#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqi s PRO 9 N 0.00 4.25 0.19 1.61 0.04 -1.26 -4.96 135.00 134.87 1sqi s PRO 9 Ca 0.00 2.31 -0.32 0.00 0.04 0.00 0.00 61.00 63.03 1sqi s PRO 9 Cb 0.00 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 1sqi s PRO 9 CO 0.00 -0.52 1.62 0.21 0.04 0.00 0.00 177.00 178.35 1sqi s LYS 10 N 0.58 4.18 0.32 4.56 2.20 -1.26 -4.95 119.74 125.36 1sqi s LYS 10 Ca 0.65 2.46 -0.29 0.00 -0.36 0.00 0.00 55.97 58.44 1sqi s LYS 10 Cb -0.42 -3.11 -0.11 0.00 -1.51 0.00 0.00 37.83 32.68 1sqi s LYS 10 CO 0.36 -0.65 1.45 -2.14 -0.36 0.00 0.00 175.35 174.00 1sqi s PRO 11 N 0.99 4.21 0.10 4.03 0.02 -1.26 -4.93 135.00 138.15 1sqi s PRO 11 Ca 0.71 2.42 -0.23 0.00 0.02 0.00 0.00 61.00 63.92 1sqi s PRO 11 Cb -0.46 -3.04 -0.13 0.00 0.02 0.00 0.00 34.50 30.89 1sqi s PRO 11 CO 0.33 -0.44 1.73 0.93 -0.33 0.00 0.00 177.00 179.21 1sqi h GLU 12 N 3.96 -0.03 -5.04 5.54 5.08 -2.02 -3.44 114.58 118.64 1sqi h GLU 12 Ca -0.48 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.40 1sqi h GLU 12 Cb 1.23 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 30.18 1sqi h GLU 12 CO 0.71 -0.02 -0.81 1.03 -1.00 0.00 0.00 179.01 178.92 1sqi s ARG 13 N -6.19 1.20 0.00 2.33 0.52 -1.26 -5.10 118.95 110.46 1sqi s ARG 13 Ca -0.13 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1sqi s ARG 13 Cb 0.07 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.42 1sqi s ARG 13 CO 0.66 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.62 1sqi n GLY 14 N 3.01 1.80 3.33 -3.53 0.00 -1.26 -4.72 105.19 103.81 1sqi n GLY 14 Ca -0.16 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 1sqi n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqi s ARG 15 N -3.27 0.50 -0.72 1.61 3.52 -1.14 -4.95 118.95 114.50 1sqi s ARG 15 Ca 0.00 0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 56.10 1sqi s ARG 15 Cb 0.00 0.24 0.19 0.00 -1.56 0.00 0.00 34.95 33.82 1sqi s ARG 15 CO 0.00 -0.06 0.63 -0.06 -0.81 0.00 0.00 175.30 174.99 1sqi s PHE 16 N 0.26 3.60 0.01 5.12 0.40 -1.26 -1.48 117.98 124.63 1sqi s PHE 16 Ca -0.00 -2.11 -0.05 0.00 -0.60 0.00 0.00 56.93 54.17 1sqi s PHE 16 Cb -0.03 -3.63 -0.03 0.00 0.51 0.00 0.00 43.02 39.84 1sqi s PHE 16 CO 0.00 -0.96 1.07 -0.07 0.70 0.00 0.00 175.22 175.97 1sqi h LEU 17 N 7.74 -0.16 -8.42 -0.37 3.38 -1.55 -3.44 115.31 112.49 1sqi h LEU 17 Ca 0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1sqi h LEU 17 Cb 1.03 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 1sqi h LEU 17 CO 0.78 -0.10 -0.40 -1.00 0.09 0.00 0.00 178.44 177.81 1sqi s HIS 18 N -3.38 0.78 -0.03 1.13 3.76 -1.20 -4.73 115.29 111.63 1sqi s HIS 18 Ca -0.02 -1.07 -0.29 0.00 -0.15 0.00 0.00 55.06 53.52 1sqi s HIS 18 Cb 0.00 -0.22 -0.08 0.00 1.11 0.00 0.00 32.58 33.39 1sqi s HIS 18 CO 0.08 -0.79 2.04 -0.06 -0.85 0.00 0.00 174.74 175.16 1sqi s PHE 19 N -4.09 1.24 0.04 1.40 0.40 -1.26 -1.00 117.98 114.71 1sqi s PHE 19 Ca 0.31 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.29 1sqi s PHE 19 Cb 0.04 -4.16 -0.33 0.00 0.51 0.00 0.00 43.02 39.08 1sqi s PHE 19 CO 0.10 -5.19 1.05 1.25 0.70 0.00 0.00 175.22 173.12 1sqi h HIS 20 N 11.85 1.00 0.00 0.36 -0.00 -0.60 -3.44 115.15 124.32 1sqi h HIS 20 Ca -0.47 -0.69 0.00 0.00 -0.00 0.00 0.00 60.37 59.21 1sqi h HIS 20 Cb 1.24 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1sqi h HIS 20 CO 0.95 1.53 0.00 -1.13 -0.00 0.00 0.00 177.93 179.28 1sqi n SER 21 N -3.75 0.00 -4.00 3.26 3.41 -1.22 -4.51 113.62 106.80 1sqi n SER 21 Ca -0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.16 1sqi n SER 21 Cb 1.05 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.84 1sqi n SER 21 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sqi s VAL 22 N -2.00 1.48 -0.21 -3.33 1.01 -0.50 -0.33 120.40 116.52 1sqi s VAL 22 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1sqi s VAL 22 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1sqi s VAL 22 CO 0.00 0.44 0.47 -0.89 0.00 0.00 0.00 175.10 175.12 1sqi s THR 23 N 1.49 5.14 -0.14 3.92 2.01 0.62 -1.08 115.64 127.60 1sqi s THR 23 Ca 0.04 0.83 -0.05 0.00 0.31 0.00 0.00 61.69 62.83 1sqi s THR 23 Cb -0.13 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1sqi s THR 23 CO -0.10 0.19 0.03 -0.36 -0.69 0.00 0.00 174.62 173.69 1sqi s PHE 24 N 1.64 3.21 -0.25 4.92 0.40 0.16 -0.58 117.98 127.48 1sqi s PHE 24 Ca 0.21 0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.54 1sqi s PHE 24 Cb -0.15 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1sqi s PHE 24 CO 0.09 0.28 0.11 -1.58 0.70 0.00 0.00 175.22 174.81 1sqi s TRP 25 N -0.18 3.15 0.03 0.36 0.52 -0.26 -0.80 118.94 121.77 1sqi s TRP 25 Ca 0.06 -0.18 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 1sqi s TRP 25 Cb -0.12 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1sqi s TRP 25 CO 0.02 -0.23 0.04 0.08 0.02 0.00 0.00 176.95 176.88 1sqi s VAL 26 N 1.50 0.14 0.19 4.03 1.01 0.58 -2.69 120.40 125.16 1sqi s VAL 26 Ca 0.06 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 1sqi s VAL 26 Cb -0.15 -0.82 0.11 0.00 0.00 0.00 0.00 36.38 35.52 1sqi s VAL 26 CO 0.06 -0.64 1.81 1.23 0.00 0.00 0.00 175.10 177.56 1sqi h GLY 27 N 3.86 0.97 -6.56 4.51 0.00 -1.92 -3.38 103.07 100.55 1sqi h GLY 27 Ca -0.33 -0.43 -0.58 0.00 0.00 0.00 0.00 47.33 45.99 1sqi h GLY 27 CO 0.50 0.41 -0.87 0.21 0.00 0.00 0.00 176.54 176.80 1sqi s ASN 28 N -5.94 2.66 0.18 0.19 3.84 -1.26 -4.92 114.94 109.68 1sqi s ASN 28 Ca -0.13 -2.44 -0.21 0.00 0.21 0.00 0.00 52.86 50.29 1sqi s ASN 28 Cb 0.14 -0.46 0.10 0.00 -0.55 0.00 0.00 41.25 40.48 1sqi s ASN 28 CO 0.78 -0.27 1.60 0.00 -2.79 0.00 0.00 177.10 176.42 1sqi h ALA 29 N 6.65 -0.08 -0.65 1.71 0.00 -1.83 0.51 119.26 125.57 1sqi h ALA 29 Ca 0.11 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1sqi h ALA 29 Cb 0.95 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 1sqi h ALA 29 CO 0.31 -0.68 0.24 -0.22 0.00 0.00 0.00 179.25 178.90 1sqi h LYS 30 N -0.20 0.40 0.00 0.00 3.64 -1.95 0.15 116.57 118.62 1sqi h LYS 30 Ca 0.21 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 1sqi h LYS 30 Cb 0.54 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1sqi h LYS 30 CO -0.60 0.27 -0.72 1.96 -2.27 0.00 0.00 179.45 178.09 1sqi h GLN 31 N 0.41 0.00 -0.26 1.90 4.20 -1.72 -1.86 115.11 117.79 1sqi h GLN 31 Ca 0.34 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.00 1sqi h GLN 31 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1sqi h GLN 31 CO -0.34 0.72 -0.03 0.00 -0.67 0.00 0.00 178.83 178.51 1sqi h ALA 32 N 1.28 0.35 -0.70 3.87 0.00 -0.21 -0.87 119.26 122.99 1sqi h ALA 32 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1sqi h ALA 32 Cb 1.36 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1sqi h ALA 32 CO 0.09 0.12 0.45 0.00 0.00 0.00 0.00 179.25 179.91 1sqi h ALA 33 N 0.79 0.90 -0.39 0.00 0.00 -0.72 -1.30 119.26 118.55 1sqi h ALA 33 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1sqi h ALA 33 Cb 0.47 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1sqi h ALA 33 CO 0.02 0.25 0.06 1.03 0.00 0.00 0.00 179.25 180.61 1sqi h SER 34 N 0.89 -0.03 0.25 0.00 0.87 -1.22 -1.74 113.55 112.57 1sqi h SER 34 Ca 0.27 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1sqi h SER 34 Cb -0.03 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1sqi h SER 34 CO -0.09 0.02 -0.12 0.15 -0.53 0.00 0.00 176.83 176.26 1sqi h PHE 35 N 0.18 -0.31 -0.50 2.24 3.57 -0.55 -1.15 116.94 120.42 1sqi h PHE 35 Ca 0.19 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1sqi h PHE 35 Cb 0.24 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1sqi h PHE 35 CO -0.21 -0.19 0.02 1.88 -2.23 0.00 0.00 178.31 177.58 1sqi h TYR 36 N -0.34 0.87 0.53 0.41 -1.99 -1.23 0.04 116.97 115.26 1sqi h TYR 36 Ca -0.03 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.55 1sqi h TYR 36 Cb 0.26 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 38.76 1sqi h TYR 36 CO -0.06 0.79 -0.26 0.00 -0.00 0.00 0.00 178.16 178.64 1sqi h ASN 38 N -1.01 0.15 0.40 0.00 2.35 -1.17 -2.09 115.58 114.21 1sqi h ASN 38 Ca -0.07 -0.22 -0.31 0.00 -0.55 0.00 0.00 56.30 55.14 1sqi h ASN 38 Cb 0.63 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1sqi h ASN 38 CO 0.12 0.34 -1.77 0.11 -1.65 0.00 0.00 177.43 174.58 1sqi h LYS 39 N -0.04 0.08 -0.01 0.81 1.79 -1.12 -3.39 116.57 114.69 1sqi h LYS 39 Ca 0.03 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1sqi h LYS 39 Cb 0.24 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1sqi h LYS 39 CO 0.00 0.71 -0.11 -1.33 -1.08 0.00 0.00 179.45 177.64 1sqi n MET 40 N -3.18 1.29 -0.53 3.15 2.81 -0.54 -4.46 117.12 115.66 1sqi n MET 40 Ca -0.21 -1.02 0.00 0.00 -1.81 0.00 0.00 57.70 54.66 1sqi n MET 40 Cb 1.05 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 32.35 1sqi n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sqi n GLY 41 N 0.85 0.71 3.86 3.03 0.00 -0.79 -4.91 105.19 107.93 1sqi n GLY 41 Ca 0.07 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1sqi n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqi s PHE 42 N -2.00 3.07 0.06 1.61 0.40 -1.10 -4.74 117.98 115.28 1sqi s PHE 42 Ca 0.00 0.99 0.05 0.00 -0.60 0.00 0.00 56.93 57.38 1sqi s PHE 42 Cb 0.00 -3.20 -0.03 0.00 0.51 0.00 0.00 43.02 40.31 1sqi s PHE 42 CO 0.00 -1.53 -0.15 -1.21 0.70 0.00 0.00 175.22 173.02 1sqi s GLU 43 N -5.35 0.94 0.16 0.44 0.41 0.47 -4.31 118.70 111.46 1sqi s GLU 43 Ca 0.60 -0.87 -0.31 0.00 -0.41 0.00 0.00 54.97 53.97 1sqi s GLU 43 Cb -0.12 -0.98 -0.11 0.00 -1.78 0.00 0.00 34.13 31.14 1sqi s GLU 43 CO 0.52 0.23 1.79 -1.25 -0.49 0.00 0.00 175.26 176.06 1sqi s PRO 44 N -1.41 4.13 -0.07 0.39 0.04 -1.26 0.09 135.00 136.91 1sqi s PRO 44 Ca 0.01 2.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 1sqi s PRO 44 Cb -0.09 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1sqi s PRO 44 CO 0.02 -0.81 -0.08 -0.11 0.04 0.00 0.00 177.00 176.06 1sqi n LEU 45 N 5.01 1.23 -3.88 -3.56 7.94 0.25 -4.85 117.00 119.15 1sqi n LEU 45 Ca 0.17 0.05 -0.08 0.00 -1.11 0.00 0.00 56.01 55.04 1sqi n LEU 45 Cb 0.37 -0.21 -0.03 0.00 0.53 0.00 0.00 43.42 44.07 1sqi n LEU 45 CO 0.65 0.28 0.37 0.00 -1.11 0.00 0.00 177.39 177.58 1sqi s ALA 46 N -2.13 -0.93 -0.04 1.96 0.00 -0.64 -4.18 121.76 115.80 1sqi s ALA 46 Ca -0.10 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1sqi s ALA 46 Cb 0.03 0.91 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1sqi s ALA 46 CO 0.13 -0.96 0.31 -0.47 0.00 0.00 0.00 175.76 174.78 1sqi s TYR 47 N -3.94 -0.22 -0.08 0.00 5.04 0.82 -0.13 117.35 118.84 1sqi s TYR 47 Ca 0.14 0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 55.14 1sqi s TYR 47 Cb -0.04 0.10 0.04 0.00 0.35 0.00 0.00 41.96 42.42 1sqi s TYR 47 CO 0.06 -0.34 0.18 0.21 -1.34 0.00 0.00 175.55 174.32 1sqi s LYS 48 N -0.99 0.10 0.00 4.97 2.20 -0.33 -0.39 119.74 125.29 1sqi s LYS 48 Ca -0.11 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1sqi s LYS 48 Cb -0.05 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 1sqi s LYS 48 CO 0.03 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1sqi n GLY 49 N 4.61 1.13 0.27 5.54 0.00 -1.26 0.95 105.19 116.43 1sqi n GLY 49 Ca -0.19 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.28 1sqi n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sqi h LEU 50 N 0.00 0.19 -2.09 0.99 3.38 -1.83 -0.68 115.31 115.27 1sqi h LEU 50 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1sqi h LEU 50 Cb 0.00 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sqi h LEU 50 CO 0.00 0.07 -0.08 -0.33 0.09 0.00 0.00 178.44 178.19 1sqi h GLU 51 N 0.38 0.00 -0.26 1.13 3.07 -1.96 -2.63 114.58 114.32 1sqi h GLU 51 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1sqi h GLU 51 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1sqi h GLU 51 CO -0.41 0.08 0.00 0.25 -1.40 0.00 0.00 179.01 177.52 1sqi n THR 52 N -3.90 0.36 -0.09 1.13 -2.24 -0.36 -4.95 114.28 104.24 1sqi n THR 52 Ca -0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1sqi n THR 52 Cb 0.17 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1sqi n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqi n GLY 53 N 1.27 0.78 3.55 3.38 0.00 -0.99 -4.91 105.19 108.27 1sqi n GLY 53 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1sqi n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sqi s SER 54 N -2.43 6.42 -0.03 1.61 0.15 -0.64 -4.93 113.70 113.85 1sqi s SER 54 Ca 0.00 -0.06 0.19 0.00 0.70 0.00 0.00 55.95 56.78 1sqi s SER 54 Cb 0.00 -2.37 -0.29 0.00 -1.71 0.00 0.00 66.02 61.65 1sqi s SER 54 CO 0.00 -0.84 0.42 0.54 1.20 0.00 0.00 173.24 174.56 1sqi n ARG 55 N 6.55 0.58 -0.08 5.44 1.74 -1.26 -2.82 116.66 126.81 1sqi n ARG 55 Ca 0.02 -0.17 -0.17 0.00 -0.77 0.00 0.00 57.85 56.75 1sqi n ARG 55 Cb 0.48 -1.44 -0.13 0.00 -1.02 0.00 0.00 32.46 30.35 1sqi n ARG 55 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sqi n GLU 56 N -2.13 0.69 -4.75 5.56 4.71 -1.26 -4.69 120.64 118.77 1sqi n GLU 56 Ca -0.03 0.18 -0.26 0.00 -0.01 0.00 0.00 57.16 57.03 1sqi n GLU 56 Cb 0.48 -1.60 -0.16 0.00 -1.01 0.00 0.00 31.44 29.15 1sqi n GLU 56 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1sqi s VAL 57 N -2.53 1.34 -0.11 2.62 1.01 -1.26 0.28 120.40 121.76 1sqi s VAL 57 Ca -0.26 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1sqi s VAL 57 Cb 0.08 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1sqi s VAL 57 CO 0.70 0.40 0.04 0.54 0.00 0.00 0.00 175.10 176.77 1sqi s VAL 58 N 0.36 4.66 -0.08 2.92 0.11 -0.56 -4.37 120.40 123.44 1sqi s VAL 58 Ca -0.10 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1sqi s VAL 58 Cb -0.14 -2.99 0.03 0.00 -1.53 0.00 0.00 36.38 31.74 1sqi s VAL 58 CO 0.04 0.59 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.93 1sqi s SER 59 N -0.76 1.70 -0.27 3.54 0.01 0.27 -2.18 113.70 116.01 1sqi s SER 59 Ca 0.12 -0.15 -0.10 0.00 1.31 0.00 0.00 55.95 57.13 1sqi s SER 59 Cb -0.12 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1sqi s SER 59 CO 0.03 -0.16 0.15 -1.00 0.41 0.00 0.00 173.24 172.67 1sqi s HIS 60 N 1.80 3.18 -0.22 2.43 3.76 0.08 -1.19 115.29 125.13 1sqi s HIS 60 Ca 0.04 -0.06 -0.08 0.00 -0.15 0.00 0.00 55.06 54.80 1sqi s HIS 60 Cb -0.13 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 1sqi s HIS 60 CO -0.06 -0.23 0.09 0.08 -0.85 0.00 0.00 174.74 173.78 1sqi s VAL 61 N 1.71 4.79 0.18 -0.90 1.01 0.81 -0.52 120.40 127.49 1sqi s VAL 61 Ca 0.07 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1sqi s VAL 61 Cb -0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1sqi s VAL 61 CO 0.09 0.39 -0.14 0.27 0.00 0.00 0.00 175.10 175.71 1sqi s ILE 62 N 0.98 1.57 -0.07 2.22 -4.36 -0.19 0.88 121.20 122.22 1sqi s ILE 62 Ca 0.05 -2.10 -0.14 0.00 -0.26 0.00 0.00 60.65 58.20 1sqi s ILE 62 Cb -0.14 -1.92 0.03 0.00 1.25 0.00 0.00 42.46 41.68 1sqi s ILE 62 CO 0.03 -0.59 0.33 -0.75 0.24 0.00 0.00 174.94 174.20 1sqi s LYS 63 N -3.49 0.54 -0.11 0.37 2.20 0.11 -0.89 119.74 118.47 1sqi s LYS 63 Ca 0.19 0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.90 1sqi s LYS 63 Cb -0.01 0.25 0.05 0.00 -1.51 0.00 0.00 37.83 36.61 1sqi s LYS 63 CO 0.05 -0.12 0.25 -1.14 -0.36 0.00 0.00 175.35 174.03 1sqi s GLN 64 N -0.57 0.18 5.06 4.03 0.74 -0.25 -0.39 119.66 128.46 1sqi s GLN 64 Ca -0.07 0.61 0.00 0.00 0.05 0.00 0.00 55.36 55.95 1sqi s GLN 64 Cb -0.04 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 33.97 1sqi s GLN 64 CO 0.02 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1sqi n GLY 65 N 4.68 3.41 0.89 2.59 0.00 -1.20 -0.05 105.19 115.51 1sqi n GLY 65 Ca -0.18 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1sqi n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqi n LYS 66 N 14.00 2.22 -2.67 1.61 5.02 0.42 -4.92 118.16 133.83 1sqi n LYS 66 Ca 0.00 -1.79 -0.43 0.00 -2.02 0.00 0.00 58.31 54.08 1sqi n LYS 66 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 1sqi n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sqi s ILE 67 N -1.88 4.74 -0.20 -0.18 1.01 0.93 -4.85 121.20 120.76 1sqi s ILE 67 Ca 0.32 2.03 0.01 0.00 0.00 0.00 0.00 60.65 63.02 1sqi s ILE 67 Cb 0.21 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1sqi s ILE 67 CO 0.31 -0.06 -0.16 -0.69 0.00 0.00 0.00 174.94 174.33 1sqi s VAL 68 N 2.46 2.02 -0.12 2.92 1.01 -1.26 -1.09 120.40 126.33 1sqi s VAL 68 Ca 0.47 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1sqi s VAL 68 Cb -0.17 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1sqi s VAL 68 CO 0.14 0.34 -0.01 -0.36 0.00 0.00 0.00 175.10 175.21 1sqi s PHE 69 N 1.26 3.11 -0.20 5.22 2.99 -0.07 -1.41 117.98 128.87 1sqi s PHE 69 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 56.93 56.89 1sqi s PHE 69 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 43.02 40.97 1sqi s PHE 69 CO -0.10 0.22 -0.07 0.08 -0.00 0.00 0.00 175.22 175.36 1sqi s VAL 70 N -0.23 3.24 -0.23 -0.44 1.01 -0.24 -1.02 120.40 122.49 1sqi s VAL 70 Ca 0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1sqi s VAL 70 Cb -0.13 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1sqi s VAL 70 CO 0.02 0.45 -0.00 -0.76 0.00 0.00 0.00 175.10 174.81 1sqi s LEU 71 N 1.29 3.10 0.02 3.92 1.43 0.32 0.40 118.68 129.16 1sqi s LEU 71 Ca 0.03 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1sqi s LEU 71 Cb -0.14 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1sqi s LEU 71 CO -0.03 -0.02 -0.22 0.00 0.23 0.00 0.00 176.35 176.31 1sqi s SER 73 N -0.90 0.69 0.50 0.00 0.01 -0.93 -0.31 113.70 112.76 1sqi s SER 73 Ca 0.08 -0.62 -0.22 0.00 1.31 0.00 0.00 55.95 56.50 1sqi s SER 73 Cb -0.09 0.07 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 1sqi s SER 73 CO 0.01 -0.29 1.20 0.00 0.41 0.00 0.00 173.24 174.56 1sqi s ALA 74 N -1.85 2.86 -0.12 1.44 0.00 -1.26 -1.50 121.76 121.33 1sqi s ALA 74 Ca -0.08 0.99 0.18 0.00 0.00 0.00 0.00 51.96 53.05 1sqi s ALA 74 Cb -0.07 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.45 1sqi s ALA 74 CO -0.01 -0.84 0.64 1.28 0.00 0.00 0.00 175.76 176.83 1sqi n LEU 75 N -0.80 0.59 -4.65 0.00 4.77 0.14 -4.80 117.00 112.25 1sqi n LEU 75 Ca 0.09 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 56.04 1sqi n LEU 75 Cb 0.48 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1sqi n LEU 75 CO 0.47 0.19 -0.36 0.20 -1.33 0.00 0.00 177.39 176.56 1sqi s ASN 76 N -5.56 4.78 0.57 -1.43 0.01 -1.26 -5.08 114.94 106.97 1sqi s ASN 76 Ca -0.05 -0.30 -0.19 0.00 -0.71 0.00 0.00 52.86 51.62 1sqi s ASN 76 Cb 0.09 -1.04 -0.07 0.00 0.41 0.00 0.00 41.25 40.63 1sqi s ASN 76 CO 0.83 0.15 0.71 -2.65 -1.51 0.00 0.00 177.10 174.63 1sqi n PRO 77 N 0.39 0.69 -3.23 -0.60 -0.02 -1.26 -3.46 135.00 127.51 1sqi n PRO 77 Ca -0.11 0.27 -0.23 0.00 -2.02 0.00 0.00 63.50 61.40 1sqi n PRO 77 Cb 0.53 -1.88 0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1sqi n PRO 77 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sqi n TRP 78 N -1.63 -2.00 -1.75 6.00 7.02 -1.26 -4.94 117.44 118.87 1sqi n TRP 78 Ca 0.12 0.56 -0.42 0.00 -1.02 0.00 0.00 57.50 56.74 1sqi n TRP 78 Cb 0.47 -4.01 -0.03 0.00 -2.42 0.00 0.00 31.31 25.32 1sqi n TRP 78 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1sqi s ASN 79 N -2.79 6.23 0.02 -0.99 3.84 -1.23 -4.91 114.94 115.11 1sqi s ASN 79 Ca 0.38 2.30 -0.20 0.00 0.21 0.00 0.00 52.86 55.55 1sqi s ASN 79 Cb -0.18 -2.53 -0.11 0.00 -0.55 0.00 0.00 41.25 37.88 1sqi s ASN 79 CO 0.47 -1.28 1.06 0.50 -2.79 0.00 0.00 177.10 175.06 1sqi h LYS 80 N 11.56 -0.69 0.00 0.43 1.63 -1.95 -0.33 116.57 127.22 1sqi h LYS 80 Ca -0.44 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1sqi h LYS 80 Cb 1.22 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 1sqi h LYS 80 CO 0.95 -0.46 -0.00 1.49 -3.45 0.00 0.00 179.45 177.98 1sqi h GLU 81 N -0.89 -0.00 -0.20 1.90 4.81 -1.99 -0.10 114.58 118.11 1sqi h GLU 81 Ca -0.07 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1sqi h GLU 81 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1sqi h GLU 81 CO 0.12 0.23 -0.60 0.52 -0.73 0.00 0.00 179.01 178.56 1sqi h MET 82 N -0.23 0.66 0.11 1.92 2.86 -1.99 -2.09 114.93 116.17 1sqi h MET 82 Ca -0.00 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1sqi h MET 82 Cb 0.23 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1sqi h MET 82 CO 0.00 1.07 -0.10 0.78 1.06 0.00 0.00 176.91 179.72 1sqi h GLY 83 N 0.92 -0.22 0.87 8.32 0.00 -0.98 -0.84 103.07 111.15 1sqi h GLY 83 Ca -0.00 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1sqi h GLY 83 CO 0.12 -0.11 0.10 -0.55 0.00 0.00 0.00 176.54 176.11 1sqi h ASP 84 N -0.23 0.15 -0.50 0.19 3.32 -1.02 -0.90 116.42 117.43 1sqi h ASP 84 Ca 0.00 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.14 1sqi h ASP 84 Cb 0.22 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1sqi h ASP 84 CO -0.02 0.12 0.13 -0.74 -1.72 0.00 0.00 179.24 177.01 1sqi h HIS 85 N 0.23 0.23 -0.49 4.55 2.76 -1.27 0.79 115.15 121.95 1sqi h HIS 85 Ca 0.10 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1sqi h HIS 85 Cb 0.04 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1sqi h HIS 85 CO -0.10 0.04 0.08 1.25 -1.30 0.00 0.00 177.93 177.90 1sqi h LEU 86 N 0.29 0.77 -0.68 0.26 5.85 -0.84 0.41 115.31 121.36 1sqi h LEU 86 Ca 0.25 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1sqi h LEU 86 Cb 0.31 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1sqi h LEU 86 CO -0.30 0.83 -0.05 0.58 -0.34 0.00 0.00 178.44 179.16 1sqi h VAL 87 N 0.67 1.26 -0.06 1.05 2.07 -0.88 0.08 116.25 120.45 1sqi h VAL 87 Ca 0.15 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1sqi h VAL 87 Cb 0.38 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sqi h VAL 87 CO 0.01 0.42 -0.09 0.50 0.02 0.00 0.00 177.57 178.42 1sqi h LYS 88 N 0.88 0.17 0.00 1.57 3.64 -0.69 -3.39 116.57 118.76 1sqi h LYS 88 Ca 0.15 -0.10 -0.27 0.00 -1.27 0.00 0.00 60.65 59.16 1sqi h LYS 88 Cb 0.59 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1sqi h LYS 88 CO 0.04 0.66 -2.18 0.72 -2.27 0.00 0.00 179.45 176.42 1sqi n HIS 89 N -4.68 0.00 -4.10 1.91 8.25 0.12 -4.27 115.22 112.45 1sqi n HIS 89 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1sqi n HIS 89 Cb 0.34 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.63 1sqi n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqi n GLY 90 N 1.78 -1.89 3.71 -1.41 0.00 0.02 -4.79 105.19 102.60 1sqi n GLY 90 Ca -0.25 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1sqi n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sqi s ASP 91 N -4.00 6.40 0.06 1.61 1.11 -1.26 -4.63 116.67 115.95 1sqi s ASP 91 Ca 0.00 2.82 -0.22 0.00 0.18 0.00 0.00 52.55 55.32 1sqi s ASP 91 Cb 0.00 -2.58 0.08 0.00 1.07 0.00 0.00 42.92 41.48 1sqi s ASP 91 CO 0.00 -0.99 1.04 0.61 1.18 0.00 0.00 175.17 177.01 1sqi n GLY 92 N 4.10 0.44 3.72 0.21 0.00 -1.09 -4.88 105.19 107.68 1sqi n GLY 92 Ca 0.17 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1sqi n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqi s VAL 93 N -2.07 4.34 -0.24 1.61 1.01 -1.26 -1.10 120.40 122.69 1sqi s VAL 93 Ca 0.24 1.72 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 1sqi s VAL 93 Cb -0.01 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1sqi s VAL 93 CO 0.02 0.16 -0.30 1.17 0.00 0.00 0.00 175.10 176.15 1sqi n LYS 94 N 3.70 0.51 -4.16 2.72 3.00 0.25 -4.79 118.16 119.38 1sqi n LYS 94 Ca 0.07 0.21 -0.15 0.00 -0.00 0.00 0.00 58.31 58.44 1sqi n LYS 94 Cb 0.48 -1.35 -0.13 0.00 0.00 0.00 0.00 35.03 34.03 1sqi n LYS 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1sqi s ASP 95 N -7.04 0.83 -0.32 3.14 -1.08 -0.90 -1.62 116.67 109.67 1sqi s ASP 95 Ca -0.33 -0.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.43 1sqi s ASP 95 Cb 0.12 -0.04 0.08 0.00 -1.46 0.00 0.00 42.92 41.63 1sqi s ASP 95 CO 0.43 -0.03 0.02 -0.63 0.52 0.00 0.00 175.17 175.48 1sqi s ILE 96 N -0.63 2.49 0.19 4.11 1.01 -0.81 -0.28 121.20 127.29 1sqi s ILE 96 Ca -0.02 -1.99 -0.30 0.00 0.00 0.00 0.00 60.65 58.34 1sqi s ILE 96 Cb -0.05 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 1sqi s ILE 96 CO 0.00 -0.40 1.03 0.00 0.00 0.00 0.00 174.94 175.57 1sqi s ALA 97 N 1.04 3.34 -0.18 9.38 0.00 0.55 -3.31 121.76 132.57 1sqi s ALA 97 Ca 0.03 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 1sqi s ALA 97 Cb -0.20 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1sqi s ALA 97 CO -0.06 -0.06 -0.05 -0.06 0.00 0.00 0.00 175.76 175.54 1sqi s PHE 98 N -0.56 2.97 0.01 0.00 2.99 -0.50 0.13 117.98 123.02 1sqi s PHE 98 Ca 0.46 -0.57 -0.30 0.00 0.00 0.00 0.00 56.93 56.52 1sqi s PHE 98 Cb -0.28 -2.01 -0.04 0.00 0.00 0.00 0.00 43.02 40.69 1sqi s PHE 98 CO 0.34 -0.26 1.07 -2.00 -0.00 0.00 0.00 175.22 174.37 1sqi s GLU 99 N 0.83 4.49 0.28 0.44 2.12 -0.17 -1.08 118.70 125.62 1sqi s GLU 99 Ca -0.01 1.56 0.06 0.00 0.36 0.00 0.00 54.97 56.94 1sqi s GLU 99 Cb -0.15 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 1sqi s GLU 99 CO 0.02 -0.17 -0.04 0.14 -0.54 0.00 0.00 175.26 174.67 1sqi s VAL 100 N 1.18 1.54 -0.09 3.70 -7.23 0.30 -1.33 120.40 118.47 1sqi s VAL 100 Ca 0.54 -2.10 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1sqi s VAL 100 Cb -0.24 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1sqi s VAL 100 CO 0.27 -0.26 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.13 1sqi s GLU 101 N -3.76 3.02 -0.71 4.82 2.02 -0.55 -4.48 118.70 119.07 1sqi s GLU 101 Ca 0.30 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 1sqi s GLU 101 Cb 0.05 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1sqi s GLU 101 CO 0.12 0.54 0.63 -3.47 0.02 0.00 0.00 175.26 173.10 1sqi n ASP 102 N 2.61 -5.58 0.02 -0.19 -0.08 -1.26 -2.90 116.55 109.17 1sqi n ASP 102 Ca -0.18 -0.40 -0.10 0.00 -1.51 0.00 0.00 54.79 52.60 1sqi n ASP 102 Cb 0.53 -3.97 -0.03 0.00 2.34 0.00 0.00 41.12 39.99 1sqi n ASP 102 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sqi h GLU 104 N -0.32 0.60 -0.26 0.00 4.39 -1.98 -0.57 114.58 116.44 1sqi h GLU 104 Ca 0.09 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 1sqi h GLU 104 Cb 0.45 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1sqi h GLU 104 CO -0.28 0.40 -0.51 1.25 -1.16 0.00 0.00 179.01 178.71 1sqi h HIS 105 N 0.62 1.02 -0.37 4.33 2.76 -1.91 0.19 115.15 121.78 1sqi h HIS 105 Ca 0.35 -0.37 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1sqi h HIS 105 Cb 0.36 -0.19 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 1sqi h HIS 105 CO -0.10 1.18 -0.10 0.82 -1.30 0.00 0.00 177.93 178.43 1sqi h ILE 106 N 0.57 0.62 -0.19 6.26 2.04 -1.04 0.14 117.51 125.90 1sqi h ILE 106 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1sqi h ILE 106 Cb 1.12 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1sqi h ILE 106 CO 0.11 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.97 1sqi h VAL 107 N -0.01 1.05 -0.15 1.67 2.07 -1.09 -1.32 116.25 118.48 1sqi h VAL 107 Ca 0.18 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1sqi h VAL 107 Cb 0.28 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1sqi h VAL 107 CO -0.39 0.05 -0.54 -0.61 0.02 0.00 0.00 177.57 176.10 1sqi h GLN 108 N 0.26 -0.55 -0.66 1.57 4.15 0.09 0.30 115.11 120.27 1sqi h GLN 108 Ca 0.07 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.66 1sqi h GLN 108 Cb -0.03 0.13 -0.09 0.00 0.21 0.00 0.00 27.48 27.70 1sqi h GLN 108 CO -0.02 -0.37 0.16 -0.22 -1.93 0.00 0.00 178.83 176.45 1sqi h LYS 109 N -0.57 0.27 -0.42 1.69 1.63 -0.61 -0.12 116.57 118.43 1sqi h LYS 109 Ca 0.04 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1sqi h LYS 109 Cb 0.68 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1sqi h LYS 109 CO -0.44 0.18 -0.07 0.00 -3.45 0.00 0.00 179.45 175.66 1sqi h ALA 110 N 1.53 0.58 -0.18 5.00 0.00 -0.92 -1.40 119.26 123.87 1sqi h ALA 110 Ca 0.35 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1sqi h ALA 110 Cb 0.55 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1sqi h ALA 110 CO -0.44 0.43 -0.19 -0.09 0.00 0.00 0.00 179.25 178.96 1sqi h ARG 111 N 0.62 -0.21 0.00 0.00 2.43 0.69 0.13 114.38 118.04 1sqi h ARG 111 Ca 0.11 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1sqi h ARG 111 Cb 0.59 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1sqi h ARG 111 CO 0.04 -0.14 -0.34 0.93 -1.51 0.00 0.00 179.97 178.94 1sqi h GLU 112 N -0.22 0.00 -0.05 0.20 5.08 -0.99 -2.72 114.58 115.88 1sqi h GLU 112 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1sqi h GLU 112 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1sqi h GLU 112 CO -0.31 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 1sqi n ARG 113 N -3.88 1.69 0.00 2.33 1.74 -0.53 -4.92 116.66 113.09 1sqi n ARG 113 Ca -0.01 -1.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 1sqi n ARG 113 Cb 0.41 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1sqi n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqi n GLY 114 N 1.17 1.06 3.74 -0.13 0.00 -0.62 -4.84 105.19 105.56 1sqi n GLY 114 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1sqi n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqi s ALA 115 N -2.00 2.32 -0.27 4.61 0.00 0.36 -4.97 121.76 121.81 1sqi s ALA 115 Ca 0.00 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 1sqi s ALA 115 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1sqi s ALA 115 CO 0.00 -1.57 0.60 0.21 0.00 0.00 0.00 175.76 175.00 1sqi s LYS 116 N -3.65 4.03 -0.57 0.00 2.20 -1.26 -4.58 119.74 115.91 1sqi s LYS 116 Ca 0.76 0.41 -0.24 0.00 -0.36 0.00 0.00 55.97 56.54 1sqi s LYS 116 Cb -0.30 -3.67 0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1sqi s LYS 116 CO 0.40 -0.45 0.97 0.42 -0.36 0.00 0.00 175.35 176.33 1sqi s ILE 117 N 2.49 4.34 0.10 5.43 -1.09 -1.26 -2.45 121.20 128.75 1sqi s ILE 117 Ca 0.25 0.22 -0.16 0.00 -2.23 0.00 0.00 60.65 58.72 1sqi s ILE 117 Cb -0.15 -4.58 -0.06 0.00 -1.58 0.00 0.00 42.46 36.08 1sqi s ILE 117 CO 0.10 -1.20 1.50 0.58 -1.23 0.00 0.00 174.94 174.68 1sqi h VAL 118 N 6.02 1.28 -3.16 2.92 2.07 -0.95 -3.42 116.25 121.01 1sqi h VAL 118 Ca -0.27 -1.11 -0.46 0.00 0.82 0.00 0.00 66.70 65.69 1sqi h VAL 118 Cb 1.07 1.37 -0.40 0.00 -1.52 0.00 0.00 31.29 31.81 1sqi h VAL 118 CO 1.11 0.36 -0.75 -0.60 0.02 0.00 0.00 177.57 177.71 1sqi s ARG 119 N -4.78 0.21 0.46 1.57 3.52 -0.84 -4.96 118.95 114.14 1sqi s ARG 119 Ca -0.13 -0.06 -0.22 0.00 -0.13 0.00 0.00 55.73 55.19 1sqi s ARG 119 Cb 0.08 -1.60 -0.11 0.00 -1.56 0.00 0.00 34.95 31.77 1sqi s ARG 119 CO 0.78 -0.58 0.73 0.39 -0.81 0.00 0.00 175.30 175.82 1sqi n GLU 120 N 5.22 0.84 -1.46 5.12 -0.58 -1.26 -1.35 120.64 127.17 1sqi n GLU 120 Ca -0.07 0.31 -0.52 0.00 -0.42 0.00 0.00 57.16 56.46 1sqi n GLU 120 Cb 0.49 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.54 1sqi n GLU 120 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1sqi n PRO 121 N 0.19 0.19 -3.64 3.49 -0.02 -1.26 -4.79 135.00 129.16 1sqi n PRO 121 Ca 0.11 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 1sqi n PRO 121 Cb 0.41 -1.32 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 1sqi n PRO 121 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1sqi s TRP 122 N -0.55 -0.19 -0.10 6.00 -2.14 -0.62 -5.00 118.94 116.34 1sqi s TRP 122 Ca 0.74 -0.13 0.03 0.00 2.66 0.00 0.00 56.10 59.41 1sqi s TRP 122 Cb -1.03 0.25 -0.01 0.00 -3.10 0.00 0.00 33.47 29.58 1sqi s TRP 122 CO 0.56 -0.70 -0.18 0.08 -2.66 0.00 0.00 176.95 174.05 1sqi s VAL 123 N -3.81 2.65 0.04 -0.66 1.01 -1.26 -0.21 120.40 118.16 1sqi s VAL 123 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1sqi s VAL 123 Cb 0.02 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1sqi s VAL 123 CO -0.12 0.55 -0.05 -1.61 0.00 0.00 0.00 175.10 173.87 1sqi s GLU 124 N 0.06 2.50 -0.03 2.72 2.02 0.11 -4.96 118.70 121.11 1sqi s GLU 124 Ca -0.07 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1sqi s GLU 124 Cb -0.15 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.61 1sqi s GLU 124 CO 0.05 0.58 -0.04 -2.00 0.02 0.00 0.00 175.26 173.87 1sqi s GLU 125 N -1.74 0.62 0.49 1.61 2.12 -1.26 -0.47 118.70 120.06 1sqi s GLU 125 Ca 0.20 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.48 1sqi s GLU 125 Cb -0.11 -0.66 -0.01 0.00 0.26 0.00 0.00 34.13 33.61 1sqi s GLU 125 CO 0.11 -0.05 0.15 0.34 -0.54 0.00 0.00 175.26 175.28 1sqi s ASP 126 N 0.70 4.31 0.00 -1.70 -1.08 -0.29 -4.90 116.67 113.71 1sqi s ASP 126 Ca -0.08 -1.41 0.20 0.00 -0.52 0.00 0.00 52.55 50.74 1sqi s ASP 126 Cb -0.12 0.23 0.92 0.00 -1.46 0.00 0.00 42.92 42.50 1sqi s ASP 126 CO -0.00 -0.84 1.65 2.29 0.52 0.00 0.00 175.17 178.79 1sqi n LYS 127 N -1.38 0.09 -0.08 4.34 2.85 -1.26 -2.80 118.16 119.92 1sqi n LYS 127 Ca -0.10 0.13 0.12 0.00 -1.05 0.00 0.00 58.31 57.42 1sqi n LYS 127 Cb 0.66 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.75 1sqi n LYS 127 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1sqi n PHE 128 N -1.44 0.20 0.00 5.58 3.01 -1.26 -5.05 117.46 118.51 1sqi n PHE 128 Ca 0.06 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1sqi n PHE 128 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1sqi n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqi n GLY 129 N 1.37 0.93 3.10 1.37 0.00 -1.12 -1.34 105.19 109.50 1sqi n GLY 129 Ca 0.17 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 1sqi n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqi s LYS 130 N -1.79 0.93 -0.03 1.61 2.20 -1.24 -1.14 119.74 120.29 1sqi s LYS 130 Ca 0.00 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1sqi s LYS 130 Cb 0.00 -0.91 0.01 0.00 -1.51 0.00 0.00 37.83 35.41 1sqi s LYS 130 CO 0.00 0.24 -0.08 0.08 -0.36 0.00 0.00 175.35 175.22 1sqi s VAL 131 N -0.54 0.77 -0.13 4.02 1.01 0.38 -1.01 120.40 124.89 1sqi s VAL 131 Ca 0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1sqi s VAL 131 Cb -0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1sqi s VAL 131 CO 0.00 0.25 0.09 -0.75 0.00 0.00 0.00 175.10 174.69 1sqi s LYS 132 N 0.34 3.51 0.21 2.72 2.20 0.25 0.05 119.74 129.03 1sqi s LYS 132 Ca -0.05 -0.25 0.10 0.00 -0.36 0.00 0.00 55.97 55.41 1sqi s LYS 132 Cb -0.10 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 1sqi s LYS 132 CO 0.01 0.62 -0.19 -0.06 -0.36 0.00 0.00 175.35 175.36 1sqi s PHE 133 N -0.58 2.02 0.01 4.03 0.40 0.71 -0.21 117.98 124.36 1sqi s PHE 133 Ca 0.12 -0.43 -0.17 0.00 -0.60 0.00 0.00 56.93 55.85 1sqi s PHE 133 Cb -0.12 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.49 1sqi s PHE 133 CO 0.02 0.49 0.36 0.00 0.70 0.00 0.00 175.22 176.79 1sqi s ALA 134 N -2.33 -0.89 -0.13 5.36 0.00 -0.85 -1.59 121.76 121.33 1sqi s ALA 134 Ca 0.22 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1sqi s ALA 134 Cb -0.05 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1sqi s ALA 134 CO 0.10 -0.35 -0.21 0.08 0.00 0.00 0.00 175.76 175.38 1sqi s VAL 135 N -1.86 1.94 0.17 0.00 1.01 -0.46 0.13 120.40 121.33 1sqi s VAL 135 Ca -0.10 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.06 1sqi s VAL 135 Cb -0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1sqi s VAL 135 CO 0.02 0.53 -0.06 -0.76 0.00 0.00 0.00 175.10 174.83 1sqi s LEU 136 N 0.81 3.12 -0.29 3.92 1.02 0.13 -0.28 118.68 127.11 1sqi s LEU 136 Ca -0.08 -0.48 -0.14 0.00 0.02 0.00 0.00 54.13 53.45 1sqi s LEU 136 Cb -0.16 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 1sqi s LEU 136 CO -0.01 0.11 0.31 -1.58 0.02 0.00 0.00 176.35 175.19 1sqi s GLN 137 N -2.81 3.85 0.00 1.70 2.00 -1.03 -0.59 119.66 122.78 1sqi s GLN 137 Ca 0.26 -0.22 0.00 0.00 -2.00 0.00 0.00 55.36 53.40 1sqi s GLN 137 Cb -0.09 -3.70 0.00 0.00 0.80 0.00 0.00 33.01 30.02 1sqi s GLN 137 CO 0.16 -0.32 0.00 -2.37 -0.50 0.00 0.00 175.29 172.26 1sqi n THR 138 N 5.13 0.00 -1.56 -0.34 5.66 -0.05 -4.73 114.28 118.39 1sqi n THR 138 Ca -0.10 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.54 1sqi n THR 138 Cb 0.51 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.37 1sqi n THR 138 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1sqi s TYR 139 N 2.93 2.04 0.00 1.09 -0.85 -1.26 -4.48 117.35 116.82 1sqi s TYR 139 Ca 0.00 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 1sqi s TYR 139 Cb 0.00 -3.58 0.00 0.00 0.38 0.00 0.00 41.96 38.76 1sqi s TYR 139 CO 0.00 -2.78 0.00 0.41 -1.52 0.00 0.00 175.55 171.66 1sqi n GLY 140 N 0.66 3.36 1.16 5.49 0.00 -1.26 -0.63 105.19 113.96 1sqi n GLY 140 Ca 0.15 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1sqi n GLY 140 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqi n ASP 141 N 4.52 3.50 -4.74 1.61 10.43 -1.26 -4.99 116.55 125.62 1sqi n ASP 141 Ca 0.00 -1.98 -0.41 0.00 2.57 0.00 0.00 54.79 54.97 1sqi n ASP 141 Cb 0.00 -0.28 -0.04 0.00 1.84 0.00 0.00 41.12 42.64 1sqi n ASP 141 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1sqi s THR 142 N -1.40 3.86 0.32 -3.53 2.01 0.20 -4.91 115.64 112.19 1sqi s THR 142 Ca 0.39 1.61 0.10 0.00 0.31 0.00 0.00 61.69 64.10 1sqi s THR 142 Cb 0.23 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1sqi s THR 142 CO 0.31 0.28 -0.03 0.42 -0.69 0.00 0.00 174.62 174.91 1sqi s THR 143 N -0.25 2.70 -0.18 -0.82 -4.23 -0.64 -0.87 115.64 111.35 1sqi s THR 143 Ca 0.49 -2.04 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1sqi s THR 143 Cb -0.29 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1sqi s THR 143 CO 0.35 -0.26 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.09 1sqi s HIS 144 N -2.49 2.90 -0.29 3.99 3.76 0.24 -1.92 115.29 121.48 1sqi s HIS 144 Ca 0.33 -0.80 -0.13 0.00 -0.15 0.00 0.00 55.06 54.32 1sqi s HIS 144 Cb -0.02 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 1sqi s HIS 144 CO 0.19 -0.38 0.29 0.99 -0.85 0.00 0.00 174.74 174.97 1sqi s THR 145 N 0.94 5.24 0.06 1.30 2.01 -1.21 -0.70 115.64 123.28 1sqi s THR 145 Ca -0.01 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 1sqi s THR 145 Cb -0.15 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1sqi s THR 145 CO 0.00 0.15 0.98 -0.76 -0.69 0.00 0.00 174.62 174.30 1sqi s LEU 146 N 1.91 4.44 -0.20 4.42 1.43 0.12 -1.41 118.68 129.39 1sqi s LEU 146 Ca 0.11 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 1sqi s LEU 146 Cb -0.16 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.51 1sqi s LEU 146 CO 0.11 -0.17 -0.14 -0.69 0.23 0.00 0.00 176.35 175.69 1sqi s VAL 147 N 0.49 1.85 -0.24 -1.59 1.01 -0.24 -2.00 120.40 119.68 1sqi s VAL 147 Ca 0.50 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1sqi s VAL 147 Cb -0.23 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1sqi s VAL 147 CO 0.29 0.30 -0.12 -0.70 0.00 0.00 0.00 175.10 174.86 1sqi s GLU 148 N 1.33 2.33 -0.12 2.72 2.12 0.71 -0.54 118.70 127.25 1sqi s GLU 148 Ca 0.00 -1.16 -0.18 0.00 0.36 0.00 0.00 54.97 53.99 1sqi s GLU 148 Cb -0.15 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 1sqi s GLU 148 CO -0.10 -0.48 0.46 0.15 -0.54 0.00 0.00 175.26 174.75 1sqi s LYS 149 N 1.19 4.33 -0.81 4.30 1.02 -1.26 -0.58 119.74 127.93 1sqi s LYS 149 Ca -0.05 0.41 -0.08 0.00 0.02 0.00 0.00 55.97 56.27 1sqi s LYS 149 Cb -0.18 -3.44 0.21 0.00 -0.52 0.00 0.00 37.83 33.90 1sqi s LYS 149 CO -0.07 0.17 0.71 0.42 -0.92 0.00 0.00 175.35 175.66 1sqi s ILE 150 N 0.61 4.91 -1.22 2.17 1.01 -0.18 -4.69 121.20 123.80 1sqi s ILE 150 Ca 0.25 -2.94 -0.25 0.00 0.00 0.00 0.00 60.65 57.71 1sqi s ILE 150 Cb -0.15 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.28 1sqi s ILE 150 CO 0.10 -1.01 0.66 -3.20 0.00 0.00 0.00 174.94 171.49 1sqi n ASN 151 N 3.43 -3.95 -4.59 3.58 4.05 -1.26 -3.62 115.26 112.89 1sqi n ASN 151 Ca 0.14 -1.17 -0.42 0.00 0.45 0.00 0.00 54.58 53.59 1sqi n ASN 151 Cb 0.42 -2.42 -0.06 0.00 1.23 0.00 0.00 39.78 38.95 1sqi n ASN 151 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1sqi s TYR 152 N -3.59 3.16 -1.77 1.20 5.04 -1.26 -4.57 117.35 115.55 1sqi s TYR 152 Ca 0.42 0.56 0.18 0.00 -2.44 0.00 0.00 57.07 55.79 1sqi s TYR 152 Cb -0.19 -3.22 0.42 0.00 0.35 0.00 0.00 41.96 39.32 1sqi s TYR 152 CO 0.93 -0.62 1.34 0.25 -1.34 0.00 0.00 175.55 176.11 1sqi n THR 153 N 5.61 0.74 -1.54 4.34 -2.24 -0.45 -4.98 114.28 115.76 1sqi n THR 153 Ca 0.01 -0.87 -0.15 0.00 -2.27 0.00 0.00 64.05 60.78 1sqi n THR 153 Cb 0.48 0.73 0.10 0.00 -2.10 0.00 0.00 70.33 69.55 1sqi n THR 153 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqi n GLY 154 N 1.18 -1.18 0.17 3.38 0.00 -1.26 -4.99 105.19 102.48 1sqi n GLY 154 Ca 0.17 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 1sqi n GLY 154 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sqi h ARG 155 N 0.00 0.29 0.00 1.61 0.11 -1.93 -3.46 114.38 111.00 1sqi h ARG 155 Ca -0.22 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1sqi h ARG 155 Cb 0.61 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1sqi h ARG 155 CO 0.16 0.83 0.00 0.34 0.10 0.00 0.00 179.97 181.40 1sqi n PHE 156 N -3.86 -0.02 -3.65 4.08 -0.00 -1.26 -5.02 117.46 107.73 1sqi n PHE 156 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.30 1sqi n PHE 156 Cb 0.65 0.15 -0.06 0.00 -0.00 0.00 0.00 39.48 40.22 1sqi n PHE 156 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1sqi s LEU 157 N -2.92 0.35 0.19 -2.13 1.43 -1.26 -5.07 118.68 109.26 1sqi s LEU 157 Ca 0.00 -0.01 -0.33 0.00 -1.03 0.00 0.00 54.13 52.76 1sqi s LEU 157 Cb 0.00 1.79 -0.14 0.00 0.03 0.00 0.00 46.19 47.88 1sqi s LEU 157 CO 0.00 -0.69 1.53 -2.65 0.23 0.00 0.00 176.35 174.78 1sqi n PRO 158 N 0.43 2.15 0.00 1.29 -0.02 -1.26 -2.01 135.00 135.58 1sqi n PRO 158 Ca -0.18 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1sqi n PRO 158 Cb 0.60 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1sqi n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqi n GLY 159 N 3.01 3.15 3.68 -1.23 0.00 -1.26 -4.97 105.19 107.57 1sqi n GLY 159 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1sqi n GLY 159 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqi s PHE 160 N -2.87 3.40 0.56 1.61 0.40 -0.85 -4.79 117.98 115.44 1sqi s PHE 160 Ca 0.00 0.76 0.05 0.00 -0.60 0.00 0.00 56.93 57.14 1sqi s PHE 160 Cb 0.00 -2.61 0.05 0.00 0.51 0.00 0.00 43.02 40.97 1sqi s PHE 160 CO 0.00 -0.02 0.40 -1.21 0.70 0.00 0.00 175.22 175.09 1sqi s GLU 161 N 1.35 2.23 0.26 0.44 2.02 0.47 -4.74 118.70 120.73 1sqi s GLU 161 Ca 0.23 -2.08 -0.23 0.00 0.02 0.00 0.00 54.97 52.91 1sqi s GLU 161 Cb -0.15 -2.06 -0.15 0.00 0.10 0.00 0.00 34.13 31.87 1sqi s GLU 161 CO 0.09 -0.67 0.32 0.00 0.02 0.00 0.00 175.26 175.02 1sqi n ALA 162 N -1.80 -2.78 -1.67 5.21 0.00 -1.26 -0.13 120.51 118.09 1sqi n ALA 162 Ca -0.03 0.28 -0.48 0.00 0.00 0.00 0.00 53.44 53.21 1sqi n ALA 162 Cb 0.65 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1sqi n ALA 162 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sqi n PRO 163 N 1.04 2.01 0.00 0.00 -0.02 -1.26 -4.10 135.00 132.67 1sqi n PRO 163 Ca 0.14 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1sqi n PRO 163 Cb 0.28 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1sqi n PRO 163 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1sqi n THR 164 N 4.21 0.00 -1.00 3.45 5.66 -1.26 -4.85 114.28 120.49 1sqi n THR 164 Ca 0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 1sqi n THR 164 Cb 0.27 -1.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1sqi n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sqi n TYR 165 N -0.99 0.00 -3.47 1.09 0.18 -1.26 -5.18 117.16 107.52 1sqi n TYR 165 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 1sqi n TYR 165 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 1sqi n TYR 165 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1sqi s LYS 166 N 2.13 1.13 -0.30 -3.48 2.20 -1.26 -5.11 119.74 115.04 1sqi s LYS 166 Ca 0.00 -0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1sqi s LYS 166 Cb 0.00 0.52 0.08 0.00 -1.51 0.00 0.00 37.83 36.93 1sqi s LYS 166 CO 0.00 -0.44 0.00 0.34 -0.36 0.00 0.00 175.35 174.89 1sqi s ASP 167 N -2.08 4.40 0.23 1.43 -1.08 -1.26 -5.00 116.67 113.31 1sqi s ASP 167 Ca -0.03 -1.72 0.25 0.00 -0.52 0.00 0.00 52.55 50.52 1sqi s ASP 167 Cb -0.01 -1.41 0.91 0.00 -1.46 0.00 0.00 42.92 40.96 1sqi s ASP 167 CO -0.04 -0.32 1.74 1.07 0.52 0.00 0.00 175.17 178.15 1sqi n THR 168 N 4.46 0.71 0.14 1.71 5.66 -1.26 -2.38 114.28 123.33 1sqi n THR 168 Ca -0.04 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1sqi n THR 168 Cb 0.42 -0.90 0.13 0.00 -1.55 0.00 0.00 70.33 68.44 1sqi n THR 168 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1sqi h LEU 169 N 0.00 0.00 -1.03 1.09 5.85 -2.02 -3.39 115.31 115.82 1sqi h LEU 169 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1sqi h LEU 169 Cb 0.53 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1sqi h LEU 169 CO 0.00 0.55 0.64 -0.07 -0.34 0.00 0.00 178.44 179.23 1sqi h LEU 170 N 0.00 1.03 -0.52 2.25 3.38 -1.87 -0.94 115.31 118.64 1sqi h LEU 170 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sqi h LEU 170 Cb 1.25 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1sqi h LEU 170 CO 0.07 0.66 0.00 -0.81 0.09 0.00 0.00 178.44 178.45 1sqi n PRO 171 N -4.50 0.21 0.00 1.13 -0.04 -1.26 -2.55 135.00 127.99 1sqi n PRO 171 Ca 0.15 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1sqi n PRO 171 Cb 0.19 -1.85 0.40 0.00 -0.04 0.00 0.00 33.50 32.19 1sqi n PRO 171 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sqi n LYS 172 N -2.23 0.59 -3.82 0.54 5.02 -0.36 -4.88 118.16 113.01 1sqi n LYS 172 Ca 0.03 -0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 55.69 1sqi n LYS 172 Cb 0.28 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1sqi n LYS 172 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sqi s LEU 173 N -2.63 4.32 0.34 -0.35 1.43 -1.06 -5.08 118.68 115.66 1sqi s LEU 173 Ca 0.22 0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 53.46 1sqi s LEU 173 Cb 0.19 -3.10 -0.10 0.00 0.03 0.00 0.00 46.19 43.21 1sqi s LEU 173 CO 0.55 0.12 0.95 -2.16 0.23 0.00 0.00 176.35 176.04 1sqi s PRO 174 N -2.59 4.52 0.25 1.29 0.04 -1.26 -5.00 135.00 132.26 1sqi s PRO 174 Ca 0.37 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1sqi s PRO 174 Cb -0.13 -2.69 -0.11 0.00 0.04 0.00 0.00 34.50 31.61 1sqi s PRO 174 CO 0.27 0.22 1.55 -1.12 0.04 0.00 0.00 177.00 177.96 1sqi s SER 175 N -1.71 6.50 0.06 6.66 0.01 -1.26 -4.88 113.70 119.08 1sqi s SER 175 Ca 0.52 2.80 0.23 0.00 1.31 0.00 0.00 55.95 60.81 1sqi s SER 175 Cb -0.17 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.37 1sqi s SER 175 CO 0.22 -0.84 0.90 0.00 0.41 0.00 0.00 173.24 173.93 1sqi n ASN 177 N -2.15 -5.67 -4.75 0.00 3.02 -1.26 -4.33 115.26 100.12 1sqi n ASN 177 Ca 0.00 -0.64 -0.40 0.00 -0.03 0.00 0.00 54.58 53.51 1sqi n ASN 177 Cb 0.48 -4.49 -0.06 0.00 -0.61 0.00 0.00 39.78 35.11 1sqi n ASN 177 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sqi s LEU 178 N -7.28 4.61 -0.20 3.41 1.43 -1.26 -4.43 118.68 114.96 1sqi s LEU 178 Ca 0.62 1.84 -0.10 0.00 -1.03 0.00 0.00 54.13 55.46 1sqi s LEU 178 Cb -0.29 -3.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 1sqi s LEU 178 CO 0.76 0.13 -0.25 -0.62 0.23 0.00 0.00 176.35 176.60 1sqi n GLU 179 N 1.78 0.41 -3.52 1.70 -0.58 0.70 -3.26 120.64 117.87 1sqi n GLU 179 Ca -0.02 0.18 -0.14 0.00 -0.42 0.00 0.00 57.16 56.76 1sqi n GLU 179 Cb 0.48 -1.20 -0.05 0.00 -0.57 0.00 0.00 31.44 30.10 1sqi n GLU 179 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1sqi s ILE 180 N -2.36 0.00 0.08 -3.67 2.07 -1.24 0.16 121.20 116.25 1sqi s ILE 180 Ca -0.27 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.66 1sqi s ILE 180 Cb 0.10 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.62 1sqi s ILE 180 CO 0.35 0.00 1.47 -0.63 -1.91 0.00 0.00 174.94 174.22 1sqi s ILE 181 N -1.76 3.26 -0.17 2.00 1.01 -1.26 -0.94 121.20 123.34 1sqi s ILE 181 Ca -0.05 0.82 -0.14 0.00 0.00 0.00 0.00 60.65 61.28 1sqi s ILE 181 Cb -0.00 -3.52 -0.22 0.00 0.01 0.00 0.00 42.46 38.72 1sqi s ILE 181 CO 0.02 0.03 0.26 -0.67 0.00 0.00 0.00 174.94 174.58 1sqi n ASP 182 N 4.66 2.00 -3.52 3.58 -0.08 0.73 -4.86 116.55 119.05 1sqi n ASP 182 Ca 0.13 0.30 -0.15 0.00 -1.51 0.00 0.00 54.79 53.56 1sqi n ASP 182 Cb 0.42 -0.90 -0.05 0.00 2.34 0.00 0.00 41.12 42.92 1sqi n ASP 182 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1sqi s HIS 183 N -2.47 -0.57 -0.13 -0.67 -3.43 -1.22 -4.40 115.29 102.41 1sqi s HIS 183 Ca -0.26 0.90 0.03 0.00 -0.80 0.00 0.00 55.06 54.92 1sqi s HIS 183 Cb 0.07 0.44 0.01 0.00 -1.43 0.00 0.00 32.58 31.67 1sqi s HIS 183 CO 0.67 -0.57 -0.21 0.42 -2.00 0.00 0.00 174.74 173.05 1sqi s ILE 184 N -1.52 1.95 -0.17 -5.38 1.01 -1.14 -0.94 121.20 115.02 1sqi s ILE 184 Ca -0.07 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1sqi s ILE 184 Cb -0.00 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1sqi s ILE 184 CO 0.05 0.53 0.13 -0.69 0.00 0.00 0.00 174.94 174.96 1sqi s VAL 185 N 0.77 5.44 -0.26 2.92 1.01 -0.29 -3.24 120.40 126.77 1sqi s VAL 185 Ca -0.09 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1sqi s VAL 185 Cb -0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1sqi s VAL 185 CO -0.00 0.51 0.04 -0.83 0.00 0.00 0.00 175.10 174.82 1sqi s GLY 186 N -0.19 1.73 0.10 4.51 0.00 -0.08 -0.34 107.32 113.05 1sqi s GLY 186 Ca 0.11 -1.25 -0.28 0.00 0.00 0.00 0.00 44.72 43.30 1sqi s GLY 186 CO 0.00 0.54 0.88 -1.31 0.00 0.00 0.00 173.10 173.21 1sqi s ASN 187 N 1.54 7.41 0.17 1.64 0.01 0.63 -0.32 114.94 126.01 1sqi s ASN 187 Ca 0.05 1.68 0.11 0.00 -0.71 0.00 0.00 52.86 53.99 1sqi s ASN 187 Cb -0.16 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1sqi s ASN 187 CO 0.01 0.00 -0.23 -1.10 -1.51 0.00 0.00 177.10 174.28 1sqi s GLN 188 N -0.22 1.57 1.09 -0.60 -1.52 0.39 -1.48 119.66 118.89 1sqi s GLN 188 Ca 0.43 -1.44 -0.12 0.00 -1.95 0.00 0.00 55.36 52.28 1sqi s GLN 188 Cb -0.23 -1.91 0.24 0.00 -0.22 0.00 0.00 33.01 30.90 1sqi s GLN 188 CO 0.27 0.42 1.05 -2.30 -0.25 0.00 0.00 175.29 174.49 1sqi n PRO 189 N 0.40 -1.76 -1.57 2.91 -0.02 -1.26 -4.22 135.00 129.48 1sqi n PRO 189 Ca -0.14 -0.47 -0.48 0.00 -2.02 0.00 0.00 63.50 60.40 1sqi n PRO 189 Cb 0.55 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1sqi n PRO 189 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sqi n ASP 190 N -4.69 1.10 -0.67 2.55 2.03 -1.26 -1.89 116.55 113.72 1sqi n ASP 190 Ca 0.06 1.15 -0.09 0.00 0.52 0.00 0.00 54.79 56.44 1sqi n ASP 190 Cb 0.53 -1.21 -0.04 0.00 -0.72 0.00 0.00 41.12 39.68 1sqi n ASP 190 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sqi n GLN 191 N 1.38 -1.02 0.00 -0.67 6.02 -1.26 -4.88 117.38 116.94 1sqi n GLN 191 Ca 0.14 0.75 0.03 0.00 -0.01 0.00 0.00 57.00 57.91 1sqi n GLN 191 Cb 0.27 -4.76 0.02 0.00 1.02 0.00 0.00 30.24 26.79 1sqi n GLN 191 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1sqi n GLU 192 N -1.92 0.57 0.12 -1.09 1.02 -0.79 -4.63 120.64 113.91 1sqi n GLU 192 Ca -0.09 -0.78 -0.13 0.00 -0.02 0.00 0.00 57.16 56.14 1sqi n GLU 192 Cb 0.39 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 1sqi n GLU 192 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1sqi h MET 193 N 1.14 -0.29 -0.20 3.49 4.05 -1.80 -1.69 114.93 119.63 1sqi h MET 193 Ca 0.00 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1sqi h MET 193 Cb 0.26 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.06 1sqi h MET 193 CO 0.00 -0.19 -0.24 0.93 0.23 0.00 0.00 176.91 177.63 1sqi h GLU 194 N -0.30 -0.26 0.09 0.39 5.08 -1.96 0.18 114.58 117.80 1sqi h GLU 194 Ca -0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1sqi h GLU 194 Cb 0.28 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1sqi h GLU 194 CO -0.02 -0.18 -0.25 0.77 -1.00 0.00 0.00 179.01 178.33 1sqi h SER 195 N -0.27 -0.73 -0.25 1.42 0.02 -1.82 0.23 113.55 112.16 1sqi h SER 195 Ca 0.12 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1sqi h SER 195 Cb 0.46 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1sqi h SER 195 CO -0.36 -0.34 0.16 0.00 -1.14 0.00 0.00 176.83 175.15 1sqi h ALA 196 N 0.33 0.31 -0.48 3.77 0.00 -0.93 -1.47 119.26 120.80 1sqi h ALA 196 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sqi h ALA 196 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sqi h ALA 196 CO -0.17 -0.21 0.07 0.66 0.00 0.00 0.00 179.25 179.61 1sqi h SER 197 N 0.32 0.76 -0.91 0.00 4.64 -0.60 -3.16 113.55 114.60 1sqi h SER 197 Ca 0.09 -0.26 0.14 0.00 -0.47 0.00 0.00 61.79 61.29 1sqi h SER 197 Cb -0.02 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 61.77 1sqi h SER 197 CO -0.02 0.83 0.52 -0.33 -0.87 0.00 0.00 176.83 176.97 1sqi h GLU 198 N 0.66 0.73 -0.85 4.77 4.39 -0.05 -1.55 114.58 122.69 1sqi h GLU 198 Ca 0.14 -0.04 0.22 0.00 0.34 0.00 0.00 59.36 60.02 1sqi h GLU 198 Cb 0.40 -0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 28.74 1sqi h GLU 198 CO 0.01 0.48 0.14 2.35 -1.16 0.00 0.00 179.01 180.83 1sqi h TRP 199 N 0.75 0.18 -0.46 4.33 7.01 -1.24 -1.07 115.95 125.45 1sqi h TRP 199 Ca 0.49 0.05 -0.14 0.00 2.11 0.00 0.00 58.89 61.40 1sqi h TRP 199 Cb 0.64 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1sqi h TRP 199 CO -0.05 -0.24 -0.26 1.88 -2.79 0.00 0.00 178.44 176.99 1sqi h TYR 200 N 0.16 1.14 -0.29 2.65 -1.99 -1.39 -0.52 116.97 116.72 1sqi h TYR 200 Ca 0.51 -0.29 -0.04 0.00 2.00 0.00 0.00 58.73 60.90 1sqi h TYR 200 Cb 0.99 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 1sqi h TYR 200 CO -0.34 1.12 0.01 -0.07 -0.00 0.00 0.00 178.16 178.88 1sqi h LEU 201 N 0.83 0.49 0.10 3.88 3.38 -1.07 -2.12 115.31 120.81 1sqi h LEU 201 Ca 0.10 -0.30 -0.20 0.00 0.09 0.00 0.00 57.88 57.57 1sqi h LEU 201 Cb 0.84 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1sqi h LEU 201 CO 0.07 0.67 -0.94 0.50 0.09 0.00 0.00 178.44 178.83 1sqi h LYS 202 N 0.30 0.22 0.11 1.13 3.64 -1.33 -2.62 116.57 118.01 1sqi h LYS 202 Ca 0.08 -0.38 -0.29 0.00 -1.27 0.00 0.00 60.65 58.79 1sqi h LYS 202 Cb 0.41 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1sqi h LYS 202 CO 0.01 1.18 -1.45 -0.91 -2.27 0.00 0.00 179.45 176.01 1sqi h ASN 203 N -0.47 0.35 -0.01 4.20 2.35 -1.23 -3.38 115.58 117.40 1sqi h ASN 203 Ca -0.19 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1sqi h ASN 203 Cb 1.58 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.83 1sqi h ASN 203 CO 0.08 1.38 -0.12 0.18 -1.65 0.00 0.00 177.43 177.30 1sqi n LEU 204 N -3.44 1.39 -3.21 1.61 4.77 -1.05 -3.69 117.00 113.38 1sqi n LEU 204 Ca -0.14 -0.85 -0.19 0.00 -0.03 0.00 0.00 56.01 54.80 1sqi n LEU 204 Cb 1.03 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.20 1sqi n LEU 204 CO 0.51 0.28 0.17 0.00 -1.33 0.00 0.00 177.39 177.01 1sqi n GLN 205 N 0.03 -6.56 -2.01 3.23 6.02 -0.98 -5.00 117.38 112.11 1sqi n GLN 205 Ca 0.04 0.74 -0.28 0.00 -0.01 0.00 0.00 57.00 57.50 1sqi n GLN 205 Cb 0.21 -5.50 0.10 0.00 1.02 0.00 0.00 30.24 26.07 1sqi n GLN 205 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1sqi s PHE 206 N -3.30 2.64 0.28 1.08 0.40 -0.83 -4.51 117.98 113.74 1sqi s PHE 206 Ca 0.29 0.55 0.05 0.00 -0.60 0.00 0.00 56.93 57.23 1sqi s PHE 206 Cb -0.13 -3.52 -0.06 0.00 0.51 0.00 0.00 43.02 39.82 1sqi s PHE 206 CO 0.65 -1.85 -0.02 -3.38 0.70 0.00 0.00 175.22 171.32 1sqi s HIS 207 N -3.54 1.89 0.12 0.36 -3.43 -0.61 -4.43 115.29 105.65 1sqi s HIS 207 Ca 0.64 -0.81 -0.31 0.00 -0.80 0.00 0.00 55.06 53.78 1sqi s HIS 207 Cb -0.09 -1.14 -0.08 0.00 -1.43 0.00 0.00 32.58 29.84 1sqi s HIS 207 CO 0.48 0.15 1.37 0.50 -2.00 0.00 0.00 174.74 175.25 1sqi s ARG 208 N -3.80 4.33 -0.21 -0.38 3.52 -1.26 -1.53 118.95 119.63 1sqi s ARG 208 Ca 0.31 2.05 -0.15 0.00 -0.13 0.00 0.00 55.73 57.82 1sqi s ARG 208 Cb 0.06 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1sqi s ARG 208 CO 0.12 -0.41 0.36 0.12 -0.81 0.00 0.00 175.30 174.68 1sqi s PHE 209 N 1.02 3.36 0.14 5.12 5.36 0.22 -4.90 117.98 128.29 1sqi s PHE 209 Ca 0.64 0.54 0.05 0.00 -0.96 0.00 0.00 56.93 57.19 1sqi s PHE 209 Cb -0.36 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 1sqi s PHE 209 CO 0.31 -0.00 0.09 -1.58 -1.46 0.00 0.00 175.22 172.58 1sqi s TRP 210 N 1.29 3.11 0.31 10.12 0.51 -1.26 -4.31 118.94 128.71 1sqi s TRP 210 Ca 0.17 -0.01 -0.09 0.00 -2.12 0.00 0.00 56.10 54.05 1sqi s TRP 210 Cb -0.15 -1.53 0.01 0.00 -0.81 0.00 0.00 33.47 31.00 1sqi s TRP 210 CO 0.07 0.52 0.51 -1.54 -0.51 0.00 0.00 176.95 176.00 1sqi s SER 211 N -2.83 0.35 0.00 2.95 1.04 -1.26 -5.01 113.70 108.94 1sqi s SER 211 Ca 0.30 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1sqi s SER 211 Cb -0.11 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1sqi s SER 211 CO 0.22 -1.28 0.00 0.52 0.98 0.00 0.00 173.24 173.68 1sqi n VAL 212 N -0.48 0.00 -1.77 5.02 0.31 -1.26 -5.01 118.33 115.13 1sqi n VAL 212 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1sqi n VAL 212 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1sqi n VAL 212 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1sqi n LEU 224 N 0.00 -4.25 -4.40 7.52 7.94 -1.26 -4.72 117.00 117.83 1sqi n LEU 224 Ca 0.00 2.78 -0.29 0.00 -1.11 0.00 0.00 56.01 57.39 1sqi n LEU 224 Cb 0.00 -2.92 -0.13 0.00 0.53 0.00 0.00 43.42 40.90 1sqi n LEU 224 CO 0.00 -0.28 -0.56 -0.13 -1.11 0.00 0.00 177.39 175.31 1sqi s ARG 225 N -2.24 1.55 -0.11 1.96 0.52 -0.42 -4.86 118.95 115.36 1sqi s ARG 225 Ca 0.00 -1.27 -0.21 0.00 -0.52 0.00 0.00 55.73 53.73 1sqi s ARG 225 Cb 0.00 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.57 1sqi s ARG 225 CO 0.00 0.47 0.53 -1.54 0.02 0.00 0.00 175.30 174.78 1sqi s SER 226 N -1.88 -0.50 -0.11 0.23 1.04 -1.26 -1.34 113.70 109.87 1sqi s SER 226 Ca 0.14 0.74 0.03 0.00 0.48 0.00 0.00 55.95 57.34 1sqi s SER 226 Cb -0.10 0.75 -0.00 0.00 0.10 0.00 0.00 66.02 66.77 1sqi s SER 226 CO 0.06 -0.38 -0.21 -0.63 0.98 0.00 0.00 173.24 173.06 1sqi s ILE 227 N -0.54 2.29 -0.15 -1.02 -1.09 -0.43 -4.95 121.20 115.31 1sqi s ILE 227 Ca -0.07 -0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 57.29 1sqi s ILE 227 Cb -0.03 -1.90 -0.05 0.00 -1.58 0.00 0.00 42.46 38.90 1sqi s ILE 227 CO 0.04 0.55 0.27 -0.69 -1.23 0.00 0.00 174.94 173.88 1sqi s VAL 228 N 0.40 5.31 0.04 2.92 1.01 -1.26 -0.08 120.40 128.73 1sqi s VAL 228 Ca -0.16 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.41 1sqi s VAL 228 Cb -0.17 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1sqi s VAL 228 CO 0.07 0.44 -0.23 -0.69 0.00 0.00 0.00 175.10 174.68 1sqi s VAL 229 N 0.16 2.39 -0.17 2.92 1.01 -0.91 0.70 120.40 126.49 1sqi s VAL 229 Ca 0.16 -1.28 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 1sqi s VAL 229 Cb -0.13 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.36 1sqi s VAL 229 CO 0.04 0.38 0.59 0.00 0.00 0.00 0.00 175.10 176.11 1sqi s ALA 230 N -0.83 -1.47 1.10 5.51 0.00 -0.58 -0.69 121.76 124.80 1sqi s ALA 230 Ca 0.13 1.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.47 1sqi s ALA 230 Cb -0.10 -0.71 0.25 0.00 0.00 0.00 0.00 23.12 22.55 1sqi s ALA 230 CO 0.03 -0.30 1.06 0.54 0.00 0.00 0.00 175.76 177.09 1sqi s ASN 231 N -0.10 1.45 0.17 0.00 4.22 -1.04 -1.57 114.94 118.07 1sqi s ASN 231 Ca -0.03 1.73 -0.20 0.00 -2.14 0.00 0.00 52.86 52.22 1sqi s ASN 231 Cb -0.03 -2.40 0.10 0.00 1.28 0.00 0.00 41.25 40.19 1sqi s ASN 231 CO 0.03 -3.94 1.62 0.22 -2.04 0.00 0.00 177.10 172.98 1sqi h TYR 232 N -2.45 -0.65 0.00 1.54 3.20 -1.93 0.20 116.97 116.88 1sqi h TYR 232 Ca -0.56 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1sqi h TYR 232 Cb 1.31 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.93 1sqi h TYR 232 CO 0.33 -0.32 0.00 0.93 -1.64 0.00 0.00 178.16 177.46 1sqi h GLU 233 N -0.17 0.00 -3.41 1.82 4.39 -1.92 -3.47 114.58 111.82 1sqi h GLU 233 Ca 0.20 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.61 1sqi h GLU 233 Cb 0.48 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1sqi h GLU 233 CO -0.52 0.00 -0.44 0.39 -1.16 0.00 0.00 179.01 177.28 1sqi n GLU 234 N -2.37 -3.70 0.09 2.33 1.02 0.06 -4.89 120.64 113.17 1sqi n GLU 234 Ca 0.02 0.64 0.11 0.00 -0.02 0.00 0.00 57.16 57.92 1sqi n GLU 234 Cb 0.27 -4.96 -0.01 0.00 -0.02 0.00 0.00 31.44 26.72 1sqi n GLU 234 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1sqi n SER 235 N -1.31 0.76 -4.34 1.62 3.41 -1.26 -4.80 113.62 107.68 1sqi n SER 235 Ca -0.07 0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 58.47 1sqi n SER 235 Cb 0.58 0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 65.00 1sqi n SER 235 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sqi s ILE 236 N -3.37 3.36 -0.14 -1.33 1.01 -1.26 -4.73 121.20 114.75 1sqi s ILE 236 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1sqi s ILE 236 Cb 0.10 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 40.09 1sqi s ILE 236 CO 0.80 0.45 -0.13 -0.54 0.00 0.00 0.00 174.94 175.52 1sqi s LYS 237 N 1.11 2.14 -0.35 2.79 1.02 -1.26 -2.51 119.74 122.68 1sqi s LYS 237 Ca 0.01 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.53 1sqi s LYS 237 Cb -0.15 -1.98 0.10 0.00 -0.52 0.00 0.00 37.83 35.29 1sqi s LYS 237 CO -0.01 -0.22 0.09 -1.64 -0.92 0.00 0.00 175.35 172.66 1sqi s MET 238 N 1.45 1.27 0.34 1.68 -1.94 0.14 -2.87 119.30 119.37 1sqi s MET 238 Ca 0.03 -1.69 -0.28 0.00 -1.71 0.00 0.00 55.69 52.04 1sqi s MET 238 Cb -0.13 -2.80 -0.10 0.00 2.01 0.00 0.00 34.83 33.82 1sqi s MET 238 CO -0.09 -0.98 1.23 -2.14 -0.01 0.00 0.00 175.02 173.03 1sqi s PRO 239 N 1.00 4.35 -0.17 2.03 0.02 -1.20 -2.14 135.00 138.89 1sqi s PRO 239 Ca 0.11 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.18 1sqi s PRO 239 Cb -0.19 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.34 1sqi s PRO 239 CO -0.12 -0.12 -0.20 0.42 -0.33 0.00 0.00 177.00 176.64 1sqi s ILE 240 N -1.21 2.03 0.31 2.83 -1.09 0.88 -0.91 121.20 124.04 1sqi s ILE 240 Ca 0.50 -0.92 0.08 0.00 -2.23 0.00 0.00 60.65 58.07 1sqi s ILE 240 Cb -0.36 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 1sqi s ILE 240 CO 0.47 0.54 0.17 0.20 -1.23 0.00 0.00 174.94 175.09 1sqi s ASN 241 N 1.26 5.00 -0.09 3.58 0.01 0.56 -1.31 114.94 123.95 1sqi s ASN 241 Ca 0.04 -0.57 -0.19 0.00 -0.71 0.00 0.00 52.86 51.43 1sqi s ASN 241 Cb -0.13 -0.95 0.04 0.00 0.41 0.00 0.00 41.25 40.62 1sqi s ASN 241 CO -0.12 -0.22 0.46 -0.70 -1.51 0.00 0.00 177.10 175.01 1sqi s GLU 242 N -3.86 0.71 0.91 -0.60 2.12 -0.45 -0.46 118.70 117.07 1sqi s GLU 242 Ca 0.37 0.25 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 1sqi s GLU 242 Cb -0.05 0.33 0.14 0.00 0.26 0.00 0.00 34.13 34.81 1sqi s GLU 242 CO 0.24 -0.17 1.10 -1.25 -0.54 0.00 0.00 175.26 174.64 1sqi s PRO 243 N -0.66 1.12 -0.02 4.30 0.04 -1.26 -1.30 135.00 137.22 1sqi s PRO 243 Ca -0.08 0.65 -0.09 0.00 0.04 0.00 0.00 61.00 61.53 1sqi s PRO 243 Cb -0.03 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1sqi s PRO 243 CO 0.04 -2.29 0.52 0.00 0.04 0.00 0.00 177.00 175.31 1sqi h ALA 244 N -1.58 -0.47 0.00 8.56 0.00 -1.96 -3.40 119.26 120.41 1sqi h ALA 244 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1sqi h ALA 244 Cb 1.30 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1sqi h ALA 244 CO 0.57 -0.45 0.00 0.45 0.00 0.00 0.00 179.25 179.82 1sqi n SER 250 N -3.81 0.00 -0.36 0.00 2.88 -1.26 -4.84 113.62 106.23 1sqi n SER 250 Ca -0.04 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.49 1sqi n SER 250 Cb 0.12 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.72 1sqi n SER 250 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1sqi h GLN 251 N 0.00 1.27 -0.66 -1.46 1.08 -2.00 -1.76 115.11 111.58 1sqi h GLN 251 Ca 0.00 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1sqi h GLN 251 Cb 0.00 -0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 27.12 1sqi h GLN 251 CO 0.00 0.84 0.19 0.82 -0.95 0.00 0.00 178.83 179.73 1sqi h ILE 252 N 1.31 1.25 -0.37 2.54 1.08 -1.97 -1.04 117.51 120.31 1sqi h ILE 252 Ca 0.37 -0.88 -0.13 0.00 -0.39 0.00 0.00 64.86 63.83 1sqi h ILE 252 Cb -0.12 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 1sqi h ILE 252 CO -0.09 0.34 -0.28 -0.61 -0.69 0.00 0.00 178.15 176.82 1sqi h GLN 253 N 0.98 0.84 -0.13 2.37 5.75 -1.81 -1.51 115.11 121.61 1sqi h GLN 253 Ca 0.21 -0.41 0.05 0.00 -0.15 0.00 0.00 58.65 58.35 1sqi h GLN 253 Cb 0.31 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.80 1sqi h GLN 253 CO -0.00 1.05 -0.22 1.49 -2.65 0.00 0.00 178.83 178.49 1sqi h GLU 254 N 0.64 -0.28 -0.39 1.69 4.81 -1.12 0.33 114.58 120.26 1sqi h GLU 254 Ca 0.07 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1sqi h GLU 254 Cb 0.86 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.22 1sqi h GLU 254 CO 0.07 -0.18 -0.49 -0.92 -0.73 0.00 0.00 179.01 176.76 1sqi h TYR 255 N -0.29 -1.45 -0.65 0.92 3.20 -1.13 -1.04 116.97 116.55 1sqi h TYR 255 Ca 0.10 0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.09 1sqi h TYR 255 Cb 0.43 0.69 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1sqi h TYR 255 CO -0.33 -0.47 0.37 0.28 -1.64 0.00 0.00 178.16 176.38 1sqi h VAL 256 N -0.37 1.01 -0.26 1.81 2.07 -0.64 0.46 116.25 120.32 1sqi h VAL 256 Ca 0.11 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1sqi h VAL 256 Cb 0.60 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1sqi h VAL 256 CO -0.58 0.13 -0.26 0.44 0.02 0.00 0.00 177.57 177.33 1sqi h ASP 257 N 0.70 -0.83 1.96 0.57 3.32 0.16 -0.83 116.42 121.47 1sqi h ASP 257 Ca 0.28 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1sqi h ASP 257 Cb 0.12 0.39 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1sqi h ASP 257 CO -0.15 -0.29 -0.04 1.88 -1.72 0.00 0.00 179.24 178.92 1sqi h TYR 258 N -0.25 0.00 0.00 4.55 -1.99 -0.71 -3.27 116.97 115.30 1sqi h TYR 258 Ca 0.14 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 1sqi h TYR 258 Cb 0.48 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 1sqi h TYR 258 CO -0.42 0.02 -0.98 -0.97 -0.00 0.00 0.00 178.16 175.81 1sqi h ASN 259 N 0.00 0.00 0.00 3.88 -1.24 0.13 -3.46 115.58 114.89 1sqi h ASN 259 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1sqi h ASN 259 Cb 1.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1sqi h ASN 259 CO 0.00 0.49 0.00 0.61 -1.29 0.00 0.00 177.43 177.25 1sqi n GLY 260 N 1.30 0.76 0.00 1.57 0.00 -0.34 -3.98 105.19 104.50 1sqi n GLY 260 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sqi n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqi n GLY 261 N -2.33 -0.40 3.76 -0.02 0.00 -1.09 -5.04 105.19 100.07 1sqi n GLY 261 Ca 0.00 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1sqi n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqi s ALA 262 N -1.00 2.46 0.00 4.61 0.00 -1.26 -4.58 121.76 121.99 1sqi s ALA 262 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1sqi s ALA 262 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1sqi s ALA 262 CO 0.00 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.91 1sqi n GLY 263 N 0.08 -1.29 3.65 0.00 0.00 -0.55 -4.37 105.19 102.71 1sqi n GLY 263 Ca 0.12 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1sqi n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqi s VAL 264 N -2.79 4.29 -0.14 1.61 1.01 -1.26 -0.27 120.40 122.86 1sqi s VAL 264 Ca 0.00 1.52 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 1sqi s VAL 264 Cb 0.00 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 32.00 1sqi s VAL 264 CO 0.00 -0.30 0.61 -0.61 0.00 0.00 0.00 175.10 174.80 1sqi h GLN 265 N 8.52 0.07 -3.04 2.72 4.15 -1.00 -3.41 115.11 123.12 1sqi h GLN 265 Ca -0.25 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 58.96 1sqi h GLN 265 Cb 1.09 0.05 -0.18 0.00 0.21 0.00 0.00 27.48 28.65 1sqi h GLN 265 CO 1.00 1.06 -0.17 -3.38 -1.93 0.00 0.00 178.83 175.41 1sqi s HIS 266 N -2.32 -0.22 -0.19 3.99 -3.43 -1.23 -1.73 115.29 110.15 1sqi s HIS 266 Ca -0.21 0.22 -0.02 0.00 -0.80 0.00 0.00 55.06 54.25 1sqi s HIS 266 Cb 0.01 0.17 -0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1sqi s HIS 266 CO 0.69 -0.51 -0.09 0.42 -2.00 0.00 0.00 174.74 173.25 1sqi s ILE 267 N -2.12 3.03 -0.19 -5.38 1.01 -1.16 -1.13 121.20 115.26 1sqi s ILE 267 Ca -0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1sqi s ILE 267 Cb -0.02 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1sqi s ILE 267 CO -0.00 0.47 0.11 0.00 0.00 0.00 0.00 174.94 175.52 1sqi s ALA 268 N 1.19 3.62 -0.16 9.38 0.00 -0.12 -0.93 121.76 134.74 1sqi s ALA 268 Ca 0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1sqi s ALA 268 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 1sqi s ALA 268 CO -0.03 0.20 -0.10 -0.51 0.00 0.00 0.00 175.76 175.32 1sqi s LEU 269 N 0.27 2.83 0.11 0.00 1.43 0.28 -0.19 118.68 123.42 1sqi s LEU 269 Ca 0.07 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.62 1sqi s LEU 269 Cb -0.11 -1.67 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 1sqi s LEU 269 CO -0.01 0.12 0.70 -0.60 0.23 0.00 0.00 176.35 176.79 1sqi s ARG 270 N 0.65 4.44 0.11 1.70 3.52 -0.12 -1.12 118.95 128.13 1sqi s ARG 270 Ca -0.05 1.00 0.07 0.00 -0.13 0.00 0.00 55.73 56.62 1sqi s ARG 270 Cb -0.15 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1sqi s ARG 270 CO 0.02 0.55 -0.18 -0.08 -0.81 0.00 0.00 175.30 174.80 1sqi s THR 271 N -0.95 1.56 -1.52 4.11 -1.32 -0.39 -0.22 115.64 116.91 1sqi s THR 271 Ca 0.34 -1.59 0.27 0.00 -1.21 0.00 0.00 61.69 59.50 1sqi s THR 271 Cb -0.21 -1.51 0.28 0.00 -1.51 0.00 0.00 72.50 69.55 1sqi s THR 271 CO 0.23 -0.19 1.67 -0.62 -2.21 0.00 0.00 174.62 173.50 1sqi n GLU 272 N 0.90 0.56 -3.31 7.08 -0.58 -1.26 -4.42 120.64 119.61 1sqi n GLU 272 Ca -0.18 -0.27 -0.10 0.00 -0.42 0.00 0.00 57.16 56.18 1sqi n GLU 272 Cb 0.55 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 1sqi n GLU 272 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1sqi s ASP 273 N -2.62 0.32 0.31 1.62 2.15 -1.26 -5.03 116.67 112.15 1sqi s ASP 273 Ca 0.23 -1.01 0.15 0.00 0.43 0.00 0.00 52.55 52.34 1sqi s ASP 273 Cb 0.19 1.05 0.41 0.00 -0.30 0.00 0.00 42.92 44.27 1sqi s ASP 273 CO 0.54 -0.27 1.61 -0.29 -0.17 0.00 0.00 175.17 176.59 1sqi h ILE 274 N 5.41 1.10 0.09 4.11 2.10 -1.95 -1.72 117.51 126.65 1sqi h ILE 274 Ca 0.01 -1.98 -0.00 0.00 1.08 0.00 0.00 64.86 63.97 1sqi h ILE 274 Cb 1.10 2.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.99 1sqi h ILE 274 CO 0.20 0.51 -0.04 0.40 -1.08 0.00 0.00 178.15 178.13 1sqi h ILE 275 N 0.00 0.93 -0.43 2.19 2.04 -1.98 -0.25 117.51 120.00 1sqi h ILE 275 Ca -0.01 -0.07 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 1sqi h ILE 275 Cb 1.11 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1sqi h ILE 275 CO 0.07 0.02 -0.25 0.74 0.00 0.00 0.00 178.15 178.73 1sqi h THR 276 N -0.15 1.27 0.00 -0.27 2.02 -1.93 -0.98 112.91 112.86 1sqi h THR 276 Ca -0.01 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 65.78 1sqi h THR 276 Cb 0.12 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1sqi h THR 276 CO 0.02 0.48 -0.14 0.74 0.37 0.00 0.00 175.52 176.99 1sqi h THR 277 N 0.77 0.65 -0.04 3.16 2.02 -1.29 -0.72 112.91 117.46 1sqi h THR 277 Ca 0.09 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.09 1sqi h THR 277 Cb 0.83 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1sqi h THR 277 CO 0.07 0.00 -0.75 0.40 0.37 0.00 0.00 175.52 175.61 1sqi h ILE 278 N -0.24 1.43 -0.41 3.11 1.08 -1.00 0.52 117.51 121.99 1sqi h ILE 278 Ca 0.05 -2.29 0.02 0.00 -0.39 0.00 0.00 64.86 62.25 1sqi h ILE 278 Cb 0.30 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.25 1sqi h ILE 278 CO -0.14 0.67 0.25 0.03 -0.69 0.00 0.00 178.15 178.27 1sqi h ARG 279 N 0.17 0.49 -0.06 2.37 3.08 -1.12 -1.47 114.38 117.85 1sqi h ARG 279 Ca -0.03 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1sqi h ARG 279 Cb 1.33 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1sqi h ARG 279 CO 0.12 0.32 -0.62 0.45 -1.07 0.00 0.00 179.97 179.17 1sqi h HIS 280 N 0.50 0.27 -0.39 3.04 3.86 -0.86 -1.84 115.15 119.73 1sqi h HIS 280 Ca 0.16 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 1sqi h HIS 280 Cb 0.00 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1sqi h HIS 280 CO -0.07 0.77 -0.21 -0.07 0.86 0.00 0.00 177.93 179.21 1sqi h LEU 281 N 0.15 0.86 -0.94 2.43 3.38 -0.81 -2.67 115.31 117.70 1sqi h LEU 281 Ca -0.01 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1sqi h LEU 281 Cb 1.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1sqi h LEU 281 CO 0.09 1.08 -0.06 0.03 0.09 0.00 0.00 178.44 179.67 1sqi h ARG 282 N 0.63 0.71 -0.06 1.13 3.08 -1.20 -2.31 114.38 116.37 1sqi h ARG 282 Ca 0.08 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1sqi h ARG 282 Cb 0.76 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1sqi h ARG 282 CO 0.06 0.76 -0.10 0.93 -1.07 0.00 0.00 179.97 180.55 1sqi h GLU 283 N 0.65 0.08 0.00 0.04 5.08 -1.27 -1.51 114.58 117.66 1sqi h GLU 283 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1sqi h GLU 283 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1sqi h GLU 283 CO 0.03 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 1sqi h ARG 284 N 0.08 0.00 0.00 2.33 3.08 -1.10 -3.48 114.38 115.29 1sqi h ARG 284 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1sqi h ARG 284 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1sqi h ARG 284 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1sqi n GLY 285 N 0.73 0.89 3.71 0.04 0.00 -0.57 -4.75 105.19 105.25 1sqi n GLY 285 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1sqi n GLY 285 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sqi n MET 286 N -0.94 1.73 -4.61 1.61 2.81 -0.91 -4.99 117.12 111.81 1sqi n MET 286 Ca 0.00 0.63 -0.31 0.00 -1.81 0.00 0.00 57.70 56.21 1sqi n MET 286 Cb 0.00 -2.46 -0.12 0.00 -0.71 0.00 0.00 33.22 29.93 1sqi n MET 286 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1sqi s GLU 287 N -2.58 2.05 0.52 0.03 2.02 -1.26 -4.49 118.70 115.00 1sqi s GLU 287 Ca 0.67 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1sqi s GLU 287 Cb -0.45 -2.19 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 1sqi s GLU 287 CO 0.53 0.53 0.03 -0.06 0.02 0.00 0.00 175.26 176.31 1sqi s PHE 288 N -0.95 1.78 0.57 1.61 0.40 -1.26 -1.47 117.98 118.66 1sqi s PHE 288 Ca 0.15 -0.98 -0.14 0.00 -0.60 0.00 0.00 56.93 55.36 1sqi s PHE 288 Cb -0.11 -1.61 -0.06 0.00 0.51 0.00 0.00 43.02 41.76 1sqi s PHE 288 CO 0.06 0.16 1.01 -0.51 0.70 0.00 0.00 175.22 176.64 1sqi s LEU 289 N -3.92 3.43 0.28 -0.37 1.43 -0.61 -4.61 118.68 114.31 1sqi s LEU 289 Ca 0.04 1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 1sqi s LEU 289 Cb 0.00 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 1sqi s LEU 289 CO 0.03 -0.79 1.03 0.00 0.23 0.00 0.00 176.35 176.84 1sqi s ALA 290 N -2.86 3.35 -0.14 4.21 0.00 -1.26 -4.99 121.76 120.07 1sqi s ALA 290 Ca 0.58 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1sqi s ALA 290 Cb -0.11 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1sqi s ALA 290 CO 0.42 -0.02 -0.05 0.08 0.00 0.00 0.00 175.76 176.20 1sqi s VAL 291 N -1.23 0.99 0.34 0.00 1.01 -1.26 -5.12 120.40 115.13 1sqi s VAL 291 Ca 0.45 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1sqi s VAL 291 Cb -0.28 -1.13 -0.13 0.00 0.00 0.00 0.00 36.38 34.84 1sqi s VAL 291 CO 0.36 0.19 1.06 -0.81 0.00 0.00 0.00 175.10 175.91 1sqi n PRO 292 N 4.93 1.51 0.26 2.72 -0.04 -1.26 -4.88 135.00 138.24 1sqi n PRO 292 Ca -0.11 0.53 0.15 0.00 -0.04 0.00 0.00 63.50 64.03 1sqi n PRO 292 Cb 0.49 -2.01 0.58 0.00 -0.04 0.00 0.00 33.50 32.52 1sqi n PRO 292 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sqi h SER 293 N 1.95 0.00 0.38 3.54 4.64 -2.00 -2.07 113.55 120.00 1sqi h SER 293 Ca -0.43 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 1sqi h SER 293 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1sqi h SER 293 CO 0.60 0.07 -0.26 0.77 -0.87 0.00 0.00 176.83 177.13 1sqi h SER 294 N 0.00 0.00 -0.56 4.97 4.64 -1.99 -2.54 113.55 118.06 1sqi h SER 294 Ca -0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1sqi h SER 294 Cb 0.62 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.63 1sqi h SER 294 CO 0.01 0.26 0.12 0.22 -0.87 0.00 0.00 176.83 176.57 1sqi h TYR 295 N 0.00 0.19 -0.04 4.77 3.20 -1.73 -0.37 116.97 122.99 1sqi h TYR 295 Ca -0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 1sqi h TYR 295 Cb 0.52 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1sqi h TYR 295 CO 0.00 -0.02 -0.67 1.88 -1.64 0.00 0.00 178.16 177.71 1sqi h TYR 296 N 0.26 0.24 -0.06 -3.82 -1.99 -1.62 0.50 116.97 110.48 1sqi h TYR 296 Ca 0.29 -0.10 0.04 0.00 2.00 0.00 0.00 58.73 60.96 1sqi h TYR 296 Cb 0.41 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.05 1sqi h TYR 296 CO -0.24 0.80 -0.27 -0.09 -0.00 0.00 0.00 178.16 178.36 1sqi h ARG 297 N 0.13 -0.36 -0.02 4.88 2.43 -1.03 -1.55 114.38 118.85 1sqi h ARG 297 Ca -0.01 0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.99 1sqi h ARG 297 Cb 1.20 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1sqi h ARG 297 CO 0.10 -0.24 -0.80 -0.07 -1.51 0.00 0.00 179.97 177.45 1sqi h LEU 298 N -0.37 0.30 -0.49 3.80 3.38 -0.94 -1.59 115.31 119.40 1sqi h LEU 298 Ca 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1sqi h LEU 298 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1sqi h LEU 298 CO -0.28 0.98 0.22 0.25 0.09 0.00 0.00 178.44 179.71 1sqi h LEU 299 N 0.15 0.65 0.01 1.67 5.85 -0.89 -1.00 115.31 121.75 1sqi h LEU 299 Ca -0.04 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1sqi h LEU 299 Cb 1.40 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1sqi h LEU 299 CO 0.13 0.61 -0.02 0.03 -0.34 0.00 0.00 178.44 178.85 1sqi h ARG 300 N 0.65 -0.04 -0.15 1.25 3.08 -1.11 -1.15 114.38 116.90 1sqi h ARG 300 Ca 0.17 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.27 1sqi h ARG 300 Cb 0.14 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1sqi h ARG 300 CO -0.02 -0.02 -0.22 1.49 -1.07 0.00 0.00 179.97 180.13 1sqi h GLU 301 N -0.04 -0.26 -0.49 0.04 4.81 -1.20 -2.89 114.58 114.55 1sqi h GLU 301 Ca 0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1sqi h GLU 301 Cb 0.04 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1sqi h GLU 301 CO -0.01 -0.17 0.28 -0.91 -0.73 0.00 0.00 179.01 177.47 1sqi h ASN 302 N -0.27 0.44 0.01 1.04 2.35 -1.04 -2.93 115.58 115.18 1sqi h ASN 302 Ca 0.11 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1sqi h ASN 302 Cb 0.43 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1sqi h ASN 302 CO -0.31 0.31 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.68 1sqi h LEU 303 N 0.56 0.04 -0.96 1.61 3.38 -1.01 -2.57 115.31 116.35 1sqi h LEU 303 Ca 0.20 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.28 1sqi h LEU 303 Cb 0.05 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.67 1sqi h LEU 303 CO -0.11 0.07 -0.52 0.29 0.09 0.00 0.00 178.44 178.27 1sqi n LYS 304 N -4.48 -0.37 -0.76 1.13 5.02 -1.11 -1.69 118.16 115.91 1sqi n LYS 304 Ca -0.02 1.46 -0.14 0.00 -2.02 0.00 0.00 58.31 57.59 1sqi n LYS 304 Cb 0.13 -2.15 0.12 0.00 -0.02 0.00 0.00 35.03 33.10 1sqi n LYS 304 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sqi n THR 305 N -5.26 2.34 -4.39 -0.18 -2.24 -0.97 -4.94 114.28 98.64 1sqi n THR 305 Ca 0.04 -1.18 -0.31 0.00 -2.27 0.00 0.00 64.05 60.34 1sqi n THR 305 Cb 0.29 -0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 1sqi n THR 305 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sqi s SER 306 N -0.44 4.30 0.23 3.42 1.04 -0.68 -5.04 113.70 116.54 1sqi s SER 306 Ca 0.36 -0.34 0.23 0.00 0.48 0.00 0.00 55.95 56.68 1sqi s SER 306 Cb 0.30 -0.84 0.16 0.00 0.10 0.00 0.00 66.02 65.73 1sqi s SER 306 CO 0.07 0.22 1.23 0.11 0.98 0.00 0.00 173.24 175.85 1sqi h LYS 307 N 4.07 0.00 -6.70 4.02 1.57 -1.90 -3.45 116.57 114.18 1sqi h LYS 307 Ca -0.48 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.80 1sqi h LYS 307 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1sqi h LYS 307 CO 0.51 0.00 0.06 -1.50 -0.57 0.00 0.00 179.45 177.96 1sqi s ILE 308 N -3.29 4.75 -0.08 1.86 1.10 -1.26 -4.98 121.20 119.30 1sqi s ILE 308 Ca 0.03 0.79 0.03 0.00 -0.51 0.00 0.00 60.65 60.99 1sqi s ILE 308 Cb 0.10 -3.64 0.00 0.00 0.15 0.00 0.00 42.46 39.07 1sqi s ILE 308 CO 0.75 -0.24 -0.18 -1.10 -2.11 0.00 0.00 174.94 172.06 1sqi s GLN 309 N -3.14 2.28 -0.05 3.50 -1.52 -1.26 -5.02 119.66 114.44 1sqi s GLN 309 Ca 0.52 -0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 52.99 1sqi s GLN 309 Cb -0.10 -1.81 -0.04 0.00 -0.22 0.00 0.00 33.01 30.84 1sqi s GLN 309 CO 0.21 0.13 1.30 0.08 -0.25 0.00 0.00 175.29 176.76 1sqi s VAL 310 N 0.42 4.03 0.07 1.09 1.01 -1.26 -4.93 120.40 120.83 1sqi s VAL 310 Ca -0.15 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.98 1sqi s VAL 310 Cb -0.16 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 1sqi s VAL 310 CO 0.06 -0.03 1.54 0.50 0.00 0.00 0.00 175.10 177.17 1sqi h LYS 311 N 7.80 0.24 -6.88 2.72 3.64 -2.03 -3.45 116.57 118.62 1sqi h LYS 311 Ca -0.34 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.45 1sqi h LYS 311 Cb 1.16 -0.03 0.07 0.00 -0.41 0.00 0.00 32.23 33.02 1sqi h LYS 311 CO 0.91 0.42 0.68 -1.21 -2.27 0.00 0.00 179.45 177.97 1sqi s GLU 312 N -5.19 4.30 0.04 1.90 8.01 -1.26 -4.88 118.70 121.62 1sqi s GLU 312 Ca -0.14 2.29 -0.32 0.00 0.01 0.00 0.00 54.97 56.81 1sqi s GLU 312 Cb 0.06 -3.06 -0.11 0.00 -4.31 0.00 0.00 34.13 26.71 1sqi s GLU 312 CO 0.71 -0.28 1.84 -1.71 0.01 0.00 0.00 175.26 175.83 1sqi n ASN 313 N 0.91 3.74 -0.20 -0.19 2.85 -1.26 -4.88 115.26 116.23 1sqi n ASN 313 Ca 0.01 0.98 -0.09 0.00 -0.11 0.00 0.00 54.58 55.36 1sqi n ASN 313 Cb 0.41 -1.47 0.02 0.00 1.24 0.00 0.00 39.78 39.98 1sqi n ASN 313 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 1sqi h MET 314 N 8.82 1.01 -0.82 1.20 1.85 -1.91 -1.86 114.93 123.22 1sqi h MET 314 Ca -0.48 -0.32 0.01 0.00 -0.61 0.00 0.00 59.70 58.30 1sqi h MET 314 Cb 1.25 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 33.14 1sqi h MET 314 CO 0.94 1.00 0.54 -0.44 -0.40 0.00 0.00 176.91 178.55 1sqi h ASP 315 N 0.90 0.94 -0.01 1.39 5.19 -2.00 -0.79 116.42 122.04 1sqi h ASP 315 Ca 0.16 -0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 56.36 1sqi h ASP 315 Cb 0.54 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1sqi h ASP 315 CO 0.03 0.68 -0.65 0.58 -3.12 0.00 0.00 179.24 176.76 1sqi h VAL 316 N 1.11 1.32 -0.19 -1.35 2.07 -1.90 -2.09 116.25 115.21 1sqi h VAL 316 Ca 0.30 -1.91 0.03 0.00 0.82 0.00 0.00 66.70 65.94 1sqi h VAL 316 Cb -0.13 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1sqi h VAL 316 CO -0.07 0.60 0.01 -0.07 0.02 0.00 0.00 177.57 178.07 1sqi h LEU 317 N 0.46 -0.04 -0.40 2.57 3.38 -0.72 -1.03 115.31 119.53 1sqi h LEU 317 Ca -0.02 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1sqi h LEU 317 Cb 1.23 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1sqi h LEU 317 CO 0.13 0.00 0.14 -0.08 0.09 0.00 0.00 178.44 178.72 1sqi h GLU 318 N 0.08 0.29 -0.74 1.13 4.81 -1.17 -0.34 114.58 118.65 1sqi h GLU 318 Ca 0.09 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.42 1sqi h GLU 318 Cb 0.10 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.33 1sqi h GLU 318 CO -0.14 0.19 0.33 1.49 -0.73 0.00 0.00 179.01 180.16 1sqi h GLU 319 N 0.30 0.52 -0.00 1.92 4.81 -1.02 -2.51 114.58 118.59 1sqi h GLU 319 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1sqi h GLU 319 Cb 0.17 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1sqi h GLU 319 CO -0.19 0.34 -0.15 1.28 -0.73 0.00 0.00 179.01 179.57 1sqi n LEU 320 N -4.93 0.19 -2.03 1.64 4.77 -0.42 -4.94 117.00 111.27 1sqi n LEU 320 Ca 0.13 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 1sqi n LEU 320 Cb 0.35 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1sqi n LEU 320 CO 0.22 0.04 0.04 0.29 -1.33 0.00 0.00 177.39 176.65 1sqi n LYS 321 N -1.43 -3.47 -3.15 3.23 4.76 -0.19 -5.01 118.16 112.89 1sqi n LYS 321 Ca 0.08 0.54 -0.38 0.00 -2.87 0.00 0.00 58.31 55.67 1sqi n LYS 321 Cb 0.33 -4.62 -0.06 0.00 -1.84 0.00 0.00 35.03 28.83 1sqi n LYS 321 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1sqi s ILE 322 N -3.00 4.59 0.13 -0.18 1.01 -0.94 -4.89 121.20 117.93 1sqi s ILE 322 Ca 0.23 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.27 1sqi s ILE 322 Cb -0.10 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1sqi s ILE 322 CO 0.28 0.49 0.27 -0.76 0.00 0.00 0.00 174.94 175.23 1sqi s LEU 323 N -1.27 4.34 -0.05 2.97 1.43 0.71 -4.72 118.68 122.10 1sqi s LEU 323 Ca 0.33 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 1sqi s LEU 323 Cb -0.20 -2.95 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 1sqi s LEU 323 CO 0.22 0.07 -0.17 -0.69 0.23 0.00 0.00 176.35 176.01 1sqi s VAL 324 N -1.69 1.45 0.02 -1.59 1.01 -1.26 -1.15 120.40 117.19 1sqi s VAL 324 Ca 0.35 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1sqi s VAL 324 Cb -0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1sqi s VAL 324 CO 0.28 0.42 -0.10 -0.62 0.00 0.00 0.00 175.10 175.08 1sqi s ASP 325 N 0.12 1.20 -0.19 3.32 3.68 -0.67 -4.80 116.67 119.33 1sqi s ASP 325 Ca -0.06 -0.32 -0.06 0.00 2.13 0.00 0.00 52.55 54.24 1sqi s ASP 325 Cb -0.12 -0.08 0.09 0.00 -1.45 0.00 0.00 42.92 41.35 1sqi s ASP 325 CO 0.03 0.03 0.38 -0.72 0.13 0.00 0.00 175.17 175.02 1sqi s TYR 326 N -0.62 -0.72 0.41 -5.34 -0.85 -1.26 -0.15 117.35 108.82 1sqi s TYR 326 Ca 0.00 1.37 -0.12 0.00 -0.52 0.00 0.00 57.07 57.81 1sqi s TYR 326 Cb -0.06 0.22 -0.07 0.00 0.38 0.00 0.00 41.96 42.43 1sqi s TYR 326 CO 0.00 -0.47 0.80 0.16 -1.52 0.00 0.00 175.55 174.52 1sqi s ASP 327 N 2.57 6.57 -1.01 -0.18 1.47 -1.17 -4.99 116.67 119.92 1sqi s ASP 327 Ca -0.00 1.21 -0.02 0.00 1.18 0.00 0.00 52.55 54.92 1sqi s ASP 327 Cb -0.12 -2.35 0.31 0.00 -0.34 0.00 0.00 42.92 40.41 1sqi s ASP 327 CO -0.12 -0.40 1.52 -0.62 0.68 0.00 0.00 175.17 176.23 1sqi n GLU 328 N -1.22 4.60 0.00 2.11 1.02 -1.26 -2.74 120.64 123.15 1sqi n GLU 328 Ca 0.03 -4.62 0.00 0.00 -0.02 0.00 0.00 57.16 52.56 1sqi n GLU 328 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1sqi n GLU 328 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sqi n LYS 329 N 0.79 2.51 -2.06 3.49 5.02 -1.26 -4.74 118.16 121.90 1sqi n LYS 329 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1sqi n LYS 329 Cb 0.32 -0.21 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 1sqi n LYS 329 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sqi n GLY 330 N 0.00 0.42 3.52 0.72 0.00 -1.11 -4.87 105.19 103.86 1sqi n GLY 330 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1sqi n GLY 330 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sqi s TYR 331 N -2.18 -0.38 0.16 1.61 -0.85 1.00 -3.05 117.35 113.66 1sqi s TYR 331 Ca 0.01 0.09 0.08 0.00 -0.52 0.00 0.00 57.07 56.73 1sqi s TYR 331 Cb -0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1sqi s TYR 331 CO -0.00 -0.93 -0.17 -0.48 -1.52 0.00 0.00 175.55 172.45 1sqi s LEU 332 N -2.81 2.44 0.07 -3.49 0.05 0.79 0.67 118.68 116.40 1sqi s LEU 332 Ca 0.04 -0.87 0.09 0.00 0.05 0.00 0.00 54.13 53.45 1sqi s LEU 332 Cb -0.02 -0.75 -0.03 0.00 -2.05 0.00 0.00 46.19 43.34 1sqi s LEU 332 CO -0.07 -0.07 -0.24 -0.76 -0.55 0.00 0.00 176.35 174.66 1sqi s LEU 333 N -2.69 2.37 -0.18 1.48 1.43 0.99 -1.66 118.68 120.42 1sqi s LEU 333 Ca 0.15 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1sqi s LEU 333 Cb -0.05 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.86 1sqi s LEU 333 CO 0.06 0.23 0.46 -1.58 0.23 0.00 0.00 176.35 175.75 1sqi s GLN 334 N -1.56 0.52 -0.14 1.70 0.74 -0.30 -0.49 119.66 120.13 1sqi s GLN 334 Ca 0.14 0.70 -0.26 0.00 0.05 0.00 0.00 55.36 55.99 1sqi s GLN 334 Cb -0.10 0.20 0.06 0.00 1.10 0.00 0.00 33.01 34.27 1sqi s GLN 334 CO 0.05 -0.09 0.64 -1.50 -0.55 0.00 0.00 175.29 173.84 1sqi s ILE 335 N 0.55 0.00 -0.10 -2.34 2.07 -0.07 -0.21 121.20 121.11 1sqi s ILE 335 Ca -0.02 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.19 1sqi s ILE 335 Cb -0.04 -0.93 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 1sqi s ILE 335 CO -0.03 -0.02 -0.15 -0.36 -1.91 0.00 0.00 174.94 172.47 1sqi s PHE 336 N -0.49 2.74 0.78 3.50 0.40 -1.26 -0.41 117.98 123.24 1sqi s PHE 336 Ca -0.06 -0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1sqi s PHE 336 Cb -0.03 -1.76 0.06 0.00 0.51 0.00 0.00 43.02 41.81 1sqi s PHE 336 CO 0.05 -0.10 1.10 0.95 0.70 0.00 0.00 175.22 177.92 1sqi s THR 337 N -0.01 3.19 1.02 0.64 -4.23 -0.42 -1.57 115.64 114.26 1sqi s THR 337 Ca -0.04 0.40 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 1sqi s THR 337 Cb -0.14 -2.84 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1sqi s THR 337 CO 0.04 -0.49 0.94 0.29 -0.54 0.00 0.00 174.62 174.86 1sqi n LYS 338 N -3.49 -1.16 -1.41 3.99 4.01 -0.54 -4.52 118.16 115.05 1sqi n LYS 338 Ca 0.09 -0.29 -0.37 0.00 -0.51 0.00 0.00 58.31 57.24 1sqi n LYS 338 Cb 0.53 -2.20 0.06 0.00 -0.51 0.00 0.00 35.03 32.90 1sqi n LYS 338 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1sqi n PRO 339 N -4.03 0.50 0.00 1.97 -0.02 -1.26 -4.54 135.00 127.62 1sqi n PRO 339 Ca 0.08 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.91 1sqi n PRO 339 Cb 0.53 -1.88 0.60 0.00 -0.02 0.00 0.00 33.50 32.74 1sqi n PRO 339 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1sqi n MET 340 N -0.64 1.25 -3.96 -0.52 2.81 -0.69 -4.91 117.12 110.46 1sqi n MET 340 Ca 0.12 -0.58 -0.10 0.00 -1.81 0.00 0.00 57.70 55.33 1sqi n MET 340 Cb 0.49 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.48 1sqi n MET 340 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1sqi s GLN 341 N -2.15 1.80 0.08 0.03 0.00 -1.26 -5.08 119.66 113.08 1sqi s GLN 341 Ca 0.36 -1.36 -0.06 0.00 -0.00 0.00 0.00 55.36 54.31 1sqi s GLN 341 Cb 0.21 0.52 -0.24 0.00 0.00 0.00 0.00 33.01 33.49 1sqi s GLN 341 CO 0.39 -0.78 1.17 -0.44 0.00 0.00 0.00 175.29 175.63 1sqi h ASP 342 N 2.13 0.52 -3.99 12.60 3.32 -1.98 -3.43 116.42 125.58 1sqi h ASP 342 Ca -0.27 -0.51 -0.55 0.00 0.02 0.00 0.00 57.03 55.72 1sqi h ASP 342 Cb 1.25 -0.17 0.13 0.00 0.22 0.00 0.00 39.33 40.76 1sqi h ASP 342 CO 0.35 1.37 0.66 0.54 -1.72 0.00 0.00 179.24 180.44 1sqi n ARG 343 N -3.62 2.01 -1.97 3.56 1.74 -1.26 -4.89 116.66 112.23 1sqi n ARG 343 Ca -0.09 0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 57.29 1sqi n ARG 343 Cb 0.98 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 1sqi n ARG 343 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1sqi n PRO 344 N -0.56 3.26 0.00 5.56 -0.04 -1.26 -4.61 135.00 137.36 1sqi n PRO 344 Ca 0.07 -2.99 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 1sqi n PRO 344 Cb 0.43 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 1sqi n PRO 344 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sqi n THR 345 N 4.19 0.00 -2.78 0.52 -2.24 -1.26 -4.27 114.28 108.44 1sqi n THR 345 Ca 0.48 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.86 1sqi n THR 345 Cb 0.37 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1sqi n THR 345 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1sqi s LEU 346 N 0.00 4.63 0.28 3.22 2.96 -1.26 -4.81 118.68 123.70 1sqi s LEU 346 Ca 0.00 1.89 -0.01 0.00 -0.22 0.00 0.00 54.13 55.80 1sqi s LEU 346 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1sqi s LEU 346 CO 0.00 0.15 0.31 0.72 -1.32 0.00 0.00 176.35 176.21 1sqi s PHE 347 N -1.09 1.20 0.16 5.38 -0.12 -0.71 -1.70 117.98 121.11 1sqi s PHE 347 Ca 0.41 -1.35 0.11 0.00 -0.05 0.00 0.00 56.93 56.04 1sqi s PHE 347 Cb -0.25 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.71 1sqi s PHE 347 CO 0.31 -0.88 -0.23 -0.51 -0.05 0.00 0.00 175.22 173.85 1sqi s LEU 348 N -3.22 2.46 -0.06 -1.99 1.43 -1.26 -2.97 118.68 113.06 1sqi s LEU 348 Ca 0.35 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1sqi s LEU 348 Cb 0.03 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1sqi s LEU 348 CO 0.18 0.15 -0.25 -0.70 0.23 0.00 0.00 176.35 175.96 1sqi s GLU 349 N -2.42 2.53 -0.18 1.70 2.12 -0.11 -1.30 118.70 121.03 1sqi s GLU 349 Ca 0.18 -0.89 -0.07 0.00 0.36 0.00 0.00 54.97 54.55 1sqi s GLU 349 Cb -0.09 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 1sqi s GLU 349 CO 0.09 0.37 0.05 0.08 -0.54 0.00 0.00 175.26 175.31 1sqi s VAL 350 N -0.15 4.62 0.02 3.70 1.01 0.46 1.00 120.40 131.05 1sqi s VAL 350 Ca -0.04 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1sqi s VAL 350 Cb -0.14 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1sqi s VAL 350 CO 0.04 0.45 -0.07 -0.51 0.00 0.00 0.00 175.10 175.01 1sqi s ILE 351 N 0.49 0.54 -0.05 2.22 2.07 -0.27 -0.89 121.20 125.30 1sqi s ILE 351 Ca 0.02 -0.62 0.03 0.00 -1.41 0.00 0.00 60.65 58.67 1sqi s ILE 351 Cb -0.13 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 41.95 1sqi s ILE 351 CO 0.01 -0.08 -0.12 -1.58 -1.91 0.00 0.00 174.94 171.26 1sqi s GLN 352 N -0.76 1.57 -0.16 3.50 0.74 0.35 -1.26 119.66 123.64 1sqi s GLN 352 Ca -0.02 -0.43 -0.05 0.00 0.05 0.00 0.00 55.36 54.91 1sqi s GLN 352 Cb -0.06 -1.34 -0.03 0.00 1.10 0.00 0.00 33.01 32.69 1sqi s GLN 352 CO 0.00 0.08 -0.01 1.03 -0.55 0.00 0.00 175.29 175.84 1sqi s ARG 353 N 0.47 3.75 -0.58 1.67 0.52 -1.26 -0.01 118.95 123.51 1sqi s ARG 353 Ca -0.11 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1sqi s ARG 353 Cb -0.14 -3.00 0.14 0.00 0.52 0.00 0.00 34.95 32.48 1sqi s ARG 353 CO 0.03 0.26 0.34 -1.01 0.02 0.00 0.00 175.30 174.94 1sqi s HIS 354 N 0.33 3.31 -1.21 -0.53 3.76 0.21 -4.84 115.29 116.33 1sqi s HIS 354 Ca -0.02 -3.18 -0.06 0.00 -0.15 0.00 0.00 55.06 51.65 1sqi s HIS 354 Cb -0.14 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 1sqi s HIS 354 CO 0.02 -0.70 0.79 -1.71 -0.85 0.00 0.00 174.74 172.30 1sqi n ASN 355 N 2.83 -3.24 -3.65 1.40 2.85 -1.26 -0.00 115.26 114.19 1sqi n ASN 355 Ca 0.09 -0.82 -0.12 0.00 -0.11 0.00 0.00 54.58 53.62 1sqi n ASN 355 Cb 0.33 -4.27 -0.07 0.00 1.24 0.00 0.00 39.78 37.01 1sqi n ASN 355 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1sqi s HIS 356 N -3.54 -0.81 -0.18 1.20 2.46 -1.26 -3.57 115.29 109.60 1sqi s HIS 356 Ca 0.19 1.86 0.02 0.00 0.47 0.00 0.00 55.06 57.60 1sqi s HIS 356 Cb -0.05 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.75 1sqi s HIS 356 CO 0.80 -0.39 0.38 1.04 -2.47 0.00 0.00 174.74 174.09 1sqi n GLN 357 N 3.15 1.91 -0.84 2.88 1.13 -1.26 -4.89 117.38 119.46 1sqi n GLN 357 Ca -0.16 -0.39 -0.19 0.00 -1.94 0.00 0.00 57.00 54.33 1sqi n GLN 357 Cb 0.56 -0.87 0.15 0.00 0.11 0.00 0.00 30.24 30.19 1sqi n GLN 357 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sqi n GLY 358 N 0.45 -2.22 0.04 1.08 0.00 -1.26 -4.87 105.19 98.41 1sqi n GLY 358 Ca 0.01 -1.55 0.01 0.00 0.00 0.00 0.00 46.02 44.48 1sqi n GLY 358 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqi n PHE 359 N -3.71 0.00 0.00 1.61 3.01 -1.26 -4.99 117.46 112.12 1sqi n PHE 359 Ca 0.10 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1sqi n PHE 359 Cb 0.37 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1sqi n PHE 359 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqi n GLY 360 N -0.28 1.21 0.31 1.37 0.00 -1.26 -5.02 105.19 101.53 1sqi n GLY 360 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1sqi n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqi h ALA 361 N 0.00 0.61 -0.00 4.61 0.00 -2.00 0.32 119.26 122.80 1sqi h ALA 361 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1sqi h ALA 361 Cb 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1sqi h ALA 361 CO 0.00 -0.41 0.00 0.78 0.00 0.00 0.00 179.25 179.62 1sqi h GLY 362 N 0.01 0.00 2.00 0.00 0.00 -1.95 -3.01 103.07 100.11 1sqi h GLY 362 Ca 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.68 1sqi h GLY 362 CO -0.86 0.00 -0.34 3.43 0.00 0.00 0.00 176.54 178.76 1sqi h ASN 363 N 0.00 0.00 -0.48 0.19 2.35 -0.67 -2.03 115.58 114.94 1sqi h ASN 363 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1sqi h ASN 363 Cb 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 1sqi h ASN 363 CO -0.00 0.34 -0.53 -0.26 -1.65 0.00 0.00 177.43 175.33 1sqi h PHE 364 N 0.00 -1.65 0.00 1.19 -1.00 -1.62 -2.28 116.94 111.58 1sqi h PHE 364 Ca -0.00 0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 1sqi h PHE 364 Cb 0.79 0.78 -0.01 0.00 3.61 0.00 0.00 35.95 41.13 1sqi h PHE 364 CO 0.00 -0.45 -0.17 -0.91 -1.61 0.00 0.00 178.31 175.18 1sqi h ASN 365 N -0.31 0.00 -0.01 2.17 2.35 -1.75 -3.54 115.58 114.49 1sqi h ASN 365 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1sqi h ASN 365 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1sqi h ASN 365 CO -0.62 0.17 0.00 -1.20 -1.65 0.00 0.00 177.43 174.13