHE 708 CO 0.08 -0.04 1.12 -0.06 -1.46 0.00 0.00 175.22 174.87 1xl1 s PHE 709 N -0.34 3.87 0.14 10.12 0.08 -0.42 -4.92 117.98 126.51 1xl1 s PHE 709 Ca -0.03 -2.29 -0.15 0.00 0.12 0.00 0.00 56.93 54.59 1xl1 s PHE 709 Cb -0.03 -3.99 -0.07 0.00 -0.57 0.00 0.00 43.02 38.36 1xl1 s PHE 709 CO -0.00 -1.12 0.55 0.42 -0.10 0.00 0.00 175.22 174.97 1xl1 s ILE 710 N 0.10 4.84 0.33 0.64 1.09 -1.26 -1.26 121.20 125.69 1xl1 s ILE 710 Ca 0.31 0.87 -0.17 0.00 -1.10 0.00 0.00 60.65 60.56 1xl1 s ILE 710 Cb -0.08 -3.75 0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1xl1 s ILE 710 CO -0.06 0.27 0.73 0.72 -0.10 0.00 0.00 174.94 176.50 1xl1 s PHE 711 N -1.43 0.04 0.05 3.97 -0.71 -1.05 -4.95 117.98 113.89 1xl1 s PHE 711 Ca 0.37 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.68 1xl1 s PHE 711 Cb -0.15 0.71 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 1xl1 s PHE 711 CO 0.19 -1.38 0.00 0.41 -1.34 0.00 0.00 175.22 173.10 1xl1 n GLY 712 N -0.49 -1.59 3.76 1.99 0.00 -1.26 -4.27 105.19 103.33 1xl1 n GLY 712 Ca -0.06 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1xl1 n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xl1 s MET 713 N -1.51 3.40 0.55 1.61 -1.94 -1.26 -4.89 119.30 115.25 1xl1 s MET 713 Ca 0.00 1.99 0.04 0.00 -1.71 0.00 0.00 55.69 56.00 1xl1 s MET 713 Cb 0.00 -2.29 0.05 0.00 2.01 0.00 0.00 34.83 34.60 1xl1 s MET 713 CO 0.00 -0.91 0.76 1.03 -0.01 0.00 0.00 175.02 175.89 1xl1 s ARG 714 N -2.86 2.43 0.26 2.03 1.81 -1.26 -4.46 118.95 116.90 1xl1 s ARG 714 Ca 0.69 -1.06 -0.02 0.00 -1.72 0.00 0.00 55.73 53.61 1xl1 s ARG 714 Cb -0.34 -2.55 0.51 0.00 -0.45 0.00 0.00 34.95 32.12 1xl1 s ARG 714 CO 0.40 -0.75 1.73 0.28 -0.68 0.00 0.00 175.30 176.29 1xl1 h VAL 715 N 0.12 0.65 -0.88 3.52 2.07 -1.84 -1.20 116.25 118.69 1xl1 h VAL 715 Ca -0.39 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1xl1 h VAL 715 Cb 1.29 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1xl1 h VAL 715 CO 0.47 0.09 0.54 -0.33 0.02 0.00 0.00 177.57 178.35 1xl1 h GLU 716 N 0.48 1.18 -0.62 1.57 3.07 -1.96 -2.00 114.58 116.30 1xl1 h GLU 716 Ca 0.45 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 59.13 1xl1 h GLU 716 Cb 0.69 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1xl1 h GLU 716 CO -0.41 0.82 0.09 -0.44 -1.40 0.00 0.00 179.01 177.67 1xl1 h ASP 717 N 1.20 0.99 -0.54 1.42 5.19 -1.60 -0.84 116.42 122.24 1xl1 h ASP 717 Ca 0.32 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1xl1 h ASP 717 Cb -0.06 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.16 1xl1 h ASP 717 CO -0.06 1.01 0.30 0.58 -3.12 0.00 0.00 179.24 177.95 1xl1 h VAL 718 N 0.94 1.18 -0.74 -1.35 2.07 -0.94 -1.14 116.25 116.28 1xl1 h VAL 718 Ca 0.19 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1xl1 h VAL 718 Cb 0.44 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1xl1 h VAL 718 CO 0.01 0.19 0.38 0.44 0.02 0.00 0.00 177.57 178.61 1xl1 h ASP 719 N 0.73 0.94 -0.76 0.57 3.32 -1.07 -0.97 116.42 119.18 1xl1 h ASP 719 Ca 0.19 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xl1 h ASP 719 Cb 0.03 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1xl1 h ASP 719 CO -0.03 0.79 0.49 0.03 -1.72 0.00 0.00 179.24 178.80 1xl1 h ARG 720 N 1.02 1.00 -0.57 3.56 3.08 -0.75 -1.36 114.38 120.37 1xl1 h ARG 720 Ca 0.26 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 1xl1 h ARG 720 Cb 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1xl1 h ARG 720 CO -0.04 0.68 0.06 1.25 -1.07 0.00 0.00 179.97 180.85 1xl1 h LEU 721 N 1.03 0.90 -0.73 3.04 6.46 -0.73 -2.53 115.31 122.75 1xl1 h LEU 721 Ca 0.28 -0.21 -0.12 0.00 -0.12 0.00 0.00 57.88 57.70 1xl1 h LEU 721 Cb -0.10 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.58 1xl1 h LEU 721 CO -0.06 0.92 -0.36 0.44 -0.62 0.00 0.00 178.44 178.77 1xl1 h ASP 722 N 0.88 0.59 -0.27 1.25 3.32 -0.63 0.48 116.42 122.04 1xl1 h ASP 722 Ca 0.17 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1xl1 h ASP 722 Cb 0.43 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1xl1 h ASP 722 CO 0.01 0.90 -0.14 1.56 -1.72 0.00 0.00 179.24 179.86 1xl1 h GLN 723 N 0.47 0.69 0.03 3.56 4.20 -1.11 -2.96 115.11 120.00 1xl1 h GLN 723 Ca 0.05 -0.23 -0.24 0.00 0.06 0.00 0.00 58.65 58.28 1xl1 h GLN 723 Cb 0.85 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1xl1 h GLN 723 CO 0.07 0.80 -1.21 -0.09 -0.67 0.00 0.00 178.83 177.73 1xl1 h ARG 724 N 0.62 0.07 0.00 1.46 2.43 -1.26 -3.50 114.38 114.21 1xl1 h ARG 724 Ca 0.10 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1xl1 h ARG 724 Cb 0.59 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1xl1 h ARG 724 CO 0.04 0.97 0.00 0.41 -1.51 0.00 0.00 179.97 179.88 1xl1 n GLY 725 N 1.45 1.76 3.64 2.80 0.00 0.17 -5.01 105.19 110.00 1xl1 n GLY 725 Ca -0.06 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1xl1 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xl1 s TYR 726 N 0.00 3.17 -0.35 1.61 5.04 -1.20 -4.88 117.35 120.74 1xl1 s TYR 726 Ca 0.00 1.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.91 1xl1 s TYR 726 Cb 0.00 -3.60 0.10 0.00 0.35 0.00 0.00 41.96 38.81 1xl1 s TYR 726 CO 0.00 -0.76 0.07 1.21 -1.34 0.00 0.00 175.55 174.73 1xl1 s ASN 727 N 1.60 4.80 0.36 4.32 3.84 -1.26 -4.98 114.94 123.62 1xl1 s ASN 727 Ca 0.46 -2.17 0.06 0.00 0.21 0.00 0.00 52.86 51.42 1xl1 s ASN 727 Cb -0.13 -1.65 0.73 0.00 -0.55 0.00 0.00 41.25 39.65 1xl1 s ASN 727 CO 0.13 -0.39 1.94 0.00 -2.79 0.00 0.00 177.10 176.00 1xl1 h ALA 728 N 7.63 1.70 -1.01 1.71 0.00 -1.87 -2.58 119.26 124.84 1xl1 h ALA 728 Ca -0.05 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.07 1xl1 h ALA 728 Cb 1.02 -0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1xl1 h ALA 728 CO 0.54 0.17 0.60 0.37 0.00 0.00 0.00 179.25 180.93 1xl1 h GLN 729 N 0.77 0.61 -0.63 0.00 5.75 -1.92 -0.68 115.11 119.01 1xl1 h GLN 729 Ca 0.34 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.87 1xl1 h GLN 729 Cb 0.31 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 1xl1 h GLN 729 CO -0.12 0.40 0.32 1.49 -2.65 0.00 0.00 178.83 178.27 1xl1 h GLU 730 N 0.63 0.56 -0.32 1.69 4.81 -1.88 0.17 114.58 120.22 1xl1 h GLU 730 Ca 0.62 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.67 1xl1 h GLU 730 Cb 1.14 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1xl1 h GLU 730 CO -0.44 0.37 -0.39 1.88 -0.73 0.00 0.00 179.01 179.70 1xl1 h TYR 731 N 0.57 0.92 -0.88 0.92 -1.99 -1.29 -2.37 116.97 112.84 1xl1 h TYR 731 Ca 0.30 -0.27 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1xl1 h TYR 731 Cb 0.26 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 1xl1 h TYR 731 CO -0.11 1.03 0.46 -0.92 -0.00 0.00 0.00 178.16 178.63 1xl1 h TYR 732 N 0.63 1.24 0.00 4.88 5.03 -0.83 -1.62 116.97 126.30 1xl1 h TYR 732 Ca 0.05 -0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.19 1xl1 h TYR 732 Cb 0.94 -0.39 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 1xl1 h TYR 732 CO 0.05 0.87 -0.62 -0.44 -1.32 0.00 0.00 178.16 176.70 1xl1 h ASP 733 N 1.25 0.00 -0.02 -2.11 3.32 -0.56 -3.31 116.42 114.98 1xl1 h ASP 733 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xl1 h ASP 733 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1xl1 h ASP 733 CO -0.05 0.62 -0.39 0.54 -1.72 0.00 0.00 179.24 178.24 1xl1 n ARG 734 N -3.72 1.41 -3.85 3.56 1.74 -0.91 -4.80 116.66 110.09 1xl1 n ARG 734 Ca -0.01 -1.14 -0.30 0.00 -0.77 0.00 0.00 57.85 55.62 1xl1 n ARG 734 Cb 0.63 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 30.46 1xl1 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xl1 s ILE 735 N -2.36 1.65 0.22 0.55 1.01 -0.63 -5.01 121.20 116.63 1xl1 s ILE 735 Ca 0.20 -2.17 -0.10 0.00 0.00 0.00 0.00 60.65 58.58 1xl1 s ILE 735 Cb 0.18 -2.20 0.22 0.00 0.01 0.00 0.00 42.46 40.66 1xl1 s ILE 735 CO 0.52 -0.71 1.66 -0.65 0.00 0.00 0.00 174.94 175.76 1xl1 h PRO 736 N 7.47 0.12 -0.94 2.79 0.11 -1.87 -0.63 132.00 139.06 1xl1 h PRO 736 Ca -0.07 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1xl1 h PRO 736 Cb 0.98 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 1xl1 h PRO 736 CO 0.52 0.08 0.57 0.93 -0.21 0.00 0.00 178.00 179.88 1xl1 h GLU 737 N 0.12 1.27 -0.45 1.05 5.08 -1.95 -0.31 114.58 119.39 1xl1 h GLU 737 Ca 0.34 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1xl1 h GLU 737 Cb 0.57 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1xl1 h GLU 737 CO -0.55 0.88 -0.01 1.25 -1.00 0.00 0.00 179.01 179.58 1xl1 h LEU 738 N 1.29 0.79 -0.46 1.33 5.85 -1.64 -2.41 115.31 120.06 1xl1 h LEU 738 Ca 0.34 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1xl1 h LEU 738 Cb -0.06 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1xl1 h LEU 738 CO -0.06 0.91 0.26 -0.09 -0.34 0.00 0.00 178.44 179.12 1xl1 h ARG 739 N 0.64 0.52 -0.66 1.25 2.43 -0.68 -2.07 114.38 115.81 1xl1 h ARG 739 Ca 0.13 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1xl1 h ARG 739 Cb 0.51 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1xl1 h ARG 739 CO 0.03 0.34 0.38 0.37 -1.51 0.00 0.00 179.97 179.58 1xl1 h GLN 740 N 0.53 0.69 -0.10 0.20 4.15 -0.87 -1.19 115.11 118.53 1xl1 h GLN 740 Ca 0.18 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 1xl1 h GLN 740 Cb 0.03 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 1xl1 h GLN 740 CO -0.09 0.46 0.06 0.82 -1.93 0.00 0.00 178.83 178.15 1xl1 h ILE 741 N 0.72 1.08 -0.84 2.39 2.04 -0.95 -0.31 117.51 121.64 1xl1 h ILE 741 Ca 0.29 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1xl1 h ILE 741 Cb 0.14 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1xl1 h ILE 741 CO -0.16 0.07 0.53 0.40 0.00 0.00 0.00 178.15 179.00 1xl1 h ILE 742 N 0.08 1.22 -0.14 -0.67 5.03 -1.07 -0.22 117.51 121.74 1xl1 h ILE 742 Ca 0.04 -0.45 -0.11 0.00 -0.12 0.00 0.00 64.86 64.21 1xl1 h ILE 742 Cb 0.07 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 33.86 1xl1 h ILE 742 CO -0.01 0.23 -0.40 -0.33 -0.68 0.00 0.00 178.15 176.96 1xl1 h GLU 743 N 1.15 0.32 -0.43 2.37 5.08 -0.92 0.06 114.58 122.20 1xl1 h GLU 743 Ca 0.31 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1xl1 h GLU 743 Cb -0.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1xl1 h GLU 743 CO -0.06 0.67 -0.09 1.96 -1.00 0.00 0.00 179.01 180.49 1xl1 h GLN 744 N 0.27 0.82 -0.19 2.33 4.20 0.04 -0.67 115.11 121.91 1xl1 h GLN 744 Ca 0.03 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 1xl1 h GLN 744 Cb 0.82 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1xl1 h GLN 744 CO 0.07 0.93 0.06 -0.07 -0.67 0.00 0.00 178.83 179.14 1xl1 h LEU 745 N 0.64 0.28 -0.60 1.46 3.38 -0.78 -1.23 115.31 118.46 1xl1 h LEU 745 Ca 0.11 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1xl1 h LEU 745 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1xl1 h LEU 745 CO 0.04 0.41 0.06 0.28 0.09 0.00 0.00 178.44 179.32 1xl1 h SER 746 N 0.13 0.99 1.00 -0.43 0.02 -0.94 -3.08 113.55 111.25 1xl1 h SER 746 Ca 0.06 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1xl1 h SER 746 Cb 0.23 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1xl1 h SER 746 CO -0.00 1.02 0.00 -1.54 -1.14 0.00 0.00 176.83 175.17 1xl1 n SER 747 N -4.26 0.71 0.00 3.07 3.41 -0.26 -4.64 113.62 111.65 1xl1 n SER 747 Ca 0.03 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1xl1 n SER 747 Cb 0.30 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1xl1 n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xl1 n GLY 748 N 0.50 0.93 0.38 5.00 0.00 -1.08 -4.83 105.19 106.08 1xl1 n GLY 748 Ca 0.03 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1xl1 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xl1 h PHE 749 N 0.00 0.79 -0.32 1.61 3.04 -1.47 0.45 116.94 121.04 1xl1 h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xl1 h PHE 749 Cb 0.00 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.27 1xl1 h PHE 749 CO 0.00 0.24 0.00 1.19 -2.02 0.00 0.00 178.31 177.72 1xl1 n PHE 750 N -4.58 0.41 -2.91 0.41 3.72 -1.26 -4.53 117.46 108.71 1xl1 n PHE 750 Ca 0.19 -0.20 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 1xl1 n PHE 750 Cb 0.56 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.11 1xl1 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xl1 n SER 751 N 1.22 -1.57 -0.18 4.37 3.41 0.09 -4.79 113.62 116.17 1xl1 n SER 751 Ca 0.18 -3.18 -0.07 0.00 -0.26 0.00 0.00 58.87 55.54 1xl1 n SER 751 Cb 0.54 0.92 -0.01 0.00 -0.26 0.00 0.00 64.21 65.40 1xl1 n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1xl1 h PRO 752 N 3.71 -0.21 0.00 4.33 0.11 -1.63 -1.10 132.00 137.21 1xl1 h PRO 752 Ca -0.05 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1xl1 h PRO 752 Cb 1.00 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1xl1 h PRO 752 CO 0.35 -0.14 -0.18 0.87 -0.21 0.00 0.00 178.00 178.68 1xl1 h LYS 753 N -0.21 0.00 -2.21 1.05 1.57 -1.96 -3.32 116.57 111.48 1xl1 h LYS 753 Ca 0.20 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.40 1xl1 h LYS 753 Cb 0.56 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.46 1xl1 h LYS 753 CO -0.64 0.18 -0.87 1.04 -0.57 0.00 0.00 179.45 178.60 1xl1 n GLN 754 N -3.53 1.37 -0.32 3.15 6.02 -0.50 -5.00 117.38 118.56 1xl1 n GLN 754 Ca -0.01 -3.83 0.29 0.00 -0.01 0.00 0.00 57.00 53.44 1xl1 n GLN 754 Cb 0.34 -1.72 0.54 0.00 1.02 0.00 0.00 30.24 30.41 1xl1 n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1xl1 h PRO 755 N 4.40 0.11 -0.60 -1.09 0.11 -1.43 -0.09 132.00 133.41 1xl1 h PRO 755 Ca 0.15 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 1xl1 h PRO 755 Cb 0.80 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.82 1xl1 h PRO 755 CO 0.60 0.07 0.13 -0.40 -0.21 0.00 0.00 178.00 178.19 1xl1 n ASP 756 N -5.20 4.91 -0.29 -2.05 3.85 -1.26 -3.10 116.55 113.40 1xl1 n ASP 756 Ca 0.35 -3.13 0.08 0.00 -0.71 0.00 0.00 54.79 51.39 1xl1 n ASP 756 Cb 1.17 -0.69 0.31 0.00 -1.35 0.00 0.00 41.12 40.55 1xl1 n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1xl1 h LEU 757 N 2.91 0.78 -3.79 -2.12 5.85 -1.33 -2.39 115.31 115.23 1xl1 h LEU 757 Ca 0.14 0.03 -0.35 0.00 0.84 0.00 0.00 57.88 58.53 1xl1 h LEU 757 Cb 2.06 -0.13 -0.21 0.00 0.37 0.00 0.00 40.66 42.75 1xl1 h LEU 757 CO 0.57 0.44 0.40 0.49 -0.34 0.00 0.00 178.44 180.00 1xl1 n PHE 758 N -4.55 2.50 -0.14 1.25 3.01 -1.26 -4.58 117.46 113.68 1xl1 n PHE 758 Ca 0.16 -1.57 -0.03 0.00 1.01 0.00 0.00 57.45 57.02 1xl1 n PHE 758 Cb 0.35 -0.77 0.19 0.00 -0.01 0.00 0.00 39.48 39.24 1xl1 n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1xl1 h LYS 759 N 1.56 0.86 -0.58 -1.08 2.10 -1.75 -1.98 116.57 115.69 1xl1 h LYS 759 Ca 0.43 -0.16 -0.07 0.00 -2.00 0.00 0.00 60.65 58.85 1xl1 h LYS 759 Cb 2.47 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 33.64 1xl1 h LYS 759 CO 0.85 0.75 0.07 -0.44 -2.00 0.00 0.00 179.45 178.68 1xl1 h ASP 760 N 0.84 0.91 -0.03 7.07 3.32 -1.84 0.30 116.42 126.99 1xl1 h ASP 760 Ca 0.19 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xl1 h ASP 760 Cb 0.25 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1xl1 h ASP 760 CO -0.01 0.93 0.00 0.40 -1.72 0.00 0.00 179.24 178.84 1xl1 h ILE 761 N 0.90 1.22 -0.56 0.35 2.04 -1.80 -1.16 117.51 118.50 1xl1 h ILE 761 Ca 0.18 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1xl1 h ILE 761 Cb 0.42 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1xl1 h ILE 761 CO 0.01 0.18 0.34 0.58 0.00 0.00 0.00 178.15 179.26 1xl1 h VAL 762 N -0.22 1.17 -0.28 1.67 2.07 -1.23 -0.93 116.25 118.49 1xl1 h VAL 762 Ca 0.01 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1xl1 h VAL 762 Cb 0.29 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1xl1 h VAL 762 CO 0.00 0.17 0.13 -1.13 0.02 0.00 0.00 177.57 176.76 1xl1 h ASN 763 N 0.75 0.18 -0.02 0.57 -1.24 -0.86 -0.15 115.58 114.82 1xl1 h ASN 763 Ca 0.20 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1xl1 h ASN 763 Cb -0.02 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 1xl1 h ASN 763 CO -0.04 0.14 0.01 -0.03 -1.29 0.00 0.00 177.43 176.23 1xl1 h MET 764 N 0.28 0.03 -0.97 6.67 4.05 -0.94 0.21 114.93 124.26 1xl1 h MET 764 Ca 0.12 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.58 1xl1 h MET 764 Cb 0.05 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.79 1xl1 h MET 764 CO -0.09 0.04 0.63 -0.07 0.23 0.00 0.00 176.91 177.64 1xl1 h LEU 765 N 0.01 1.04 0.18 3.39 4.07 -0.91 -0.21 115.31 122.88 1xl1 h LEU 765 Ca 0.01 -0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.66 1xl1 h LEU 765 Cb 0.02 -0.23 0.02 0.00 1.08 0.00 0.00 40.66 41.55 1xl1 h LEU 765 CO -0.00 0.70 -1.35 0.24 -1.08 0.00 0.00 178.44 176.95 1xl1 h MET 766 N 1.20 0.38 0.00 1.13 2.86 -0.76 -3.41 114.93 116.33 1xl1 h MET 766 Ca 0.39 -0.65 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1xl1 h MET 766 Cb 0.04 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1xl1 h MET 766 CO -0.14 1.31 -1.21 0.72 1.06 0.00 0.00 176.91 178.65 1xl1 n HIS 767 N -3.61 0.00 -2.86 -0.22 8.25 0.73 -4.39 115.22 113.13 1xl1 n HIS 767 Ca -0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 1xl1 n HIS 767 Cb 1.06 -0.14 0.03 0.00 1.12 0.00 0.00 29.99 32.06 1xl1 n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xl1 n HIS 768 N -1.92 -0.15 -2.98 4.41 -0.00 -0.22 -5.04 115.22 109.33 1xl1 n HIS 768 Ca -0.04 -2.97 -0.44 0.00 -0.00 0.00 0.00 57.72 54.28 1xl1 n HIS 768 Cb 0.39 0.10 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 1xl1 n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1xl1 s ASP 769 N -2.40 6.22 0.25 4.39 2.15 -0.46 -4.83 116.67 121.98 1xl1 s ASP 769 Ca 0.30 -0.97 0.23 0.00 0.43 0.00 0.00 52.55 52.55 1xl1 s ASP 769 Cb 0.39 -2.36 0.98 0.00 -0.30 0.00 0.00 42.92 41.62 1xl1 s ASP 769 CO -0.03 -1.20 1.71 0.54 -0.17 0.00 0.00 175.17 176.02 1xl1 n ARG 770 N 6.98 0.19 -0.33 4.34 1.74 -1.26 -3.24 116.66 125.09 1xl1 n ARG 770 Ca -0.05 0.42 0.07 0.00 -0.77 0.00 0.00 57.85 57.52 1xl1 n ARG 770 Cb 0.45 -1.87 0.22 0.00 -1.02 0.00 0.00 32.46 30.25 1xl1 n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xl1 n PHE 771 N -2.23 0.78 -4.05 -1.55 3.72 -1.26 -5.01 117.46 107.85 1xl1 n PHE 771 Ca 0.02 -0.63 -0.34 0.00 -0.05 0.00 0.00 57.45 56.46 1xl1 n PHE 771 Cb 0.23 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 1xl1 n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1xl1 n LYS 772 N 0.35 -1.48 -0.12 -1.08 5.02 -1.20 -4.74 118.16 114.91 1xl1 n LYS 772 Ca 0.17 0.23 -0.06 0.00 -2.02 0.00 0.00 58.31 56.63 1xl1 n LYS 772 Cb 0.64 -3.67 0.02 0.00 -0.02 0.00 0.00 35.03 32.01 1xl1 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xl1 h VAL 773 N -2.04 0.93 -0.42 -0.18 2.07 -1.93 -2.54 116.25 112.13 1xl1 h VAL 773 Ca -0.67 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1xl1 h VAL 773 Cb 1.39 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1xl1 h VAL 773 CO 0.60 0.06 0.13 -0.26 0.02 0.00 0.00 177.57 178.13 1xl1 h PHE 774 N 0.34 0.61 0.00 1.57 0.05 -1.91 -2.82 116.94 114.78 1xl1 h PHE 774 Ca 0.17 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.93 1xl1 h PHE 774 Cb 0.12 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 37.88 1xl1 h PHE 774 CO -0.13 0.51 -0.00 0.00 -0.18 0.00 0.00 178.31 178.51 1xl1 h ALA 775 N 1.55 1.76 -0.04 2.45 0.00 -1.83 -2.33 119.26 120.83 1xl1 h ALA 775 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xl1 h ALA 775 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xl1 h ALA 775 CO -0.01 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1xl1 n ASP 776 N -4.20 2.45 0.18 0.00 8.00 -1.08 -4.71 116.55 117.19 1xl1 n ASP 776 Ca -0.03 -1.72 -0.15 0.00 0.71 0.00 0.00 54.79 53.60 1xl1 n ASP 776 Cb 0.09 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 1xl1 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1xl1 h TYR 777 N 3.33 -1.03 -0.07 1.24 5.03 -1.23 -1.17 116.97 123.06 1xl1 h TYR 777 Ca 0.00 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.36 1xl1 h TYR 777 Cb 0.71 0.42 -0.03 0.00 1.55 0.00 0.00 36.73 39.38 1xl1 h TYR 777 CO 0.01 -0.50 -0.12 0.93 -1.32 0.00 0.00 178.16 177.16 1xl1 h GLU 778 N -0.69 -0.16 -0.43 1.82 5.08 -1.84 -0.94 114.58 117.41 1xl1 h GLU 778 Ca -0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1xl1 h GLU 778 Cb 0.67 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1xl1 h GLU 778 CO -0.14 -0.11 0.09 1.49 -1.00 0.00 0.00 179.01 179.34 1xl1 h GLU 779 N -0.17 0.66 0.26 2.33 4.81 -1.87 -1.65 114.58 118.95 1xl1 h GLU 779 Ca 0.07 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1xl1 h GLU 779 Cb 0.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1xl1 h GLU 779 CO -0.17 0.61 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.68 1xl1 h TYR 780 N 0.64 -0.32 -0.64 0.92 3.20 -0.73 0.52 116.97 120.55 1xl1 h TYR 780 Ca 0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1xl1 h TYR 780 Cb 0.27 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1xl1 h TYR 780 CO 0.01 -0.10 0.39 0.28 -1.64 0.00 0.00 178.16 177.11 1xl1 h VAL 781 N -0.48 1.07 -0.28 1.81 2.07 -1.04 0.86 116.25 120.26 1xl1 h VAL 781 Ca -0.04 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xl1 h VAL 781 Cb 0.36 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1xl1 h VAL 781 CO 0.06 0.14 0.18 0.50 0.02 0.00 0.00 177.57 178.47 1xl1 h LYS 782 N 0.77 0.36 -0.90 1.57 1.63 -1.18 -2.01 116.57 116.81 1xl1 h LYS 782 Ca 0.26 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1xl1 h LYS 782 Cb 0.03 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1xl1 h LYS 782 CO -0.11 0.24 0.53 0.00 -3.45 0.00 0.00 179.45 176.66 1xl1 h GLN 784 N 1.25 0.00 -0.23 0.00 1.08 -0.33 -0.96 115.11 115.92 1xl1 h GLN 784 Ca 0.32 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.36 1xl1 h GLN 784 Cb -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1xl1 h GLN 784 CO -0.06 0.06 -0.51 0.93 -0.95 0.00 0.00 178.83 178.31 1xl1 h GLU 785 N 0.00 0.63 -0.03 1.46 5.08 -0.56 -2.38 114.58 118.78 1xl1 h GLU 785 Ca -0.00 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1xl1 h GLU 785 Cb 0.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1xl1 h GLU 785 CO 0.01 0.99 -0.31 0.00 -1.00 0.00 0.00 179.01 178.70 1xl1 h ARG 786 N 0.50 0.06 0.08 2.33 3.08 -0.93 -1.28 114.38 118.20 1xl1 h ARG 786 Ca 0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xl1 h ARG 786 Cb 1.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1xl1 h ARG 786 CO 0.10 0.36 -0.04 0.28 -1.07 0.00 0.00 179.97 179.61 1xl1 h VAL 787 N 0.05 1.11 -0.99 2.04 2.07 -1.05 -2.12 116.25 117.37 1xl1 h VAL 787 Ca 0.01 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1xl1 h VAL 787 Cb 0.57 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1xl1 h VAL 787 CO 0.04 0.16 0.65 0.28 0.02 0.00 0.00 177.57 178.72 1xl1 h SER 788 N -0.40 1.10 -0.29 0.57 0.02 -1.23 -1.16 113.55 112.17 1xl1 h SER 788 Ca -0.01 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1xl1 h SER 788 Cb 0.35 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1xl1 h SER 788 CO 0.02 0.77 0.12 0.00 -1.14 0.00 0.00 176.83 176.60 1xl1 h ALA 789 N 1.39 0.34 -0.29 3.77 0.00 -1.12 -2.59 119.26 120.75 1xl1 h ALA 789 Ca 0.38 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1xl1 h ALA 789 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xl1 h ALA 789 CO -0.11 -0.27 -0.23 1.25 0.00 0.00 0.00 179.25 179.89 1xl1 h LEU 790 N 0.27 0.57 -1.85 0.00 6.46 -0.85 -2.81 115.31 117.11 1xl1 h LEU 790 Ca 0.12 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1xl1 h LEU 790 Cb 0.06 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1xl1 h LEU 790 CO -0.10 0.80 -0.13 0.22 -0.62 0.00 0.00 178.44 178.61 1xl1 h TYR 791 N 0.50 0.00 0.00 1.25 3.20 -0.88 -0.84 116.97 120.20 1xl1 h TYR 791 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1xl1 h TYR 791 Cb 0.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1xl1 h TYR 791 CO 0.03 0.13 0.00 1.63 -1.64 0.00 0.00 178.16 178.31 1xl1 n LYS 792 N -4.08 0.07 -3.84 1.82 5.02 -1.01 -3.71 118.16 112.44 1xl1 n LYS 792 Ca -0.02 0.37 -0.30 0.00 -2.02 0.00 0.00 58.31 56.34 1xl1 n LYS 792 Cb 0.21 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.46 1xl1 n LYS 792 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xl1 s ASN 793 N -3.49 5.10 0.28 4.39 3.84 -0.32 -4.98 114.94 119.76 1xl1 s ASN 793 Ca 0.05 -3.84 -0.04 0.00 0.21 0.00 0.00 52.86 49.23 1xl1 s ASN 793 Cb 0.08 -1.70 0.56 0.00 -0.55 0.00 0.00 41.25 39.64 1xl1 s ASN 793 CO 0.27 -0.10 1.58 -0.65 -2.79 0.00 0.00 177.10 175.41 1xl1 h PRO 794 N 5.51 0.02 -0.18 0.43 0.11 -1.76 -1.01 132.00 135.12 1xl1 h PRO 794 Ca 0.15 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1xl1 h PRO 794 Cb 0.76 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1xl1 h PRO 794 CO 0.75 0.01 0.10 -0.09 -0.21 0.00 0.00 178.00 178.56 1xl1 h ARG 795 N 0.02 0.25 -0.01 1.05 2.43 -1.93 -1.72 114.38 114.47 1xl1 h ARG 795 Ca 0.51 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.52 1xl1 h ARG 795 Cb 0.92 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1xl1 h ARG 795 CO -0.91 0.23 -0.60 0.93 -1.51 0.00 0.00 179.97 178.11 1xl1 h GLU 796 N 0.20 0.02 -0.24 0.20 4.39 -1.66 -1.86 114.58 115.64 1xl1 h GLU 796 Ca 0.06 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1xl1 h GLU 796 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1xl1 h GLU 796 CO -0.01 0.62 0.04 2.35 -1.16 0.00 0.00 179.01 180.84 1xl1 h TRP 797 N 0.02 0.42 -0.54 4.33 2.91 -1.08 -1.89 115.95 120.12 1xl1 h TRP 797 Ca -0.01 -0.06 -0.06 0.00 1.13 0.00 0.00 58.89 59.90 1xl1 h TRP 797 Cb 1.07 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.58 1xl1 h TRP 797 CO 0.00 0.52 0.09 1.15 -1.03 0.00 0.00 178.44 179.17 1xl1 h THR 798 N 0.20 1.23 -0.29 2.65 2.02 -1.20 -0.93 112.91 116.59 1xl1 h THR 798 Ca 0.07 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 1xl1 h THR 798 Cb 0.32 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1xl1 h THR 798 CO 0.00 0.33 -0.16 0.03 0.37 0.00 0.00 175.52 176.09 1xl1 h ARG 799 N 0.81 0.52 -0.21 6.66 3.08 -1.17 0.73 114.38 124.80 1xl1 h ARG 799 Ca 0.17 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 1xl1 h ARG 799 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1xl1 h ARG 799 CO 0.01 0.67 -0.51 1.98 -1.07 0.00 0.00 179.97 181.05 1xl1 h MET 800 N 0.48 0.59 -0.48 0.04 4.05 -0.76 -2.23 114.93 116.62 1xl1 h MET 800 Ca 0.08 -0.35 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1xl1 h MET 800 Cb 0.56 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1xl1 h MET 800 CO 0.04 0.96 0.29 0.28 0.23 0.00 0.00 176.91 178.71 1xl1 h VAL 801 N 0.47 1.15 -0.95 -5.77 2.07 -0.47 -1.78 116.25 110.96 1xl1 h VAL 801 Ca 0.02 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1xl1 h VAL 801 Cb 1.05 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1xl1 h VAL 801 CO 0.10 0.15 0.62 0.40 0.02 0.00 0.00 177.57 178.86 1xl1 h ILE 802 N 0.64 1.19 -0.05 4.57 2.04 -0.64 -0.08 117.51 125.17 1xl1 h ILE 802 Ca 0.17 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1xl1 h ILE 802 Cb -0.01 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 35.92 1xl1 h ILE 802 CO -0.03 0.22 -0.18 0.03 0.00 0.00 0.00 178.15 178.19 1xl1 h ARG 803 N 1.23 0.08 0.14 2.37 3.08 -0.81 0.14 114.38 120.61 1xl1 h ARG 803 Ca 0.37 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1xl1 h ARG 803 Cb -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1xl1 h ARG 803 CO -0.11 0.27 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.09 1xl1 h ASN 804 N 0.08 -0.16 -0.64 7.04 2.35 -0.34 -3.08 115.58 120.83 1xl1 h ASN 804 Ca 0.01 -0.38 0.09 0.00 -0.55 0.00 0.00 56.30 55.48 1xl1 h ASN 804 Cb 0.38 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 1xl1 h ASN 804 CO 0.03 0.43 0.28 0.40 -1.65 0.00 0.00 177.43 176.92 1xl1 h ILE 805 N -0.89 0.82 0.00 2.81 2.04 -0.98 -1.64 117.51 119.67 1xl1 h ILE 805 Ca -0.02 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xl1 h ILE 805 Cb 0.52 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1xl1 h ILE 805 CO 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 178.15 178.22 1xl1 h ALA 806 N 1.41 1.43 -0.26 1.87 0.00 -1.06 -2.77 119.26 119.89 1xl1 h ALA 806 Ca 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xl1 h ALA 806 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xl1 h ALA 806 CO -0.28 0.07 -0.00 0.25 0.00 0.00 0.00 179.25 179.29 1xl1 n THR 807 N -3.77 2.30 1.39 0.00 -2.24 -0.65 -2.10 114.28 109.21 1xl1 n THR 807 Ca -0.02 -1.99 0.14 0.00 -2.27 0.00 0.00 64.05 59.91 1xl1 n THR 807 Cb 0.15 -0.26 0.44 0.00 -2.10 0.00 0.00 70.33 68.56 1xl1 n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xl1 n SER 808 N -0.63 1.60 -0.33 3.42 3.41 -0.99 -4.42 113.62 115.69 1xl1 n SER 808 Ca 0.22 -1.46 0.11 0.00 -0.26 0.00 0.00 58.87 57.49 1xl1 n SER 808 Cb 0.90 0.03 0.29 0.00 -0.26 0.00 0.00 64.21 65.17 1xl1 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xl1 h GLY 809 N 4.85 1.63 1.70 5.00 0.00 -1.79 -1.49 103.07 112.97 1xl1 h GLY 809 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.06 1xl1 h GLY 809 CO 0.00 -0.10 0.12 1.70 0.00 0.00 0.00 176.54 178.27 1xl1 h LYS 810 N 0.66 0.00 -0.82 4.80 3.64 -1.88 -2.61 116.57 120.36 1xl1 h LYS 810 Ca 0.54 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.90 1xl1 h LYS 810 Cb 0.86 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1xl1 h LYS 810 CO -0.40 0.00 0.03 1.19 -2.27 0.00 0.00 179.45 177.99 1xl1 n PHE 811 N -3.70 1.04 -2.86 1.91 3.01 -0.56 -4.73 117.46 111.57 1xl1 n PHE 811 Ca -0.01 -0.42 -0.40 0.00 1.01 0.00 0.00 57.45 57.64 1xl1 n PHE 811 Cb 0.22 -0.32 -0.05 0.00 -0.01 0.00 0.00 39.48 39.32 1xl1 n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xl1 s SER 812 N -0.34 7.39 0.12 4.37 0.15 -0.98 -0.84 113.70 123.56 1xl1 s SER 812 Ca 0.26 1.65 0.14 0.00 0.70 0.00 0.00 55.95 58.70 1xl1 s SER 812 Cb 0.20 -2.53 0.63 0.00 -1.71 0.00 0.00 66.02 62.61 1xl1 s SER 812 CO 0.07 0.02 1.43 -1.54 1.20 0.00 0.00 173.24 174.43 1xl1 n SER 813 N 2.51 0.25 -0.11 5.45 3.41 0.00 -1.58 113.62 123.56 1xl1 n SER 813 Ca -0.01 0.59 -0.11 0.00 -0.26 0.00 0.00 58.87 59.08 1xl1 n SER 813 Cb 0.49 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1xl1 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xl1 h ASP 814 N 0.00 0.91 -0.18 4.04 3.32 -1.91 0.28 116.42 122.88 1xl1 h ASP 814 Ca 0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 1xl1 h ASP 814 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1xl1 h ASP 814 CO 0.00 1.14 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.56 1xl1 h ARG 815 N 0.74 0.32 -0.28 3.56 1.12 -1.61 -0.76 114.38 117.47 1xl1 h ARG 815 Ca 0.08 -0.11 0.04 0.00 -1.11 0.00 0.00 59.98 58.89 1xl1 h ARG 815 Cb 0.86 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.75 1xl1 h ARG 815 CO 0.08 0.55 0.03 1.15 -3.11 0.00 0.00 179.97 178.67 1xl1 h THR 816 N 0.06 0.83 -0.47 0.20 2.02 -1.34 -1.87 112.91 112.34 1xl1 h THR 816 Ca 0.05 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1xl1 h THR 816 Cb 0.41 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1xl1 h THR 816 CO 0.01 0.02 -0.03 0.40 0.37 0.00 0.00 175.52 176.29 1xl1 h ILE 817 N 0.13 1.25 -0.68 3.11 1.08 -0.88 -1.83 117.51 119.69 1xl1 h ILE 817 Ca 0.13 -1.06 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1xl1 h ILE 817 Cb 0.16 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 1xl1 h ILE 817 CO -0.20 0.37 0.37 0.00 -0.69 0.00 0.00 178.15 178.00 1xl1 h ALA 818 N 1.23 1.37 -0.32 1.87 0.00 -0.69 0.92 119.26 123.64 1xl1 h ALA 818 Ca 0.14 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1xl1 h ALA 818 Cb 0.50 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xl1 h ALA 818 CO 0.03 0.52 -0.33 1.96 0.00 0.00 0.00 179.25 181.42 1xl1 h GLN 819 N 0.95 0.79 -0.48 0.00 4.20 -0.86 -1.63 115.11 118.09 1xl1 h GLN 819 Ca 0.24 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1xl1 h GLN 819 Cb 0.03 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1xl1 h GLN 819 CO -0.04 1.06 0.31 1.88 -0.67 0.00 0.00 178.83 181.37 1xl1 h TYR 820 N 0.57 0.61 -0.01 2.96 0.05 -0.89 0.12 116.97 120.37 1xl1 h TYR 820 Ca 0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1xl1 h TYR 820 Cb 0.92 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.45 1xl1 h TYR 820 CO 0.07 0.39 0.01 0.00 -1.05 0.00 0.00 178.16 177.58 1xl1 h ALA 821 N 1.17 0.02 0.12 3.88 0.00 -0.70 -0.10 119.26 123.65 1xl1 h ALA 821 Ca 0.18 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 1xl1 h ALA 821 Cb -0.07 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xl1 h ALA 821 CO -0.04 -0.48 -1.23 0.00 0.00 0.00 0.00 179.25 177.50 1xl1 h ARG 822 N 0.01 0.50 0.00 0.00 3.08 -1.20 0.27 114.38 117.04 1xl1 h ARG 822 Ca 0.00 -0.70 0.00 0.00 0.07 0.00 0.00 59.98 59.36 1xl1 h ARG 822 Cb 0.00 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1xl1 h ARG 822 CO -0.00 1.31 -1.02 0.39 -1.07 0.00 0.00 179.97 179.58 1xl1 n GLU 823 N -3.71 0.21 0.00 0.04 1.02 0.41 -4.33 120.64 114.27 1xl1 n GLU 823 Ca -0.12 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1xl1 n GLU 823 Cb 0.99 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1xl1 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xl1 n ILE 824 N -1.81 0.00 0.17 -3.67 5.41 -0.22 -4.86 119.36 114.38 1xl1 n ILE 824 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.88 1xl1 n ILE 824 Cb 0.41 -1.21 0.10 0.00 -0.71 0.00 0.00 39.64 38.23 1xl1 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1xl1 h TRP 825 N 0.00 0.00 -3.60 1.39 6.55 -1.10 -3.49 115.95 115.71 1xl1 h TRP 825 Ca 0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 1xl1 h TRP 825 Cb 0.71 0.00 0.08 0.00 -0.86 0.00 0.00 29.16 29.09 1xl1 h TRP 825 CO 0.00 0.05 -0.36 0.41 -1.05 0.00 0.00 178.44 177.49 1xl1 n GLY 826 N 1.14 0.13 3.00 1.49 0.00 0.74 -4.96 105.19 106.73 1xl1 n GLY 826 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1xl1 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xl1 s VAL 827 N -3.17 0.25 -0.22 1.61 -7.23 0.05 -5.01 120.40 106.68 1xl1 s VAL 827 Ca 0.13 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.32 1xl1 s VAL 827 Cb -0.06 -0.35 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 1xl1 s VAL 827 CO 0.36 -0.39 0.25 -1.61 -0.31 0.00 0.00 175.10 173.40 1xl1 s GLU 828 N -1.32 4.13 0.62 4.82 0.41 -1.26 -3.44 118.70 122.66 1xl1 s GLU 828 Ca -0.12 -0.07 -0.16 0.00 -0.41 0.00 0.00 54.97 54.21 1xl1 s GLU 828 Cb -0.09 -3.52 -0.02 0.00 -1.78 0.00 0.00 34.13 28.72 1xl1 s GLU 828 CO -0.00 0.05 1.12 -1.25 -0.49 0.00 0.00 175.26 174.68 1xl1 s PRO 829 N 1.07 2.99 0.00 0.39 0.04 -1.26 -4.94 135.00 133.29 1xl1 s PRO 829 Ca 0.12 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1xl1 s PRO 829 Cb -0.14 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 1xl1 s PRO 829 CO 0.05 -1.11 -0.03 0.45 0.04 0.00 0.00 177.00 176.40 1xl1 s SER 830 N -2.30 0.32 -0.22 6.66 0.15 0.61 -5.02 113.70 113.90 1xl1 s SER 830 Ca 0.69 -0.09 0.15 0.00 0.70 0.00 0.00 55.95 57.39 1xl1 s SER 830 Cb -0.22 -0.02 0.63 0.00 -1.71 0.00 0.00 66.02 64.70 1xl1 s SER 830 CO 0.37 0.00 1.56 0.54 1.20 0.00 0.00 173.24 176.90 1xl1 n ARG 831 N 2.87 3.43 -2.76 5.44 5.12 -1.26 -2.96 116.66 126.54 1xl1 n ARG 831 Ca -0.14 -2.98 -0.42 0.00 -1.93 0.00 0.00 57.85 52.38 1xl1 n ARG 831 Cb 0.59 -2.00 -0.03 0.00 -1.16 0.00 0.00 32.46 29.86 1xl1 n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1xl1 s GLN 832 N -2.87 4.52 0.54 5.56 -0.21 -1.26 -5.04 119.66 120.90 1xl1 s GLN 832 Ca 0.47 1.33 -0.19 0.00 0.02 0.00 0.00 55.36 56.99 1xl1 s GLN 832 Cb 0.38 -3.47 -0.06 0.00 1.00 0.00 0.00 33.01 30.86 1xl1 s GLN 832 CO 0.10 -0.08 1.11 1.03 -2.12 0.00 0.00 175.29 175.33 1xl1 s ARG 833 N 1.15 3.40 0.03 2.91 3.00 -1.26 -4.95 118.95 123.22 1xl1 s ARG 833 Ca 0.49 1.54 0.00 0.00 0.00 0.00 0.00 55.73 57.76 1xl1 s ARG 833 Cb -0.20 -2.02 -0.04 0.00 0.00 0.00 0.00 34.95 32.69 1xl1 s ARG 833 CO 0.25 -0.80 0.10 -0.51 0.00 0.00 0.00 175.30 174.34 1xl1 s LEU 834 N -3.84 3.96 0.08 2.53 1.43 -0.39 -5.03 118.68 117.42 1xl1 s LEU 834 Ca 0.71 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 53.63 1xl1 s LEU 834 Cb -0.22 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.48 1xl1 s LEU 834 CO 0.27 0.23 1.67 -2.16 0.23 0.00 0.00 176.35 176.60 1xl1 s PRO 835 N -2.03 4.19 0.00 1.29 0.04 -1.26 -4.63 135.00 132.60 1xl1 s PRO 835 Ca 0.26 2.37 0.27 0.00 0.04 0.00 0.00 61.00 63.95 1xl1 s PRO 835 Cb -0.12 -3.57 0.84 0.00 0.04 0.00 0.00 34.50 31.69 1xl1 s PRO 835 CO 0.18 -0.74 1.63 0.00 0.04 0.00 0.00 177.00 178.11