#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ll2 n THR 2 N 0.00 0.00 0.26 1.12 -2.24 -1.26 -3.88 114.28 108.28 1ll2 n THR 2 Ca 0.00 -0.31 0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1ll2 n THR 2 Cb 0.00 0.83 0.16 0.00 -2.10 0.00 0.00 70.33 69.22 1ll2 n THR 2 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ll2 n ASP 3 N -1.27 3.01 -4.27 3.42 5.75 -1.26 -4.90 116.55 117.03 1ll2 n ASP 3 Ca 0.00 -1.88 -0.26 0.00 -0.01 0.00 0.00 54.79 52.64 1ll2 n ASP 3 Cb 0.09 -0.18 -0.14 0.00 -1.03 0.00 0.00 41.12 39.86 1ll2 n ASP 3 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1ll2 s GLN 4 N -1.27 1.46 0.13 0.11 -0.21 -1.26 0.74 119.66 119.36 1ll2 s GLN 4 Ca 0.29 -0.98 -0.22 0.00 0.02 0.00 0.00 55.36 54.47 1ll2 s GLN 4 Cb 0.17 -1.59 0.06 0.00 1.00 0.00 0.00 33.01 32.65 1ll2 s GLN 4 CO 0.24 0.41 0.56 0.00 -2.12 0.00 0.00 175.29 174.38 1ll2 s ALA 5 N -0.81 -1.46 0.01 6.09 0.00 -1.05 -1.79 121.76 122.75 1ll2 s ALA 5 Ca 0.08 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1ll2 s ALA 5 Cb -0.09 0.74 -0.06 0.00 0.00 0.00 0.00 23.12 23.71 1ll2 s ALA 5 CO 0.02 -0.69 0.46 -0.06 0.00 0.00 0.00 175.76 175.49 1ll2 s PHE 6 N -3.43 3.73 -0.09 0.00 0.40 -0.26 -1.58 117.98 116.75 1ll2 s PHE 6 Ca -0.00 1.06 0.01 0.00 -0.60 0.00 0.00 56.93 57.40 1ll2 s PHE 6 Cb -0.00 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 41.17 1ll2 s PHE 6 CO -0.10 0.58 -0.11 0.08 0.70 0.00 0.00 175.22 176.37 1ll2 s VAL 7 N -0.93 1.17 0.31 -0.44 1.01 -0.10 -0.93 120.40 120.50 1ll2 s VAL 7 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1ll2 s VAL 7 Cb -0.17 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1ll2 s VAL 7 CO 0.15 0.37 0.00 1.07 0.00 0.00 0.00 175.10 176.69 1ll2 n THR 8 N 4.19 0.00 -3.78 3.92 5.66 -0.66 -0.74 114.28 122.88 1ll2 n THR 8 Ca -0.19 -1.46 -0.13 0.00 -3.05 0.00 0.00 64.05 59.22 1ll2 n THR 8 Cb 0.51 0.30 -0.10 0.00 -1.55 0.00 0.00 70.33 69.49 1ll2 n THR 8 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1ll2 s LEU 9 N 0.00 0.92 -0.23 1.09 2.96 -1.26 -1.21 118.68 120.95 1ll2 s LEU 9 Ca 0.00 0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.18 1ll2 s LEU 9 Cb 0.00 1.07 0.08 0.00 0.50 0.00 0.00 46.19 47.84 1ll2 s LEU 9 CO 0.00 -0.23 0.53 0.28 -1.32 0.00 0.00 176.35 175.62 1ll2 s THR 10 N -0.43 -0.22 -1.78 3.68 -1.32 -0.57 -4.22 115.64 110.79 1ll2 s THR 10 Ca -0.05 0.06 0.19 0.00 -1.21 0.00 0.00 61.69 60.67 1ll2 s THR 10 Cb -0.04 -0.80 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1ll2 s THR 10 CO 0.02 0.03 0.96 0.35 -2.21 0.00 0.00 174.62 173.76 1ll2 n THR 11 N 4.58 0.00 -4.02 5.08 -2.24 -1.26 -3.44 114.28 112.97 1ll2 n THR 11 Ca -0.19 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1ll2 n THR 11 Cb 0.55 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 1ll2 n THR 11 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ll2 s ASN 12 N -2.05 0.58 0.32 3.42 2.20 -1.26 -4.25 114.94 113.91 1ll2 s ASN 12 Ca 0.16 -1.33 0.12 0.00 -0.94 0.00 0.00 52.86 50.87 1ll2 s ASN 12 Cb 0.15 0.68 0.54 0.00 -2.00 0.00 0.00 41.25 40.62 1ll2 s ASN 12 CO 0.44 -1.34 1.72 0.44 -2.94 0.00 0.00 177.10 175.42 1ll2 h ASP 13 N 2.12 0.00 0.27 3.54 5.19 -1.96 -2.19 116.42 123.39 1ll2 h ASP 13 Ca -0.29 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 1ll2 h ASP 13 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1ll2 h ASP 13 CO 0.39 0.49 -0.13 0.00 -3.12 0.00 0.00 179.24 176.87 1ll2 h ALA 14 N 1.51 -0.36 0.00 3.45 0.00 -1.99 -2.68 119.26 119.19 1ll2 h ALA 14 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ll2 h ALA 14 Cb 0.88 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ll2 h ALA 14 CO 0.06 -0.61 0.00 1.88 0.00 0.00 0.00 179.25 180.58 1ll2 h TYR 15 N -0.54 0.00 -0.14 0.00 -1.99 -1.96 -2.46 116.97 109.88 1ll2 h TYR 15 Ca -0.04 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 1ll2 h TYR 15 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1ll2 h TYR 15 CO -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 178.16 177.94 1ll2 h ALA 16 N 2.14 1.39 -0.63 3.88 0.00 -1.06 0.14 119.26 125.11 1ll2 h ALA 16 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ll2 h ALA 16 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ll2 h ALA 16 CO 0.00 0.42 0.35 0.87 0.00 0.00 0.00 179.25 180.89 1ll2 h LYS 17 N 0.22 0.88 -0.33 0.00 1.57 -1.23 0.46 116.57 118.14 1ll2 h LYS 17 Ca 0.04 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ll2 h LYS 17 Cb 0.50 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1ll2 h LYS 17 CO 0.03 0.66 0.08 0.78 -0.57 0.00 0.00 179.45 180.44 1ll2 h GLY 18 N 0.86 0.57 1.00 3.86 0.00 -1.35 -1.83 103.07 106.18 1ll2 h GLY 18 Ca 0.22 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1ll2 h GLY 18 CO -0.04 0.33 0.65 0.00 0.00 0.00 0.00 176.54 177.49 1ll2 h ALA 19 N 0.92 1.31 -0.59 3.60 0.00 -0.58 0.75 119.26 124.67 1ll2 h ALA 19 Ca 0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ll2 h ALA 19 Cb 0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ll2 h ALA 19 CO 0.00 0.63 -0.03 -0.07 0.00 0.00 0.00 179.25 179.78 1ll2 h LEU 20 N 1.32 1.05 -0.37 0.00 3.38 -0.72 0.53 115.31 120.50 1ll2 h LEU 20 Ca 0.37 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1ll2 h LEU 20 Cb -0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 1ll2 h LEU 20 CO -0.09 1.12 -0.35 0.58 0.09 0.00 0.00 178.44 179.79 1ll2 h VAL 21 N 0.96 1.28 0.11 1.22 2.07 -0.83 -1.42 116.25 119.64 1ll2 h VAL 21 Ca 0.16 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1ll2 h VAL 21 Cb 0.60 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1ll2 h VAL 21 CO 0.04 0.51 -0.05 0.25 0.02 0.00 0.00 177.57 178.33 1ll2 h LEU 22 N 0.70 -0.12 -1.20 2.57 5.85 -0.71 -0.67 115.31 121.71 1ll2 h LEU 22 Ca 0.06 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1ll2 h LEU 22 Cb 0.94 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1ll2 h LEU 22 CO 0.09 -0.02 0.56 1.23 -0.34 0.00 0.00 178.44 179.95 1ll2 h GLY 23 N -0.21 1.22 0.96 3.75 0.00 -0.86 -1.63 103.07 106.29 1ll2 h GLY 23 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1ll2 h GLY 23 CO 0.02 0.30 -0.01 1.76 0.00 0.00 0.00 176.54 178.62 1ll2 h SER 24 N 0.98 0.72 -0.10 0.19 0.02 -0.93 -2.43 113.55 112.00 1ll2 h SER 24 Ca 0.36 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1ll2 h SER 24 Cb 0.16 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ll2 h SER 24 CO -0.12 0.85 -0.06 0.77 -1.14 0.00 0.00 176.83 177.13 1ll2 h SER 25 N 0.56 0.34 -0.22 3.07 4.64 -0.36 0.24 113.55 121.83 1ll2 h SER 25 Ca 0.12 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1ll2 h SER 25 Cb 0.49 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1ll2 h SER 25 CO 0.02 0.45 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.92 1ll2 h LEU 26 N 0.35 0.84 -0.28 5.97 3.38 -1.16 -2.16 115.31 122.25 1ll2 h LEU 26 Ca 0.08 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.50 1ll2 h LEU 26 Cb 0.33 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ll2 h LEU 26 CO 0.01 1.16 -0.40 0.11 0.09 0.00 0.00 178.44 179.41 1ll2 h LYS 27 N 0.62 0.77 -0.55 1.13 1.57 -0.93 -2.72 116.57 116.46 1ll2 h LYS 27 Ca 0.04 -0.45 0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1ll2 h LYS 27 Cb 1.01 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1ll2 h LYS 27 CO 0.10 1.08 0.37 0.37 -0.57 0.00 0.00 179.45 180.80 1ll2 h GLN 28 N 0.52 0.33 -0.83 3.15 4.15 -0.42 -0.35 115.11 121.67 1ll2 h GLN 28 Ca 0.03 -0.02 -0.29 0.00 0.77 0.00 0.00 58.65 59.14 1ll2 h GLN 28 Cb 0.99 -0.07 -0.17 0.00 0.21 0.00 0.00 27.48 28.44 1ll2 h GLN 28 CO 0.09 0.22 0.37 0.72 -1.93 0.00 0.00 178.83 178.29 1ll2 n HIS 29 N -4.46 2.58 -3.75 3.99 8.25 -0.82 -4.97 115.22 116.04 1ll2 n HIS 29 Ca 0.09 -1.34 -0.33 0.00 -0.26 0.00 0.00 57.72 55.88 1ll2 n HIS 29 Cb 0.38 -0.75 0.03 0.00 1.12 0.00 0.00 29.99 30.77 1ll2 n HIS 29 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ll2 n ARG 30 N -0.37 -1.02 -2.55 -0.41 1.74 -0.14 -4.29 116.66 109.62 1ll2 n ARG 30 Ca 0.45 0.44 -0.36 0.00 -0.77 0.00 0.00 57.85 57.61 1ll2 n ARG 30 Cb 1.45 -3.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.15 1ll2 n ARG 30 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1ll2 s THR 31 N -3.42 3.74 -2.86 0.55 -1.32 -1.04 -4.93 115.64 106.38 1ll2 s THR 31 Ca 0.42 1.29 0.24 0.00 -1.21 0.00 0.00 61.69 62.43 1ll2 s THR 31 Cb -0.17 -3.64 0.26 0.00 -1.51 0.00 0.00 72.50 67.43 1ll2 s THR 31 CO 0.88 -0.04 1.31 -1.54 -2.21 0.00 0.00 174.62 173.02 1ll2 n SER 32 N -0.22 3.11 -4.99 8.08 3.41 -1.26 -4.96 113.62 116.78 1ll2 n SER 32 Ca 0.06 -1.99 -0.19 0.00 -0.26 0.00 0.00 58.87 56.49 1ll2 n SER 32 Cb 0.50 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1ll2 n SER 32 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ll2 s ARG 33 N -1.86 2.69 0.61 4.33 1.81 -1.26 -1.75 118.95 123.51 1ll2 s ARG 33 Ca 0.31 -1.06 -0.10 0.00 -1.72 0.00 0.00 55.73 53.16 1ll2 s ARG 33 Cb 0.21 -2.64 -0.03 0.00 -0.45 0.00 0.00 34.95 32.03 1ll2 s ARG 33 CO 0.31 -0.47 1.00 1.03 -0.68 0.00 0.00 175.30 176.48 1ll2 s ARG 34 N -4.53 3.53 -0.13 3.54 1.81 -0.74 -4.91 118.95 117.52 1ll2 s ARG 34 Ca 0.56 0.65 0.02 0.00 -1.72 0.00 0.00 55.73 55.24 1ll2 s ARG 34 Cb -0.10 -2.12 0.01 0.00 -0.45 0.00 0.00 34.95 32.30 1ll2 s ARG 34 CO 0.35 -0.56 -0.19 -0.51 -0.68 0.00 0.00 175.30 173.72 1ll2 s LEU 35 N -5.13 1.93 0.08 2.53 1.43 -1.26 -1.11 118.68 117.15 1ll2 s LEU 35 Ca 0.54 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1ll2 s LEU 35 Cb -0.11 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1ll2 s LEU 35 CO 0.53 0.04 -0.15 0.00 0.23 0.00 0.00 176.35 177.00 1ll2 s ALA 36 N 0.98 1.26 -0.02 4.21 0.00 -0.10 -0.42 121.76 127.67 1ll2 s ALA 36 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1ll2 s ALA 36 Cb -0.15 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1ll2 s ALA 36 CO -0.04 0.17 0.02 0.54 0.00 0.00 0.00 175.76 176.45 1ll2 s VAL 37 N -1.38 0.03 -0.09 0.00 0.11 -0.45 -1.65 120.40 116.97 1ll2 s VAL 37 Ca 0.00 0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 58.97 1ll2 s VAL 37 Cb -0.09 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1ll2 s VAL 37 CO 0.02 0.10 0.69 -0.76 -3.33 0.00 0.00 175.10 171.83 1ll2 s LEU 38 N 0.97 4.28 0.27 2.54 1.43 -0.35 -0.81 118.68 127.01 1ll2 s LEU 38 Ca -0.09 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1ll2 s LEU 38 Cb -0.12 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 42.99 1ll2 s LEU 38 CO -0.02 -0.16 0.06 0.42 0.23 0.00 0.00 176.35 176.88 1ll2 s THR 39 N 1.05 0.87 0.34 5.49 -4.23 0.15 -1.51 115.64 117.81 1ll2 s THR 39 Ca 0.36 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1ll2 s THR 39 Cb -0.17 -2.63 -0.07 0.00 1.34 0.00 0.00 72.50 70.97 1ll2 s THR 39 CO 0.16 -0.07 -0.05 0.42 -0.54 0.00 0.00 174.62 174.54 1ll2 s THR 40 N -3.53 1.92 -0.19 3.99 -4.23 -1.22 0.40 115.64 112.78 1ll2 s THR 40 Ca 0.35 -2.12 0.24 0.00 -1.18 0.00 0.00 61.69 58.98 1ll2 s THR 40 Cb 0.08 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.47 1ll2 s THR 40 CO 0.13 -0.17 1.72 -0.65 -0.54 0.00 0.00 174.62 175.12 1ll2 h PRO 41 N 2.05 0.00 0.00 3.99 0.11 -1.92 -2.11 132.00 134.12 1ll2 h PRO 41 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ll2 h PRO 41 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ll2 h PRO 41 CO 0.72 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.55 1ll2 n GLN 42 N -2.32 0.02 -2.59 1.05 3.00 -1.26 -4.66 117.38 110.62 1ll2 n GLN 42 Ca -0.01 0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1ll2 n GLN 42 Cb 0.08 -1.53 -0.02 0.00 0.00 0.00 0.00 30.24 28.76 1ll2 n GLN 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ll2 s VAL 43 N -3.02 4.56 0.95 5.09 1.01 -0.80 -4.56 120.40 123.63 1ll2 s VAL 43 Ca 0.10 1.87 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 1ll2 s VAL 43 Cb 0.14 -4.20 0.16 0.00 0.00 0.00 0.00 36.38 32.48 1ll2 s VAL 43 CO 0.40 -0.09 1.12 -0.94 0.00 0.00 0.00 175.10 175.59 1ll2 s SER 44 N 1.36 2.68 0.30 3.32 1.04 -1.26 -4.73 113.70 116.41 1ll2 s SER 44 Ca 0.49 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.96 1ll2 s SER 44 Cb -0.19 -2.52 0.44 0.00 0.10 0.00 0.00 66.02 63.85 1ll2 s SER 44 CO 0.14 -3.23 1.94 0.44 0.98 0.00 0.00 173.24 173.50 1ll2 h ASP 45 N -1.96 0.90 -0.22 7.02 3.32 -1.94 -0.13 116.42 123.41 1ll2 h ASP 45 Ca -0.46 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 1ll2 h ASP 45 Cb 1.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1ll2 h ASP 45 CO 0.44 0.70 0.13 0.74 -1.72 0.00 0.00 179.24 179.53 1ll2 h THR 46 N 1.04 1.10 -0.45 0.35 2.02 -1.98 -0.45 112.91 114.54 1ll2 h THR 46 Ca 0.27 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1ll2 h THR 46 Cb -0.03 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1ll2 h THR 46 CO -0.05 0.10 -0.18 0.24 0.37 0.00 0.00 175.52 176.00 1ll2 h MET 47 N 0.26 0.91 -0.43 6.66 2.86 -1.85 -2.77 114.93 120.57 1ll2 h MET 47 Ca 0.08 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1ll2 h MET 47 Cb 0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1ll2 h MET 47 CO -0.01 1.04 0.26 -0.09 1.06 0.00 0.00 176.91 179.16 1ll2 h ARG 48 N 0.75 0.51 -0.94 1.72 2.43 -0.81 0.98 114.38 119.02 1ll2 h ARG 48 Ca 0.10 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1ll2 h ARG 48 Cb 0.74 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1ll2 h ARG 48 CO 0.06 0.34 0.61 0.87 -1.51 0.00 0.00 179.97 180.34 1ll2 h LYS 49 N 0.52 1.16 -0.38 0.20 1.57 -1.03 0.21 116.57 118.82 1ll2 h LYS 49 Ca 0.17 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1ll2 h LYS 49 Cb 0.00 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1ll2 h LYS 49 CO -0.07 0.77 0.10 0.00 -0.57 0.00 0.00 179.45 179.67 1ll2 h ALA 50 N 1.38 0.50 -0.41 3.86 0.00 -1.09 -2.65 119.26 120.85 1ll2 h ALA 50 Ca 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ll2 h ALA 50 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ll2 h ALA 50 CO -0.12 0.16 0.16 -0.07 0.00 0.00 0.00 179.25 179.38 1ll2 h LEU 51 N 0.46 0.52 -1.74 0.00 3.38 0.17 -1.24 115.31 116.86 1ll2 h LEU 51 Ca 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ll2 h LEU 51 Cb 0.30 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ll2 h LEU 51 CO 0.00 0.48 -0.17 -0.33 0.09 0.00 0.00 178.44 178.51 1ll2 h GLU 52 N 0.57 0.00 0.04 1.13 4.39 -0.28 -0.03 114.58 120.40 1ll2 h GLU 52 Ca 0.14 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 1ll2 h GLU 52 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ll2 h GLU 52 CO -0.01 0.17 -0.58 0.82 -1.16 0.00 0.00 179.01 178.24 1ll2 h ILE 53 N 0.00 1.47 -0.10 3.13 1.08 -0.99 -3.38 117.51 118.72 1ll2 h ILE 53 Ca -0.00 -2.36 -0.19 0.00 -0.39 0.00 0.00 64.86 61.92 1ll2 h ILE 53 Cb 0.40 3.04 -0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1ll2 h ILE 53 CO 0.02 0.58 -0.71 0.58 -0.69 0.00 0.00 178.15 177.93 1ll2 h VAL 54 N -0.79 1.36 -2.88 1.67 2.07 -1.27 -3.45 116.25 112.96 1ll2 h VAL 54 Ca -0.13 -2.07 -0.64 0.00 0.82 0.00 0.00 66.70 64.68 1ll2 h VAL 54 Cb 1.28 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 33.04 1ll2 h VAL 54 CO -0.00 0.63 -0.51 -0.36 0.02 0.00 0.00 177.57 177.34 1ll2 s PHE 55 N -3.69 3.49 0.29 1.57 0.40 -0.03 -4.91 117.98 115.10 1ll2 s PHE 55 Ca -0.07 0.32 0.11 0.00 -0.60 0.00 0.00 56.93 56.69 1ll2 s PHE 55 Cb 0.10 -1.80 0.42 0.00 0.51 0.00 0.00 43.02 42.25 1ll2 s PHE 55 CO 0.85 0.62 1.65 -0.44 0.70 0.00 0.00 175.22 178.60 1ll2 h ASP 56 N 3.79 0.00 -3.46 1.36 3.32 -1.03 -3.43 116.42 116.97 1ll2 h ASP 56 Ca -0.49 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.34 1ll2 h ASP 56 Cb 1.18 -0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.43 1ll2 h ASP 56 CO 0.68 0.58 -0.55 -0.70 -1.72 0.00 0.00 179.24 177.53 1ll2 s GLU 57 N -3.71 0.14 -0.24 3.56 2.12 -0.82 -5.01 118.70 114.73 1ll2 s GLU 57 Ca -0.02 0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.70 1ll2 s GLU 57 Cb 0.13 -0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.42 1ll2 s GLU 57 CO 0.76 -0.14 -0.08 0.08 -0.54 0.00 0.00 175.26 175.34 1ll2 s VAL 58 N 1.04 2.78 -0.12 3.70 1.01 -1.26 -1.34 120.40 126.21 1ll2 s VAL 58 Ca -0.08 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1ll2 s VAL 58 Cb -0.10 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1ll2 s VAL 58 CO -0.06 0.23 0.09 -0.63 0.00 0.00 0.00 175.10 174.73 1ll2 s ILE 59 N 1.32 5.03 -0.21 2.22 1.09 0.01 -4.98 121.20 125.68 1ll2 s ILE 59 Ca 0.00 0.03 -0.05 0.00 -1.10 0.00 0.00 60.65 59.53 1ll2 s ILE 59 Cb -0.16 -3.18 -0.02 0.00 -1.06 0.00 0.00 42.46 38.03 1ll2 s ILE 59 CO -0.05 0.59 0.00 -0.89 -0.10 0.00 0.00 174.94 174.49 1ll2 s THR 60 N -0.81 3.91 -0.10 2.92 2.01 -1.26 0.32 115.64 122.64 1ll2 s THR 60 Ca 0.13 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1ll2 s THR 60 Cb -0.12 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1ll2 s THR 60 CO 0.03 0.42 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.45 1ll2 s VAL 61 N 1.13 2.06 -0.45 3.82 1.01 0.16 -4.94 120.40 123.19 1ll2 s VAL 61 Ca 0.03 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1ll2 s VAL 61 Cb -0.14 -1.78 0.14 0.00 0.00 0.00 0.00 36.38 34.60 1ll2 s VAL 61 CO 0.01 0.56 0.25 -0.62 0.00 0.00 0.00 175.10 175.30 1ll2 s ASP 62 N 0.32 3.61 0.05 3.32 -1.08 -1.26 -4.18 116.67 117.45 1ll2 s ASP 62 Ca -0.18 -2.67 0.19 0.00 -0.52 0.00 0.00 52.55 49.36 1ll2 s ASP 62 Cb -0.18 -1.03 0.79 0.00 -1.46 0.00 0.00 42.92 41.04 1ll2 s ASP 62 CO 0.09 -0.26 1.59 2.30 0.52 0.00 0.00 175.17 179.41 1ll2 n ILE 63 N 3.48 0.79 0.73 4.11 -5.35 -1.26 -1.99 119.36 119.86 1ll2 n ILE 63 Ca 0.10 0.18 0.12 0.00 -0.27 0.00 0.00 62.75 62.88 1ll2 n ILE 63 Cb 0.35 -0.92 0.49 0.00 -1.74 0.00 0.00 39.64 37.82 1ll2 n ILE 63 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ll2 n LEU 64 N -1.64 0.29 -4.77 7.28 4.77 -1.26 -4.18 117.00 117.48 1ll2 n LEU 64 Ca 0.04 0.54 -0.38 0.00 -0.03 0.00 0.00 56.01 56.18 1ll2 n LEU 64 Cb 0.22 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1ll2 n LEU 64 CO 0.17 -0.17 0.18 -0.62 -1.33 0.00 0.00 177.39 175.63 1ll2 s ASP 65 N -3.54 6.80 0.67 -1.43 -1.08 -0.84 -4.96 116.67 112.29 1ll2 s ASP 65 Ca 0.11 0.95 0.42 0.00 -0.52 0.00 0.00 52.55 53.51 1ll2 s ASP 65 Cb 0.14 -2.29 2.30 0.00 -1.46 0.00 0.00 42.92 41.61 1ll2 s ASP 65 CO 0.47 0.14 2.30 0.28 0.52 0.00 0.00 175.17 178.89 1ll2 h SER 66 N 5.73 0.00 1.17 -0.34 0.02 -1.87 -1.46 113.55 116.80 1ll2 h SER 66 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ll2 h SER 66 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1ll2 h SER 66 CO 0.69 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 1ll2 n GLY 67 N -1.11 -1.53 3.75 -3.77 0.00 -1.26 -4.80 105.19 96.46 1ll2 n GLY 67 Ca -0.03 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1ll2 n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ll2 s ASP 68 N -4.15 7.52 0.60 1.61 -1.08 -0.55 -4.94 116.67 115.68 1ll2 s ASP 68 Ca 0.09 1.81 0.32 0.00 -0.52 0.00 0.00 52.55 54.25 1ll2 s ASP 68 Cb 0.12 -2.57 1.92 0.00 -1.46 0.00 0.00 42.92 40.93 1ll2 s ASP 68 CO 0.52 0.08 2.28 0.77 0.52 0.00 0.00 175.17 179.33 1ll2 h SER 69 N 4.81 0.00 0.23 -0.34 4.64 -1.88 -1.89 113.55 119.11 1ll2 h SER 69 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1ll2 h SER 69 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ll2 h SER 69 CO 0.69 0.00 -0.44 0.00 -0.87 0.00 0.00 176.83 176.21 1ll2 n ALA 70 N -2.29 3.47 -0.13 5.18 0.00 -1.26 -4.51 120.51 120.98 1ll2 n ALA 70 Ca -0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 52.91 1ll2 n ALA 70 Cb 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.52 1ll2 n ALA 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ll2 h HIS 71 N 1.00 -0.45 -0.80 0.00 2.76 -1.50 -1.80 115.15 114.35 1ll2 h HIS 71 Ca 0.00 0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 1ll2 h HIS 71 Cb 0.55 0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.72 1ll2 h HIS 71 CO 0.00 -0.27 0.50 -0.07 -1.30 0.00 0.00 177.93 176.80 1ll2 h LEU 72 N -0.10 0.81 -1.38 0.26 3.38 -1.80 -1.04 115.31 115.45 1ll2 h LEU 72 Ca 0.21 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1ll2 h LEU 72 Cb 0.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ll2 h LEU 72 CO -0.49 0.54 -0.15 0.74 0.09 0.00 0.00 178.44 179.17 1ll2 h THR 73 N 0.95 1.18 -0.57 0.22 2.02 -1.71 -2.21 112.91 112.78 1ll2 h THR 73 Ca 0.33 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 1ll2 h THR 73 Cb 0.08 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1ll2 h THR 73 CO -0.14 0.25 0.09 0.25 0.37 0.00 0.00 175.52 176.35 1ll2 h LEU 74 N 0.21 0.91 -0.75 2.58 5.85 -0.38 0.32 115.31 124.05 1ll2 h LEU 74 Ca 0.04 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1ll2 h LEU 74 Cb 0.40 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1ll2 h LEU 74 CO 0.02 0.94 0.34 0.24 -0.34 0.00 0.00 178.44 179.64 1ll2 h MET 75 N 0.85 1.10 -0.06 1.25 2.86 -0.89 -2.54 114.93 117.50 1ll2 h MET 75 Ca 0.17 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ll2 h MET 75 Cb 0.42 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ll2 h MET 75 CO 0.01 0.87 -0.14 -0.22 1.06 0.00 0.00 176.91 178.49 1ll2 h LYS 76 N 1.07 0.19 -3.06 1.72 3.64 -1.15 -3.40 116.57 115.58 1ll2 h LYS 76 Ca 0.25 -0.13 -0.62 0.00 -1.27 0.00 0.00 60.65 58.88 1ll2 h LYS 76 Cb 0.16 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 31.59 1ll2 h LYS 76 CO -0.03 0.74 -0.64 1.03 -2.27 0.00 0.00 179.45 178.28 1ll2 s ARG 77 N -3.85 2.11 0.50 1.90 0.52 0.11 -4.96 118.95 115.28 1ll2 s ARG 77 Ca -0.15 -2.97 0.19 0.00 -0.52 0.00 0.00 55.73 52.28 1ll2 s ARG 77 Cb 0.03 -3.11 1.24 0.00 0.52 0.00 0.00 34.95 33.63 1ll2 s ARG 77 CO 0.73 -1.25 2.04 -1.35 0.02 0.00 0.00 175.30 175.48 1ll2 h PRO 78 N 5.75 0.13 0.00 3.54 0.11 -1.67 -2.03 132.00 137.83 1ll2 h PRO 78 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1ll2 h PRO 78 Cb 0.81 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ll2 h PRO 78 CO 0.66 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 1ll2 n GLU 79 N -4.45 0.01 -0.59 1.05 0.00 -1.26 -2.54 120.64 112.84 1ll2 n GLU 79 Ca 0.06 0.27 0.10 0.00 0.00 0.00 0.00 57.16 57.59 1ll2 n GLU 79 Cb 0.37 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.67 1ll2 n GLU 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ll2 n LEU 80 N -1.49 4.71 -0.07 -1.84 4.77 -0.76 -4.66 117.00 117.65 1ll2 n LEU 80 Ca 0.03 -2.40 -0.11 0.00 -0.03 0.00 0.00 56.01 53.50 1ll2 n LEU 80 Cb 0.15 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 1ll2 n LEU 80 CO 0.12 0.84 0.59 1.23 -1.33 0.00 0.00 177.39 178.83 1ll2 h GLY 81 N 4.13 -0.60 1.02 -0.72 0.00 -1.67 0.41 103.07 105.64 1ll2 h GLY 81 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 1ll2 h GLY 81 CO 0.21 -0.20 0.27 -2.08 0.00 0.00 0.00 176.54 174.73 1ll2 h VAL 82 N -0.39 1.24 -0.36 4.60 2.07 -1.88 -2.49 116.25 119.04 1ll2 h VAL 82 Ca 0.11 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1ll2 h VAL 82 Cb 0.60 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1ll2 h VAL 82 CO -0.49 0.30 0.19 0.74 0.02 0.00 0.00 177.57 178.33 1ll2 h THR 83 N 0.96 1.00 -0.68 2.57 2.02 -1.65 -0.63 112.91 116.51 1ll2 h THR 83 Ca 0.22 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1ll2 h THR 83 Cb 0.21 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1ll2 h THR 83 CO -0.02 0.07 0.32 -0.07 0.37 0.00 0.00 175.52 176.19 1ll2 h LEU 84 N 0.39 0.87 -0.27 2.58 3.38 -0.01 -0.20 115.31 122.05 1ll2 h LEU 84 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1ll2 h LEU 84 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ll2 h LEU 84 CO -0.09 0.74 -0.03 0.74 0.09 0.00 0.00 178.44 179.89 1ll2 h THR 85 N 0.96 1.27 -0.91 0.22 2.02 -1.10 -3.04 112.91 112.33 1ll2 h THR 85 Ca 0.23 -1.00 0.08 0.00 0.77 0.00 0.00 66.41 66.49 1ll2 h THR 85 Cb 0.11 1.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 1ll2 h THR 85 CO -0.03 0.32 0.56 0.50 0.37 0.00 0.00 175.52 177.24 1ll2 h LYS 86 N 0.27 0.96 -0.01 6.66 3.64 -0.47 -1.54 116.57 126.07 1ll2 h LYS 86 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ll2 h LYS 86 Cb 0.48 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ll2 h LYS 86 CO 0.02 0.64 0.10 -0.07 -2.27 0.00 0.00 179.45 177.86 1ll2 h LEU 87 N 0.99 0.00 0.00 5.20 3.38 -0.93 0.01 115.31 123.96 1ll2 h LEU 87 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ll2 h LEU 87 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ll2 h LEU 87 CO -0.20 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.74 1ll2 n HIS 88 N -3.13 0.00 0.26 1.13 8.25 -0.58 -1.75 115.22 119.40 1ll2 n HIS 88 Ca -0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1ll2 n HIS 88 Cb 0.17 -0.37 0.71 0.00 1.12 0.00 0.00 29.99 31.62 1ll2 n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ll2 n TRP 90 N -3.88 0.00 1.16 0.00 8.01 -0.72 -3.05 117.44 118.96 1ll2 n TRP 90 Ca -0.02 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.30 1ll2 n TRP 90 Cb 0.20 -0.44 0.41 0.00 -2.01 0.00 0.00 31.31 29.47 1ll2 n TRP 90 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1ll2 n SER 91 N -1.44 0.60 -3.14 -0.99 7.64 -0.21 0.05 113.62 116.13 1ll2 n SER 91 Ca 0.09 -0.43 -0.34 0.00 1.01 0.00 0.00 58.87 59.20 1ll2 n SER 91 Cb 0.29 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 1ll2 n SER 91 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ll2 n LEU 92 N -1.12 7.84 0.00 -3.43 4.77 -1.17 -4.68 117.00 119.21 1ll2 n LEU 92 Ca 0.10 -4.02 0.04 0.00 -0.03 0.00 0.00 56.01 52.09 1ll2 n LEU 92 Cb 0.33 -1.47 0.22 0.00 -2.33 0.00 0.00 43.42 40.16 1ll2 n LEU 92 CO 0.29 1.83 0.43 0.35 -1.33 0.00 0.00 177.39 178.96 1ll2 n THR 93 N 3.53 0.00 0.67 -5.08 -2.24 -1.26 -1.57 114.28 108.33 1ll2 n THR 93 Ca 0.70 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.60 1ll2 n THR 93 Cb 0.29 -0.80 0.47 0.00 -2.10 0.00 0.00 70.33 68.19 1ll2 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ll2 n GLN 94 N -0.94 0.13 -4.77 -0.78 0.00 -1.26 -4.68 117.38 105.08 1ll2 n GLN 94 Ca 0.05 0.20 -0.32 0.00 0.00 0.00 0.00 57.00 56.94 1ll2 n GLN 94 Cb 0.02 -1.68 -0.13 0.00 0.00 0.00 0.00 30.24 28.46 1ll2 n GLN 94 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1ll2 s TYR 95 N -3.10 2.65 -0.00 2.61 1.51 -0.61 -4.75 117.35 115.67 1ll2 s TYR 95 Ca 0.10 -0.19 0.11 0.00 -1.01 0.00 0.00 57.07 56.08 1ll2 s TYR 95 Cb 0.13 -1.56 -0.19 0.00 -0.11 0.00 0.00 41.96 40.23 1ll2 s TYR 95 CO 0.48 0.23 0.95 0.66 -1.11 0.00 0.00 175.55 176.76 1ll2 h SER 96 N 4.93 0.00 -3.83 2.29 4.64 0.05 -3.39 113.55 118.24 1ll2 h SER 96 Ca -0.47 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.73 1ll2 h SER 96 Cb 1.15 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.00 1ll2 h SER 96 CO 0.50 0.92 -0.23 -0.75 -0.87 0.00 0.00 176.83 176.40 1ll2 s LYS 97 N -2.70 0.49 0.08 4.77 2.20 -1.23 -4.30 119.74 119.05 1ll2 s LYS 97 Ca -0.02 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 1ll2 s LYS 97 Cb 0.09 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 1ll2 s LYS 97 CO 0.82 -0.07 -0.03 0.00 -0.36 0.00 0.00 175.35 175.71 1ll2 s VAL 99 N -3.82 2.44 0.22 0.00 1.01 -0.62 -0.90 120.40 118.74 1ll2 s VAL 99 Ca 0.11 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 1ll2 s VAL 99 Cb 0.07 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 1ll2 s VAL 99 CO -0.06 -0.10 0.96 0.12 0.00 0.00 0.00 175.10 176.01 1ll2 s PHE 100 N 1.13 3.93 -0.02 5.22 5.36 0.85 -0.92 117.98 133.53 1ll2 s PHE 100 Ca -0.06 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.79 1ll2 s PHE 100 Cb -0.20 -3.01 0.03 0.00 -0.34 0.00 0.00 43.02 39.50 1ll2 s PHE 100 CO -0.04 0.35 0.02 -1.64 -1.46 0.00 0.00 175.22 172.45 1ll2 s MET 101 N -1.01 0.05 0.65 10.12 -1.94 0.08 -1.58 119.30 125.67 1ll2 s MET 101 Ca 0.42 0.17 -0.18 0.00 -1.71 0.00 0.00 55.69 54.39 1ll2 s MET 101 Cb -0.26 -0.32 -0.02 0.00 2.01 0.00 0.00 34.83 36.24 1ll2 s MET 101 CO 0.32 -0.17 1.13 -0.25 -0.01 0.00 0.00 175.02 176.05 1ll2 n ASP 102 N 4.22 1.37 0.20 3.03 9.92 0.65 -4.17 116.55 131.77 1ll2 n ASP 102 Ca -0.27 0.79 0.14 0.00 -0.53 0.00 0.00 54.79 54.93 1ll2 n ASP 102 Cb 0.50 -1.48 0.62 0.00 -0.64 0.00 0.00 41.12 40.12 1ll2 n ASP 102 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ll2 h ALA 103 N 0.35 1.00 -0.98 2.24 0.00 -1.91 -2.79 119.26 117.18 1ll2 h ALA 103 Ca -0.50 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.83 1ll2 h ALA 103 Cb 1.35 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.84 1ll2 h ALA 103 CO 0.51 0.00 0.75 -0.40 0.00 0.00 0.00 179.25 180.11 1ll2 n ASP 104 N -2.60 5.64 -4.64 0.00 5.75 -1.26 -3.42 116.55 116.02 1ll2 n ASP 104 Ca 0.01 -3.67 -0.24 0.00 -0.01 0.00 0.00 54.79 50.88 1ll2 n ASP 104 Cb 0.23 -0.91 -0.08 0.00 -1.03 0.00 0.00 41.12 39.34 1ll2 n ASP 104 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ll2 s THR 105 N -3.96 2.82 -0.04 2.12 -4.23 -1.05 -1.55 115.64 109.74 1ll2 s THR 105 Ca 0.60 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1ll2 s THR 105 Cb 0.48 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 71.56 1ll2 s THR 105 CO 0.05 -0.24 0.09 -0.22 -0.54 0.00 0.00 174.62 173.76 1ll2 s LEU 106 N -3.72 0.88 -0.11 4.79 2.96 0.53 -4.40 118.68 119.61 1ll2 s LEU 106 Ca 0.34 0.18 -0.19 0.00 -0.22 0.00 0.00 54.13 54.24 1ll2 s LEU 106 Cb -0.02 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.79 1ll2 s LEU 106 CO 0.20 -0.14 0.50 -0.69 -1.32 0.00 0.00 176.35 174.90 1ll2 s VAL 107 N 1.14 5.17 -0.62 1.68 1.01 -1.26 -0.66 120.40 126.86 1ll2 s VAL 107 Ca -0.09 1.01 0.13 0.00 0.00 0.00 0.00 61.98 63.03 1ll2 s VAL 107 Cb -0.12 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 1ll2 s VAL 107 CO -0.05 0.32 0.57 0.18 0.00 0.00 0.00 175.10 176.12 1ll2 n LEU 108 N 3.66 0.62 -3.48 3.92 4.32 0.69 -4.81 117.00 121.93 1ll2 n LEU 108 Ca -0.06 -0.48 -0.11 0.00 -0.02 0.00 0.00 56.01 55.33 1ll2 n LEU 108 Cb 0.52 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1ll2 n LEU 108 CO 0.44 0.15 0.43 0.00 -1.22 0.00 0.00 177.39 177.19 1ll2 s ALA 109 N -2.30 -1.56 0.26 -1.18 0.00 -1.22 -4.99 121.76 110.77 1ll2 s ALA 109 Ca 0.05 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.11 1ll2 s ALA 109 Cb 0.10 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 23.96 1ll2 s ALA 109 CO 0.56 -0.80 1.63 -1.71 0.00 0.00 0.00 175.76 175.43 1ll2 n ASN 110 N -0.38 3.84 -0.86 0.00 5.15 -1.26 -4.89 115.26 116.85 1ll2 n ASN 110 Ca -0.15 1.12 0.05 0.00 -0.60 0.00 0.00 54.58 55.00 1ll2 n ASN 110 Cb 0.64 -1.58 0.14 0.00 -0.53 0.00 0.00 39.78 38.45 1ll2 n ASN 110 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1ll2 n ILE 111 N 2.75 1.40 0.29 -1.44 -5.35 -1.26 -4.79 119.36 110.96 1ll2 n ILE 111 Ca 0.11 -2.36 0.17 0.00 -0.27 0.00 0.00 62.75 60.40 1ll2 n ILE 111 Cb 0.36 0.19 0.82 0.00 -1.74 0.00 0.00 39.64 39.27 1ll2 n ILE 111 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1ll2 h ASP 112 N 0.91 0.00 0.43 7.28 3.32 -1.96 -1.60 116.42 124.80 1ll2 h ASP 112 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ll2 h ASP 112 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1ll2 h ASP 112 CO 0.03 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.65 1ll2 n ASP 113 N -2.72 0.19 0.27 6.45 5.75 -1.26 -1.90 116.55 123.33 1ll2 n ASP 113 Ca -0.01 0.56 0.13 0.00 -0.01 0.00 0.00 54.79 55.46 1ll2 n ASP 113 Cb 0.14 -0.59 0.76 0.00 -1.03 0.00 0.00 41.12 40.39 1ll2 n ASP 113 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1ll2 h LEU 114 N 0.00 0.00 0.00 -2.12 3.38 -1.69 -1.86 115.31 113.02 1ll2 h LEU 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ll2 h LEU 114 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ll2 h LEU 114 CO 0.00 0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.12 1ll2 n PHE 115 N -3.71 0.00 0.22 1.13 3.01 -0.80 -1.54 117.46 115.78 1ll2 n PHE 115 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 1ll2 n PHE 115 Cb 0.20 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.81 1ll2 n PHE 115 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ll2 h GLU 116 N 0.00 0.00 -7.47 -1.08 5.08 -1.55 -3.47 114.58 106.09 1ll2 h GLU 116 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1ll2 h GLU 116 Cb 0.00 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.33 1ll2 h GLU 116 CO 0.00 0.00 0.41 1.03 -1.00 0.00 0.00 179.01 179.45 1ll2 s ARG 117 N -3.25 2.83 0.25 2.33 1.81 -0.59 -5.10 118.95 117.24 1ll2 s ARG 117 Ca 0.05 0.48 0.10 0.00 -1.72 0.00 0.00 55.73 54.63 1ll2 s ARG 117 Cb 0.07 -2.02 -0.04 0.00 -0.45 0.00 0.00 34.95 32.51 1ll2 s ARG 117 CO 0.70 -1.06 -0.03 -1.21 -0.68 0.00 0.00 175.30 173.02 1ll2 s GLU 118 N -5.35 2.22 0.23 3.54 2.02 -1.26 -4.98 118.70 115.12 1ll2 s GLU 118 Ca 0.58 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 1ll2 s GLU 118 Cb -0.11 -2.14 -0.09 0.00 0.10 0.00 0.00 34.13 31.89 1ll2 s GLU 118 CO 0.52 0.38 1.32 -2.00 0.02 0.00 0.00 175.26 175.49 1ll2 s GLU 119 N -3.50 4.38 -0.26 1.61 2.12 -1.26 -2.17 118.70 119.63 1ll2 s GLU 119 Ca 0.30 2.10 -0.04 0.00 0.36 0.00 0.00 54.97 57.69 1ll2 s GLU 119 Cb -0.07 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.17 1ll2 s GLU 119 CO 0.19 -0.24 0.00 -1.17 -0.54 0.00 0.00 175.26 173.50 1ll2 s LEU 120 N -0.48 3.34 -0.12 2.70 1.98 -1.26 -5.02 118.68 119.83 1ll2 s LEU 120 Ca 0.55 -0.63 -0.02 0.00 -2.89 0.00 0.00 54.13 51.15 1ll2 s LEU 120 Cb -0.37 -1.78 -0.03 0.00 0.66 0.00 0.00 46.19 44.67 1ll2 s LEU 120 CO 0.41 -0.11 -0.06 -0.44 -1.89 0.00 0.00 176.35 174.26 1ll2 s SER 121 N 1.45 4.68 0.19 3.68 0.01 -0.92 -4.84 113.70 117.95 1ll2 s SER 121 Ca 0.03 -0.10 -0.23 0.00 1.31 0.00 0.00 55.95 56.97 1ll2 s SER 121 Cb -0.16 -1.52 0.06 0.00 0.21 0.00 0.00 66.02 64.61 1ll2 s SER 121 CO -0.01 0.25 0.64 0.00 0.41 0.00 0.00 173.24 174.53 1ll2 s ALA 122 N -0.15 -1.50 0.40 1.44 0.00 -0.32 -1.05 121.76 120.58 1ll2 s ALA 122 Ca 0.02 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 1ll2 s ALA 122 Cb -0.13 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 1ll2 s ALA 122 CO 0.03 -0.84 0.78 0.00 0.00 0.00 0.00 175.76 175.72 1ll2 s ALA 123 N -3.78 3.33 0.44 0.00 0.00 -1.26 -0.74 121.76 119.74 1ll2 s ALA 123 Ca 0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.60 1ll2 s ALA 123 Cb -0.02 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 1ll2 s ALA 123 CO -0.08 0.02 1.31 -2.14 0.00 0.00 0.00 175.76 174.87 1ll2 s PRO 124 N -3.75 3.79 -0.10 0.00 0.02 -1.26 -0.54 135.00 133.16 1ll2 s PRO 124 Ca 0.52 2.14 -0.19 0.00 0.02 0.00 0.00 61.00 63.50 1ll2 s PRO 124 Cb -0.10 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.75 1ll2 s PRO 124 CO 0.30 -0.64 0.51 0.34 -0.33 0.00 0.00 177.00 177.18 1ll2 s ASP 125 N -0.83 6.75 0.84 2.53 -1.08 -0.27 -4.44 116.67 120.17 1ll2 s ASP 125 Ca 0.60 0.89 -0.10 0.00 -0.52 0.00 0.00 52.55 53.42 1ll2 s ASP 125 Cb -0.38 -2.30 0.10 0.00 -1.46 0.00 0.00 42.92 38.88 1ll2 s ASP 125 CO 0.48 0.01 1.11 -2.84 0.52 0.00 0.00 175.17 174.45 1ll2 s PRO 126 N 0.48 1.70 0.00 4.34 0.02 -1.26 -2.45 135.00 137.83 1ll2 s PRO 126 Ca 0.27 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.58 1ll2 s PRO 126 Cb -0.16 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1ll2 s PRO 126 CO 0.12 -2.07 0.00 0.41 -0.33 0.00 0.00 177.00 175.12 1ll2 n GLY 127 N -0.65 2.08 2.60 0.52 0.00 -1.26 -4.65 105.19 103.83 1ll2 n GLY 127 Ca 0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1ll2 n GLY 127 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ll2 s TRP 128 N 0.00 1.68 0.28 1.61 -0.11 -1.22 -5.01 118.94 116.17 1ll2 s TRP 128 Ca 0.00 -2.33 0.24 0.00 1.22 0.00 0.00 56.10 55.22 1ll2 s TRP 128 Cb 0.00 -1.54 1.30 0.00 -1.50 0.00 0.00 33.47 31.73 1ll2 s TRP 128 CO 0.00 -0.78 1.69 -1.35 -4.62 0.00 0.00 176.95 171.90 1ll2 h PRO 129 N 6.37 0.00 -0.15 5.86 0.11 -1.75 -2.02 132.00 140.42 1ll2 h PRO 129 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1ll2 h PRO 129 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ll2 h PRO 129 CO 0.44 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.98 1ll2 n ASP 130 N -2.49 1.35 -4.46 -2.05 9.92 -1.26 -4.48 116.55 113.08 1ll2 n ASP 130 Ca -0.02 -1.70 -0.31 0.00 -0.53 0.00 0.00 54.79 52.23 1ll2 n ASP 130 Cb 0.27 -0.10 -0.13 0.00 -0.64 0.00 0.00 41.12 40.52 1ll2 n ASP 130 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ll2 s PHE 132 N -0.92 3.46 -0.16 0.00 -0.12 -1.26 -1.11 117.98 117.88 1ll2 s PHE 132 Ca 0.15 0.67 -0.26 0.00 -0.05 0.00 0.00 56.93 57.44 1ll2 s PHE 132 Cb -0.11 -2.11 -0.01 0.00 -0.63 0.00 0.00 43.02 40.16 1ll2 s PHE 132 CO 0.05 0.27 0.86 1.21 -0.05 0.00 0.00 175.22 177.56 1ll2 s ASN 133 N -2.79 7.01 -0.00 1.98 3.84 0.30 -4.63 114.94 120.64 1ll2 s ASN 133 Ca 0.44 1.24 0.00 0.00 0.21 0.00 0.00 52.86 54.75 1ll2 s ASN 133 Cb -0.11 -2.47 0.01 0.00 -0.55 0.00 0.00 41.25 38.13 1ll2 s ASN 133 CO 0.26 -0.40 0.93 -1.54 -2.79 0.00 0.00 177.10 173.56 1ll2 n SER 134 N 5.16 0.22 0.23 -4.21 3.41 -1.26 -3.81 113.62 113.35 1ll2 n SER 134 Ca 0.05 -2.00 0.14 0.00 -0.26 0.00 0.00 58.87 56.80 1ll2 n SER 134 Cb 0.49 -0.09 0.39 0.00 -0.26 0.00 0.00 64.21 64.74 1ll2 n SER 134 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ll2 h GLY 135 N 5.82 0.00 -6.22 5.00 0.00 -1.92 -3.43 103.07 102.32 1ll2 h GLY 135 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1ll2 h GLY 135 CO 0.00 0.00 -0.45 0.14 0.00 0.00 0.00 176.54 176.23 1ll2 s VAL 136 N -3.37 -0.48 -0.02 4.60 1.01 -1.25 -0.25 120.40 120.64 1ll2 s VAL 136 Ca 0.05 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 1ll2 s VAL 136 Cb 0.07 -0.54 0.07 0.00 0.00 0.00 0.00 36.38 35.98 1ll2 s VAL 136 CO 0.60 0.09 0.65 0.72 0.00 0.00 0.00 175.10 177.17 1ll2 s PHE 137 N 2.42 -0.62 -0.18 5.22 -0.12 -0.61 -4.21 117.98 119.88 1ll2 s PHE 137 Ca -0.01 0.97 -0.14 0.00 -0.05 0.00 0.00 56.93 57.70 1ll2 s PHE 137 Cb -0.12 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1ll2 s PHE 137 CO -0.10 -0.63 0.30 0.08 -0.05 0.00 0.00 175.22 174.82 1ll2 s VAL 138 N -1.55 5.29 0.24 -2.49 1.01 -0.21 -0.11 120.40 122.57 1ll2 s VAL 138 Ca -0.09 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 1ll2 s VAL 138 Cb -0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1ll2 s VAL 138 CO 0.07 0.35 0.26 -0.72 0.00 0.00 0.00 175.10 175.05 1ll2 s TYR 139 N 0.72 1.04 -0.23 5.22 -0.85 -0.07 -2.73 117.35 120.44 1ll2 s TYR 139 Ca 0.16 -1.26 0.02 0.00 -0.52 0.00 0.00 57.07 55.48 1ll2 s TYR 139 Cb -0.13 -0.36 0.05 0.00 0.38 0.00 0.00 41.96 41.89 1ll2 s TYR 139 CO 0.05 -0.79 -0.12 -1.14 -1.52 0.00 0.00 175.55 172.02 1ll2 s GLN 140 N -3.95 2.32 0.27 -3.49 0.74 -1.26 -1.30 119.66 112.99 1ll2 s GLN 140 Ca 0.35 -1.14 -0.29 0.00 0.05 0.00 0.00 55.36 54.32 1ll2 s GLN 140 Cb 0.04 -2.73 -0.14 0.00 1.10 0.00 0.00 33.01 31.28 1ll2 s GLN 140 CO 0.14 -0.48 1.12 -2.30 -0.55 0.00 0.00 175.29 173.23 1ll2 n PRO 141 N 4.52 1.50 -3.60 1.67 -0.02 -1.26 -4.97 135.00 132.84 1ll2 n PRO 141 Ca -0.15 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1ll2 n PRO 141 Cb 0.44 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1ll2 n PRO 141 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ll2 s SER 142 N -0.31 -0.56 0.27 2.55 0.15 0.11 -4.83 113.70 111.07 1ll2 s SER 142 Ca 0.62 0.86 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 1ll2 s SER 142 Cb -0.71 1.33 0.36 0.00 -1.71 0.00 0.00 66.02 65.29 1ll2 s SER 142 CO 0.57 -0.13 1.81 0.58 1.20 0.00 0.00 173.24 177.27 1ll2 h VAL 143 N 5.12 1.23 -0.05 4.45 2.07 -1.93 -0.72 116.25 126.42 1ll2 h VAL 143 Ca -0.26 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1ll2 h VAL 143 Cb 1.18 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1ll2 h VAL 143 CO 0.17 0.32 0.02 -0.33 0.02 0.00 0.00 177.57 177.77 1ll2 h GLU 144 N 0.83 0.08 -0.54 1.57 5.08 -1.96 -0.25 114.58 119.38 1ll2 h GLU 144 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ll2 h GLU 144 Cb 0.32 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1ll2 h GLU 144 CO 0.00 0.18 0.35 1.15 -1.00 0.00 0.00 179.01 179.69 1ll2 h THR 145 N -0.04 1.15 -0.11 1.13 2.02 -1.89 -0.67 112.91 114.50 1ll2 h THR 145 Ca 0.02 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 66.95 1ll2 h THR 145 Cb 0.13 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1ll2 h THR 145 CO -0.00 0.14 -0.13 0.22 0.37 0.00 0.00 175.52 176.13 1ll2 h TYR 146 N 0.73 -0.32 -0.84 3.16 3.20 -0.92 -0.04 116.97 121.94 1ll2 h TYR 146 Ca 0.20 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1ll2 h TYR 146 Cb -0.06 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1ll2 h TYR 146 CO -0.03 -0.19 0.55 -0.91 -1.64 0.00 0.00 178.16 175.94 1ll2 h ASN 147 N -0.16 0.89 -0.50 -2.11 2.35 -0.64 -0.21 115.58 115.20 1ll2 h ASN 147 Ca 0.08 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1ll2 h ASN 147 Cb 0.28 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1ll2 h ASN 147 CO -0.20 0.61 -0.09 1.56 -1.65 0.00 0.00 177.43 177.66 1ll2 h GLN 148 N 1.03 0.95 -0.45 0.81 4.20 -0.41 -1.18 115.11 120.05 1ll2 h GLN 148 Ca 0.33 -0.35 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 1ll2 h GLN 148 Cb 0.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1ll2 h GLN 148 CO -0.10 1.01 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.82 1ll2 h LEU 149 N 0.81 0.94 -0.89 1.46 3.38 -0.46 -2.16 115.31 118.39 1ll2 h LEU 149 Ca 0.13 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1ll2 h LEU 149 Cb 0.64 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1ll2 h LEU 149 CO 0.04 1.12 0.31 0.25 0.09 0.00 0.00 178.44 180.25 1ll2 h LEU 150 N 0.76 1.03 -0.63 1.67 5.85 -0.96 -0.90 115.31 122.12 1ll2 h LEU 150 Ca 0.11 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1ll2 h LEU 150 Cb 0.74 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1ll2 h LEU 150 CO 0.06 0.91 0.23 -0.74 -0.34 0.00 0.00 178.44 178.55 1ll2 h HIS 151 N 1.09 0.99 -0.43 1.25 2.76 -0.98 -0.90 115.15 118.93 1ll2 h HIS 151 Ca 0.25 -0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 58.21 1ll2 h HIS 151 Cb 0.20 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 1ll2 h HIS 151 CO 0.02 0.80 -0.23 0.28 -1.30 0.00 0.00 177.93 177.50 1ll2 h VAL 152 N 0.90 1.27 -0.72 5.26 2.07 -1.05 0.05 116.25 124.02 1ll2 h VAL 152 Ca 0.21 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1ll2 h VAL 152 Cb 0.25 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1ll2 h VAL 152 CO -0.01 0.47 0.41 0.00 0.02 0.00 0.00 177.57 178.45 1ll2 h ALA 153 N 0.97 0.92 -0.02 1.67 0.00 -0.86 0.08 119.26 122.02 1ll2 h ALA 153 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ll2 h ALA 153 Cb 0.77 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ll2 h ALA 153 CO 0.06 0.43 -0.02 1.03 0.00 0.00 0.00 179.25 180.75 1ll2 h SER 154 N 0.99 0.04 -0.39 0.00 0.87 -1.00 -1.12 113.55 112.95 1ll2 h SER 154 Ca 0.26 -0.51 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1ll2 h SER 154 Cb 0.02 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1ll2 h SER 154 CO -0.04 0.55 0.09 -0.08 -0.53 0.00 0.00 176.83 176.81 1ll2 h GLU 155 N -0.46 0.63 0.00 2.24 4.57 -0.88 -3.39 114.58 117.28 1ll2 h GLU 155 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1ll2 h GLU 155 Cb 0.54 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1ll2 h GLU 155 CO 0.00 0.66 0.00 0.00 -1.18 0.00 0.00 179.01 178.50 1ll2 n GLN 156 N -4.56 3.39 0.00 1.92 10.64 -0.02 -5.08 117.38 123.66 1ll2 n GLN 156 Ca -0.01 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1ll2 n GLN 156 Cb 0.21 -0.27 0.00 0.00 -0.86 0.00 0.00 30.24 29.32 1ll2 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ll2 n GLY 157 N 0.49 -0.19 3.09 2.61 0.00 -0.42 -4.83 105.19 105.92 1ll2 n GLY 157 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1ll2 n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ll2 s SER 158 N -4.00 1.92 0.36 1.61 0.15 -1.26 -4.60 113.70 107.88 1ll2 s SER 158 Ca 0.00 -0.31 0.25 0.00 0.70 0.00 0.00 55.95 56.58 1ll2 s SER 158 Cb 0.00 -0.60 1.30 0.00 -1.71 0.00 0.00 66.02 65.00 1ll2 s SER 158 CO 0.00 0.11 1.75 2.19 1.20 0.00 0.00 173.24 178.50 1ll2 h PHE 159 N 6.42 0.00 0.00 3.44 -5.15 -1.88 -2.01 116.94 117.76 1ll2 h PHE 159 Ca -0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.45 1ll2 h PHE 159 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 1ll2 h PHE 159 CO 0.45 0.00 -0.03 -0.40 -2.00 0.00 0.00 178.31 176.33 1ll2 n ASP 160 N -2.36 1.94 0.00 -0.68 5.75 -1.26 -4.99 116.55 114.95 1ll2 n ASP 160 Ca -0.01 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 1ll2 n ASP 160 Cb 0.07 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1ll2 n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ll2 n GLY 161 N -0.89 0.36 1.49 6.12 0.00 -0.76 -4.93 105.19 106.59 1ll2 n GLY 161 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1ll2 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ll2 n GLY 162 N -1.47 3.62 0.18 -0.02 0.00 -1.26 -4.63 105.19 101.61 1ll2 n GLY 162 Ca 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.14 1ll2 n GLY 162 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ll2 h ASP 163 N 0.83 0.08 -0.72 1.61 2.03 -1.93 -3.18 116.42 115.15 1ll2 h ASP 163 Ca -0.13 -0.03 0.03 0.00 -0.73 0.00 0.00 57.03 56.17 1ll2 h ASP 163 Cb 0.55 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 38.98 1ll2 h ASP 163 CO 0.19 0.48 0.45 -0.61 -1.03 0.00 0.00 179.24 178.72 1ll2 h GLN 164 N 0.07 0.85 -0.56 4.15 4.15 -1.95 0.14 115.11 121.95 1ll2 h GLN 164 Ca 0.00 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 1ll2 h GLN 164 Cb 0.75 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1ll2 h GLN 164 CO 0.06 0.56 0.15 0.78 -1.93 0.00 0.00 178.83 178.44 1ll2 h GLY 165 N 0.87 0.96 0.88 2.39 0.00 -1.91 -1.29 103.07 104.98 1ll2 h GLY 165 Ca 0.29 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1ll2 h GLY 165 CO -0.11 0.55 0.05 -2.00 0.00 0.00 0.00 176.54 175.03 1ll2 h LEU 166 N 0.80 0.16 -0.71 3.11 5.85 -1.41 -1.85 115.31 121.25 1ll2 h LEU 166 Ca 0.18 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1ll2 h LEU 166 Cb 0.33 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1ll2 h LEU 166 CO -0.00 0.26 0.03 -0.07 -0.34 0.00 0.00 178.44 178.32 1ll2 h LEU 167 N 0.05 0.99 -0.95 2.25 3.38 -0.68 -1.34 115.31 119.01 1ll2 h LEU 167 Ca 0.04 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1ll2 h LEU 167 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ll2 h LEU 167 CO -0.00 1.03 -0.19 0.78 0.09 0.00 0.00 178.44 180.14 1ll2 h ASN 168 N 0.94 0.54 -0.32 -0.43 2.35 -1.18 0.16 115.58 117.64 1ll2 h ASN 168 Ca 0.18 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 1ll2 h ASN 168 Cb 0.51 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1ll2 h ASN 168 CO 0.02 0.74 -0.27 0.74 -1.65 0.00 0.00 177.43 177.01 1ll2 h THR 169 N 0.49 1.29 -0.07 2.81 2.02 -1.03 -2.76 112.91 115.65 1ll2 h THR 169 Ca 0.08 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 1ll2 h THR 169 Cb 0.61 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1ll2 h THR 169 CO 0.04 0.47 -0.11 0.15 0.37 0.00 0.00 175.52 176.44 1ll2 h PHE 170 N 0.52 0.25 -2.59 3.16 3.04 -1.07 -3.26 116.94 117.00 1ll2 h PHE 170 Ca 0.06 -0.08 -0.80 0.00 3.98 0.00 0.00 57.97 61.12 1ll2 h PHE 170 Cb 0.84 -0.05 -0.26 0.00 2.56 0.00 0.00 35.95 39.04 1ll2 h PHE 170 CO 0.07 0.69 0.99 1.19 -2.02 0.00 0.00 178.31 179.22 1ll2 n PHE 171 N -4.65 2.41 1.84 0.41 3.01 0.55 -4.81 117.46 116.22 1ll2 n PHE 171 Ca -0.07 -2.58 0.14 0.00 1.01 0.00 0.00 57.45 55.95 1ll2 n PHE 171 Cb 0.34 -1.30 0.77 0.00 -0.01 0.00 0.00 39.48 39.28 1ll2 n PHE 171 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1ll2 n ASN 172 N 1.14 0.43 0.04 4.37 2.04 -1.04 -3.54 115.26 118.70 1ll2 n ASN 172 Ca 0.33 -1.21 0.12 0.00 -0.44 0.00 0.00 54.58 53.39 1ll2 n ASN 172 Cb 0.31 -0.01 0.26 0.00 -2.53 0.00 0.00 39.78 37.82 1ll2 n ASN 172 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1ll2 n SER 173 N -0.63 0.59 -0.32 0.53 7.64 -1.26 -4.50 113.62 115.67 1ll2 n SER 173 Ca 0.21 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1ll2 n SER 173 Cb 0.17 0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.45 1ll2 n SER 173 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1ll2 h TRP 174 N 0.00 -0.78 0.00 1.43 7.01 -1.82 -0.07 115.95 121.72 1ll2 h TRP 174 Ca 0.00 0.09 -0.05 0.00 2.11 0.00 0.00 58.89 61.04 1ll2 h TRP 174 Cb 0.66 0.47 -0.01 0.00 -2.10 0.00 0.00 29.16 28.18 1ll2 h TRP 174 CO 0.00 -0.39 -0.23 0.00 -2.79 0.00 0.00 178.44 175.03 1ll2 h ALA 175 N 1.53 1.29 -0.06 2.65 0.00 -1.79 -3.25 119.26 119.63 1ll2 h ALA 175 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ll2 h ALA 175 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ll2 h ALA 175 CO -0.89 0.29 0.00 0.25 0.00 0.00 0.00 179.25 178.90 1ll2 n THR 176 N -3.79 0.42 -3.96 0.00 -2.24 -0.83 -5.03 114.28 98.85 1ll2 n THR 176 Ca -0.02 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 60.89 1ll2 n THR 176 Cb 0.33 0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 69.25 1ll2 n THR 176 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ll2 s THR 177 N -0.63 0.20 -0.22 4.28 2.01 -0.10 -5.02 115.64 116.15 1ll2 s THR 177 Ca 0.07 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 1ll2 s THR 177 Cb 0.04 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.33 1ll2 s THR 177 CO 0.06 0.12 0.17 -0.67 -0.69 0.00 0.00 174.62 173.61 1ll2 n ASP 178 N 3.83 -2.73 0.31 3.53 -0.08 -1.26 -4.64 116.55 115.50 1ll2 n ASP 178 Ca -0.23 1.36 0.17 0.00 -1.51 0.00 0.00 54.79 54.58 1ll2 n ASP 178 Cb 0.53 -5.25 1.00 0.00 2.34 0.00 0.00 41.12 39.74 1ll2 n ASP 178 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1ll2 h ILE 179 N 3.71 0.36 0.00 5.18 6.09 -1.95 -0.99 117.51 129.91 1ll2 h ILE 179 Ca -0.39 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1ll2 h ILE 179 Cb 0.88 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.20 1ll2 h ILE 179 CO 0.04 0.01 0.00 0.03 -3.07 0.00 0.00 178.15 175.16 1ll2 h ARG 180 N 0.00 0.00 -0.01 2.19 2.47 -2.00 -1.68 114.38 115.35 1ll2 h ARG 180 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ll2 h ARG 180 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1ll2 h ARG 180 CO 0.00 0.00 -0.04 1.63 0.56 0.00 0.00 179.97 182.12 1ll2 n LYS 181 N -2.94 1.26 -3.09 0.04 5.02 -0.38 -4.55 118.16 113.51 1ll2 n LYS 181 Ca 0.00 -0.56 -0.44 0.00 -2.02 0.00 0.00 58.31 55.29 1ll2 n LYS 181 Cb 0.25 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1ll2 n LYS 181 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ll2 s HIS 182 N -2.13 2.97 0.26 2.13 3.76 -0.63 -1.18 115.29 120.47 1ll2 s HIS 182 Ca 0.38 -0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 54.14 1ll2 s HIS 182 Cb 0.21 -3.98 -0.09 0.00 1.11 0.00 0.00 32.58 29.83 1ll2 s HIS 182 CO 0.38 -1.30 1.15 -0.51 -0.85 0.00 0.00 174.74 173.62 1ll2 s LEU 183 N 2.83 4.51 0.48 0.89 1.43 0.08 -4.92 118.68 123.97 1ll2 s LEU 183 Ca 0.13 2.31 -0.22 0.00 -1.03 0.00 0.00 54.13 55.32 1ll2 s LEU 183 Cb -0.23 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.28 1ll2 s LEU 183 CO 0.07 -0.26 0.97 -2.65 0.23 0.00 0.00 176.35 174.72 1ll2 n PRO 184 N 1.53 1.20 0.20 1.29 -0.02 -1.26 -4.05 135.00 133.89 1ll2 n PRO 184 Ca 0.01 0.44 0.17 0.00 -2.02 0.00 0.00 63.50 62.09 1ll2 n PRO 184 Cb 0.44 -2.07 0.82 0.00 -0.02 0.00 0.00 33.50 32.67 1ll2 n PRO 184 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1ll2 h PHE 185 N 1.19 0.00 0.00 6.00 -0.00 -1.93 -1.34 116.94 120.86 1ll2 h PHE 185 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 1ll2 h PHE 185 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.30 1ll2 h PHE 185 CO 0.41 0.00 0.00 0.44 -0.00 0.00 0.00 178.31 179.16 1ll2 n ILE 186 N -3.88 0.55 1.30 1.41 -5.35 -1.26 -1.60 119.36 110.53 1ll2 n ILE 186 Ca 0.01 0.14 0.13 0.00 -0.27 0.00 0.00 62.75 62.76 1ll2 n ILE 186 Cb 0.31 -0.87 0.36 0.00 -1.74 0.00 0.00 39.64 37.70 1ll2 n ILE 186 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1ll2 n TYR 187 N -1.30 0.01 -2.71 4.28 4.01 -0.50 -0.61 117.16 120.33 1ll2 n TYR 187 Ca 0.07 -0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.74 1ll2 n TYR 187 Cb 0.13 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.25 1ll2 n TYR 187 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1ll2 n ASN 188 N 0.62 -2.06 -4.56 7.72 2.85 -0.63 -4.57 115.26 114.63 1ll2 n ASN 188 Ca 0.17 -3.00 -0.41 0.00 -0.11 0.00 0.00 54.58 51.23 1ll2 n ASN 188 Cb 0.45 1.61 -0.03 0.00 1.24 0.00 0.00 39.78 43.05 1ll2 n ASN 188 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ll2 s LEU 189 N -1.55 3.22 -0.13 1.20 2.96 -0.46 -4.83 118.68 119.09 1ll2 s LEU 189 Ca 0.24 -0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 1ll2 s LEU 189 Cb 0.28 -2.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1ll2 s LEU 189 CO -0.12 -1.82 1.82 -0.94 -1.32 0.00 0.00 176.35 173.97 1ll2 s SER 190 N 3.93 6.28 0.62 3.68 1.04 -1.26 -1.03 113.70 126.95 1ll2 s SER 190 Ca 0.39 2.04 0.14 0.00 0.48 0.00 0.00 55.95 59.00 1ll2 s SER 190 Cb -0.08 -2.53 0.78 0.00 0.10 0.00 0.00 66.02 64.29 1ll2 s SER 190 CO 0.17 -1.28 1.42 0.77 0.98 0.00 0.00 173.24 175.30 1ll2 h SER 191 N 11.29 0.00 0.24 7.02 4.64 -0.87 0.30 113.55 136.17 1ll2 h SER 191 Ca -0.40 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.70 1ll2 h SER 191 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ll2 h SER 191 CO 0.97 0.00 -0.90 0.16 -0.87 0.00 0.00 176.83 176.19 1ll2 h ILE 192 N 0.00 1.37 0.00 0.95 3.07 -1.82 -3.17 117.51 117.91 1ll2 h ILE 192 Ca 0.00 -2.32 0.00 0.00 1.55 0.00 0.00 64.86 64.09 1ll2 h ILE 192 Cb 1.28 2.32 0.00 0.00 -0.27 0.00 0.00 36.82 40.14 1ll2 h ILE 192 CO 0.00 0.70 0.17 -1.20 -1.05 0.00 0.00 178.15 176.78 1ll2 n SER 193 N -3.79 0.21 0.20 2.16 7.64 0.11 -0.21 113.62 119.93 1ll2 n SER 193 Ca -0.07 0.49 0.14 0.00 1.01 0.00 0.00 58.87 60.45 1ll2 n SER 193 Cb 0.81 -0.49 0.56 0.00 -1.01 0.00 0.00 64.21 64.08 1ll2 n SER 193 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ll2 h ILE 194 N 0.00 0.00 0.00 0.44 1.08 -1.70 -2.86 117.51 114.47 1ll2 h ILE 194 Ca 0.00 -0.42 -0.26 0.00 -0.39 0.00 0.00 64.86 63.80 1ll2 h ILE 194 Cb 0.35 1.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 1ll2 h ILE 194 CO 0.00 0.00 -1.81 0.00 -0.69 0.00 0.00 178.15 175.65 1ll2 n TYR 195 N -2.67 0.00 -0.16 1.37 -0.00 0.71 -4.00 117.16 112.40 1ll2 n TYR 195 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.82 1ll2 n TYR 195 Cb 0.29 -0.71 -0.04 0.00 -0.00 0.00 0.00 39.34 38.88 1ll2 n TYR 195 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1ll2 h SER 196 N -0.88 -1.48 -2.48 2.98 0.87 -1.62 -3.22 113.55 107.72 1ll2 h SER 196 Ca -0.39 0.23 -0.60 0.00 -1.23 0.00 0.00 61.79 59.80 1ll2 h SER 196 Cb 1.29 0.66 -0.41 0.00 -0.44 0.00 0.00 62.40 63.50 1ll2 h SER 196 CO -0.24 -0.36 -0.73 0.00 -0.53 0.00 0.00 176.83 174.98 1ll2 n TYR 197 N -5.41 2.19 -0.29 2.24 -0.00 -1.08 -4.94 117.16 109.88 1ll2 n TYR 197 Ca 0.00 -3.99 -0.05 0.00 -0.00 0.00 0.00 57.90 53.87 1ll2 n TYR 197 Cb 0.35 -0.42 0.07 0.00 -0.00 0.00 0.00 39.34 39.33 1ll2 n TYR 197 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 1ll2 h LEU 198 N 4.76 0.94 -0.78 2.98 5.85 -1.69 -2.35 115.31 125.03 1ll2 h LEU 198 Ca 0.17 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1ll2 h LEU 198 Cb 0.76 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1ll2 h LEU 198 CO 0.67 0.74 0.43 -0.65 -0.34 0.00 0.00 178.44 179.29 1ll2 h PRO 199 N 1.07 0.72 -0.60 5.25 0.11 -1.92 0.13 132.00 136.76 1ll2 h PRO 199 Ca 0.28 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1ll2 h PRO 199 Cb -0.03 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 1ll2 h PRO 199 CO -0.05 0.47 0.11 0.00 -0.21 0.00 0.00 178.00 178.32 1ll2 h ALA 200 N 1.43 0.80 -0.75 -0.75 0.00 -1.88 -1.55 119.26 116.56 1ll2 h ALA 200 Ca 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ll2 h ALA 200 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ll2 h ALA 200 CO -0.24 0.54 0.32 0.35 0.00 0.00 0.00 179.25 180.22 1ll2 h PHE 201 N 0.89 1.13 -0.56 0.00 3.57 -0.70 0.13 116.94 121.40 1ll2 h PHE 201 Ca 0.18 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1ll2 h PHE 201 Cb 0.40 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1ll2 h PHE 201 CO 0.03 0.85 0.14 0.87 -2.23 0.00 0.00 178.31 177.97 1ll2 h LYS 202 N 1.08 0.86 0.10 1.11 1.57 -0.47 1.20 116.57 122.01 1ll2 h LYS 202 Ca 0.25 -0.17 -0.27 0.00 -1.87 0.00 0.00 60.65 58.59 1ll2 h LYS 202 Cb 0.18 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1ll2 h LYS 202 CO -0.02 0.76 -1.18 0.00 -0.57 0.00 0.00 179.45 178.44 1ll2 h ALA 203 N 1.33 0.12 0.00 3.86 0.00 -0.82 -3.40 119.26 120.34 1ll2 h ALA 203 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ll2 h ALA 203 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ll2 h ALA 203 CO -0.00 0.83 -0.34 1.19 0.00 0.00 0.00 179.25 180.93 1ll2 n PHE 204 N -3.67 0.00 -0.30 0.00 3.01 0.40 -4.79 117.46 112.12 1ll2 n PHE 204 Ca -0.10 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.58 1ll2 n PHE 204 Cb 0.97 0.00 0.52 0.00 -0.01 0.00 0.00 39.48 40.96 1ll2 n PHE 204 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ll2 h GLY 205 N 0.00 1.02 1.93 1.37 0.00 0.14 -0.69 103.07 106.85 1ll2 h GLY 205 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1ll2 h GLY 205 CO 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 176.54 176.49 1ll2 h ALA 206 N 1.60 1.03 -0.25 3.60 0.00 -1.85 -0.23 119.26 123.16 1ll2 h ALA 206 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1ll2 h ALA 206 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ll2 h ALA 206 CO -0.24 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.08 1ll2 n ASN 207 N -2.74 2.25 -4.63 0.00 5.03 -0.27 -4.97 115.26 109.93 1ll2 n ASN 207 Ca -0.02 -1.82 -0.48 0.00 0.87 0.00 0.00 54.58 53.13 1ll2 n ASN 207 Cb 0.08 -0.16 -0.05 0.00 -1.02 0.00 0.00 39.78 38.64 1ll2 n ASN 207 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ll2 n ALA 208 N 0.71 0.35 -0.07 5.41 0.00 -0.10 -4.89 120.51 121.92 1ll2 n ALA 208 Ca 0.17 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 54.00 1ll2 n ALA 208 Cb 0.42 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 1ll2 n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ll2 n LYS 209 N 2.80 1.52 -3.84 0.00 5.02 0.22 -4.73 118.16 119.15 1ll2 n LYS 209 Ca 0.17 0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.29 1ll2 n LYS 209 Cb 0.25 -1.33 -0.17 0.00 -0.02 0.00 0.00 35.03 33.76 1ll2 n LYS 209 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ll2 s VAL 210 N -2.32 0.15 -0.15 -0.18 1.01 -0.35 -0.22 120.40 118.34 1ll2 s VAL 210 Ca -0.10 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1ll2 s VAL 210 Cb 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1ll2 s VAL 210 CO 0.49 0.17 0.09 -0.69 0.00 0.00 0.00 175.10 175.16 1ll2 s VAL 211 N 1.42 5.06 -0.22 2.92 1.01 0.17 -1.35 120.40 129.41 1ll2 s VAL 211 Ca -0.04 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1ll2 s VAL 211 Cb -0.13 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.06 1ll2 s VAL 211 CO -0.03 0.54 -0.15 -2.28 0.00 0.00 0.00 175.10 173.19 1ll2 s HIS 212 N -0.35 2.95 -1.04 5.22 5.04 -0.20 -0.35 115.29 126.56 1ll2 s HIS 212 Ca 0.10 -1.94 -0.07 0.00 -1.54 0.00 0.00 55.06 51.61 1ll2 s HIS 212 Cb -0.12 -1.89 -0.05 0.00 0.04 0.00 0.00 32.58 30.57 1ll2 s HIS 212 CO 0.01 -0.83 2.92 1.19 -2.34 0.00 0.00 174.74 175.69 1ll2 n PHE 213 N 4.54 1.85 -1.92 3.88 3.01 -0.60 -0.16 117.46 128.07 1ll2 n PHE 213 Ca -0.17 -2.53 -0.42 0.00 1.01 0.00 0.00 57.45 55.34 1ll2 n PHE 213 Cb 0.46 -1.98 -0.03 0.00 -0.01 0.00 0.00 39.48 37.92 1ll2 n PHE 213 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1ll2 s LEU 214 N -0.82 4.37 0.00 4.37 0.20 -1.26 -4.79 118.68 120.74 1ll2 s LEU 214 Ca 0.64 2.62 0.00 0.00 0.69 0.00 0.00 54.13 58.07 1ll2 s LEU 214 Cb 0.24 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 1ll2 s LEU 214 CO -0.08 -0.84 0.00 0.61 -0.29 0.00 0.00 176.35 175.75 1ll2 n GLY 215 N 3.81 0.97 0.14 7.98 0.00 -1.26 -4.65 105.19 112.17 1ll2 n GLY 215 Ca 0.14 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1ll2 n GLY 215 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ll2 h GLN 216 N 6.95 0.36 -5.61 1.61 1.08 -2.06 -3.42 115.11 114.02 1ll2 h GLN 216 Ca 0.00 -0.09 -0.60 0.00 -1.45 0.00 0.00 58.65 56.51 1ll2 h GLN 216 Cb 0.00 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.28 1ll2 h GLN 216 CO 0.00 0.47 0.27 0.99 -0.95 0.00 0.00 178.83 179.61 1ll2 s THR 217 N -5.30 4.93 0.29 -0.54 2.01 -1.26 -5.06 115.64 110.70 1ll2 s THR 217 Ca -0.14 1.26 0.06 0.00 0.31 0.00 0.00 61.69 63.18 1ll2 s THR 217 Cb 0.07 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1ll2 s THR 217 CO 0.72 -0.02 0.39 -0.54 -0.69 0.00 0.00 174.62 174.47 1ll2 s LYS 218 N 2.64 3.20 0.28 4.92 -0.14 -1.26 -4.91 119.74 124.47 1ll2 s LYS 218 Ca 0.29 -0.93 0.03 0.00 -1.36 0.00 0.00 55.97 53.99 1ll2 s LYS 218 Cb -0.15 -2.80 0.66 0.00 -1.68 0.00 0.00 37.83 33.86 1ll2 s LYS 218 CO 0.08 0.25 1.74 -1.35 -0.76 0.00 0.00 175.35 175.31 1ll2 h PRO 219 N 1.09 0.54 0.00 -1.68 0.11 -1.97 0.97 132.00 131.07 1ll2 h PRO 219 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ll2 h PRO 219 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ll2 h PRO 219 CO 0.57 0.36 0.00 -2.67 -0.21 0.00 0.00 178.00 176.05 1ll2 n TRP 220 N -4.92 0.00 1.13 0.65 2.14 -1.26 -2.20 117.44 112.98 1ll2 n TRP 220 Ca 0.21 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.90 1ll2 n TRP 220 Cb 0.56 -0.15 0.34 0.00 -0.81 0.00 0.00 31.31 31.24 1ll2 n TRP 220 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1ll2 n ASN 221 N -1.15 2.21 -4.90 -0.67 3.02 0.34 -4.91 115.26 109.20 1ll2 n ASN 221 Ca 0.10 -1.75 -0.20 0.00 -0.03 0.00 0.00 54.58 52.70 1ll2 n ASN 221 Cb 0.10 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 1ll2 n ASN 221 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ll2 s TYR 222 N -1.87 2.99 -0.16 3.10 1.51 -0.93 -4.98 117.35 117.01 1ll2 s TYR 222 Ca 0.34 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 56.06 1ll2 s TYR 222 Cb 0.20 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1ll2 s TYR 222 CO 0.31 0.14 0.11 0.99 -1.11 0.00 0.00 175.55 175.98 1ll2 s THR 223 N -2.25 5.23 -0.18 -0.71 2.01 -1.26 -5.01 115.64 113.47 1ll2 s THR 223 Ca 0.42 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.54 1ll2 s THR 223 Cb -0.07 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1ll2 s THR 223 CO 0.28 0.51 -0.19 -0.47 -0.69 0.00 0.00 174.62 174.06 1ll2 s TYR 224 N -0.13 2.79 -0.55 4.92 5.04 -1.26 -1.08 117.35 127.07 1ll2 s TYR 224 Ca 0.09 -1.60 -0.25 0.00 -2.44 0.00 0.00 57.07 52.87 1ll2 s TYR 224 Cb -0.12 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.30 1ll2 s TYR 224 CO 0.00 -0.79 1.00 0.34 -1.34 0.00 0.00 175.55 174.76 1ll2 s ASP 225 N 1.29 6.37 0.63 4.32 3.68 -0.75 -4.89 116.67 127.33 1ll2 s ASP 225 Ca 0.05 -0.22 0.40 0.00 2.13 0.00 0.00 52.55 54.91 1ll2 s ASP 225 Cb -0.13 -2.46 2.11 0.00 -1.45 0.00 0.00 42.92 40.99 1ll2 s ASP 225 CO -0.12 -1.28 2.27 0.71 0.13 0.00 0.00 175.17 176.88 1ll2 h THR 226 N 6.06 0.08 0.22 1.71 1.35 -1.95 0.80 112.91 121.18 1ll2 h THR 226 Ca -0.26 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1ll2 h THR 226 Cb 1.07 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1ll2 h THR 226 CO 1.11 0.01 -0.11 0.50 -0.25 0.00 0.00 175.52 176.78 1ll2 h LYS 227 N 0.00 -0.29 0.00 4.72 1.63 -1.96 -3.29 116.57 117.38 1ll2 h LYS 227 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ll2 h LYS 227 Cb 0.13 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1ll2 h LYS 227 CO 0.00 -0.19 0.00 0.25 -3.45 0.00 0.00 179.45 176.06 1ll2 n THR 228 N -4.03 0.02 -3.63 1.00 -2.24 -1.18 -4.93 114.28 99.28 1ll2 n THR 228 Ca -0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 1ll2 n THR 228 Cb 0.12 -0.51 0.04 0.00 -2.10 0.00 0.00 70.33 67.88 1ll2 n THR 228 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ll2 n LYS 229 N -1.36 -3.32 -3.63 -0.78 5.02 0.28 -5.00 118.16 109.37 1ll2 n LYS 229 Ca 0.12 0.61 -0.15 0.00 -2.02 0.00 0.00 58.31 56.86 1ll2 n LYS 229 Cb 0.27 -4.95 -0.07 0.00 -0.02 0.00 0.00 35.03 30.25 1ll2 n LYS 229 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ll2 s SER 230 N -3.94 -0.56 0.76 4.39 1.04 -1.02 -4.98 113.70 109.40 1ll2 s SER 230 Ca 0.22 0.81 -0.11 0.00 0.48 0.00 0.00 55.95 57.35 1ll2 s SER 230 Cb -0.06 0.78 0.05 0.00 0.10 0.00 0.00 66.02 66.89 1ll2 s SER 230 CO 0.82 -0.41 1.09 0.68 0.98 0.00 0.00 173.24 176.39 1ll2 s VAL 231 N -0.58 3.44 -1.00 5.02 -7.23 -1.26 -1.80 120.40 116.98 1ll2 s VAL 231 Ca -0.07 0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1ll2 s VAL 231 Cb -0.03 -2.99 0.31 0.00 0.56 0.00 0.00 36.38 34.23 1ll2 s VAL 231 CO 0.05 -0.61 1.50 -1.14 -0.31 0.00 0.00 175.10 174.59 1ll2 n ARG 232 N -3.46 4.54 0.00 4.82 0.63 -0.24 -4.88 116.66 118.07 1ll2 n ARG 232 Ca 0.09 -4.62 0.00 0.00 -0.92 0.00 0.00 57.85 52.40 1ll2 n ARG 232 Cb 0.53 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 30.98 1ll2 n ARG 232 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1ll2 n THR 240 N 0.76 0.00 -0.05 5.15 -1.04 -1.26 -4.66 114.28 113.18 1ll2 n THR 240 Ca 0.33 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.30 1ll2 n THR 240 Cb 0.32 -0.45 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 1ll2 n THR 240 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ll2 n HIS 241 N -0.13 0.00 -0.09 -1.42 -0.00 -1.26 -4.68 115.22 107.65 1ll2 n HIS 241 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1ll2 n HIS 241 Cb 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 29.99 29.43 1ll2 n HIS 241 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ll2 h PRO 242 N 0.00 0.05 -0.99 -1.40 0.11 -2.00 -2.50 132.00 125.26 1ll2 h PRO 242 Ca -0.28 -0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.07 1ll2 h PRO 242 Cb 1.58 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.49 1ll2 h PRO 242 CO 0.02 0.03 -0.07 0.00 -0.21 0.00 0.00 178.00 177.77 1ll2 n GLN 243 N -5.22 -0.08 -0.01 1.05 10.64 -1.26 0.73 117.38 123.24 1ll2 n GLN 243 Ca 0.01 1.51 -0.18 0.00 -1.83 0.00 0.00 57.00 56.51 1ll2 n GLN 243 Cb 0.18 -2.35 -0.09 0.00 -0.86 0.00 0.00 30.24 27.12 1ll2 n GLN 243 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1ll2 h PHE 244 N 0.00 0.89 -0.48 2.61 0.05 -1.77 -2.75 116.94 115.49 1ll2 h PHE 244 Ca 0.56 -0.43 -0.03 0.00 3.82 0.00 0.00 57.97 61.90 1ll2 h PHE 244 Cb 1.07 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 38.87 1ll2 h PHE 244 CO -0.59 1.24 0.19 -0.07 -0.18 0.00 0.00 178.31 178.90 1ll2 h LEU 245 N 0.29 0.63 -0.97 1.54 3.38 -0.21 -1.63 115.31 118.33 1ll2 h LEU 245 Ca -0.07 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1ll2 h LEU 245 Cb 1.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1ll2 h LEU 245 CO 0.15 0.57 -0.50 0.78 0.09 0.00 0.00 178.44 179.53 1ll2 h ASN 246 N 0.69 0.00 -0.25 -0.43 2.35 0.33 -1.14 115.58 117.14 1ll2 h ASN 246 Ca 0.17 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1ll2 h ASN 246 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1ll2 h ASN 246 CO -0.02 0.50 -0.27 0.58 -1.65 0.00 0.00 177.43 176.57 1ll2 h VAL 247 N 0.00 1.31 -0.05 2.81 2.07 -1.04 0.78 116.25 122.14 1ll2 h VAL 247 Ca -0.00 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1ll2 h VAL 247 Cb 0.91 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1ll2 h VAL 247 CO 0.06 0.45 -0.09 -0.25 0.02 0.00 0.00 177.57 177.77 1ll2 h TRP 248 N 0.33 -0.22 -0.04 1.57 7.01 -1.05 -1.80 115.95 121.74 1ll2 h TRP 248 Ca 0.04 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 1ll2 h TRP 248 Cb 0.84 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1ll2 h TRP 248 CO 0.08 -0.14 -0.32 -1.49 -2.79 0.00 0.00 178.44 173.78 1ll2 h TRP 249 N -0.13 0.09 -0.55 2.65 4.06 -1.15 -0.00 115.95 120.91 1ll2 h TRP 249 Ca 0.05 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 1ll2 h TRP 249 Cb 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 1ll2 h TRP 249 CO -0.18 0.39 0.16 0.22 -3.56 0.00 0.00 178.44 175.47 1ll2 h ASP 250 N 0.07 0.82 -0.27 -3.49 3.58 -0.35 0.27 116.42 117.05 1ll2 h ASP 250 Ca 0.01 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 1ll2 h ASP 250 Cb 0.60 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1ll2 h ASP 250 CO 0.04 0.82 -0.15 0.40 -2.88 0.00 0.00 179.24 177.47 1ll2 h ILE 251 N 0.77 1.30 -0.20 2.25 2.04 -0.94 0.14 117.51 122.86 1ll2 h ILE 251 Ca 0.18 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1ll2 h ILE 251 Cb 0.31 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1ll2 h ILE 251 CO -0.00 0.40 0.10 0.15 0.00 0.00 0.00 178.15 178.79 1ll2 h PHE 252 N 0.31 0.29 0.01 1.37 3.57 -0.82 0.12 116.94 121.80 1ll2 h PHE 252 Ca 0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ll2 h PHE 252 Cb 0.67 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1ll2 h PHE 252 CO 0.06 0.30 -0.01 1.15 -2.23 0.00 0.00 178.31 177.59 1ll2 h THR 253 N 0.20 1.18 -0.22 4.41 2.02 -0.45 0.13 112.91 120.18 1ll2 h THR 253 Ca 0.07 -0.57 -0.15 0.00 0.77 0.00 0.00 66.41 66.53 1ll2 h THR 253 Cb 0.11 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1ll2 h THR 253 CO -0.01 0.15 -0.43 0.74 0.37 0.00 0.00 175.52 176.34 1ll2 h THR 254 N -0.26 1.31 0.00 3.16 2.02 -0.70 -3.39 112.91 115.05 1ll2 h THR 254 Ca -0.00 -1.65 -0.23 0.00 0.77 0.00 0.00 66.41 65.30 1ll2 h THR 254 Cb 0.26 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1ll2 h THR 254 CO 0.00 0.52 -1.85 -1.20 0.37 0.00 0.00 175.52 173.36 1ll2 n SER 255 N -4.19 2.36 -0.02 4.18 7.64 0.41 -4.68 113.62 119.32 1ll2 n SER 255 Ca -0.06 -0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.66 1ll2 n SER 255 Cb 0.56 -0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1ll2 n SER 255 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ll2 h VAL 256 N -0.16 1.55 -0.15 0.44 2.07 -1.21 -3.14 116.25 115.65 1ll2 h VAL 256 Ca -0.35 -2.10 0.04 0.00 0.82 0.00 0.00 66.70 65.11 1ll2 h VAL 256 Cb 1.46 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 34.07 1ll2 h VAL 256 CO -0.11 0.58 -0.08 0.58 0.02 0.00 0.00 177.57 178.56 1ll2 h VAL 257 N -0.47 0.74 -0.48 2.57 2.07 -0.93 -0.52 116.25 119.23 1ll2 h VAL 257 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1ll2 h VAL 257 Cb 1.15 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1ll2 h VAL 257 CO 0.07 0.00 0.32 -0.65 0.02 0.00 0.00 177.57 177.33 1ll2 h PRO 258 N -0.07 0.45 -0.40 1.57 0.11 -1.77 -1.52 132.00 130.36 1ll2 h PRO 258 Ca 0.09 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 1ll2 h PRO 258 Cb 0.20 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1ll2 h PRO 258 CO -0.20 0.30 -0.24 1.25 -0.21 0.00 0.00 178.00 178.90 1ll2 h LEU 259 N 0.46 0.83 -1.73 2.35 5.85 -1.22 -2.36 115.31 119.49 1ll2 h LEU 259 Ca 0.20 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1ll2 h LEU 259 Cb 0.22 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ll2 h LEU 259 CO -0.05 1.03 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.92 1ll2 h LEU 260 N 0.70 0.00 -0.98 2.25 3.38 -0.11 0.22 115.31 120.77 1ll2 h LEU 260 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ll2 h LEU 260 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1ll2 h LEU 260 CO 0.06 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1ll2 n GLN 261 N -3.35 1.67 -0.63 1.13 1.13 -0.92 -5.04 117.38 111.37 1ll2 n GLN 261 Ca -0.01 -0.98 0.00 0.00 -1.94 0.00 0.00 57.00 54.07 1ll2 n GLN 261 Cb 0.28 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1ll2 n GLN 261 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66