#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukl n GLU 2 N 0.00 0.00 0.00 0.03 1.02 -1.26 -5.05 120.64 115.38 1ukl n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ukl n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ukl n GLU 2 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ukl n LEU 3 N 0.00 1.47 -0.27 -4.62 4.32 -1.26 -4.20 117.00 112.44 1ukl n LEU 3 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.02 1ukl n LEU 3 Cb 0.00 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 41.90 1ukl n LEU 3 CO 0.00 0.23 0.58 -0.38 -1.22 0.00 0.00 177.39 176.60 1ukl n ILE 4 N -2.71 0.19 0.00 -0.08 5.41 -1.26 -3.34 119.36 117.57 1ukl n ILE 4 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1ukl n ILE 4 Cb 0.48 0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 1ukl n ILE 4 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1ukl n THR 5 N -0.09 0.00 -0.01 1.39 -2.24 -1.26 -4.63 114.28 107.44 1ukl n THR 5 Ca 0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1ukl n THR 5 Cb 0.13 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1ukl n THR 5 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1ukl h ILE 6 N 0.00 1.31 0.00 2.28 2.04 -1.73 -2.27 117.51 119.15 1ukl h ILE 6 Ca 0.00 -1.87 -0.02 0.00 1.00 0.00 0.00 64.86 63.97 1ukl h ILE 6 Cb 0.90 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1ukl h ILE 6 CO 0.00 0.59 -0.09 -0.07 0.00 0.00 0.00 178.15 178.58 1ukl h LEU 7 N 0.49 0.00 -1.02 1.44 3.38 -1.86 -1.46 115.31 116.28 1ukl h LEU 7 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ukl h LEU 7 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ukl h LEU 7 CO 0.12 0.09 -0.31 -0.62 0.09 0.00 0.00 178.44 177.81 1ukl n GLU 8 N -3.32 1.34 -0.52 1.13 1.02 -1.12 -4.36 120.64 114.82 1ukl n GLU 8 Ca -0.01 -1.02 -0.01 0.00 -0.02 0.00 0.00 57.16 56.10 1ukl n GLU 8 Cb 0.29 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 1ukl n GLU 8 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ukl n LYS 9 N 0.06 1.03 0.00 3.49 4.76 -0.55 -2.56 118.16 124.39 1ukl n LYS 9 Ca 0.12 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1ukl n LYS 9 Cb 0.45 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 1ukl n LYS 9 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ukl n THR 10 N 1.59 0.00 -2.56 -0.18 -2.24 -1.26 -4.27 114.28 105.36 1ukl n THR 10 Ca 0.03 -0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1ukl n THR 10 Cb 0.51 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1ukl n THR 10 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ukl n VAL 11 N -1.25 3.90 -3.91 2.28 0.31 -1.06 -4.98 118.33 113.63 1ukl n VAL 11 Ca 0.00 -5.31 -0.11 0.00 -0.01 0.00 0.00 64.34 58.91 1ukl n VAL 11 Cb 0.00 -1.38 -0.11 0.00 -0.91 0.00 0.00 33.84 31.44 1ukl n VAL 11 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ukl s SER 12 N -2.41 0.08 -0.89 4.52 0.01 -1.26 -5.09 113.70 108.66 1ukl s SER 12 Ca 0.47 -0.24 -0.25 0.00 1.31 0.00 0.00 55.95 57.23 1ukl s SER 12 Cb 0.31 0.16 -0.11 0.00 0.21 0.00 0.00 66.02 66.59 1ukl s SER 12 CO -0.20 -0.27 2.18 -2.84 0.41 0.00 0.00 173.24 172.51 1ukl s PRO 13 N -1.12 1.94 0.00 12.44 0.02 -1.26 -4.74 135.00 142.28 1ukl s PRO 13 Ca -0.12 -0.01 0.00 0.00 0.02 0.00 0.00 61.00 60.89 1ukl s PRO 13 Cb -0.07 -4.94 0.00 0.00 0.02 0.00 0.00 34.50 29.51 1ukl s PRO 13 CO 0.00 -4.18 0.00 -3.47 -0.33 0.00 0.00 177.00 169.02 1ukl n ASP 14 N 16.90 0.00 0.09 2.53 -0.08 -1.26 -5.02 116.55 129.71 1ukl n ASP 14 Ca 0.44 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.60 1ukl n ASP 14 Cb 0.45 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.78 1ukl n ASP 14 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1ukl h ARG 15 N 0.00 0.16 0.00 -0.67 1.12 -2.02 -3.11 114.38 109.87 1ukl h ARG 15 Ca 0.00 -0.28 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 1ukl h ARG 15 Cb 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1ukl h ARG 15 CO 0.00 1.13 -0.12 -0.11 -3.11 0.00 0.00 179.97 177.76 1ukl n LEU 16 N -3.47 0.64 -0.10 3.80 7.94 -1.26 -3.07 117.00 121.48 1ukl n LEU 16 Ca -0.05 0.49 0.12 0.00 -1.11 0.00 0.00 56.01 55.45 1ukl n LEU 16 Cb 0.98 -0.33 0.14 0.00 0.53 0.00 0.00 43.42 44.75 1ukl n LEU 16 CO 0.51 -0.12 0.33 1.21 -1.11 0.00 0.00 177.39 178.22 1ukl n GLU 17 N -2.08 0.30 0.26 1.96 2.13 -1.22 -4.06 120.64 117.93 1ukl n GLU 17 Ca 0.05 -0.21 0.10 0.00 0.66 0.00 0.00 57.16 57.77 1ukl n GLU 17 Cb 0.41 -1.50 0.69 0.00 0.27 0.00 0.00 31.44 31.32 1ukl n GLU 17 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1ukl h LEU 18 N 0.51 0.00 -2.16 4.31 3.38 -1.47 -0.93 115.31 118.95 1ukl h LEU 18 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ukl h LEU 18 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ukl h LEU 18 CO 0.00 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.00 1ukl n GLU 19 N -4.02 2.40 0.17 1.13 -0.58 -1.26 -4.40 120.64 114.09 1ukl n GLU 19 Ca -0.02 -2.13 0.04 0.00 -0.42 0.00 0.00 57.16 54.63 1ukl n GLU 19 Cb 0.18 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.79 1ukl n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ukl h ALA 20 N 4.40 1.33 0.00 0.62 0.00 -1.37 -1.61 119.26 122.63 1ukl h ALA 20 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ukl h ALA 20 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ukl h ALA 20 CO 0.00 -0.33 -1.29 0.00 0.00 0.00 0.00 179.25 177.63 1ukl n ALA 21 N -1.46 2.52 0.14 0.00 0.00 -1.26 -4.31 120.51 116.14 1ukl n ALA 21 Ca -0.01 -0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.28 1ukl n ALA 21 Cb 0.49 0.42 0.28 0.00 0.00 0.00 0.00 19.45 20.64 1ukl n ALA 21 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ukl n GLN 22 N -3.13 0.07 -0.06 0.00 -0.06 -0.65 -0.34 117.38 113.21 1ukl n GLN 22 Ca -0.10 0.52 -0.07 0.00 -2.00 0.00 0.00 57.00 55.35 1ukl n GLN 22 Cb 0.58 -2.05 -0.02 0.00 -4.06 0.00 0.00 30.24 24.69 1ukl n GLN 22 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1ukl n LYS 23 N -1.91 0.41 0.14 3.69 4.76 -0.93 -3.98 118.16 120.35 1ukl n LYS 23 Ca -0.01 0.16 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 1ukl n LYS 23 Cb 0.33 -1.22 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 1ukl n LYS 23 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1ukl h PHE 24 N -0.78 -1.03 -0.07 2.13 3.04 -1.64 1.23 116.94 119.82 1ukl h PHE 24 Ca 0.00 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.01 1ukl h PHE 24 Cb 0.78 0.43 -0.05 0.00 2.56 0.00 0.00 35.95 39.67 1ukl h PHE 24 CO -0.34 -0.49 -0.24 -0.07 -2.02 0.00 0.00 178.31 175.16 1ukl h LEU 25 N -0.64 -0.72 0.18 0.59 3.38 -0.96 -2.46 115.31 114.67 1ukl h LEU 25 Ca 0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ukl h LEU 25 Cb 0.65 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ukl h LEU 25 CO -0.18 -0.30 -0.08 -0.08 0.09 0.00 0.00 178.44 177.89 1ukl h GLU 26 N -0.33 -0.23 -1.52 1.13 4.81 -1.59 -0.30 114.58 116.54 1ukl h GLU 26 Ca 0.08 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1ukl h GLU 26 Cb 0.45 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ukl h GLU 26 CO -0.26 0.10 0.00 -2.13 -0.73 0.00 0.00 179.01 175.99 1ukl n ARG 27 N -5.04 0.68 0.00 1.92 0.63 0.42 -1.32 116.66 113.95 1ukl n ARG 27 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1ukl n ARG 27 Cb 0.23 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1ukl n ARG 27 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ukl n ALA 28 N 0.95 0.00 0.13 5.13 0.00 -0.93 -4.87 120.51 120.92 1ukl n ALA 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ukl n ALA 28 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1ukl n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ukl h ALA 29 N 0.00 -0.39 -0.69 0.00 0.00 0.28 -2.87 119.26 115.59 1ukl h ALA 29 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ukl h ALA 29 Cb 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1ukl h ALA 29 CO 0.00 -0.47 0.34 0.28 0.00 0.00 0.00 179.25 179.40 1ukl h VAL 30 N -0.89 0.86 -0.01 0.00 2.07 -1.86 1.49 116.25 117.91 1ukl h VAL 30 Ca -0.04 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ukl h VAL 30 Cb 0.51 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1ukl h VAL 30 CO 0.07 0.11 -0.45 -0.08 0.02 0.00 0.00 177.57 177.23 1ukl h GLU 31 N 0.59 -0.54 -2.21 1.57 4.57 -1.87 -3.35 114.58 113.34 1ukl h GLU 31 Ca 0.33 0.04 -0.58 0.00 -1.18 0.00 0.00 59.36 57.97 1ukl h GLU 31 Cb 0.33 0.12 -0.39 0.00 -0.16 0.00 0.00 28.75 28.66 1ukl h GLU 31 CO -0.26 -0.36 -1.02 0.09 -1.18 0.00 0.00 179.01 176.28 1ukl n ASN 32 N -4.98 -0.04 -0.15 1.04 3.02 -0.98 -4.94 115.26 108.21 1ukl n ASN 32 Ca -0.06 -2.55 -0.10 0.00 -0.03 0.00 0.00 54.58 51.83 1ukl n ASN 32 Cb 0.33 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 1ukl n ASN 32 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1ukl h LEU 33 N 4.85 0.75 -0.30 3.41 5.85 0.19 0.25 115.31 130.32 1ukl h LEU 33 Ca 0.17 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1ukl h LEU 33 Cb 0.89 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1ukl h LEU 33 CO 0.43 0.87 0.00 -2.65 -0.34 0.00 0.00 178.44 176.74 1ukl n PRO 34 N -4.41 0.05 -0.66 5.25 -0.02 -1.26 -0.83 135.00 133.12 1ukl n PRO 34 Ca -0.00 0.43 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1ukl n PRO 34 Cb 0.29 -1.62 0.16 0.00 -0.02 0.00 0.00 33.50 32.32 1ukl n PRO 34 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ukl n THR 35 N -1.71 1.76 0.00 3.45 -1.04 -0.26 -4.19 114.28 112.29 1ukl n THR 35 Ca 0.01 -2.67 0.00 0.00 -2.04 0.00 0.00 64.05 59.35 1ukl n THR 35 Cb 0.09 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1ukl n THR 35 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1ukl n PHE 36 N -0.88 0.00 -0.08 -1.42 7.35 0.73 -4.73 117.46 118.43 1ukl n PHE 36 Ca 0.16 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.63 1ukl n PHE 36 Cb 0.75 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.46 1ukl n PHE 36 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ukl h LEU 37 N 0.00 0.09 -0.53 -2.13 3.38 -1.48 -3.26 115.31 111.38 1ukl h LEU 37 Ca 0.00 -0.61 0.09 0.00 0.09 0.00 0.00 57.88 57.46 1ukl h LEU 37 Cb 0.47 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 1ukl h LEU 37 CO 0.00 1.55 -0.34 0.58 0.09 0.00 0.00 178.44 180.31 1ukl h VAL 38 N -0.80 0.18 -0.99 1.22 2.07 -1.75 0.56 116.25 116.74 1ukl h VAL 38 Ca -0.35 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1ukl h VAL 38 Cb 1.44 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 1ukl h VAL 38 CO -0.15 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.75 1ukl h GLU 39 N -0.20 1.00 -0.76 1.57 3.07 -1.85 0.17 114.58 117.58 1ukl h GLU 39 Ca 0.21 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1ukl h GLU 39 Cb 0.55 -0.23 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1ukl h GLU 39 CO -0.64 0.66 0.50 -0.07 -1.40 0.00 0.00 179.01 178.06 1ukl h LEU 40 N 1.03 0.85 -2.90 1.33 3.38 -0.02 0.33 115.31 119.32 1ukl h LEU 40 Ca 0.47 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1ukl h LEU 40 Cb 0.39 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ukl h LEU 40 CO -0.23 0.61 -0.00 -1.28 0.09 0.00 0.00 178.44 177.63 1ukl h SER 41 N 1.00 0.00 0.08 -0.43 0.87 0.12 -1.46 113.55 113.72 1ukl h SER 41 Ca 0.28 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.57 1ukl h SER 41 Cb -0.08 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1ukl h SER 41 CO -0.07 0.00 -1.10 0.03 -0.53 0.00 0.00 176.83 175.17 1ukl h ARG 42 N 0.00 0.61 -0.10 2.24 3.08 -0.82 -2.59 114.38 116.80 1ukl h ARG 42 Ca -0.00 -0.76 -0.17 0.00 0.07 0.00 0.00 59.98 59.12 1ukl h ARG 42 Cb 0.03 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1ukl h ARG 42 CO 0.00 1.33 -0.68 0.28 -1.07 0.00 0.00 179.97 179.83 1ukl h VAL 43 N 0.23 1.37 -0.01 2.04 2.07 -1.26 -3.07 116.25 117.62 1ukl h VAL 43 Ca -0.16 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 1ukl h VAL 43 Cb 1.78 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1ukl h VAL 43 CO 0.21 0.62 0.00 0.25 0.02 0.00 0.00 177.57 178.68 1ukl h LEU 44 N 0.29 0.02 -1.91 2.57 5.85 -1.36 -2.37 115.31 118.39 1ukl h LEU 44 Ca -0.02 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1ukl h LEU 44 Cb 1.24 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1ukl h LEU 44 CO 0.12 0.21 0.05 0.00 -0.34 0.00 0.00 178.44 178.47 1ukl n ALA 45 N -2.20 2.78 -3.66 1.25 0.00 -0.98 -4.69 120.51 113.02 1ukl n ALA 45 Ca -0.07 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 1ukl n ALA 45 Cb 0.12 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 1ukl n ALA 45 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ukl s ASN 46 N 0.47 5.37 0.64 0.00 3.84 -0.90 -4.97 114.94 119.40 1ukl s ASN 46 Ca 0.06 -1.89 0.38 0.00 0.21 0.00 0.00 52.86 51.62 1ukl s ASN 46 Cb 0.05 -1.88 2.09 0.00 -0.55 0.00 0.00 41.25 40.97 1ukl s ASN 46 CO 0.01 -0.55 2.24 -0.65 -2.79 0.00 0.00 177.10 175.36 1ukl h PRO 47 N 8.17 0.00 0.59 0.43 0.11 -1.85 -3.14 132.00 136.30 1ukl h PRO 47 Ca -0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 1ukl h PRO 47 Cb 1.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ukl h PRO 47 CO 0.73 0.00 -0.28 0.78 -0.21 0.00 0.00 178.00 179.01 1ukl h GLY 48 N 0.00 -0.83 -2.45 -0.55 0.00 -1.93 -3.46 103.07 93.85 1ukl h GLY 48 Ca 0.01 0.31 -0.52 0.00 0.00 0.00 0.00 47.33 47.13 1ukl h GLY 48 CO -0.00 -0.30 -1.83 0.70 0.00 0.00 0.00 176.54 175.10 1ukl n ASN 49 N -5.24 -4.35 -3.08 0.19 3.02 -1.19 -5.01 115.26 99.60 1ukl n ASN 49 Ca -0.10 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1ukl n ASN 49 Cb 0.31 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1ukl n ASN 49 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ukl n SER 50 N 2.33 0.00 -0.28 6.41 3.41 -1.26 -4.94 113.62 119.28 1ukl n SER 50 Ca -0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1ukl n SER 50 Cb 0.61 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.68 1ukl n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukl n GLN 51 N 0.00 2.44 -0.00 4.33 10.64 -1.26 -3.96 117.38 129.57 1ukl n GLN 51 Ca 0.00 -2.15 0.01 0.00 -1.83 0.00 0.00 57.00 53.03 1ukl n GLN 51 Cb 0.00 -1.34 -0.01 0.00 -0.86 0.00 0.00 30.24 28.03 1ukl n GLN 51 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1ukl n VAL 52 N -0.61 0.00 -0.11 -0.39 0.31 -1.26 -4.09 118.33 112.17 1ukl n VAL 52 Ca 0.10 -0.29 -0.15 0.00 -0.01 0.00 0.00 64.34 63.99 1ukl n VAL 52 Cb 0.51 0.79 -0.13 0.00 -0.91 0.00 0.00 33.84 34.10 1ukl n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ukl n ALA 53 N -1.23 1.48 0.07 3.52 0.00 -1.26 -3.14 120.51 119.95 1ukl n ALA 53 Ca 0.00 -1.13 -0.21 0.00 0.00 0.00 0.00 53.44 52.09 1ukl n ALA 53 Cb 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.25 1ukl n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ukl h ARG 54 N 0.00 0.62 -0.17 0.00 3.08 -1.83 -1.14 114.38 114.94 1ukl h ARG 54 Ca -0.54 -0.78 -0.08 0.00 0.07 0.00 0.00 59.98 58.65 1ukl h ARG 54 Cb 1.97 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 32.27 1ukl h ARG 54 CO -0.05 1.34 -0.21 0.28 -1.07 0.00 0.00 179.97 180.27 1ukl h VAL 55 N 0.26 1.34 0.00 2.04 2.07 -1.78 0.55 116.25 120.73 1ukl h VAL 55 Ca -0.16 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1ukl h VAL 55 Cb 1.80 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1ukl h VAL 55 CO 0.22 0.42 -0.07 0.00 0.02 0.00 0.00 177.57 178.16 1ukl h ALA 56 N 0.61 1.10 0.03 1.67 0.00 -1.63 -0.43 119.26 120.60 1ukl h ALA 56 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ukl h ALA 56 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ukl h ALA 56 CO 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.37 1ukl h ALA 57 N 1.93 -0.04 -0.38 0.00 0.00 -0.71 -3.12 119.26 116.94 1ukl h ALA 57 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ukl h ALA 57 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ukl h ALA 57 CO 0.01 -0.18 0.15 0.78 0.00 0.00 0.00 179.25 180.02 1ukl h GLY 58 N -0.72 0.57 0.93 0.00 0.00 -0.38 -2.52 103.07 100.94 1ukl h GLY 58 Ca -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1ukl h GLY 58 CO 0.01 0.25 0.42 -2.00 0.00 0.00 0.00 176.54 175.22 1ukl h LEU 59 N 0.53 0.71 -0.10 3.11 5.85 -1.13 0.83 115.31 125.12 1ukl h LEU 59 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ukl h LEU 59 Cb 0.11 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1ukl h LEU 59 CO -0.01 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.59 1ukl n GLN 60 N -4.66 0.09 -0.04 1.25 1.13 -1.00 -0.42 117.38 113.72 1ukl n GLN 60 Ca 0.06 0.17 -0.10 0.00 -1.94 0.00 0.00 57.00 55.19 1ukl n GLN 60 Cb 0.06 -1.62 -0.14 0.00 0.11 0.00 0.00 30.24 28.64 1ukl n GLN 60 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1ukl n ILE 61 N -1.78 1.56 0.06 5.09 5.41 -0.26 -3.50 119.36 125.93 1ukl n ILE 61 Ca 0.05 -0.80 -0.04 0.00 1.00 0.00 0.00 62.75 62.97 1ukl n ILE 61 Cb 0.31 -0.94 -0.02 0.00 -0.71 0.00 0.00 39.64 38.27 1ukl n ILE 61 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1ukl h LYS 62 N 0.00 -0.24 -0.62 0.38 1.57 0.99 -3.25 116.57 115.41 1ukl h LYS 62 Ca -0.37 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.55 1ukl h LYS 62 Cb 2.07 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 34.40 1ukl h LYS 62 CO 0.06 -0.16 0.42 -0.91 -0.57 0.00 0.00 179.45 178.30 1ukl h ASN 63 N -0.99 0.26 0.04 0.86 2.35 -0.95 0.67 115.58 117.81 1ukl h ASN 63 Ca -0.03 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1ukl h ASN 63 Cb 0.19 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1ukl h ASN 63 CO 0.04 0.14 0.00 -1.54 -1.65 0.00 0.00 177.43 174.43 1ukl n SER 64 N -4.45 0.00 -0.10 5.81 3.41 -1.23 -2.71 113.62 114.35 1ukl n SER 64 Ca 0.11 -0.86 0.02 0.00 -0.26 0.00 0.00 58.87 57.88 1ukl n SER 64 Cb 0.49 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1ukl n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ukl n LEU 65 N -1.02 1.13 -3.58 1.04 4.77 0.22 -4.90 117.00 114.66 1ukl n LEU 65 Ca 0.21 -1.45 -0.05 0.00 -0.03 0.00 0.00 56.01 54.69 1ukl n LEU 65 Cb 0.11 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1ukl n LEU 65 CO 0.17 0.35 0.93 0.28 -1.33 0.00 0.00 177.39 177.79 1ukl s THR 66 N -0.90 0.00 -0.01 -5.08 -1.32 -0.17 -4.76 115.64 103.40 1ukl s THR 66 Ca 0.06 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.23 1ukl s THR 66 Cb 0.06 -1.06 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 1ukl s THR 66 CO 0.01 0.00 0.92 -0.55 -2.21 0.00 0.00 174.62 172.79 1ukl s SER 67 N -2.30 -0.33 -0.94 8.08 0.15 -1.26 -4.49 113.70 112.60 1ukl s SER 67 Ca 0.09 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ukl s SER 67 Cb -0.01 0.37 0.32 0.00 -1.71 0.00 0.00 66.02 64.99 1ukl s SER 67 CO -0.06 -0.60 1.62 1.17 1.20 0.00 0.00 173.24 176.57 1ukl n LYS 68 N -0.25 4.91 -3.55 5.44 4.81 -1.26 -4.55 118.16 123.72 1ukl n LYS 68 Ca -0.08 -4.70 -0.19 0.00 -0.87 0.00 0.00 58.31 52.47 1ukl n LYS 68 Cb 0.61 -2.43 -0.14 0.00 0.02 0.00 0.00 35.03 33.10 1ukl n LYS 68 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ukl s ASP 69 N -1.80 1.43 0.00 3.14 1.01 -1.26 -5.03 116.67 114.17 1ukl s ASP 69 Ca 0.40 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.47 1ukl s ASP 69 Cb 0.19 0.25 0.00 0.00 1.01 0.00 0.00 42.92 44.38 1ukl s ASP 69 CO -0.11 -0.32 0.48 -2.65 0.21 0.00 0.00 175.17 172.79 1ukl n PRO 70 N 5.31 0.00 -0.02 8.23 -0.02 -1.26 -0.98 135.00 146.27 1ukl n PRO 70 Ca -0.06 0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.38 1ukl n PRO 70 Cb 0.49 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1ukl n PRO 70 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ukl n ASP 71 N -0.98 1.09 0.28 2.55 -0.08 -1.26 -4.39 116.55 113.76 1ukl n ASP 71 Ca 0.00 0.17 0.18 0.00 -1.51 0.00 0.00 54.79 53.63 1ukl n ASP 71 Cb 0.45 -0.39 0.95 0.00 2.34 0.00 0.00 41.12 44.47 1ukl n ASP 71 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1ukl h ILE 72 N -0.33 0.32 0.23 5.18 2.04 -1.66 -2.83 117.51 120.46 1ukl h ILE 72 Ca -0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1ukl h ILE 72 Cb 0.68 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1ukl h ILE 72 CO -0.06 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.48 1ukl h LYS 73 N 0.00 -0.30 -1.72 2.37 3.64 -1.30 -3.25 116.57 116.01 1ukl h LYS 73 Ca 0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ukl h LYS 73 Cb 0.25 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ukl h LYS 73 CO -0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 179.45 176.98 1ukl n ALA 74 N -2.40 1.98 0.00 5.00 0.00 -1.07 -1.92 120.51 122.09 1ukl n ALA 74 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ukl n ALA 74 Cb 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1ukl n ALA 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ukl n GLN 75 N 1.05 1.52 0.08 0.00 7.27 -1.21 -4.73 117.38 121.36 1ukl n GLN 75 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1ukl n GLN 75 Cb 0.18 -0.78 -0.07 0.00 2.41 0.00 0.00 30.24 31.97 1ukl n GLN 75 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1ukl h TYR 76 N 0.00 0.17 -0.05 3.69 0.99 -1.42 -3.23 116.97 117.12 1ukl h TYR 76 Ca 0.00 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.63 1ukl h TYR 76 Cb 0.56 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.26 1ukl h TYR 76 CO 0.00 1.02 -0.04 1.96 -0.00 0.00 0.00 178.16 181.10 1ukl h GLN 77 N 0.04 -0.05 -0.00 4.88 4.20 -1.86 -0.57 115.11 121.76 1ukl h GLN 77 Ca -0.04 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1ukl h GLN 77 Cb 1.70 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.43 1ukl h GLN 77 CO 0.14 -0.03 -0.38 1.96 -0.67 0.00 0.00 178.83 179.85 1ukl h GLN 78 N -0.05 -0.51 -0.65 1.46 4.20 -1.85 0.37 115.11 118.08 1ukl h GLN 78 Ca 0.03 0.04 0.19 0.00 0.06 0.00 0.00 58.65 58.97 1ukl h GLN 78 Cb 0.10 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1ukl h GLN 78 CO -0.08 -0.34 0.63 0.00 -0.67 0.00 0.00 178.83 178.37 1ukl h ARG 79 N -0.53 0.00 -0.21 1.46 3.08 -1.47 0.78 114.38 117.48 1ukl h ARG 79 Ca 0.05 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1ukl h ARG 79 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1ukl h ARG 79 CO -0.30 0.00 -0.51 2.35 -1.07 0.00 0.00 179.97 180.44 1ukl h TRP 80 N 0.00 0.74 -0.16 3.04 2.91 0.13 -3.15 115.95 119.46 1ukl h TRP 80 Ca 0.31 -0.25 -0.10 0.00 1.13 0.00 0.00 58.89 59.97 1ukl h TRP 80 Cb 1.57 -0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 30.00 1ukl h TRP 80 CO 0.00 0.99 -0.41 -0.11 -1.03 0.00 0.00 178.44 177.88 1ukl n LEU 81 N -3.98 3.31 -0.03 0.65 7.94 0.22 -4.03 117.00 121.09 1ukl n LEU 81 Ca -0.03 -3.96 0.05 0.00 -1.11 0.00 0.00 56.01 50.96 1ukl n LEU 81 Cb 0.59 -0.55 -0.05 0.00 0.53 0.00 0.00 43.42 43.95 1ukl n LEU 81 CO 0.47 1.44 0.01 0.00 -1.11 0.00 0.00 177.39 178.20 1ukl n ALA 82 N -1.09 3.17 -1.90 1.96 0.00 0.15 -4.94 120.51 117.88 1ukl n ALA 82 Ca 0.25 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1ukl n ALA 82 Cb 0.80 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 20.04 1ukl n ALA 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1ukl s ILE 83 N -1.81 2.00 -0.30 0.00 2.07 -1.19 -4.91 121.20 117.05 1ukl s ILE 83 Ca 0.04 0.00 -0.39 0.00 -1.41 0.00 0.00 60.65 58.89 1ukl s ILE 83 Cb 0.07 -2.99 -0.15 0.00 0.13 0.00 0.00 42.46 39.53 1ukl s ILE 83 CO 0.37 0.00 1.88 -0.67 -1.91 0.00 0.00 174.94 174.60 1ukl n ASP 84 N -3.52 2.29 0.00 4.50 4.64 -1.26 -4.69 116.55 118.51 1ukl n ASP 84 Ca 0.11 0.90 0.02 0.00 -1.38 0.00 0.00 54.79 54.44 1ukl n ASP 84 Cb 0.60 -1.16 0.13 0.00 -1.04 0.00 0.00 41.12 39.65 1ukl n ASP 84 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ukl n ALA 85 N 6.55 1.76 0.01 -1.67 0.00 -1.26 0.40 120.51 126.30 1ukl n ALA 85 Ca 0.31 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.74 1ukl n ALA 85 Cb 0.15 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1ukl n ALA 85 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ukl n ASN 86 N -0.79 3.99 0.17 0.00 3.02 -1.26 -4.34 115.26 116.05 1ukl n ASN 86 Ca 0.03 -0.04 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1ukl n ASN 86 Cb 0.02 1.14 0.30 0.00 -0.61 0.00 0.00 39.78 40.62 1ukl n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukl h ALA 87 N 0.31 1.15 0.00 5.41 0.00 -0.39 -2.71 119.26 123.04 1ukl h ALA 87 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1ukl h ALA 87 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ukl h ALA 87 CO 0.00 0.57 -1.20 0.07 0.00 0.00 0.00 179.25 178.70 1ukl h ARG 88 N 0.00 0.00 -0.83 0.00 0.11 -1.79 -3.38 114.38 108.49 1ukl h ARG 88 Ca -0.00 0.00 0.31 0.00 0.10 0.00 0.00 59.98 60.38 1ukl h ARG 88 Cb 0.86 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.79 1ukl h ARG 88 CO 0.06 0.32 0.30 -2.13 0.10 0.00 0.00 179.97 178.61 1ukl n ARG 89 N -2.95 -0.06 -0.03 0.08 0.63 -1.02 -0.65 116.66 112.66 1ukl n ARG 89 Ca -0.07 1.18 -0.13 0.00 -0.92 0.00 0.00 57.85 57.91 1ukl n ARG 89 Cb 0.80 -2.03 -0.14 0.00 0.45 0.00 0.00 32.46 31.54 1ukl n ARG 89 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1ukl n GLU 90 N -4.98 0.68 -0.21 -0.14 4.07 -1.26 -4.23 120.64 114.57 1ukl n GLU 90 Ca 0.27 0.24 0.03 0.00 -0.06 0.00 0.00 57.16 57.65 1ukl n GLU 90 Cb 0.92 -1.72 0.29 0.00 -0.06 0.00 0.00 31.44 30.88 1ukl n GLU 90 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ukl h VAL 91 N 0.02 1.10 0.00 6.31 2.07 -1.07 -0.11 116.25 124.58 1ukl h VAL 91 Ca -0.38 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1ukl h VAL 91 Cb 2.04 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1ukl h VAL 91 CO 0.06 0.16 0.00 2.29 0.02 0.00 0.00 177.57 180.11 1ukl n LYS 92 N -4.46 0.77 0.00 1.57 2.85 -0.72 -1.76 118.16 116.42 1ukl n LYS 92 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1ukl n LYS 92 Cb 0.13 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1ukl n LYS 92 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ukl n ASN 93 N 0.49 0.00 0.00 -5.58 6.94 -0.99 -4.63 115.26 111.49 1ukl n ASN 93 Ca 0.00 -0.31 -0.13 0.00 -0.02 0.00 0.00 54.58 54.12 1ukl n ASN 93 Cb 0.34 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.62 1ukl n ASN 93 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1ukl h TYR 94 N 0.00 0.19 0.01 -2.53 5.03 -0.40 -3.32 116.97 115.94 1ukl h TYR 94 Ca 0.00 -0.14 -0.36 0.00 2.58 0.00 0.00 58.73 60.81 1ukl h TYR 94 Cb 0.15 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.36 1ukl h TYR 94 CO 0.00 1.25 -2.28 0.28 -1.32 0.00 0.00 178.16 176.09 1ukl n VAL 95 N -3.24 1.47 0.65 1.81 0.31 -0.72 -4.08 118.33 114.54 1ukl n VAL 95 Ca -0.19 -0.77 0.05 0.00 -0.01 0.00 0.00 64.34 63.42 1ukl n VAL 95 Cb 1.04 -0.84 0.30 0.00 -0.91 0.00 0.00 33.84 33.43 1ukl n VAL 95 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ukl n LEU 96 N -2.96 0.00 0.00 7.52 7.94 -1.26 -1.61 117.00 126.64 1ukl n LEU 96 Ca -0.33 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.57 1ukl n LEU 96 Cb 1.10 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.05 1ukl n LEU 96 CO 0.40 0.00 0.05 0.00 -1.11 0.00 0.00 177.39 176.73 1ukl n GLN 97 N -0.99 5.27 0.20 1.96 6.02 -1.25 -4.52 117.38 124.08 1ukl n GLN 97 Ca 0.08 -0.10 0.14 0.00 -0.01 0.00 0.00 57.00 57.10 1ukl n GLN 97 Cb 0.03 -0.60 0.48 0.00 1.02 0.00 0.00 30.24 31.17 1ukl n GLN 97 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1ukl h THR 98 N 0.00 0.00 -2.25 5.09 2.02 -1.45 -3.44 112.91 112.89 1ukl h THR 98 Ca 0.00 -0.55 -0.57 0.00 0.77 0.00 0.00 66.41 66.06 1ukl h THR 98 Cb 0.00 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1ukl h THR 98 CO 0.00 0.00 1.35 -0.76 0.37 0.00 0.00 175.52 176.48 1ukl s LEU 99 N -5.54 3.85 0.00 2.58 1.43 -1.25 -1.76 118.68 118.00 1ukl s LEU 99 Ca 0.05 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1ukl s LEU 99 Cb 0.09 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1ukl s LEU 99 CO 0.55 -1.55 0.00 0.61 0.23 0.00 0.00 176.35 176.19 1ukl n GLY 100 N 5.18 1.38 0.12 -3.19 0.00 -1.25 -4.77 105.19 102.66 1ukl n GLY 100 Ca 0.25 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1ukl n GLY 100 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ukl n THR 101 N -1.85 1.56 -2.35 2.61 -1.04 -0.72 -4.71 114.28 107.77 1ukl n THR 101 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1ukl n THR 101 Cb 0.17 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 1ukl n THR 101 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ukl n GLU 102 N -4.21 3.69 -0.04 -2.82 4.07 -1.26 -5.01 120.64 115.05 1ukl n GLU 102 Ca -0.40 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.69 1ukl n GLU 102 Cb 0.80 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 32.18 1ukl n GLU 102 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ukl h THR 103 N 0.00 0.00 -0.10 6.31 1.35 -2.00 -3.45 112.91 115.03 1ukl h THR 103 Ca 0.00 -0.74 -0.18 0.00 -0.55 0.00 0.00 66.41 64.94 1ukl h THR 103 Cb 0.00 0.00 -0.34 0.00 -1.73 0.00 0.00 68.15 66.08 1ukl h THR 103 CO 0.00 0.00 -0.89 -1.22 -0.25 0.00 0.00 175.52 173.16 1ukl n TYR 104 N -4.03 0.15 0.00 4.73 4.02 -1.26 -4.88 117.16 115.89 1ukl n TYR 104 Ca -0.02 -0.94 0.00 0.00 -0.01 0.00 0.00 57.90 56.92 1ukl n TYR 104 Cb 0.09 0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1ukl n TYR 104 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ukl n ARG 105 N 0.05 0.60 -0.05 -0.72 5.12 -1.26 -4.55 116.66 115.84 1ukl n ARG 105 Ca -0.01 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.97 1ukl n ARG 105 Cb 0.98 -0.98 0.25 0.00 -1.16 0.00 0.00 32.46 31.55 1ukl n ARG 105 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1ukl n PRO 106 N -1.50 1.30 0.05 5.56 -0.02 -1.26 -3.64 135.00 135.49 1ukl n PRO 106 Ca 0.00 -0.46 0.20 0.00 -2.02 0.00 0.00 63.50 61.22 1ukl n PRO 106 Cb 0.05 -1.21 0.72 0.00 -0.02 0.00 0.00 33.50 33.04 1ukl n PRO 106 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ukl h SER 107 N 0.82 0.00 -0.49 2.55 0.87 -1.94 0.53 113.55 115.90 1ukl h SER 107 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1ukl h SER 107 Cb 0.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1ukl h SER 107 CO 0.00 0.00 0.33 0.77 -0.53 0.00 0.00 176.83 177.40 1ukl h SER 108 N 0.00 0.49 -0.67 6.23 4.64 -1.93 -0.06 113.55 122.26 1ukl h SER 108 Ca 0.21 -0.01 0.19 0.00 -0.47 0.00 0.00 61.79 61.72 1ukl h SER 108 Cb 0.93 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1ukl h SER 108 CO -0.00 0.34 0.60 0.00 -0.87 0.00 0.00 176.83 176.90 1ukl h ALA 109 N 1.71 2.50 -0.01 5.18 0.00 -0.22 0.52 119.26 128.94 1ukl h ALA 109 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ukl h ALA 109 Cb 0.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ukl h ALA 109 CO -0.05 -0.94 -0.02 0.77 0.00 0.00 0.00 179.25 179.01 1ukl h SER 110 N 0.00 0.03 -0.02 0.00 0.02 -1.13 -0.41 113.55 112.04 1ukl h SER 110 Ca 0.32 -0.59 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1ukl h SER 110 Cb 1.51 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 1ukl h SER 110 CO -0.00 0.62 0.27 1.56 -1.14 0.00 0.00 176.83 178.14 1ukl h GLN 111 N -0.56 0.00 0.00 3.45 1.08 -0.01 -2.26 115.11 116.82 1ukl h GLN 111 Ca -0.00 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.78 1ukl h GLN 111 Cb 0.61 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 1ukl h GLN 111 CO 0.00 0.00 -2.32 0.00 -0.95 0.00 0.00 178.83 175.56 1ukl h VAL 113 N -0.84 0.00 0.00 0.00 2.07 -0.76 -2.10 116.25 114.62 1ukl h VAL 113 Ca -0.63 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1ukl h VAL 113 Cb 1.62 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1ukl h VAL 113 CO -0.33 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.26 1ukl n ALA 114 N -1.88 0.00 -0.33 1.67 0.00 -0.88 -3.51 120.51 115.59 1ukl n ALA 114 Ca -0.02 -0.02 0.25 0.00 0.00 0.00 0.00 53.44 53.65 1ukl n ALA 114 Cb 0.36 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.28 1ukl n ALA 114 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ukl h GLY 115 N 0.00 1.92 0.75 0.00 0.00 -1.59 0.62 103.07 104.76 1ukl h GLY 115 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1ukl h GLY 115 CO 0.00 -0.64 -0.41 -2.22 0.00 0.00 0.00 176.54 173.27 1ukl h ILE 116 N 0.09 0.00 -0.30 2.60 2.04 -1.59 -2.40 117.51 117.95 1ukl h ILE 116 Ca 0.74 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.69 1ukl h ILE 116 Cb 1.80 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1ukl h ILE 116 CO -0.76 0.00 0.22 0.00 0.00 0.00 0.00 178.15 177.61 1ukl h ALA 117 N -1.38 2.27 0.00 1.87 0.00 -0.88 0.15 119.26 121.29 1ukl h ALA 117 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ukl h ALA 117 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ukl h ALA 117 CO 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1ukl n ALA 119 N -0.29 0.42 1.16 0.00 0.00 0.44 -4.85 120.51 117.39 1ukl n ALA 119 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ukl n ALA 119 Cb 0.03 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.71 1ukl n ALA 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ukl n GLU 120 N -0.24 1.84 -0.08 0.00 1.02 -0.72 -4.26 120.64 118.21 1ukl n GLU 120 Ca 0.00 -1.39 -0.13 0.00 -0.02 0.00 0.00 57.16 55.62 1ukl n GLU 120 Cb 0.00 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 1ukl n GLU 120 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ukl n ILE 121 N 0.64 1.51 0.66 -3.67 5.41 -0.78 -2.20 119.36 120.93 1ukl n ILE 121 Ca 0.15 -0.75 0.06 0.00 1.00 0.00 0.00 62.75 63.20 1ukl n ILE 121 Cb 0.49 -0.97 0.32 0.00 -0.71 0.00 0.00 39.64 38.77 1ukl n ILE 121 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ukl n PRO 122 N -3.02 0.31 -0.15 0.38 -0.02 -1.26 -2.03 135.00 129.21 1ukl n PRO 122 Ca -0.33 0.03 0.06 0.00 -2.02 0.00 0.00 63.50 61.24 1ukl n PRO 122 Cb 1.08 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 33.14 1ukl n PRO 122 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1ukl n VAL 123 N -1.05 1.23 -3.03 -1.45 0.24 -1.26 -5.04 118.33 107.97 1ukl n VAL 123 Ca 0.08 -1.44 -0.16 0.00 -2.04 0.00 0.00 64.34 60.77 1ukl n VAL 123 Cb 0.05 0.11 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 1ukl n VAL 123 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1ukl n SER 124 N -0.90 -7.28 -3.47 -1.34 2.88 -0.86 -5.03 113.62 97.62 1ukl n SER 124 Ca 0.09 0.37 -0.10 0.00 -1.33 0.00 0.00 58.87 57.91 1ukl n SER 124 Cb 0.59 -4.34 -0.02 0.00 -0.75 0.00 0.00 64.21 59.69 1ukl n SER 124 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ukl s GLN 125 N -2.52 1.90 -1.40 -1.46 -0.44 -0.93 -4.96 119.66 109.84 1ukl s GLN 125 Ca 0.28 -1.36 -0.05 0.00 -2.50 0.00 0.00 55.36 51.73 1ukl s GLN 125 Cb -0.06 0.55 0.00 0.00 -1.64 0.00 0.00 33.01 31.86 1ukl s GLN 125 CO 0.79 -0.84 0.38 1.87 0.50 0.00 0.00 175.29 177.99 1ukl n TRP 126 N -0.48 -1.57 1.05 1.67 -0.00 -1.26 -4.58 117.44 112.27 1ukl n TRP 126 Ca -0.04 0.64 0.00 0.00 -0.00 0.00 0.00 57.50 58.10 1ukl n TRP 126 Cb 0.61 -3.44 0.00 0.00 -0.00 0.00 0.00 31.31 28.48 1ukl n TRP 126 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1ukl n PRO 127 N -4.47 0.53 -0.34 5.87 -0.04 -1.26 -2.15 135.00 133.14 1ukl n PRO 127 Ca -0.28 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.26 1ukl n PRO 127 Cb 0.67 -1.01 0.22 0.00 -0.04 0.00 0.00 33.50 33.35 1ukl n PRO 127 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ukl n GLU 128 N -0.48 2.68 0.00 0.54 4.71 -1.26 -4.63 120.64 122.19 1ukl n GLU 128 Ca 0.00 -2.66 0.00 0.00 -0.01 0.00 0.00 57.16 54.49 1ukl n GLU 128 Cb 0.00 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 1ukl n GLU 128 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ukl n LEU 129 N -0.51 0.00 -0.36 -4.62 7.94 -0.91 -4.20 117.00 114.33 1ukl n LEU 129 Ca 0.19 0.00 0.26 0.00 -1.11 0.00 0.00 56.01 55.35 1ukl n LEU 129 Cb 0.78 -0.30 0.52 0.00 0.53 0.00 0.00 43.42 44.95 1ukl n LEU 129 CO 0.12 -0.31 1.19 0.40 -1.11 0.00 0.00 177.39 177.68 1ukl h ILE 130 N 0.00 0.36 -0.57 1.96 1.08 -1.86 0.45 117.51 118.92 1ukl h ILE 130 Ca 0.00 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1ukl h ILE 130 Cb 0.00 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 33.74 1ukl h ILE 130 CO 0.00 0.06 0.36 -0.65 -0.69 0.00 0.00 178.15 177.22 1ukl h PRO 131 N 0.32 0.77 0.00 2.37 0.11 -1.82 -2.97 132.00 130.78 1ukl h PRO 131 Ca 0.69 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.74 1ukl h PRO 131 Cb 1.79 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.73 1ukl h PRO 131 CO -0.43 0.54 0.00 0.94 -0.21 0.00 0.00 178.00 178.85 1ukl n GLN 132 N -4.65 0.00 -0.16 1.05 -0.06 0.15 -2.63 117.38 111.08 1ukl n GLN 132 Ca 0.04 0.05 0.07 0.00 -2.00 0.00 0.00 57.00 55.15 1ukl n GLN 132 Cb 0.04 -0.96 0.13 0.00 -4.06 0.00 0.00 30.24 25.40 1ukl n GLN 132 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ukl n LEU 133 N -0.51 -0.06 0.09 1.69 4.77 -1.00 -0.09 117.00 121.90 1ukl n LEU 133 Ca 0.00 0.78 -0.04 0.00 -0.03 0.00 0.00 56.01 56.72 1ukl n LEU 133 Cb 0.00 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1ukl n LEU 133 CO 0.00 -0.79 0.51 0.58 -1.33 0.00 0.00 177.39 176.36 1ukl h VAL 134 N 0.00 0.00 -1.30 4.08 2.07 -1.57 -2.45 116.25 117.07 1ukl h VAL 134 Ca 0.28 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.17 1ukl h VAL 134 Cb 0.57 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1ukl h VAL 134 CO -0.43 0.00 1.08 0.00 0.02 0.00 0.00 177.57 178.24 1ukl h ALA 135 N -1.88 3.20 0.00 1.67 0.00 -0.25 0.71 119.26 122.71 1ukl h ALA 135 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ukl h ALA 135 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ukl h ALA 135 CO 0.04 -1.76 0.00 0.09 0.00 0.00 0.00 179.25 177.62 1ukl n ASN 136 N -3.79 0.00 0.00 0.00 4.13 -0.46 -1.45 115.26 113.68 1ukl n ASN 136 Ca 0.29 -0.46 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1ukl n ASN 136 Cb 1.49 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.73 1ukl n ASN 136 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1ukl n VAL 137 N -0.95 0.00 0.24 2.41 0.31 0.24 -4.43 118.33 116.14 1ukl n VAL 137 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.52 1ukl n VAL 137 Cb 0.04 -0.22 0.58 0.00 -0.91 0.00 0.00 33.84 33.33 1ukl n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ukl h THR 138 N 0.00 0.71 -2.51 2.52 1.03 -1.39 -3.40 112.91 109.86 1ukl h THR 138 Ca 0.00 -0.85 -0.55 0.00 -0.01 0.00 0.00 66.41 65.00 1ukl h THR 138 Cb 0.32 1.53 -0.03 0.00 -1.07 0.00 0.00 68.15 68.90 1ukl h THR 138 CO 0.00 0.20 1.28 0.21 -0.01 0.00 0.00 175.52 177.20 1ukl s ASN 139 N -6.32 5.73 0.00 0.00 3.04 -0.53 -4.86 114.94 111.99 1ukl s ASN 139 Ca -0.02 0.96 0.00 0.00 0.04 0.00 0.00 52.86 53.85 1ukl s ASN 139 Cb 0.13 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.31 1ukl s ASN 139 CO 0.63 -1.90 0.96 -0.81 -3.04 0.00 0.00 177.10 172.94 1ukl n PRO 140 N 8.62 0.59 -2.00 0.43 -0.04 -1.26 -3.15 135.00 138.19 1ukl n PRO 140 Ca 0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.67 1ukl n PRO 140 Cb 0.49 -1.21 0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1ukl n PRO 140 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ukl n ASN 141 N 1.34 0.13 -4.76 3.54 2.85 -1.26 -5.12 115.26 111.97 1ukl n ASN 141 Ca 0.00 -2.06 -0.22 0.00 -0.11 0.00 0.00 54.58 52.19 1ukl n ASN 141 Cb 0.29 0.02 -0.05 0.00 1.24 0.00 0.00 39.78 41.28 1ukl n ASN 141 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ukl s SER 142 N -2.05 5.17 0.59 1.20 0.01 -1.19 -5.13 113.70 112.30 1ukl s SER 142 Ca 0.19 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 1ukl s SER 142 Cb 0.29 -1.19 0.04 0.00 0.21 0.00 0.00 66.02 65.37 1ukl s SER 142 CO -0.09 -0.05 0.85 0.42 0.41 0.00 0.00 173.24 174.79 1ukl s THR 143 N -2.21 2.79 0.01 1.44 -4.23 -1.26 -4.89 115.64 107.29 1ukl s THR 143 Ca 0.33 -0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1ukl s THR 143 Cb -0.07 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1ukl s THR 143 CO 0.23 -0.08 1.07 -0.33 -0.54 0.00 0.00 174.62 174.97 1ukl h GLU 144 N -0.13 -0.27 -1.31 3.99 5.08 -2.00 0.18 114.58 120.12 1ukl h GLU 144 Ca -0.44 0.02 0.44 0.00 -1.00 0.00 0.00 59.36 58.38 1ukl h GLU 144 Cb 1.29 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.47 1ukl h GLU 144 CO 0.56 -0.18 0.83 0.45 -1.00 0.00 0.00 179.01 179.67 1ukl h HIS 145 N -0.29 0.55 0.00 4.33 3.86 -1.90 0.51 115.15 122.21 1ukl h HIS 145 Ca -0.03 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ukl h HIS 145 Cb 0.22 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1ukl h HIS 145 CO 0.17 -0.24 0.00 -0.12 0.86 0.00 0.00 177.93 178.60 1ukl n MET 146 N -4.75 0.00 0.04 2.45 0.00 -0.93 -2.79 117.12 111.14 1ukl n MET 146 Ca 0.38 0.27 -0.08 0.00 -0.00 0.00 0.00 57.70 58.26 1ukl n MET 146 Cb 1.44 -1.16 -0.05 0.00 0.00 0.00 0.00 33.22 33.45 1ukl n MET 146 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1ukl h LYS 147 N 0.00 -0.36 -0.28 2.12 1.57 0.78 -1.22 116.57 119.20 1ukl h LYS 147 Ca 0.00 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1ukl h LYS 147 Cb 0.00 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1ukl h LYS 147 CO 0.00 -0.24 -0.16 -1.91 -0.57 0.00 0.00 179.45 176.57 1ukl n GLU 148 N -4.04 -0.12 0.27 3.15 0.00 0.17 0.13 120.64 120.19 1ukl n GLU 148 Ca -0.04 0.75 0.18 0.00 0.00 0.00 0.00 57.16 58.05 1ukl n GLU 148 Cb 0.21 -1.12 0.79 0.00 0.00 0.00 0.00 31.44 31.32 1ukl n GLU 148 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1ukl h SER 149 N 0.00 0.00 0.09 4.31 0.02 -1.42 -2.03 113.55 114.53 1ukl h SER 149 Ca 0.04 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.72 1ukl h SER 149 Cb 0.11 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.68 1ukl h SER 149 CO -0.26 0.00 -1.14 0.74 -1.14 0.00 0.00 176.83 175.03 1ukl h THR 150 N 0.00 1.30 -0.11 -2.27 2.02 0.24 -2.88 112.91 111.21 1ukl h THR 150 Ca 0.00 -2.40 -0.00 0.00 0.77 0.00 0.00 66.41 64.78 1ukl h THR 150 Cb 0.36 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1ukl h THR 150 CO 0.00 0.73 0.07 -0.07 0.37 0.00 0.00 175.52 176.62 1ukl h LEU 151 N 0.23 0.13 -0.43 2.58 3.38 0.15 -2.06 115.31 119.29 1ukl h LEU 151 Ca -0.17 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1ukl h LEU 151 Cb 1.82 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.45 1ukl h LEU 151 CO 0.22 0.13 -0.30 -0.33 0.09 0.00 0.00 178.44 178.25 1ukl h GLU 152 N 0.12 -0.21 -0.24 1.13 5.08 -1.42 0.53 114.58 119.57 1ukl h GLU 152 Ca 0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ukl h GLU 152 Cb 0.02 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1ukl h GLU 152 CO -0.01 -0.14 -0.38 0.00 -1.00 0.00 0.00 179.01 177.48 1ukl h ALA 153 N 0.86 -0.66 -0.69 3.43 0.00 -1.24 1.41 119.26 122.37 1ukl h ALA 153 Ca 0.19 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1ukl h ALA 153 Cb 0.53 0.97 -0.13 0.00 0.00 0.00 0.00 17.79 19.15 1ukl h ALA 153 CO -0.55 -0.83 -0.26 0.82 0.00 0.00 0.00 179.25 178.43 1ukl h ILE 154 N -0.30 0.21 0.18 0.00 2.04 -0.60 0.55 117.51 119.58 1ukl h ILE 154 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1ukl h ILE 154 Cb 0.42 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1ukl h ILE 154 CO -0.38 0.00 -0.50 1.23 0.00 0.00 0.00 178.15 178.49 1ukl h GLY 155 N -0.07 -1.18 1.58 5.37 0.00 0.31 0.86 103.07 109.94 1ukl h GLY 155 Ca 0.30 0.63 0.00 0.00 0.00 0.00 0.00 47.33 48.26 1ukl h GLY 155 CO -0.74 -0.29 0.11 -1.72 0.00 0.00 0.00 176.54 173.90 1ukl n TYR 156 N -5.34 0.08 -0.05 5.60 4.01 0.45 -1.29 117.16 120.63 1ukl n TYR 156 Ca -0.09 0.04 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 1ukl n TYR 156 Cb 0.40 -0.46 -0.13 0.00 -0.31 0.00 0.00 39.34 38.84 1ukl n TYR 156 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1ukl h ILE 157 N 0.00 1.04 0.00 -0.72 2.04 0.12 -3.31 117.51 116.68 1ukl h ILE 157 Ca 0.00 -2.30 -0.03 0.00 1.00 0.00 0.00 64.86 63.53 1ukl h ILE 157 Cb 0.23 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1ukl h ILE 157 CO 0.00 0.55 -0.14 0.00 0.00 0.00 0.00 178.15 178.56 1ukl h GLN 159 N 0.00 0.71 0.00 0.00 -0.00 -1.63 -3.39 115.11 110.81 1ukl h GLN 159 Ca -0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 58.65 58.02 1ukl h GLN 159 Cb 0.31 0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.94 1ukl h GLN 159 CO 0.02 1.24 -0.70 -0.25 0.00 0.00 0.00 178.83 179.13 1ukl n ASP 160 N -3.90 1.37 -4.66 -0.69 8.00 -1.14 -4.98 116.55 110.56 1ukl n ASP 160 Ca -0.08 -0.44 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 1ukl n ASP 160 Cb 0.78 1.12 -0.04 0.00 -0.02 0.00 0.00 41.12 42.96 1ukl n ASP 160 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ukl s ILE 161 N -1.99 4.87 -0.44 0.53 1.01 0.29 -4.94 121.20 120.54 1ukl s ILE 161 Ca 0.01 1.58 -0.39 0.00 0.00 0.00 0.00 60.65 61.85 1ukl s ILE 161 Cb 0.05 -4.12 -0.17 0.00 0.01 0.00 0.00 42.46 38.24 1ukl s ILE 161 CO 0.31 -0.01 1.77 -0.67 0.00 0.00 0.00 174.94 176.35 1ukl n ASP 162 N 5.52 0.73 -0.33 3.58 -0.08 -1.26 -4.74 116.55 119.98 1ukl n ASP 162 Ca 0.04 0.68 0.21 0.00 -1.51 0.00 0.00 54.79 54.22 1ukl n ASP 162 Cb 0.48 -0.78 0.43 0.00 2.34 0.00 0.00 41.12 43.59 1ukl n ASP 162 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ukl h PRO 163 N 7.16 0.31 -0.14 -0.67 0.13 -1.92 -0.96 132.00 135.91 1ukl h PRO 163 Ca -0.15 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1ukl h PRO 163 Cb 1.23 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1ukl h PRO 163 CO 0.93 0.20 -0.13 1.49 -0.23 0.00 0.00 178.00 180.26 1ukl h GLU 164 N 0.32 -0.06 -3.81 0.86 4.57 -2.02 -2.67 114.58 111.76 1ukl h GLU 164 Ca 0.69 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 58.32 1ukl h GLU 164 Cb 1.53 0.01 0.02 0.00 -0.16 0.00 0.00 28.75 30.15 1ukl h GLU 164 CO -0.61 -0.04 2.75 1.04 -1.18 0.00 0.00 179.01 180.97 1ukl n GLN 165 N -3.40 2.21 0.00 1.92 6.02 -0.36 -2.04 117.38 121.73 1ukl n GLN 165 Ca -0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 1ukl n GLN 165 Cb 0.07 -2.78 0.00 0.00 1.02 0.00 0.00 30.24 28.56 1ukl n GLN 165 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1ukl n LEU 166 N 5.50 0.00 0.19 1.08 0.00 -1.10 -4.82 117.00 117.86 1ukl n LEU 166 Ca 0.52 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.69 1ukl n LEU 166 Cb 0.27 0.00 0.62 0.00 0.00 0.00 0.00 43.42 44.31 1ukl n LEU 166 CO 0.87 0.00 1.14 -0.61 0.00 0.00 0.00 177.39 178.79 1ukl h GLN 167 N 0.00 0.00 0.00 1.96 4.15 -1.07 -3.36 115.11 116.79 1ukl h GLN 167 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ukl h GLN 167 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1ukl h GLN 167 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 176.65 1ukl n ASP 168 N -3.12 0.00 -3.52 -0.69 8.00 -1.26 -4.54 116.55 111.42 1ukl n ASP 168 Ca 0.04 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 1ukl n ASP 168 Cb 0.69 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.67 1ukl n ASP 168 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ukl n LYS 169 N 0.00 0.00 0.00 -1.24 2.85 -1.26 -4.59 118.16 113.92 1ukl n LYS 169 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ukl n LYS 169 Cb 0.00 -0.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 1ukl n LYS 169 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1ukl n SER 170 N 4.19 0.07 0.02 -5.58 3.41 -1.26 -4.54 113.62 109.93 1ukl n SER 170 Ca 0.35 -0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 58.33 1ukl n SER 170 Cb 0.22 0.89 -0.14 0.00 -0.26 0.00 0.00 64.21 64.93 1ukl n SER 170 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ukl h ASN 171 N 0.00 0.15 0.79 4.04 4.21 -1.96 -1.63 115.58 121.17 1ukl h ASN 171 Ca 0.00 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.24 1ukl h ASN 171 Cb 0.00 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.16 1ukl h ASN 171 CO 0.00 1.20 -0.38 -0.33 -1.29 0.00 0.00 177.43 176.63 1ukl h GLU 172 N 0.03 -1.02 -0.36 0.81 3.07 -1.96 0.64 114.58 115.78 1ukl h GLU 172 Ca -0.23 0.07 0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1ukl h GLU 172 Cb 1.96 0.23 -0.08 0.00 -0.84 0.00 0.00 28.75 30.03 1ukl h GLU 172 CO 0.11 -0.68 -0.17 0.82 -1.40 0.00 0.00 179.01 177.70 1ukl h ILE 173 N -1.27 0.49 -0.98 3.13 2.04 -1.80 0.50 117.51 119.63 1ukl h ILE 173 Ca -0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1ukl h ILE 173 Cb 0.82 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1ukl h ILE 173 CO 0.18 0.00 0.65 0.25 0.00 0.00 0.00 178.15 179.23 1ukl h LEU 174 N -0.10 1.12 -0.46 1.44 6.46 -1.24 0.04 115.31 122.57 1ukl h LEU 174 Ca 0.18 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1ukl h LEU 174 Cb 0.38 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1ukl h LEU 174 CO -0.43 0.81 0.21 0.74 -0.62 0.00 0.00 178.44 179.16 1ukl h THR 175 N 1.32 1.19 0.18 1.05 2.02 0.27 0.41 112.91 119.36 1ukl h THR 175 Ca 0.36 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1ukl h THR 175 Cb -0.15 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1ukl h THR 175 CO -0.08 0.21 -0.12 0.00 0.37 0.00 0.00 175.52 175.91 1ukl h ALA 176 N 1.06 -0.28 -0.20 6.16 0.00 0.55 -0.68 119.26 125.87 1ukl h ALA 176 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ukl h ALA 176 Cb 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ukl h ALA 176 CO -0.02 -0.67 -0.02 0.82 0.00 0.00 0.00 179.25 179.36 1ukl h ILE 177 N -0.30 1.14 -0.22 0.00 2.04 -0.80 -1.27 117.51 118.10 1ukl h ILE 177 Ca -0.01 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 1ukl h ILE 177 Cb 0.25 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1ukl h ILE 177 CO 0.01 0.18 -0.32 0.40 0.00 0.00 0.00 178.15 178.42 1ukl h ILE 178 N 0.28 1.32 -0.50 -0.67 2.04 0.27 -3.21 117.51 117.05 1ukl h ILE 178 Ca 0.07 -1.53 -0.13 0.00 1.00 0.00 0.00 64.86 64.27 1ukl h ILE 178 Cb 0.23 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1ukl h ILE 178 CO 0.01 0.47 -0.19 1.56 0.00 0.00 0.00 178.15 180.01 1ukl h GLN 179 N 0.30 1.01 0.00 2.37 1.08 -0.85 -2.06 115.11 116.96 1ukl h GLN 179 Ca 0.02 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1ukl h GLN 179 Cb 0.91 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1ukl h GLN 179 CO 0.07 1.10 0.09 0.41 -0.95 0.00 0.00 178.83 179.56 1ukl n GLY 180 N -0.15 -0.59 0.04 3.46 0.00 -0.50 -2.03 105.19 105.42 1ukl n GLY 180 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ukl n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ukl n MET 181 N -1.78 1.10 -1.37 1.61 2.81 -0.81 -3.42 117.12 115.27 1ukl n MET 181 Ca -0.01 -0.07 -0.50 0.00 -1.81 0.00 0.00 57.70 55.32 1ukl n MET 181 Cb 0.10 -1.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1ukl n MET 181 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1ukl n ARG 182 N -2.31 0.00 0.33 0.03 1.85 -0.86 -4.73 116.66 110.97 1ukl n ARG 182 Ca -0.14 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.83 1ukl n ARG 182 Cb 0.72 -1.13 0.67 0.00 -1.05 0.00 0.00 32.46 31.66 1ukl n ARG 182 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1ukl h LYS 183 N 1.69 0.00 0.60 2.89 2.10 -1.94 -2.19 116.57 119.73 1ukl h LYS 183 Ca -0.35 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.27 1ukl h LYS 183 Cb 1.36 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.70 1ukl h LYS 183 CO 0.57 0.00 -0.29 0.93 -2.00 0.00 0.00 179.45 178.66 1ukl h GLU 184 N 0.00 -0.79 -3.18 0.07 3.07 -1.94 -3.44 114.58 108.38 1ukl h GLU 184 Ca 0.00 0.05 -0.39 0.00 -0.50 0.00 0.00 59.36 58.52 1ukl h GLU 184 Cb 0.92 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 1ukl h GLU 184 CO -0.00 -0.52 0.77 -1.91 -1.40 0.00 0.00 179.01 175.94 1ukl n GLU 185 N -5.44 0.00 0.26 2.33 4.07 -0.82 -4.86 120.64 116.16 1ukl n GLU 185 Ca -0.13 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.80 1ukl n GLU 185 Cb 0.34 -0.82 -0.09 0.00 -0.06 0.00 0.00 31.44 30.81 1ukl n GLU 185 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1ukl h PRO 186 N 5.24 -0.87 -6.33 5.31 0.11 -1.91 -3.42 132.00 130.13 1ukl h PRO 186 Ca -0.05 0.06 -0.54 0.00 0.11 0.00 0.00 66.00 65.58 1ukl h PRO 186 Cb 0.77 0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ukl h PRO 186 CO 0.63 -0.58 0.95 0.45 -0.21 0.00 0.00 178.00 179.24 1ukl s SER 187 N -4.47 6.75 0.17 -2.05 0.15 -1.26 -4.87 113.70 108.12 1ukl s SER 187 Ca -0.17 2.19 -0.06 0.00 0.70 0.00 0.00 55.95 58.60 1ukl s SER 187 Cb 0.05 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1ukl s SER 187 CO 0.62 -0.82 1.46 0.78 1.20 0.00 0.00 173.24 176.47 1ukl h ASN 188 N 8.49 0.72 -0.64 5.45 2.35 -2.00 -2.62 115.58 127.32 1ukl h ASN 188 Ca -0.38 -0.40 0.19 0.00 -0.55 0.00 0.00 56.30 55.15 1ukl h ASN 188 Cb 1.18 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 1ukl h ASN 188 CO 0.93 1.15 0.58 0.78 -1.65 0.00 0.00 177.43 179.22 1ukl h ASN 189 N 0.48 0.00 0.00 5.81 2.35 -1.97 0.18 115.58 122.43 1ukl h ASN 189 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ukl h ASN 189 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1ukl h ASN 189 CO 0.12 0.00 -0.03 0.58 -1.65 0.00 0.00 177.43 176.45 1ukl h VAL 190 N 0.00 0.00 -0.97 2.81 2.07 -1.83 -3.12 116.25 115.21 1ukl h VAL 190 Ca 0.31 -0.74 0.29 0.00 0.82 0.00 0.00 66.70 67.38 1ukl h VAL 190 Cb 1.47 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.06 1ukl h VAL 190 CO -0.00 0.00 0.10 0.29 0.02 0.00 0.00 177.57 177.98 1ukl n LYS 191 N -4.04 -0.07 -0.01 1.57 5.02 -0.63 -0.21 118.16 119.78 1ukl n LYS 191 Ca -0.00 1.43 -0.10 0.00 -2.02 0.00 0.00 58.31 57.62 1ukl n LYS 191 Cb 0.01 -2.32 -0.04 0.00 -0.02 0.00 0.00 35.03 32.67 1ukl n LYS 191 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ukl h LEU 192 N 0.00 -0.17 -1.40 -0.35 5.85 -0.80 0.23 115.31 118.67 1ukl h LEU 192 Ca 0.62 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.39 1ukl h LEU 192 Cb 1.37 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1ukl h LEU 192 CO -0.88 -0.07 0.00 0.00 -0.34 0.00 0.00 178.44 177.15 1ukl h ALA 193 N 1.08 1.00 0.06 1.25 0.00 -0.53 -1.94 119.26 120.17 1ukl h ALA 193 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 1ukl h ALA 193 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ukl h ALA 193 CO -0.14 0.00 -1.83 0.00 0.00 0.00 0.00 179.25 177.28 1ukl n ALA 194 N -1.91 1.21 -0.05 0.00 0.00 -0.38 -3.38 120.51 116.00 1ukl n ALA 194 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.62 1ukl n ALA 194 Cb 0.19 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 1ukl n ALA 194 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ukl h THR 195 N 0.03 1.35 0.00 0.00 2.02 -0.24 -1.43 112.91 114.64 1ukl h THR 195 Ca -0.34 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.19 1ukl h THR 195 Cb 2.02 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 70.41 1ukl h THR 195 CO 0.09 0.50 -0.01 0.78 0.37 0.00 0.00 175.52 177.25 1ukl h ASN 196 N 0.18 0.00 0.13 4.18 -0.26 -1.54 -1.50 115.58 116.77 1ukl h ASN 196 Ca -0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.56 1ukl h ASN 196 Cb 0.99 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.27 1ukl h ASN 196 CO 0.08 0.01 -0.81 0.00 -1.06 0.00 0.00 177.43 175.65 1ukl h ALA 197 N 1.99 -0.06 -0.56 -0.83 0.00 -1.49 -3.18 119.26 115.13 1ukl h ALA 197 Ca -0.00 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1ukl h ALA 197 Cb 0.20 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ukl h ALA 197 CO 0.00 0.40 0.35 1.25 0.00 0.00 0.00 179.25 181.24 1ukl h LEU 198 N -0.42 0.57 -0.58 0.00 5.85 -0.69 -1.68 115.31 118.36 1ukl h LEU 198 Ca -0.15 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.69 1ukl h LEU 198 Cb 1.60 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.42 1ukl h LEU 198 CO 0.13 0.40 0.04 0.25 -0.34 0.00 0.00 178.44 178.92 1ukl h LEU 199 N 0.69 -0.17 0.00 2.25 5.85 -1.39 0.36 115.31 122.90 1ukl h LEU 199 Ca 0.22 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1ukl h LEU 199 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ukl h LEU 199 CO -0.09 -0.07 0.00 0.59 -0.34 0.00 0.00 178.44 178.53 1ukl n ASN 200 N -5.22 0.00 -0.01 1.25 3.02 -0.69 -3.19 115.26 110.42 1ukl n ASN 200 Ca 0.08 0.26 0.07 0.00 -0.03 0.00 0.00 54.58 54.95 1ukl n ASN 200 Cb 0.32 -0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 38.98 1ukl n ASN 200 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ukl n SER 201 N -1.39 1.40 -0.43 6.41 3.41 0.10 -4.41 113.62 118.71 1ukl n SER 201 Ca 0.07 0.00 0.40 0.00 -0.26 0.00 0.00 58.87 59.07 1ukl n SER 201 Cb 0.18 1.64 0.64 0.00 -0.26 0.00 0.00 64.21 66.42 1ukl n SER 201 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ukl h LEU 202 N 0.00 0.00 -0.06 1.04 3.38 -0.91 0.77 115.31 119.52 1ukl h LEU 202 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ukl h LEU 202 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ukl h LEU 202 CO 0.00 0.00 0.02 -0.08 0.09 0.00 0.00 178.44 178.47 1ukl h GLU 203 N 0.00 0.09 -1.86 1.13 4.57 -1.81 -3.29 114.58 113.41 1ukl h GLU 203 Ca 0.69 -0.02 -0.70 0.00 -1.18 0.00 0.00 59.36 58.14 1ukl h GLU 203 Cb 3.21 -0.01 -0.33 0.00 -0.16 0.00 0.00 28.75 31.45 1ukl h GLU 203 CO -0.01 0.27 0.37 1.97 -1.18 0.00 0.00 179.01 180.44 1ukl n PHE 204 N -4.93 3.16 -0.46 0.92 1.16 0.26 -4.13 117.46 113.44 1ukl n PHE 204 Ca -0.07 -2.68 0.00 0.00 -1.87 0.00 0.00 57.45 52.83 1ukl n PHE 204 Cb 0.13 -0.78 0.00 0.00 -1.61 0.00 0.00 39.48 37.23 1ukl n PHE 204 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1ukl n THR 205 N -0.48 0.52 -0.32 1.97 -2.24 -1.23 -4.81 114.28 107.69 1ukl n THR 205 Ca 0.47 -0.53 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1ukl n THR 205 Cb 0.39 0.75 0.14 0.00 -2.10 0.00 0.00 70.33 69.51 1ukl n THR 205 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ukl h LYS 206 N 0.00 0.01 -0.66 -0.78 3.64 -1.77 0.62 116.57 117.62 1ukl h LYS 206 Ca 0.00 -0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1ukl h LYS 206 Cb 0.72 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.45 1ukl h LYS 206 CO 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 179.45 177.36 1ukl h ALA 207 N 1.91 0.84 0.09 5.00 0.00 -1.94 -2.90 119.26 122.25 1ukl h ALA 207 Ca 0.45 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 1ukl h ALA 207 Cb 0.73 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ukl h ALA 207 CO -0.92 -0.29 -0.04 -0.91 0.00 0.00 0.00 179.25 177.09 1ukl h ASN 208 N 0.30 -0.10 0.07 0.00 2.35 -0.15 -3.15 115.58 114.89 1ukl h ASN 208 Ca 0.36 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1ukl h ASN 208 Cb 0.55 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1ukl h ASN 208 CO -0.43 0.13 -0.03 -0.26 -1.65 0.00 0.00 177.43 175.20 1ukl h PHE 209 N -0.34 0.00 -0.69 1.19 -1.00 -1.23 -2.53 116.94 112.34 1ukl h PHE 209 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1ukl h PHE 209 Cb 0.29 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 1ukl h PHE 209 CO -0.00 0.03 0.38 -0.44 -1.61 0.00 0.00 178.31 176.67 1ukl h ASP 210 N 0.00 0.86 -2.94 2.17 3.32 -1.47 -3.38 116.42 114.97 1ukl h ASP 210 Ca -0.00 -0.09 -0.57 0.00 0.02 0.00 0.00 57.03 56.39 1ukl h ASP 210 Cb 0.07 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.31 1ukl h ASP 210 CO 0.00 0.70 0.86 -0.54 -1.72 0.00 0.00 179.24 178.55 1ukl s LYS 211 N -5.86 3.35 0.52 3.56 -0.14 -0.95 -4.89 119.74 115.34 1ukl s LYS 211 Ca -0.13 -0.09 0.40 0.00 -1.36 0.00 0.00 55.97 54.79 1ukl s LYS 211 Cb 0.14 -4.08 1.58 0.00 -1.68 0.00 0.00 37.83 33.79 1ukl s LYS 211 CO 0.79 -1.76 1.67 1.05 -0.76 0.00 0.00 175.35 176.34 1ukl h GLU 212 N 9.61 0.04 0.07 1.68 -0.00 -1.83 -2.15 114.58 121.99 1ukl h GLU 212 Ca -0.26 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.09 1ukl h GLU 212 Cb 1.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.79 1ukl h GLU 212 CO 1.19 0.03 -0.12 0.77 -0.00 0.00 0.00 179.01 180.87 1ukl h SER 213 N 0.04 -0.35 0.04 3.06 0.02 -1.90 -2.65 113.55 111.81 1ukl h SER 213 Ca 0.77 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.76 1ukl h SER 213 Cb 2.90 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 65.55 1ukl h SER 213 CO -0.10 -0.14 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.05 1ukl h GLU 214 N -0.20 -0.13 -0.53 3.45 5.08 -1.66 -3.26 114.58 117.33 1ukl h GLU 214 Ca -0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1ukl h GLU 214 Cb 0.19 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1ukl h GLU 214 CO -0.04 -0.09 -0.31 -2.13 -1.00 0.00 0.00 179.01 175.44 1ukl n ARG 215 N -5.18 -0.23 -0.38 2.33 0.63 -1.09 -0.68 116.66 112.06 1ukl n ARG 215 Ca -0.07 1.11 0.29 0.00 -0.92 0.00 0.00 57.85 58.26 1ukl n ARG 215 Cb 0.11 -1.64 0.56 0.00 0.45 0.00 0.00 32.46 31.94 1ukl n ARG 215 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ukl h HIS 216 N 0.00 0.69 0.02 -0.14 3.86 -1.51 1.18 115.15 119.26 1ukl h HIS 216 Ca 0.08 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1ukl h HIS 216 Cb 0.22 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1ukl h HIS 216 CO -0.84 -0.14 -0.01 0.35 0.86 0.00 0.00 177.93 178.15 1ukl h PHE 217 N 0.23 -0.03 -0.45 2.45 3.57 -1.03 0.27 116.94 121.95 1ukl h PHE 217 Ca 0.74 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.30 1ukl h PHE 217 Cb 2.02 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.72 1ukl h PHE 217 CO -0.01 0.56 0.16 0.82 -2.23 0.00 0.00 178.31 177.61 1ukl h ILE 218 N -0.65 0.85 -0.80 1.41 2.04 0.77 -0.84 117.51 120.30 1ukl h ILE 218 Ca -0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1ukl h ILE 218 Cb 0.60 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1ukl h ILE 218 CO 0.01 0.06 0.43 0.24 0.00 0.00 0.00 178.15 178.88 1ukl h MET 219 N 0.33 1.12 -0.53 2.37 2.86 0.12 -2.39 114.93 118.80 1ukl h MET 219 Ca 0.21 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1ukl h MET 219 Cb 0.21 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1ukl h MET 219 CO -0.22 0.84 -0.03 0.37 1.06 0.00 0.00 176.91 178.93 1ukl h GLN 220 N 1.11 0.93 0.24 1.72 4.15 0.53 -2.13 115.11 121.66 1ukl h GLN 220 Ca 0.28 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1ukl h GLN 220 Cb 0.05 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1ukl h GLN 220 CO -0.04 0.94 -0.11 0.28 -1.93 0.00 0.00 178.83 177.96 1ukl h VAL 221 N 0.85 0.82 -0.83 2.39 2.07 -1.05 -1.31 116.25 119.20 1ukl h VAL 221 Ca 0.15 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1ukl h VAL 221 Cb 0.54 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1ukl h VAL 221 CO 0.03 0.07 0.54 0.58 0.02 0.00 0.00 177.57 178.81 1ukl h VAL 222 N -0.48 0.91 -0.19 2.57 2.07 -1.35 0.25 116.25 120.02 1ukl h VAL 222 Ca -0.03 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1ukl h VAL 222 Cb 0.36 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1ukl h VAL 222 CO 0.05 0.13 -0.35 0.00 0.02 0.00 0.00 177.57 177.42 1ukl h GLU 224 N 0.24 -1.15 -0.82 0.00 5.08 -0.31 -2.12 114.58 115.49 1ukl h GLU 224 Ca 0.01 0.08 0.24 0.00 -1.00 0.00 0.00 59.36 58.69 1ukl h GLU 224 Cb 0.95 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1ukl h GLU 224 CO 0.08 -0.76 1.15 0.00 -1.00 0.00 0.00 179.01 178.48 1ukl n ALA 225 N -2.73 0.79 1.23 3.43 0.00 0.79 0.30 120.51 124.32 1ukl n ALA 225 Ca -0.15 0.27 0.14 0.00 0.00 0.00 0.00 53.44 53.71 1ukl n ALA 225 Cb 0.50 -0.47 0.68 0.00 0.00 0.00 0.00 19.45 20.16 1ukl n ALA 225 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ukl n THR 226 N -3.05 0.00 0.25 0.00 -2.24 -0.80 -3.25 114.28 105.19 1ukl n THR 226 Ca 0.19 -0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 1ukl n THR 226 Cb 1.40 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 69.03 1ukl n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukl n GLN 227 N -1.37 0.49 -1.68 -0.78 1.13 0.87 -4.77 117.38 111.28 1ukl n GLN 227 Ca 0.11 -0.13 -0.49 0.00 -1.94 0.00 0.00 57.00 54.56 1ukl n GLN 227 Cb 0.29 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 1ukl n GLN 227 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukl n PRO 229 N 5.72 0.00 -3.12 0.00 -0.02 -1.26 -4.32 135.00 132.00 1ukl n PRO 229 Ca 0.22 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.25 1ukl n PRO 229 Cb 0.28 -1.39 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 1ukl n PRO 229 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ukl s ASP 230 N -1.95 6.30 0.30 2.55 -1.08 -1.26 -4.92 116.67 116.61 1ukl s ASP 230 Ca 0.00 -1.65 0.09 0.00 -0.52 0.00 0.00 52.55 50.47 1ukl s ASP 230 Cb 0.00 -2.30 0.90 0.00 -1.46 0.00 0.00 42.92 40.06 1ukl s ASP 230 CO 0.00 -1.04 1.41 0.41 0.52 0.00 0.00 175.17 176.46 1ukl n THR 231 N 5.36 -0.38 -0.27 1.71 -1.04 -1.26 0.96 114.28 119.36 1ukl n THR 231 Ca -0.03 1.91 0.06 0.00 -2.04 0.00 0.00 64.05 63.95 1ukl n THR 231 Cb 0.44 -2.91 0.20 0.00 -1.82 0.00 0.00 70.33 66.24 1ukl n THR 231 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1ukl h ARG 232 N 0.00 0.45 0.46 -2.82 3.08 -1.93 0.10 114.38 113.73 1ukl h ARG 232 Ca 0.63 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.63 1ukl h ARG 232 Cb 1.49 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1ukl h ARG 232 CO -0.78 0.30 -0.22 0.28 -1.07 0.00 0.00 179.97 178.48 1ukl h VAL 233 N 0.46 0.15 -0.66 2.04 2.07 0.25 -2.90 116.25 117.66 1ukl h VAL 233 Ca 0.43 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1ukl h VAL 233 Cb 0.67 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.57 1ukl h VAL 233 CO -0.41 0.03 -0.29 -1.14 0.02 0.00 0.00 177.57 175.78 1ukl n ARG 234 N -5.19 -0.19 0.33 1.57 0.00 -0.45 -0.38 116.66 112.34 1ukl n ARG 234 Ca -0.09 1.00 -0.13 0.00 -0.00 0.00 0.00 57.85 58.64 1ukl n ARG 234 Cb 0.27 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.18 1ukl n ARG 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ukl h VAL 235 N 0.00 0.00 -0.95 5.15 2.07 -0.89 0.01 116.25 121.64 1ukl h VAL 235 Ca 0.19 -0.01 0.28 0.00 0.82 0.00 0.00 66.70 67.98 1ukl h VAL 235 Cb 0.36 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1ukl h VAL 235 CO -0.64 0.00 0.82 0.00 0.02 0.00 0.00 177.57 177.76 1ukl h ALA 236 N -1.61 2.82 0.04 1.67 0.00 -0.96 0.85 119.26 122.06 1ukl h ALA 236 Ca -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ukl h ALA 236 Cb 0.64 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ukl h ALA 236 CO 0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 179.25 178.07 1ukl h ALA 237 N 1.26 -0.05 -0.18 0.00 0.00 -0.35 -2.72 119.26 117.23 1ukl h ALA 237 Ca 0.45 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ukl h ALA 237 Cb 2.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1ukl h ALA 237 CO -0.00 -0.14 0.14 -0.07 0.00 0.00 0.00 179.25 179.18 1ukl h LEU 238 N -0.83 0.00 -1.17 0.00 3.38 0.24 0.32 115.31 117.25 1ukl h LEU 238 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ukl h LEU 238 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1ukl h LEU 238 CO 0.01 0.00 -0.14 1.56 0.09 0.00 0.00 178.44 179.96 1ukl h GLN 239 N 0.00 0.40 -0.09 1.13 4.20 0.29 -1.93 115.11 119.12 1ukl h GLN 239 Ca 0.08 -0.11 -0.21 0.00 0.06 0.00 0.00 58.65 58.47 1ukl h GLN 239 Cb 0.36 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1ukl h GLN 239 CO -0.00 0.55 -0.81 -0.91 -0.67 0.00 0.00 178.83 176.98 1ukl h ASN 240 N 0.38 0.70 -0.74 1.46 4.21 -0.06 -2.67 115.58 118.86 1ukl h ASN 240 Ca 0.07 -0.48 -0.06 0.00 1.21 0.00 0.00 56.30 57.04 1ukl h ASN 240 Cb 0.48 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.44 1ukl h ASN 240 CO 0.03 1.26 0.24 -0.07 -1.29 0.00 0.00 177.43 177.60 1ukl h LEU 241 N 0.38 1.07 -1.04 1.61 3.38 -1.09 -0.45 115.31 119.16 1ukl h LEU 241 Ca -0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ukl h LEU 241 Cb 1.42 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1ukl h LEU 241 CO 0.15 0.98 0.57 0.58 0.09 0.00 0.00 178.44 180.81 1ukl h VAL 242 N 1.10 1.24 0.01 1.22 2.07 -1.26 0.11 116.25 120.75 1ukl h VAL 242 Ca 0.24 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1ukl h VAL 242 Cb 0.29 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1ukl h VAL 242 CO -0.01 0.25 -0.48 0.50 0.02 0.00 0.00 177.57 177.85 1ukl h LYS 243 N 1.25 0.30 -0.82 1.57 3.64 -1.21 -3.12 116.57 118.18 1ukl h LYS 243 Ca 0.33 -0.34 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1ukl h LYS 243 Cb -0.08 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 1ukl h LYS 243 CO -0.06 1.05 0.48 0.82 -2.27 0.00 0.00 179.45 179.47 1ukl h ILE 244 N -0.30 0.96 0.00 2.00 2.04 -0.95 0.11 117.51 121.38 1ukl h ILE 244 Ca -0.06 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1ukl h ILE 244 Cb 1.23 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1ukl h ILE 244 CO 0.09 0.15 -0.05 -0.03 0.00 0.00 0.00 178.15 178.32 1ukl h MET 245 N 0.85 0.00 -0.36 2.37 4.05 -0.81 0.18 114.93 121.20 1ukl h MET 245 Ca 0.38 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 1ukl h MET 245 Cb 0.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1ukl h MET 245 CO -0.21 0.05 0.00 -1.13 0.23 0.00 0.00 176.91 175.85 1ukl n SER 246 N -3.55 3.29 0.00 1.39 3.41 0.33 -3.76 113.62 114.72 1ukl n SER 246 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1ukl n SER 246 Cb 0.16 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1ukl n SER 246 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ukl n LEU 247 N 1.38 0.00 -2.57 1.04 4.77 -0.52 -4.85 117.00 116.26 1ukl n LEU 247 Ca 0.19 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1ukl n LEU 247 Cb 0.58 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1ukl n LEU 247 CO 0.16 0.00 0.03 -1.22 -1.33 0.00 0.00 177.39 175.03 1ukl n TYR 248 N -1.33 1.85 -0.14 -1.77 4.01 0.51 -4.87 117.16 115.42 1ukl n TYR 248 Ca 0.00 -2.44 0.21 0.00 -0.16 0.00 0.00 57.90 55.51 1ukl n TYR 248 Cb 0.19 -0.27 0.62 0.00 -0.31 0.00 0.00 39.34 39.57 1ukl n TYR 248 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1ukl h TYR 249 N 2.60 0.23 -0.69 -0.72 5.03 -1.72 -1.02 116.97 120.68 1ukl h TYR 249 Ca 0.04 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1ukl h TYR 249 Cb 1.26 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 39.44 1ukl h TYR 249 CO 0.62 0.07 0.35 -0.56 -1.32 0.00 0.00 178.16 177.32 1ukl h GLN 250 N 0.18 0.96 -0.97 1.82 3.07 -1.92 -2.75 115.11 115.51 1ukl h GLN 250 Ca 0.37 -0.12 -0.44 0.00 0.09 0.00 0.00 58.65 58.56 1ukl h GLN 250 Cb 1.21 -0.19 -0.26 0.00 0.08 0.00 0.00 27.48 28.32 1ukl h GLN 250 CO -0.07 0.73 0.56 0.66 0.09 0.00 0.00 178.83 180.80 1ukl n TYR 251 N -4.35 2.77 0.88 0.06 4.01 -0.39 -4.27 117.16 115.86 1ukl n TYR 251 Ca 0.07 -1.66 0.09 0.00 -0.16 0.00 0.00 57.90 56.24 1ukl n TYR 251 Cb 0.12 -0.86 -0.06 0.00 -0.31 0.00 0.00 39.34 38.22 1ukl n TYR 251 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1ukl n MET 252 N -0.89 1.09 -0.34 -0.72 2.81 -1.04 -4.44 117.12 113.60 1ukl n MET 252 Ca 0.53 -0.41 0.20 0.00 -1.81 0.00 0.00 57.70 56.21 1ukl n MET 252 Cb 1.55 -1.39 0.45 0.00 -0.71 0.00 0.00 33.22 33.12 1ukl n MET 252 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1ukl h GLU 253 N 0.97 0.47 0.41 0.03 4.57 -1.77 -2.41 114.58 116.85 1ukl h GLU 253 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1ukl h GLU 253 Cb 0.54 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1ukl h GLU 253 CO 0.00 0.31 -0.20 1.15 -1.18 0.00 0.00 179.01 179.10 1ukl h THR 254 N 0.49 0.38 -0.18 0.32 2.02 -1.93 -3.35 112.91 110.66 1ukl h THR 254 Ca 0.63 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1ukl h THR 254 Cb 1.38 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1ukl h THR 254 CO -0.39 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.35 1ukl n TYR 255 N -5.17 0.24 0.16 3.16 4.02 -1.16 -4.37 117.16 114.04 1ukl n TYR 255 Ca -0.09 -0.12 -0.06 0.00 -0.01 0.00 0.00 57.90 57.61 1ukl n TYR 255 Cb 0.28 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 1ukl n TYR 255 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1ukl h MET 256 N 2.06 -0.41 -0.33 -0.72 4.05 -1.56 -0.12 114.93 117.90 1ukl h MET 256 Ca 0.00 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1ukl h MET 256 Cb 0.45 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1ukl h MET 256 CO 0.00 -0.27 0.19 0.78 0.23 0.00 0.00 176.91 177.83 1ukl h GLY 257 N -0.64 0.48 0.18 1.39 0.00 -1.79 -0.86 103.07 101.83 1ukl h GLY 257 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1ukl h GLY 257 CO 0.07 0.20 0.00 -1.55 0.00 0.00 0.00 176.54 175.27 1ukl n PRO 258 N -4.80 1.26 0.00 4.80 -0.04 -1.26 -4.74 135.00 130.21 1ukl n PRO 258 Ca -0.01 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1ukl n PRO 258 Cb 0.07 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1ukl n PRO 258 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ukl n ALA 259 N -0.44 0.63 -0.42 0.55 0.00 -1.02 -4.95 120.51 114.87 1ukl n ALA 259 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1ukl n ALA 259 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 1ukl n ALA 259 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ukl n LEU 260 N -1.64 -1.06 -0.32 0.00 4.77 -0.09 -0.65 117.00 118.01 1ukl n LEU 260 Ca 0.00 1.78 0.00 0.00 -0.03 0.00 0.00 56.01 57.76 1ukl n LEU 260 Cb 0.00 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1ukl n LEU 260 CO 0.00 -1.45 0.63 0.15 -1.33 0.00 0.00 177.39 175.39 1ukl h PHE 261 N 0.00 -0.83 -0.29 -1.77 3.57 -1.39 -0.45 116.94 115.78 1ukl h PHE 261 Ca 0.16 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1ukl h PHE 261 Cb 0.41 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1ukl h PHE 261 CO -1.03 -0.39 -0.04 0.00 -2.23 0.00 0.00 178.31 174.62 1ukl h ALA 262 N 1.51 0.40 -0.03 2.41 0.00 -1.12 -2.32 119.26 120.10 1ukl h ALA 262 Ca 0.36 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ukl h ALA 262 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ukl h ALA 262 CO -0.91 0.19 -0.12 0.82 0.00 0.00 0.00 179.25 179.23 1ukl h ILE 263 N 0.32 0.70 -0.39 0.00 2.04 0.36 -2.64 117.51 117.90 1ukl h ILE 263 Ca 0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1ukl h ILE 263 Cb 0.50 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1ukl h ILE 263 CO 0.02 0.00 0.01 0.71 0.00 0.00 0.00 178.15 178.89 1ukl h THR 264 N -0.19 1.26 -0.22 -0.27 1.35 -1.19 -2.37 112.91 111.28 1ukl h THR 264 Ca 0.05 -0.99 0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1ukl h THR 264 Cb 0.26 1.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 1ukl h THR 264 CO -0.14 0.33 0.03 0.40 -0.25 0.00 0.00 175.52 175.89 1ukl h ILE 265 N 0.50 0.88 -0.58 6.82 1.08 -1.38 0.21 117.51 125.05 1ukl h ILE 265 Ca 0.11 -0.04 0.08 0.00 -0.39 0.00 0.00 64.86 64.62 1ukl h ILE 265 Cb 0.46 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 1ukl h ILE 265 CO 0.02 0.02 0.24 -0.08 -0.69 0.00 0.00 178.15 177.66 1ukl h GLU 266 N 0.11 0.42 -0.43 2.37 4.81 -1.43 -1.29 114.58 119.14 1ukl h GLU 266 Ca 0.10 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1ukl h GLU 266 Cb 0.11 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 1ukl h GLU 266 CO -0.15 0.28 -0.02 0.00 -0.73 0.00 0.00 179.01 178.39 1ukl h ALA 267 N 1.38 0.38 -0.45 2.92 0.00 -0.64 0.70 119.26 123.54 1ukl h ALA 267 Ca 0.28 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.40 1ukl h ALA 267 Cb 0.30 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ukl h ALA 267 CO -0.26 -0.41 0.31 0.52 0.00 0.00 0.00 179.25 179.41 1ukl h MET 268 N 0.08 0.30 0.06 0.00 2.86 0.51 -1.70 114.93 117.04 1ukl h MET 268 Ca 0.21 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.59 1ukl h MET 268 Cb 0.32 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1ukl h MET 268 CO -0.38 0.20 -1.07 0.87 1.06 0.00 0.00 176.91 177.59 1ukl h LYS 269 N 0.31 0.28 -3.64 1.72 1.57 -0.38 -3.44 116.57 112.98 1ukl h LYS 269 Ca 0.20 -0.39 -0.44 0.00 -1.87 0.00 0.00 60.65 58.16 1ukl h LYS 269 Cb 0.41 0.13 0.05 0.00 0.08 0.00 0.00 32.23 32.90 1ukl h LYS 269 CO -0.04 1.12 -0.15 0.45 -0.57 0.00 0.00 179.45 180.26 1ukl n SER 270 N -3.61 -0.40 -0.01 0.86 2.88 -0.01 -4.76 113.62 108.56 1ukl n SER 270 Ca -0.07 0.69 0.16 0.00 -1.33 0.00 0.00 58.87 58.32 1ukl n SER 270 Cb 0.92 -0.57 0.92 0.00 -0.75 0.00 0.00 64.21 64.73 1ukl n SER 270 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ukl n ASP 271 N 1.07 0.03 -4.45 -3.46 5.75 -1.26 -4.55 116.55 109.68 1ukl n ASP 271 Ca 0.11 -1.03 -0.43 0.00 -0.01 0.00 0.00 54.79 53.43 1ukl n ASP 271 Cb 0.10 -0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.10 1ukl n ASP 271 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ukl s ILE 272 N -2.00 5.18 0.13 2.12 1.01 -1.26 -5.00 121.20 121.38 1ukl s ILE 272 Ca 0.47 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1ukl s ILE 272 Cb 0.21 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 1ukl s ILE 272 CO 0.36 -0.44 1.51 0.44 0.00 0.00 0.00 174.94 176.81 1ukl h ASP 273 N 8.71 -1.81 -1.25 3.58 5.19 -1.98 0.64 116.42 129.50 1ukl h ASP 273 Ca -0.27 0.25 0.36 0.00 -0.62 0.00 0.00 57.03 56.75 1ukl h ASP 273 Cb 1.11 0.76 -0.05 0.00 0.18 0.00 0.00 39.33 41.33 1ukl h ASP 273 CO 0.80 -0.34 0.92 -0.08 -3.12 0.00 0.00 179.24 177.43 1ukl h GLU 274 N -0.28 0.00 0.03 3.56 4.57 -1.97 -0.14 114.58 120.35 1ukl h GLU 274 Ca 0.09 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ukl h GLU 274 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1ukl h GLU 274 CO -0.64 0.00 -0.02 0.28 -1.18 0.00 0.00 179.01 177.46 1ukl h VAL 275 N 0.00 0.00 -0.26 0.32 2.07 -1.26 -3.33 116.25 113.79 1ukl h VAL 275 Ca 0.59 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1ukl h VAL 275 Cb 2.43 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1ukl h VAL 275 CO -0.01 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.77 1ukl h ALA 276 N -1.20 2.23 -0.47 1.67 0.00 -0.81 -0.37 119.26 120.31 1ukl h ALA 276 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ukl h ALA 276 Cb 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ukl h ALA 276 CO 0.01 -0.30 0.26 -0.07 0.00 0.00 0.00 179.25 179.14 1ukl h LEU 277 N 0.01 0.57 -0.52 0.00 3.38 -1.18 -0.88 115.31 116.69 1ukl h LEU 277 Ca 0.12 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1ukl h LEU 277 Cb 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1ukl h LEU 277 CO -0.00 0.46 -0.71 1.56 0.09 0.00 0.00 178.44 179.83 1ukl h GLN 278 N 0.65 0.18 0.53 1.13 1.08 -1.18 -1.22 115.11 116.27 1ukl h GLN 278 Ca 0.17 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1ukl h GLN 278 Cb 0.01 0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1ukl h GLN 278 CO -0.03 0.82 -0.25 0.78 -0.95 0.00 0.00 178.83 179.20 1ukl h GLY 279 N 1.71 -0.74 0.62 3.46 0.00 -0.92 0.62 103.07 107.82 1ukl h GLY 279 Ca -0.02 0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.67 1ukl h GLY 279 CO 0.11 -0.27 0.64 -2.22 0.00 0.00 0.00 176.54 174.80 1ukl h ILE 280 N -0.88 1.02 -0.61 2.60 2.04 -1.23 -1.47 117.51 118.97 1ukl h ILE 280 Ca -0.07 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1ukl h ILE 280 Cb 0.61 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1ukl h ILE 280 CO 0.12 0.20 0.27 -0.08 0.00 0.00 0.00 178.15 178.66 1ukl h GLU 281 N 1.10 0.90 -0.43 2.37 4.57 -1.02 -1.97 114.58 120.10 1ukl h GLU 281 Ca 0.46 -0.15 0.07 0.00 -1.18 0.00 0.00 59.36 58.56 1ukl h GLU 281 Cb 0.30 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 1ukl h GLU 281 CO -0.21 0.75 0.05 0.35 -1.18 0.00 0.00 179.01 178.76 1ukl h PHE 282 N 0.85 0.07 0.00 0.92 3.57 0.23 -1.26 116.94 121.31 1ukl h PHE 282 Ca 0.21 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 1ukl h PHE 282 Cb 0.16 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1ukl h PHE 282 CO 0.01 -0.03 -0.33 -1.49 -2.23 0.00 0.00 178.31 174.23 1ukl h TRP 283 N 0.17 0.00 -0.08 0.41 4.06 -1.38 -2.28 115.95 116.85 1ukl h TRP 283 Ca 0.21 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.05 1ukl h TRP 283 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1ukl h TRP 283 CO -0.24 0.33 -0.45 0.77 -3.56 0.00 0.00 178.44 175.30 1ukl h SER 284 N 0.00 0.20 0.78 -3.49 0.02 -0.61 -1.37 113.55 109.08 1ukl h SER 284 Ca -0.00 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1ukl h SER 284 Cb 0.94 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1ukl h SER 284 CO 0.04 0.62 -0.58 0.78 -1.14 0.00 0.00 176.83 176.55 1ukl h ASN 285 N 0.16 0.00 0.31 3.07 4.21 -0.92 -1.91 115.58 120.50 1ukl h ASN 285 Ca 0.01 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1ukl h ASN 285 Cb 0.85 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 1ukl h ASN 285 CO 0.07 0.58 -0.15 0.58 -1.29 0.00 0.00 177.43 177.22 1ukl h VAL 286 N 0.00 0.71 -0.87 2.81 2.07 -0.81 -2.28 116.25 117.88 1ukl h VAL 286 Ca -0.01 -0.47 0.22 0.00 0.82 0.00 0.00 66.70 67.26 1ukl h VAL 286 Cb 1.13 0.95 -0.13 0.00 -1.52 0.00 0.00 31.29 31.72 1ukl h VAL 286 CO 0.08 0.09 0.31 0.00 0.02 0.00 0.00 177.57 178.07 1ukl h ASP 288 N 0.31 -0.48 -1.00 0.00 3.32 -1.23 -0.22 116.42 117.12 1ukl h ASP 288 Ca 0.55 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.60 1ukl h ASP 288 Cb 1.07 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 1ukl h ASP 288 CO -0.58 -0.20 0.64 -0.33 -1.72 0.00 0.00 179.24 177.05 1ukl h GLU 289 N -0.75 1.08 -0.15 3.56 4.39 -0.72 -1.35 114.58 120.64 1ukl h GLU 289 Ca -0.06 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.40 1ukl h GLU 289 Cb 0.52 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1ukl h GLU 289 CO 0.09 0.71 -0.66 0.93 -1.16 0.00 0.00 179.01 178.93 1ukl h GLU 290 N 1.11 0.57 -0.60 2.33 5.08 -0.58 -1.14 114.58 121.35 1ukl h GLU 290 Ca 0.46 -0.41 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1ukl h GLU 290 Cb 0.28 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ukl h GLU 290 CO -0.21 1.03 -0.02 0.52 -1.00 0.00 0.00 179.01 179.34 1ukl h MET 291 N 0.41 1.07 -0.62 2.33 2.86 -0.56 -0.73 114.93 119.70 1ukl h MET 291 Ca -0.02 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.18 1ukl h MET 291 Cb 1.23 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 1ukl h MET 291 CO 0.12 1.06 0.04 0.22 1.06 0.00 0.00 176.91 179.41 1ukl h ASP 292 N 0.97 1.03 0.19 1.22 1.82 -1.15 -2.24 116.42 118.27 1ukl h ASP 292 Ca 0.17 -0.29 -0.03 0.00 -0.39 0.00 0.00 57.03 56.49 1ukl h ASP 292 Cb 0.59 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 1ukl h ASP 292 CO 0.03 1.06 -0.16 -0.07 -1.61 0.00 0.00 179.24 178.50 1ukl h LEU 293 N 0.97 0.00 -1.74 2.28 3.38 -0.87 -1.63 115.31 117.70 1ukl h LEU 293 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1ukl h LEU 293 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ukl h LEU 293 CO 0.02 0.16 -0.17 0.00 0.09 0.00 0.00 178.44 178.55 1ukl h ALA 294 N 1.84 1.35 0.01 1.53 0.00 -0.51 -1.38 119.26 122.10 1ukl h ALA 294 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ukl h ALA 294 Cb 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ukl h ALA 294 CO 0.02 0.21 -0.29 0.82 0.00 0.00 0.00 179.25 180.00 1ukl h ILE 295 N 0.00 1.57 -0.63 0.00 2.04 -1.20 -3.08 117.51 116.20 1ukl h ILE 295 Ca -0.00 -2.06 0.13 0.00 1.00 0.00 0.00 64.86 63.93 1ukl h ILE 295 Cb 0.39 2.87 -0.11 0.00 -0.74 0.00 0.00 36.82 39.23 1ukl h ILE 295 CO 0.02 0.56 -0.07 -0.08 0.00 0.00 0.00 178.15 178.59 1ukl h GLU 296 N -0.52 0.06 -0.56 2.37 4.57 -1.28 0.12 114.58 119.33 1ukl h GLU 296 Ca -0.04 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1ukl h GLU 296 Cb 1.08 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 1ukl h GLU 296 CO 0.06 0.04 0.31 0.00 -1.18 0.00 0.00 179.01 178.24 1ukl h ALA 297 N 1.60 0.73 -0.43 2.92 0.00 -1.31 0.25 119.26 123.03 1ukl h ALA 297 Ca 0.32 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1ukl h ALA 297 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ukl h ALA 297 CO -0.59 -0.01 0.11 0.77 0.00 0.00 0.00 179.25 179.53 1ukl h SER 298 N 0.60 0.64 0.12 0.00 0.02 -1.07 -0.48 113.55 113.39 1ukl h SER 298 Ca 0.24 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ukl h SER 298 Cb 0.11 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ukl h SER 298 CO -0.14 0.70 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.86 1ukl h GLU 299 N 0.55 -0.16 -0.99 3.45 4.39 -0.59 -3.05 114.58 118.19 1ukl h GLU 299 Ca 0.14 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.91 1ukl h GLU 299 Cb 0.30 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 1ukl h GLU 299 CO -0.00 0.25 0.64 0.00 -1.16 0.00 0.00 179.01 178.74 1ukl h ALA 300 N 0.17 1.36 -0.17 3.43 0.00 -0.50 -2.40 119.26 121.17 1ukl h ALA 300 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ukl h ALA 300 Cb 0.48 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ukl h ALA 300 CO 0.03 0.45 -0.09 0.00 0.00 0.00 0.00 179.25 179.64 1ukl h ALA 301 N 1.44 0.05 -0.84 0.00 0.00 -1.08 -1.14 119.26 117.70 1ukl h ALA 301 Ca 0.42 0.07 -0.76 0.00 0.00 0.00 0.00 54.91 54.64 1ukl h ALA 301 Cb 0.14 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 17.96 1ukl h ALA 301 CO -0.16 -0.52 2.00 -1.91 0.00 0.00 0.00 179.25 178.65 1ukl n GLU 302 N -5.23 4.82 -0.02 0.00 4.07 -0.91 -2.78 120.64 120.59 1ukl n GLU 302 Ca -0.03 -3.82 0.00 0.00 -0.06 0.00 0.00 57.16 53.25 1ukl n GLU 302 Cb 0.16 -2.59 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 1ukl n GLU 302 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1ukl n GLN 303 N 1.26 0.00 -3.86 5.31 6.02 -0.47 -4.98 117.38 120.66 1ukl n GLN 303 Ca 0.57 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 57.28 1ukl n GLN 303 Cb 0.25 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.52 1ukl n GLN 303 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ukl n GLY 304 N 0.00 -0.58 3.31 1.08 0.00 -0.96 -4.91 105.19 103.14 1ukl n GLY 304 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ukl n GLY 304 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ukl s ARG 305 N -6.15 0.86 0.51 1.61 1.70 -1.13 -5.09 118.95 111.26 1ukl s ARG 305 Ca 0.26 -0.28 -0.17 0.00 -0.47 0.00 0.00 55.73 55.07 1ukl s ARG 305 Cb -0.15 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.54 1ukl s ARG 305 CO 0.62 -0.28 0.99 -1.25 -1.08 0.00 0.00 175.30 174.30 1ukl s PRO 306 N -2.09 3.90 0.29 3.89 0.04 -1.26 -4.38 135.00 135.39 1ukl s PRO 306 Ca -0.08 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 1ukl s PRO 306 Cb -0.02 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 1ukl s PRO 306 CO 0.00 -0.31 1.47 -1.25 0.04 0.00 0.00 177.00 176.95 1ukl s PRO 307 N -3.90 4.22 0.47 0.56 0.04 -1.26 -4.86 135.00 130.26 1ukl s PRO 307 Ca 0.60 2.40 0.19 0.00 0.04 0.00 0.00 61.00 64.24 1ukl s PRO 307 Cb -0.11 -3.06 1.18 0.00 0.04 0.00 0.00 34.50 32.55 1ukl s PRO 307 CO 0.29 -0.46 1.96 0.93 0.04 0.00 0.00 177.00 179.76 1ukl h GLU 308 N 4.44 0.25 -3.22 4.56 5.08 -1.93 -3.41 114.58 120.33 1ukl h GLU 308 Ca -0.47 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 57.75 1ukl h GLU 308 Cb 1.22 -0.06 -0.20 0.00 0.50 0.00 0.00 28.75 30.22 1ukl h GLU 308 CO 0.74 0.17 -0.34 -1.01 -1.00 0.00 0.00 179.01 177.57 1ukl s HIS 309 N -5.26 -0.10 0.18 4.33 3.76 -1.26 -5.17 115.29 111.78 1ukl s HIS 309 Ca -0.07 0.09 0.10 0.00 -0.15 0.00 0.00 55.06 55.03 1ukl s HIS 309 Cb 0.20 0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.90 1ukl s HIS 309 CO 0.75 -0.38 -0.22 0.95 -0.85 0.00 0.00 174.74 175.00 1ukl s THR 310 N -1.55 2.13 -0.11 1.30 -4.23 -1.26 -4.83 115.64 107.09 1ukl s THR 310 Ca -0.12 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.21 1ukl s THR 310 Cb -0.05 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1ukl s THR 310 CO 0.02 -0.20 0.48 -0.55 -0.54 0.00 0.00 174.62 173.83 1ukl s SER 311 N -2.68 6.70 0.00 3.99 0.15 -1.26 -4.93 113.70 115.66 1ukl s SER 311 Ca 0.19 0.83 0.10 0.00 0.70 0.00 0.00 55.95 57.77 1ukl s SER 311 Cb -0.07 -2.29 0.38 0.00 -1.71 0.00 0.00 66.02 62.33 1ukl s SER 311 CO 0.09 0.01 1.28 0.29 1.20 0.00 0.00 173.24 176.11 1ukl n LYS 312 N 3.61 1.50 -4.02 5.44 4.76 -1.26 -4.93 118.16 123.26 1ukl n LYS 312 Ca -0.07 -0.77 -0.30 0.00 -2.87 0.00 0.00 58.31 54.30 1ukl n LYS 312 Cb 0.52 -1.22 -0.01 0.00 -1.84 0.00 0.00 35.03 32.47 1ukl n LYS 312 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ukl n PHE 313 N 0.09 -1.83 0.18 2.13 3.01 -1.26 -4.91 117.46 114.87 1ukl n PHE 313 Ca 0.10 0.80 -0.14 0.00 1.01 0.00 0.00 57.45 59.21 1ukl n PHE 313 Cb 0.20 -3.56 -0.08 0.00 -0.01 0.00 0.00 39.48 36.03 1ukl n PHE 313 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 1ukl h TYR 314 N -1.77 -0.39 -0.52 1.38 0.05 -1.97 -2.32 116.97 111.43 1ukl h TYR 314 Ca -0.61 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.27 1ukl h TYR 314 Cb 1.38 0.13 -0.10 0.00 1.01 0.00 0.00 36.73 39.14 1ukl h TYR 314 CO 0.55 -0.24 -0.21 0.00 -1.05 0.00 0.00 178.16 177.21 1ukl h ALA 315 N 0.31 0.18 -1.00 3.88 0.00 -1.92 0.29 119.26 121.00 1ukl h ALA 315 Ca -0.04 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ukl h ALA 315 Cb 0.32 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1ukl h ALA 315 CO 0.06 -0.54 0.66 -0.22 0.00 0.00 0.00 179.25 179.20 1ukl h LYS 316 N -0.09 1.25 0.00 0.00 3.64 -1.95 -2.68 116.57 116.74 1ukl h LYS 316 Ca 0.24 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1ukl h LYS 316 Cb 0.47 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1ukl h LYS 316 CO -0.58 0.83 -0.20 0.78 -2.27 0.00 0.00 179.45 178.01 1ukl h GLY 317 N 1.29 0.00 -2.57 5.01 0.00 0.09 -2.99 103.07 103.90 1ukl h GLY 317 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ukl h GLY 317 CO -0.11 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.43 1ukl n ALA 318 N -2.42 2.74 -0.12 3.60 0.00 -0.35 -4.61 120.51 119.35 1ukl n ALA 318 Ca -0.02 -1.50 -0.05 0.00 0.00 0.00 0.00 53.44 51.87 1ukl n ALA 318 Cb 0.28 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.87 1ukl n ALA 318 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ukl h LEU 319 N 3.65 -0.49 -2.15 0.00 5.85 -1.39 0.60 115.31 121.38 1ukl h LEU 319 Ca 0.00 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ukl h LEU 319 Cb 1.22 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1ukl h LEU 319 CO 0.13 -0.17 0.02 0.06 -0.34 0.00 0.00 178.44 178.14 1ukl h GLN 320 N -0.05 0.00 0.12 1.25 3.07 -1.84 -0.32 115.11 117.33 1ukl h GLN 320 Ca 0.20 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.59 1ukl h GLN 320 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 1ukl h GLN 320 CO -0.45 0.00 -1.87 1.88 0.09 0.00 0.00 178.83 178.48 1ukl h TYR 321 N 0.00 0.46 0.49 0.06 -1.99 -1.38 -3.40 116.97 111.20 1ukl h TYR 321 Ca 0.01 -0.33 -0.02 0.00 2.00 0.00 0.00 58.73 60.39 1ukl h TYR 321 Cb 0.06 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1ukl h TYR 321 CO 0.00 1.62 -0.23 -0.07 -0.00 0.00 0.00 178.16 179.48 1ukl h LEU 322 N 0.07 -0.56 -0.70 3.88 3.38 0.64 -3.33 115.31 118.70 1ukl h LEU 322 Ca -0.37 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 57.70 1ukl h LEU 322 Cb 2.04 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 42.81 1ukl h LEU 322 CO 0.11 -0.15 -0.08 0.58 0.09 0.00 0.00 178.44 178.99 1ukl h VAL 323 N -1.09 0.35 -0.62 1.22 2.07 -1.30 -1.14 116.25 115.74 1ukl h VAL 323 Ca -0.07 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1ukl h VAL 323 Cb 0.57 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1ukl h VAL 323 CO 0.11 0.01 0.39 1.55 0.02 0.00 0.00 177.57 179.65 1ukl h PRO 324 N 0.05 0.74 -0.51 1.57 0.13 -1.78 -0.38 132.00 131.83 1ukl h PRO 324 Ca 0.36 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.42 1ukl h PRO 324 Cb 0.60 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1ukl h PRO 324 CO -0.67 0.49 0.22 0.82 -0.23 0.00 0.00 178.00 178.63 1ukl h ILE 325 N 0.76 1.20 0.66 -3.56 2.04 -1.46 -2.38 117.51 114.78 1ukl h ILE 325 Ca 0.25 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1ukl h ILE 325 Cb 0.01 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1ukl h ILE 325 CO -0.10 0.23 -0.32 -0.07 0.00 0.00 0.00 178.15 177.90 1ukl h LEU 326 N 0.67 -0.76 -1.97 1.44 3.38 -0.97 -2.01 115.31 115.09 1ukl h LEU 326 Ca 0.17 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1ukl h LEU 326 Cb 0.16 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ukl h LEU 326 CO -0.02 -0.38 0.41 0.71 0.09 0.00 0.00 178.44 179.24 1ukl h THR 327 N -1.18 0.25 0.06 0.22 1.35 -1.12 0.50 112.91 112.98 1ukl h THR 327 Ca -0.09 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.51 1ukl h THR 327 Cb 0.71 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1ukl h THR 327 CO 0.15 0.00 -1.30 -0.61 -0.25 0.00 0.00 175.52 173.51 1ukl h GLN 328 N 0.00 0.12 -0.03 4.72 5.75 -1.33 -3.26 115.11 121.08 1ukl h GLN 328 Ca 0.13 -0.20 -0.12 0.00 -0.15 0.00 0.00 58.65 58.31 1ukl h GLN 328 Cb 0.94 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 1ukl h GLN 328 CO -0.00 0.99 -0.54 1.15 -2.65 0.00 0.00 178.83 177.78 1ukl h THR 329 N 0.03 1.38 0.00 2.39 2.02 0.71 -1.92 112.91 117.52 1ukl h THR 329 Ca -0.14 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1ukl h THR 329 Cb 1.91 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 70.29 1ukl h THR 329 CO 0.14 0.53 0.00 0.18 0.37 0.00 0.00 175.52 176.75 1ukl n LEU 330 N -3.90 0.49 0.05 2.58 4.77 -0.36 -1.15 117.00 119.48 1ukl n LEU 330 Ca -0.02 0.71 -0.07 0.00 -0.03 0.00 0.00 56.01 56.61 1ukl n LEU 330 Cb 0.56 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 1ukl n LEU 330 CO 0.42 -0.83 0.06 0.74 -1.33 0.00 0.00 177.39 176.44 1ukl h THR 331 N 0.00 1.56 0.00 -5.08 2.02 -1.47 -3.36 112.91 106.58 1ukl h THR 331 Ca 0.00 -3.28 -0.49 0.00 0.77 0.00 0.00 66.41 63.41 1ukl h THR 331 Cb 0.05 2.77 0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1ukl h THR 331 CO 0.00 0.89 2.89 0.29 0.37 0.00 0.00 175.52 179.96 1ukl n LYS 332 N -3.30 2.80 -1.20 6.66 4.76 -0.30 -4.89 118.16 122.69 1ukl n LYS 332 Ca -0.02 -1.73 -0.30 0.00 -2.87 0.00 0.00 58.31 53.38 1ukl n LYS 332 Cb 0.95 -2.55 0.23 0.00 -1.84 0.00 0.00 35.03 31.81 1ukl n LYS 332 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1ukl s GLN 333 N 2.59 -0.91 -0.38 1.97 1.11 -1.26 -4.51 119.66 118.27 1ukl s GLN 333 Ca 0.55 -0.09 0.02 0.00 0.01 0.00 0.00 55.36 55.85 1ukl s GLN 333 Cb 0.16 -1.63 0.16 0.00 -1.01 0.00 0.00 33.01 30.68 1ukl s GLN 333 CO -0.04 -3.50 0.29 0.34 0.01 0.00 0.00 175.29 172.38 1ukl s ASP 334 N -4.01 2.08 0.21 5.90 2.15 -1.26 -5.00 116.67 116.73 1ukl s ASP 334 Ca 0.71 -2.54 0.04 0.00 0.43 0.00 0.00 52.55 51.19 1ukl s ASP 334 Cb -0.09 -0.31 0.58 0.00 -0.30 0.00 0.00 42.92 42.79 1ukl s ASP 334 CO 0.56 -0.24 1.02 -0.62 -0.17 0.00 0.00 175.17 175.71 1ukl n GLU 335 N 3.50 -0.05 -2.47 4.34 4.71 -1.26 -2.49 120.64 126.92 1ukl n GLU 335 Ca 0.20 0.95 -0.39 0.00 -0.01 0.00 0.00 57.16 57.91 1ukl n GLU 335 Cb 0.43 -1.56 -0.02 0.00 -1.01 0.00 0.00 31.44 29.28 1ukl n GLU 335 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1ukl s ASN 336 N -4.94 6.37 -0.42 1.62 3.84 -1.26 -4.84 114.94 115.30 1ukl s ASN 336 Ca -0.08 -1.79 0.04 0.00 0.21 0.00 0.00 52.86 51.25 1ukl s ASN 336 Cb 0.20 -2.57 0.17 0.00 -0.55 0.00 0.00 41.25 38.49 1ukl s ASN 336 CO 0.51 -1.64 0.45 -0.62 -2.79 0.00 0.00 177.10 173.00 1ukl s ASP 337 N 5.12 0.62 -0.11 -4.21 2.15 -1.04 -4.79 116.67 114.41 1ukl s ASP 337 Ca 0.54 -2.22 0.16 0.00 0.43 0.00 0.00 52.55 51.45 1ukl s ASP 337 Cb 0.01 0.50 0.27 0.00 -0.30 0.00 0.00 42.92 43.39 1ukl s ASP 337 CO 0.00 -0.17 1.16 -0.67 -0.17 0.00 0.00 175.17 175.32 1ukl n ASP 338 N 3.35 2.46 -4.82 -0.34 4.64 -1.26 -5.04 116.55 115.53 1ukl n ASP 338 Ca 0.20 -2.90 -0.37 0.00 -1.38 0.00 0.00 54.79 50.35 1ukl n ASP 338 Cb 0.49 -0.37 -0.06 0.00 -1.04 0.00 0.00 41.12 40.14 1ukl n ASP 338 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1ukl s ASP 339 N -2.47 7.03 -0.10 1.67 1.01 -1.26 -4.92 116.67 117.62 1ukl s ASP 339 Ca 0.28 1.31 0.02 0.00 0.71 0.00 0.00 52.55 54.87 1ukl s ASP 339 Cb 0.24 -2.38 0.18 0.00 1.01 0.00 0.00 42.92 41.97 1ukl s ASP 339 CO 0.03 0.13 1.14 -0.90 0.21 0.00 0.00 175.17 175.78 1ukl n ASP 340 N 1.07 2.98 -4.65 0.27 5.75 -1.26 -4.85 116.55 115.85 1ukl n ASP 340 Ca -0.05 -2.37 -0.35 0.00 -0.01 0.00 0.00 54.79 52.01 1ukl n ASP 340 Cb 0.51 -0.58 -0.09 0.00 -1.03 0.00 0.00 41.12 39.93 1ukl n ASP 340 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ukl s ASP 341 N 0.29 5.89 0.43 -1.12 2.15 -1.26 -5.09 116.67 117.96 1ukl s ASP 341 Ca 0.14 0.11 -0.15 0.00 0.43 0.00 0.00 52.55 53.08 1ukl s ASP 341 Cb 0.12 -2.04 -0.08 0.00 -0.30 0.00 0.00 42.92 40.62 1ukl s ASP 341 CO 0.03 0.13 0.87 0.86 -0.17 0.00 0.00 175.17 176.88 1ukl s TRP 342 N 0.67 3.42 -0.22 -5.34 -0.00 -1.26 -5.02 118.94 111.19 1ukl s TRP 342 Ca 0.06 1.31 -0.35 0.00 -0.00 0.00 0.00 56.10 57.12 1ukl s TRP 342 Cb -0.13 -2.65 0.15 0.00 -0.00 0.00 0.00 33.47 30.84 1ukl s TRP 342 CO 0.01 -0.16 1.25 0.54 -0.00 0.00 0.00 176.95 178.60 1ukl s ASN 343 N -2.80 -0.11 0.25 5.86 4.22 -1.26 -5.04 114.94 116.06 1ukl s ASN 343 Ca 0.56 0.01 -0.01 0.00 -2.14 0.00 0.00 52.86 51.28 1ukl s ASN 343 Cb -0.10 0.11 0.55 0.00 1.28 0.00 0.00 41.25 43.09 1ukl s ASN 343 CO 0.26 -0.18 1.30 -2.65 -2.04 0.00 0.00 177.10 173.80 1ukl n PRO 344 N -0.01 -0.07 -0.20 3.55 -0.02 -1.26 -0.45 135.00 136.54 1ukl n PRO 344 Ca 0.01 1.27 -0.02 0.00 -2.02 0.00 0.00 63.50 62.74 1ukl n PRO 344 Cb 0.58 -1.97 0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1ukl n PRO 344 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ukl h LYS 346 N 0.56 -0.62 -0.97 0.00 6.56 -1.11 -2.97 116.57 118.02 1ukl h LYS 346 Ca 0.27 0.04 0.26 0.00 -1.06 0.00 0.00 60.65 60.16 1ukl h LYS 346 Cb 0.21 0.14 -0.13 0.00 -0.57 0.00 0.00 32.23 31.88 1ukl h LYS 346 CO -0.20 -0.31 0.52 0.00 -2.06 0.00 0.00 179.45 177.40 1ukl h ALA 347 N -0.69 1.71 -0.36 3.86 0.00 -1.22 -1.37 119.26 121.20 1ukl h ALA 347 Ca -0.07 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1ukl h ALA 347 Cb 0.59 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ukl h ALA 347 CO 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 179.25 178.96 1ukl h ALA 348 N 1.76 0.48 -0.72 0.00 0.00 -1.08 -0.01 119.26 119.68 1ukl h ALA 348 Ca 0.64 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1ukl h ALA 348 Cb 1.29 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1ukl h ALA 348 CO -0.53 0.27 0.29 0.78 0.00 0.00 0.00 179.25 180.06 1ukl h GLY 349 N 0.45 1.16 0.74 0.00 0.00 -1.10 0.38 103.07 104.70 1ukl h GLY 349 Ca 0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1ukl h GLY 349 CO 0.02 0.59 -0.17 -2.08 0.00 0.00 0.00 176.54 174.91 1ukl h VAL 350 N 1.04 0.65 -0.88 4.60 2.07 -1.33 -2.06 116.25 120.34 1ukl h VAL 350 Ca 0.24 -0.46 0.20 0.00 0.82 0.00 0.00 66.70 67.50 1ukl h VAL 350 Cb 0.20 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1ukl h VAL 350 CO -0.02 0.09 0.59 0.00 0.02 0.00 0.00 177.57 178.24 1ukl h LEU 352 N 0.41 -0.35 -0.92 0.00 6.46 -0.70 -0.99 115.31 119.22 1ukl h LEU 352 Ca 0.46 -0.13 0.18 0.00 -0.12 0.00 0.00 57.88 58.27 1ukl h LEU 352 Cb 1.13 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 41.04 1ukl h LEU 352 CO -0.17 -0.06 0.50 0.24 -0.62 0.00 0.00 178.44 178.34 1ukl h MET 353 N -0.64 0.62 0.35 1.25 2.86 -0.23 0.96 114.93 120.09 1ukl h MET 353 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1ukl h MET 353 Cb 0.46 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ukl h MET 353 CO 0.07 0.41 -0.22 1.25 1.06 0.00 0.00 176.91 179.48 1ukl h LEU 354 N 0.64 -0.55 -1.13 1.22 6.46 -0.61 -2.12 115.31 119.22 1ukl h LEU 354 Ca 0.53 0.03 0.39 0.00 -0.12 0.00 0.00 57.88 58.71 1ukl h LEU 354 Cb 0.85 0.16 -0.15 0.00 -0.73 0.00 0.00 40.66 40.79 1ukl h LEU 354 CO -0.41 -0.33 0.65 -0.07 -0.62 0.00 0.00 178.44 177.66 1ukl h LEU 355 N -0.53 0.36 -1.38 2.25 3.38 -0.35 0.74 115.31 119.78 1ukl h LEU 355 Ca -0.05 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1ukl h LEU 355 Cb 0.43 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ukl h LEU 355 CO 0.04 -0.25 -0.12 -1.28 0.09 0.00 0.00 178.44 176.92 1ukl h SER 356 N 0.14 0.25 0.51 -0.43 0.87 -0.22 -0.81 113.55 113.87 1ukl h SER 356 Ca 0.80 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 1ukl h SER 356 Cb 2.15 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 64.04 1ukl h SER 356 CO -0.60 0.40 -0.50 0.35 -0.53 0.00 0.00 176.83 175.95 1ukl n THR 357 N -4.27 0.01 -0.11 2.23 -2.24 0.25 -1.88 114.28 108.27 1ukl n THR 357 Ca -0.00 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 1ukl n THR 357 Cb 0.27 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 1ukl n THR 357 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukl n GLU 360 N -0.25 0.00 -0.14 0.00 1.02 -0.79 -2.23 120.64 118.25 1ukl n GLU 360 Ca 0.10 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1ukl n GLU 360 Cb 0.42 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.88 1ukl n GLU 360 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ukl n ASP 361 N 0.04 -0.20 -0.30 1.62 8.00 -1.26 0.52 116.55 124.97 1ukl n ASP 361 Ca 0.00 0.66 0.35 0.00 0.71 0.00 0.00 54.79 56.51 1ukl n ASP 361 Cb 0.00 -0.17 0.74 0.00 -0.02 0.00 0.00 41.12 41.67 1ukl n ASP 361 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ukl h ASP 362 N 0.00 0.00 0.61 -2.24 5.19 -1.85 -2.87 116.42 115.26 1ukl h ASP 362 Ca 0.15 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 1ukl h ASP 362 Cb 0.25 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1ukl h ASP 362 CO -0.38 0.00 -0.34 -0.29 -3.12 0.00 0.00 179.24 175.11 1ukl h ILE 363 N 0.00 0.31 -0.82 0.35 6.09 -0.08 -3.33 117.51 120.03 1ukl h ILE 363 Ca 0.55 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 64.11 1ukl h ILE 363 Cb 2.29 0.31 -0.10 0.00 0.47 0.00 0.00 36.82 39.79 1ukl h ILE 363 CO -0.01 0.00 -0.48 0.52 -3.07 0.00 0.00 178.15 175.11 1ukl n VAL 364 N -5.48 -0.55 -0.29 2.19 0.31 -1.08 -1.06 118.33 112.36 1ukl n VAL 364 Ca -0.13 1.99 0.12 0.00 -0.01 0.00 0.00 64.34 66.31 1ukl n VAL 364 Cb 0.37 -2.46 0.27 0.00 -0.91 0.00 0.00 33.84 31.11 1ukl n VAL 364 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ukl h PRO 365 N 0.00 0.20 0.00 5.55 0.13 -1.78 0.45 132.00 136.54 1ukl h PRO 365 Ca 0.13 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.18 1ukl h PRO 365 Cb 0.33 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1ukl h PRO 365 CO -0.77 0.13 -0.31 0.45 -0.23 0.00 0.00 178.00 177.28 1ukl h HIS 366 N 0.20 0.00 0.05 1.56 3.86 -1.26 -3.33 115.15 116.23 1ukl h HIS 366 Ca 0.53 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.38 1ukl h HIS 366 Cb 1.05 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.47 1ukl h HIS 366 CO -0.28 0.31 -2.18 0.28 0.86 0.00 0.00 177.93 176.92 1ukl n VAL 367 N -3.57 1.61 -0.24 2.45 0.31 0.63 -4.56 118.33 114.97 1ukl n VAL 367 Ca -0.01 -0.67 0.03 0.00 -0.01 0.00 0.00 64.34 63.69 1ukl n VAL 367 Cb 0.44 -1.39 0.13 0.00 -0.91 0.00 0.00 33.84 32.12 1ukl n VAL 367 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ukl h LEU 368 N 0.03 -0.31 -0.48 7.52 3.38 -0.39 -2.23 115.31 122.83 1ukl h LEU 368 Ca -0.48 0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1ukl h LEU 368 Cb 2.01 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 43.00 1ukl h LEU 368 CO 0.02 -0.15 0.09 1.55 0.09 0.00 0.00 178.44 180.04 1ukl h PRO 369 N 0.11 0.22 -0.71 1.13 0.13 -1.80 0.22 132.00 131.30 1ukl h PRO 369 Ca 0.37 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.51 1ukl h PRO 369 Cb 0.64 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 1ukl h PRO 369 CO -0.60 0.14 0.47 0.35 -0.23 0.00 0.00 178.00 178.13 1ukl h PHE 370 N 0.22 0.86 0.30 1.56 3.57 -1.68 -1.25 116.94 120.53 1ukl h PHE 370 Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1ukl h PHE 370 Cb 0.32 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1ukl h PHE 370 CO -0.23 0.52 -0.14 0.82 -2.23 0.00 0.00 178.31 177.05 1ukl h ILE 371 N 0.91 0.68 -0.77 1.41 2.04 -0.73 -2.72 117.51 118.33 1ukl h ILE 371 Ca 0.27 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.53 1ukl h ILE 371 Cb -0.02 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1ukl h ILE 371 CO -0.07 0.12 0.51 0.11 0.00 0.00 0.00 178.15 178.82 1ukl h LYS 372 N -0.79 0.81 -0.17 2.37 1.57 -0.35 -2.15 116.57 117.87 1ukl h LYS 372 Ca -0.04 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 1ukl h LYS 372 Cb 0.51 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1ukl h LYS 372 CO 0.07 0.54 -0.73 1.49 -0.57 0.00 0.00 179.45 180.24 1ukl h GLU 373 N 0.84 0.79 -0.12 3.15 4.81 -1.28 -3.36 114.58 119.41 1ukl h GLU 373 Ca 0.33 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1ukl h GLU 373 Cb 0.22 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ukl h GLU 373 CO -0.11 1.24 0.00 0.72 -0.73 0.00 0.00 179.01 180.13 1ukl n HIS 374 N -3.97 0.13 1.11 0.92 8.25 -1.03 -4.19 115.22 116.45 1ukl n HIS 374 Ca -0.07 -0.07 0.11 0.00 -0.26 0.00 0.00 57.72 57.43 1ukl n HIS 374 Cb 0.72 -0.00 0.58 0.00 1.12 0.00 0.00 29.99 32.41 1ukl n HIS 374 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1ukl n ILE 375 N 1.37 0.26 0.06 1.59 3.06 -0.82 -2.75 119.36 122.13 1ukl n ILE 375 Ca 0.15 0.06 0.04 0.00 -2.50 0.00 0.00 62.75 60.51 1ukl n ILE 375 Cb 0.60 -0.70 -0.06 0.00 0.54 0.00 0.00 39.64 40.01 1ukl n ILE 375 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1ukl n LYS 376 N -1.24 0.90 -1.55 9.51 4.76 -1.26 -4.89 118.16 124.40 1ukl n LYS 376 Ca 0.12 -0.07 -0.56 0.00 -2.87 0.00 0.00 58.31 54.93 1ukl n LYS 376 Cb 0.16 -1.16 -0.07 0.00 -1.84 0.00 0.00 35.03 32.12 1ukl n LYS 376 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1ukl n ASN 377 N -1.71 0.81 0.18 4.39 4.05 -1.11 -4.87 115.26 117.01 1ukl n ASN 377 Ca -0.01 1.14 0.15 0.00 0.45 0.00 0.00 54.58 56.31 1ukl n ASN 377 Cb 0.21 -1.05 0.76 0.00 1.23 0.00 0.00 39.78 40.93 1ukl n ASN 377 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1ukl h PRO 378 N 3.81 0.00 -6.07 1.20 0.11 -1.97 -3.40 132.00 125.69 1ukl h PRO 378 Ca -0.49 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.04 1ukl h PRO 378 Cb 1.38 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.43 1ukl h PRO 378 CO 0.72 0.00 0.78 0.34 -0.21 0.00 0.00 178.00 179.62 1ukl s ASP 379 N -6.27 7.09 0.51 -2.05 2.15 -1.26 -4.92 116.67 111.92 1ukl s ASP 379 Ca -0.05 1.36 0.21 0.00 0.43 0.00 0.00 52.55 54.50 1ukl s ASP 379 Cb 0.17 -2.53 1.32 0.00 -0.30 0.00 0.00 42.92 41.57 1ukl s ASP 379 CO 0.62 -0.66 2.10 4.11 -0.17 0.00 0.00 175.17 181.17 1ukl h TRP 380 N 7.45 0.00 0.00 -5.34 5.08 -2.00 -1.10 115.95 120.05 1ukl h TRP 380 Ca -0.20 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.73 1ukl h TRP 380 Cb 1.06 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.22 1ukl h TRP 380 CO 0.75 0.09 -0.21 0.00 -1.28 0.00 0.00 178.44 177.80 1ukl h ARG 381 N 0.00 0.00 0.10 0.12 3.08 -1.91 -0.66 114.38 115.12 1ukl h ARG 381 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1ukl h ARG 381 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1ukl h ARG 381 CO 0.01 0.21 -1.74 1.88 -1.07 0.00 0.00 179.97 179.26 1ukl h TYR 382 N 0.00 0.39 -0.40 3.04 -1.99 -1.55 -2.54 116.97 113.93 1ukl h TYR 382 Ca -0.00 -0.29 0.01 0.00 2.00 0.00 0.00 58.73 60.44 1ukl h TYR 382 Cb 0.45 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 1ukl h TYR 382 CO 0.00 1.46 0.27 0.00 -0.00 0.00 0.00 178.16 179.89 1ukl h ARG 383 N 0.06 0.53 0.19 4.88 3.08 -1.26 -1.22 114.38 120.64 1ukl h ARG 383 Ca -0.32 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.71 1ukl h ARG 383 Cb 2.03 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.92 1ukl h ARG 383 CO 0.12 0.35 -0.40 0.22 -1.07 0.00 0.00 179.97 179.19 1ukl h ASP 384 N 0.54 -1.15 -0.94 7.04 3.58 -1.20 -0.96 116.42 123.33 1ukl h ASP 384 Ca 0.15 0.12 0.18 0.00 0.42 0.00 0.00 57.03 57.90 1ukl h ASP 384 Cb -0.06 0.42 -0.08 0.00 1.72 0.00 0.00 39.33 41.33 1ukl h ASP 384 CO -0.04 -0.49 0.60 0.00 -2.88 0.00 0.00 179.24 176.43 1ukl h ALA 385 N -0.20 1.93 0.58 -0.78 0.00 -1.22 0.32 119.26 119.88 1ukl h ALA 385 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ukl h ALA 385 Cb 0.68 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ukl h ALA 385 CO -0.19 -0.23 -0.28 0.00 0.00 0.00 0.00 179.25 178.55 1ukl h ALA 386 N 1.61 -0.77 -0.26 0.00 0.00 -0.20 0.69 119.26 120.33 1ukl h ALA 386 Ca 0.50 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1ukl h ALA 386 Cb 0.96 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1ukl h ALA 386 CO -0.25 -0.85 -0.07 0.28 0.00 0.00 0.00 179.25 178.37 1ukl h VAL 387 N -0.95 0.74 -0.40 0.00 2.07 -0.50 0.04 116.25 117.24 1ukl h VAL 387 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1ukl h VAL 387 Cb 0.65 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1ukl h VAL 387 CO 0.13 0.00 0.24 -0.03 0.02 0.00 0.00 177.57 177.93 1ukl h MET 388 N -0.00 0.46 -0.45 1.57 -1.53 -0.29 0.12 114.93 114.81 1ukl h MET 388 Ca 0.13 -0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.39 1ukl h MET 388 Cb 0.19 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.10 1ukl h MET 388 CO -0.27 0.31 0.25 0.00 0.14 0.00 0.00 176.91 177.33 1ukl h ALA 389 N 1.18 0.57 -0.05 0.39 0.00 0.11 -1.51 119.26 119.95 1ukl h ALA 389 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ukl h ALA 389 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ukl h ALA 389 CO -0.07 -0.09 0.01 0.35 0.00 0.00 0.00 179.25 179.45 1ukl h PHE 390 N 0.49 0.02 -0.50 0.00 3.57 -0.41 -2.72 116.94 117.40 1ukl h PHE 390 Ca 0.19 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1ukl h PHE 390 Cb 0.06 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1ukl h PHE 390 CO -0.09 0.01 0.22 0.78 -2.23 0.00 0.00 178.31 177.00 1ukl h GLY 391 N 0.04 0.75 -0.31 2.40 0.00 -0.51 -3.06 103.07 102.38 1ukl h GLY 391 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1ukl h GLY 391 CO -0.03 0.34 0.00 -1.14 0.00 0.00 0.00 176.54 175.71 1ukl n SER 392 N -4.37 0.89 -0.47 0.19 3.41 -0.59 -2.89 113.62 109.80 1ukl n SER 392 Ca 0.04 -1.71 0.05 0.00 -0.26 0.00 0.00 58.87 56.99 1ukl n SER 392 Cb 0.14 -0.08 0.09 0.00 -0.26 0.00 0.00 64.21 64.11 1ukl n SER 392 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ukl n ILE 393 N -0.14 0.59 0.80 -1.33 -5.35 -1.15 -3.79 119.36 109.00 1ukl n ILE 393 Ca 0.12 -0.80 0.08 0.00 -0.27 0.00 0.00 62.75 61.88 1ukl n ILE 393 Cb 0.19 0.78 0.41 0.00 -1.74 0.00 0.00 39.64 39.28 1ukl n ILE 393 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ukl n LEU 394 N 0.42 0.00 -3.76 7.28 4.77 -1.14 -4.40 117.00 120.18 1ukl n LEU 394 Ca 0.08 0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 1ukl n LEU 394 Cb 0.33 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.08 1ukl n LEU 394 CO 0.06 -0.09 -0.37 -0.70 -1.33 0.00 0.00 177.39 174.96 1ukl s GLU 395 N -2.37 0.77 0.00 3.23 2.12 -1.26 -4.81 118.70 116.37 1ukl s GLU 395 Ca 0.17 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1ukl s GLU 395 Cb 0.10 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.34 1ukl s GLU 395 CO 0.21 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 1ukl n GLY 396 N 4.99 1.91 3.50 -1.50 0.00 -1.26 -3.78 105.19 109.05 1ukl n GLY 396 Ca -0.09 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1ukl n GLY 396 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ukl n PRO 397 N 0.00 -0.30 -2.28 1.61 -0.02 -1.26 -4.30 135.00 128.45 1ukl n PRO 397 Ca 0.00 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.02 1ukl n PRO 397 Cb 0.00 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1ukl n PRO 397 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ukl s GLU 398 N -3.91 4.31 0.28 -0.52 -6.30 -1.26 -4.83 118.70 106.47 1ukl s GLU 398 Ca 0.61 1.90 0.02 0.00 -2.50 0.00 0.00 54.97 55.00 1ukl s GLU 398 Cb -0.23 -3.53 0.69 0.00 0.00 0.00 0.00 34.13 31.06 1ukl s GLU 398 CO 0.64 -0.52 1.68 -1.35 0.02 0.00 0.00 175.26 175.73 1ukl h PRO 399 N 7.61 0.31 0.00 4.30 0.11 -1.96 0.31 132.00 142.69 1ukl h PRO 399 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ukl h PRO 399 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ukl h PRO 399 CO 0.89 0.21 0.00 0.09 -0.21 0.00 0.00 178.00 178.97 1ukl n ASN 400 N -5.12 0.00 -0.09 -2.05 3.02 -1.26 0.01 115.26 109.77 1ukl n ASN 400 Ca 0.21 -0.18 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 1ukl n ASN 400 Cb 0.64 -0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.65 1ukl n ASN 400 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ukl n GLN 401 N -1.02 1.05 0.02 3.52 7.27 0.09 -4.51 117.38 123.80 1ukl n GLN 401 Ca 0.05 -0.01 -0.16 0.00 0.07 0.00 0.00 57.00 56.95 1ukl n GLN 401 Cb 0.03 -1.46 -0.14 0.00 2.41 0.00 0.00 30.24 31.07 1ukl n GLN 401 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1ukl h LEU 402 N 0.00 0.28 -0.69 1.69 3.38 -0.70 -3.38 115.31 115.89 1ukl h LEU 402 Ca -0.48 -0.52 0.13 0.00 0.09 0.00 0.00 57.88 57.09 1ukl h LEU 402 Cb 2.10 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 42.63 1ukl h LEU 402 CO 0.03 1.45 -0.28 0.11 0.09 0.00 0.00 178.44 179.84 1ukl h LYS 403 N 0.05 -0.08 -0.06 1.13 1.57 -0.65 0.11 116.57 118.65 1ukl h LYS 403 Ca -0.32 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1ukl h LYS 403 Cb 2.02 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.33 1ukl h LYS 403 CO 0.11 -0.06 -0.05 -1.00 -0.57 0.00 0.00 179.45 177.89 1ukl h PRO 404 N -0.09 -0.06 -0.94 3.15 0.13 -1.82 -0.99 132.00 131.39 1ukl h PRO 404 Ca 0.29 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.57 1ukl h PRO 404 Cb 0.55 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.60 1ukl h PRO 404 CO -0.74 -0.04 0.55 -0.07 -0.23 0.00 0.00 178.00 177.47 1ukl h LEU 405 N -0.06 0.74 0.60 1.56 4.07 -1.35 -1.70 115.31 119.16 1ukl h LEU 405 Ca 0.04 0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1ukl h LEU 405 Cb 0.12 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.81 1ukl h LEU 405 CO -0.10 0.34 -0.29 0.58 -1.08 0.00 0.00 178.44 177.89 1ukl h VAL 406 N 0.79 0.40 -1.04 1.22 2.07 -0.19 -0.81 116.25 118.69 1ukl h VAL 406 Ca 0.50 -0.06 0.27 0.00 0.82 0.00 0.00 66.70 68.23 1ukl h VAL 406 Cb 0.64 0.42 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 1ukl h VAL 406 CO -0.33 0.01 0.65 0.40 0.02 0.00 0.00 177.57 178.33 1ukl h ILE 407 N -0.85 0.50 -0.00 4.57 1.08 -0.35 1.21 117.51 123.67 1ukl h ILE 407 Ca -0.08 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1ukl h ILE 407 Cb 0.63 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1ukl h ILE 407 CO 0.14 0.08 -0.20 0.00 -0.69 0.00 0.00 178.15 177.48 1ukl n GLN 408 N -4.73 0.10 0.02 2.37 10.64 -0.74 -3.56 117.38 121.49 1ukl n GLN 408 Ca 0.27 -0.03 0.11 0.00 -1.83 0.00 0.00 57.00 55.51 1ukl n GLN 408 Cb 0.87 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.67 1ukl n GLN 408 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ukl n ALA 409 N -1.42 3.34 -0.09 2.61 0.00 0.40 -4.58 120.51 120.76 1ukl n ALA 409 Ca 0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 53.44 52.99 1ukl n ALA 409 Cb 0.33 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 18.92 1ukl n ALA 409 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ukl h MET 410 N 0.00 0.16 0.04 0.00 2.86 -1.16 0.22 114.93 117.05 1ukl h MET 410 Ca 0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1ukl h MET 410 Cb 0.82 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1ukl h MET 410 CO 0.00 0.10 -0.06 -1.35 1.06 0.00 0.00 176.91 176.66 1ukl h PRO 411 N 0.16 -0.13 -0.78 -0.22 0.11 -1.81 0.52 132.00 129.86 1ukl h PRO 411 Ca 0.16 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1ukl h PRO 411 Cb 0.19 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.27 1ukl h PRO 411 CO -0.22 -0.08 0.48 1.15 -0.21 0.00 0.00 178.00 179.11 1ukl h THR 412 N -0.13 1.06 -0.41 -1.15 2.02 -1.81 -0.58 112.91 111.90 1ukl h THR 412 Ca 0.01 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1ukl h THR 412 Cb 0.14 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1ukl h THR 412 CO -0.04 0.16 0.24 -0.07 0.37 0.00 0.00 175.52 176.19 1ukl h LEU 413 N 0.90 0.50 -0.84 2.58 4.07 0.12 -1.03 115.31 121.61 1ukl h LEU 413 Ca 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 1ukl h LEU 413 Cb 0.10 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 1ukl h LEU 413 CO -0.15 0.42 0.45 0.40 -1.08 0.00 0.00 178.44 178.49 1ukl h ILE 414 N 0.54 1.25 -0.09 1.22 2.04 0.93 -2.57 117.51 120.83 1ukl h ILE 414 Ca 0.15 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1ukl h ILE 414 Cb 0.02 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1ukl h ILE 414 CO -0.03 0.28 -0.07 -0.08 0.00 0.00 0.00 178.15 178.26 1ukl h GLU 415 N 1.18 0.21 -0.25 2.37 4.81 -0.92 -2.68 114.58 119.30 1ukl h GLU 415 Ca 0.30 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1ukl h GLU 415 Cb 0.05 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ukl h GLU 415 CO -0.05 0.60 0.44 -0.07 -0.73 0.00 0.00 179.01 179.21 1ukl h LEU 416 N -0.18 0.00 -2.32 1.64 3.38 -1.09 1.02 115.31 117.76 1ukl h LEU 416 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ukl h LEU 416 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ukl h LEU 416 CO 0.02 0.00 0.03 0.24 0.09 0.00 0.00 178.44 178.82 1ukl h MET 417 N 0.00 0.00 -0.66 1.13 2.86 -1.10 0.20 114.93 117.37 1ukl h MET 417 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1ukl h MET 417 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1ukl h MET 417 CO -0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 1ukl n LYS 418 N -4.03 3.13 -1.20 1.72 4.76 0.35 -4.91 118.16 117.98 1ukl n LYS 418 Ca -0.02 -2.70 -0.35 0.00 -2.87 0.00 0.00 58.31 52.37 1ukl n LYS 418 Cb 0.12 -1.67 0.09 0.00 -1.84 0.00 0.00 35.03 31.74 1ukl n LYS 418 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ukl n ASP 419 N 1.31 -0.21 0.13 4.39 -0.08 0.06 -4.90 116.55 117.24 1ukl n ASP 419 Ca 0.24 0.59 -0.01 0.00 -1.51 0.00 0.00 54.79 54.09 1ukl n ASP 419 Cb 0.71 -1.35 0.16 0.00 2.34 0.00 0.00 41.12 42.98 1ukl n ASP 419 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ukl h PRO 420 N -0.60 0.00 -6.36 -0.67 0.11 -1.94 -3.45 132.00 119.09 1ukl h PRO 420 Ca -0.46 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.10 1ukl h PRO 420 Cb 1.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1ukl h PRO 420 CO 0.44 0.63 0.42 0.45 -0.21 0.00 0.00 178.00 179.73 1ukl s SER 421 N -6.81 7.33 0.15 -2.05 0.15 -1.26 -4.96 113.70 106.25 1ukl s SER 421 Ca -0.01 1.61 -0.17 0.00 0.70 0.00 0.00 55.95 58.09 1ukl s SER 421 Cb 0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1ukl s SER 421 CO 0.76 -0.31 1.79 -0.37 1.20 0.00 0.00 173.24 176.31 1ukl h VAL 422 N 4.89 1.11 -0.32 4.45 -1.51 -1.97 0.11 116.25 123.01 1ukl h VAL 422 Ca -0.38 -0.24 0.07 0.00 -1.23 0.00 0.00 66.70 64.92 1ukl h VAL 422 Cb 1.20 0.59 -0.07 0.00 -2.13 0.00 0.00 31.29 30.87 1ukl h VAL 422 CO 0.78 0.11 -0.16 0.58 -1.23 0.00 0.00 177.57 177.65 1ukl h VAL 423 N 0.51 0.51 -0.64 7.19 2.07 -1.94 1.50 116.25 125.45 1ukl h VAL 423 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1ukl h VAL 423 Cb -0.03 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1ukl h VAL 423 CO -0.03 0.00 0.41 0.58 0.02 0.00 0.00 177.57 178.55 1ukl h VAL 424 N -0.12 1.13 -0.04 2.57 2.07 -1.76 -1.67 116.25 118.43 1ukl h VAL 424 Ca 0.17 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1ukl h VAL 424 Cb 0.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1ukl h VAL 424 CO -0.39 0.15 -0.39 0.03 0.02 0.00 0.00 177.57 176.99 1ukl h ARG 425 N 0.83 0.08 0.43 1.57 3.08 0.13 -1.35 114.38 119.15 1ukl h ARG 425 Ca 0.25 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1ukl h ARG 425 Cb -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1ukl h ARG 425 CO -0.08 0.46 -0.21 0.22 -1.07 0.00 0.00 179.97 179.30 1ukl h ASP 426 N 0.07 -0.49 -1.36 7.04 3.58 0.25 -2.54 116.42 122.97 1ukl h ASP 426 Ca 0.01 0.02 0.39 0.00 0.42 0.00 0.00 57.03 57.87 1ukl h ASP 426 Cb 0.72 0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.83 1ukl h ASP 426 CO 0.05 -0.23 0.97 0.74 -2.88 0.00 0.00 179.24 177.89 1ukl h THR 427 N -0.81 0.31 0.11 2.25 2.02 -1.29 -0.99 112.91 114.51 1ukl h THR 427 Ca -0.06 -0.01 -0.18 0.00 0.77 0.00 0.00 66.41 66.93 1ukl h THR 427 Cb 0.44 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1ukl h THR 427 CO 0.10 0.00 -0.85 0.74 0.37 0.00 0.00 175.52 175.88 1ukl h THR 428 N 0.03 1.43 -0.92 3.16 2.02 -1.21 -2.03 112.91 115.39 1ukl h THR 428 Ca 0.66 -2.47 0.09 0.00 0.77 0.00 0.00 66.41 65.45 1ukl h THR 428 Cb 2.57 3.09 -0.07 0.00 -1.74 0.00 0.00 68.15 72.01 1ukl h THR 428 CO -0.04 0.69 0.59 0.00 0.37 0.00 0.00 175.52 177.13 1ukl h ALA 429 N 0.02 1.57 0.27 6.16 0.00 -0.78 0.39 119.26 126.89 1ukl h ALA 429 Ca -0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ukl h ALA 429 Cb 1.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ukl h ALA 429 CO 0.10 0.25 -0.13 2.35 0.00 0.00 0.00 179.25 181.82 1ukl h TRP 430 N 0.96 -0.34 -0.69 0.00 7.01 -1.32 -0.65 115.95 120.92 1ukl h TRP 430 Ca 0.42 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.46 1ukl h TRP 430 Cb 0.34 0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 1ukl h TRP 430 CO -0.00 -0.14 0.45 1.15 -2.79 0.00 0.00 178.44 177.11 1ukl h THR 431 N -0.46 1.07 -0.44 2.65 2.02 -0.44 -0.24 112.91 117.06 1ukl h THR 431 Ca -0.04 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1ukl h THR 431 Cb 0.35 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1ukl h THR 431 CO 0.06 0.14 0.13 0.58 0.37 0.00 0.00 175.52 176.80 1ukl h VAL 432 N 0.78 1.23 0.24 3.16 2.07 -0.02 -1.29 116.25 122.42 1ukl h VAL 432 Ca 0.28 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ukl h VAL 432 Cb 0.14 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1ukl h VAL 432 CO -0.08 0.27 -0.20 1.23 0.02 0.00 0.00 177.57 178.81 1ukl h GLY 433 N 0.58 -0.47 0.23 2.17 0.00 0.43 -1.03 103.07 104.98 1ukl h GLY 433 Ca 0.14 0.23 0.17 0.00 0.00 0.00 0.00 47.33 47.87 1ukl h GLY 433 CO -0.00 -0.20 0.62 3.21 0.00 0.00 0.00 176.54 180.17 1ukl h ARG 434 N -0.46 0.81 0.55 4.80 2.47 -0.99 0.12 114.38 121.68 1ukl h ARG 434 Ca -0.01 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1ukl h ARG 434 Cb 0.41 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1ukl h ARG 434 CO -0.02 0.54 -0.26 0.82 0.56 0.00 0.00 179.97 181.60 1ukl h ILE 435 N 0.84 0.45 -0.95 2.04 2.04 -0.61 0.22 117.51 121.53 1ukl h ILE 435 Ca 0.55 -0.10 0.24 0.00 1.00 0.00 0.00 64.86 66.56 1ukl h ILE 435 Cb 0.77 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1ukl h ILE 435 CO -0.35 0.02 0.65 0.00 0.00 0.00 0.00 178.15 178.46 1ukl n GLU 437 N -4.45 0.72 0.07 0.00 2.13 0.26 -3.78 120.64 115.58 1ukl n GLU 437 Ca 0.21 0.26 0.11 0.00 0.66 0.00 0.00 57.16 58.40 1ukl n GLU 437 Cb 0.85 -1.72 -0.05 0.00 0.27 0.00 0.00 31.44 30.79 1ukl n GLU 437 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ukl n LEU 438 N -3.32 0.61 -3.03 4.31 4.77 0.05 -4.59 117.00 115.80 1ukl n LEU 438 Ca -0.28 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1ukl n LEU 438 Cb 1.05 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1ukl n LEU 438 CO 0.43 -0.12 -0.10 0.18 -1.33 0.00 0.00 177.39 176.45 1ukl n LEU 439 N -2.57 0.34 -0.38 2.23 4.32 0.19 -4.98 117.00 116.14 1ukl n LEU 439 Ca -0.02 -4.57 -0.06 0.00 -0.02 0.00 0.00 56.01 51.34 1ukl n LEU 439 Cb 0.57 0.69 -0.03 0.00 -1.62 0.00 0.00 43.42 43.03 1ukl n LEU 439 CO 0.42 2.14 0.53 1.55 -1.22 0.00 0.00 177.39 180.81 1ukl h PRO 440 N 2.97 -0.02 -0.56 3.23 0.13 -1.65 -1.68 132.00 134.41 1ukl h PRO 440 Ca 0.03 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.24 1ukl h PRO 440 Cb 1.03 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.08 1ukl h PRO 440 CO 0.42 -0.02 -0.23 0.39 -0.23 0.00 0.00 178.00 178.34 1ukl n GLU 441 N -5.36 -0.14 0.10 0.86 1.02 -1.26 0.39 120.64 116.25 1ukl n GLU 441 Ca 0.06 0.86 -0.04 0.00 -0.02 0.00 0.00 57.16 58.02 1ukl n GLU 441 Cb 0.33 -1.28 0.14 0.00 -0.02 0.00 0.00 31.44 30.61 1ukl n GLU 441 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ukl h ALA 442 N 0.73 0.89 0.22 0.62 0.00 -1.68 -3.04 119.26 117.00 1ukl h ALA 442 Ca 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ukl h ALA 442 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ukl h ALA 442 CO -0.55 0.74 -0.11 0.00 0.00 0.00 0.00 179.25 179.33 1ukl h ALA 443 N 1.25 -0.30 0.00 0.00 0.00 0.09 -3.09 119.26 117.21 1ukl h ALA 443 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ukl h ALA 443 Cb 1.10 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ukl h ALA 443 CO 0.09 -0.43 0.00 1.51 0.00 0.00 0.00 179.25 180.42 1ukl n ILE 444 N -5.02 0.00 -1.66 0.00 3.06 -0.11 -4.58 119.36 111.04 1ukl n ILE 444 Ca -0.09 0.00 -0.45 0.00 -2.50 0.00 0.00 62.75 59.71 1ukl n ILE 444 Cb 0.26 -0.66 -0.03 0.00 0.54 0.00 0.00 39.64 39.75 1ukl n ILE 444 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1ukl n ASN 445 N -0.93 2.61 0.08 9.51 2.85 -1.15 -4.81 115.26 123.42 1ukl n ASN 445 Ca 0.11 1.14 0.09 0.00 -0.11 0.00 0.00 54.58 55.81 1ukl n ASN 445 Cb 0.05 -1.40 0.41 0.00 1.24 0.00 0.00 39.78 40.08 1ukl n ASN 445 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1ukl n ASP 446 N 2.27 0.39 -0.08 1.20 5.75 -1.26 -1.74 116.55 123.08 1ukl n ASP 446 Ca 0.13 0.61 -0.12 0.00 -0.01 0.00 0.00 54.79 55.40 1ukl n ASP 446 Cb 0.30 -0.69 0.01 0.00 -1.03 0.00 0.00 41.12 39.71 1ukl n ASP 446 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1ukl h VAL 447 N 0.00 1.28 0.00 2.12 2.07 -1.96 -3.35 116.25 116.40 1ukl h VAL 447 Ca 0.00 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1ukl h VAL 447 Cb 0.27 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ukl h VAL 447 CO 0.00 0.52 0.00 -1.22 0.02 0.00 0.00 177.57 176.89 1ukl n TYR 448 N -4.04 0.00 -0.35 1.57 4.01 -1.21 -4.77 117.16 112.38 1ukl n TYR 448 Ca -0.02 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1ukl n TYR 448 Cb 0.55 -0.02 0.14 0.00 -0.31 0.00 0.00 39.34 39.70 1ukl n TYR 448 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ukl h LEU 449 N 0.00 0.99 0.56 7.72 5.85 -1.48 0.09 115.31 129.04 1ukl h LEU 449 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1ukl h LEU 449 Cb 0.37 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1ukl h LEU 449 CO 0.00 0.66 -0.28 0.00 -0.34 0.00 0.00 178.44 178.48 1ukl h ALA 450 N 1.41 -0.77 0.00 1.25 0.00 -1.86 -1.47 119.26 117.82 1ukl h ALA 450 Ca 0.39 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ukl h ALA 450 Cb 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ukl h ALA 450 CO -0.14 -0.93 -0.39 -1.00 0.00 0.00 0.00 179.25 176.78 1ukl h PRO 451 N -0.77 0.00 -0.03 0.00 0.13 -1.87 -2.57 132.00 126.89 1ukl h PRO 451 Ca -0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 1ukl h PRO 451 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1ukl h PRO 451 CO 0.12 0.39 -0.36 1.25 -0.23 0.00 0.00 178.00 179.17 1ukl h LEU 452 N 0.00 0.06 0.11 1.56 5.85 -0.75 -2.02 115.31 120.12 1ukl h LEU 452 Ca -0.00 -0.02 -0.30 0.00 0.84 0.00 0.00 57.88 58.39 1ukl h LEU 452 Cb 0.72 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1ukl h LEU 452 CO 0.05 0.42 -1.52 -0.07 -0.34 0.00 0.00 178.44 176.98 1ukl h LEU 453 N 0.05 0.37 -0.07 2.25 3.38 -1.04 -3.03 115.31 117.23 1ukl h LEU 453 Ca 0.00 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.48 1ukl h LEU 453 Cb 0.67 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1ukl h LEU 453 CO 0.05 1.42 -0.05 -0.61 0.09 0.00 0.00 178.44 179.35 1ukl h GLN 454 N 0.06 -0.05 -0.87 1.13 5.75 -1.34 0.08 115.11 119.87 1ukl h GLN 454 Ca -0.24 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.40 1ukl h GLN 454 Cb 2.01 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 30.48 1ukl h GLN 454 CO 0.16 -0.03 0.48 0.00 -2.65 0.00 0.00 178.83 176.79 1ukl h LEU 456 N 0.73 0.60 -1.83 0.00 3.38 -1.31 0.23 115.31 117.11 1ukl h LEU 456 Ca 0.46 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ukl h LEU 456 Cb 0.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ukl h LEU 456 CO -0.32 1.35 0.13 0.40 0.09 0.00 0.00 178.44 180.09 1ukl h ILE 457 N 0.22 1.03 0.08 1.22 2.04 -0.68 -1.57 117.51 119.86 1ukl h ILE 457 Ca -0.12 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1ukl h ILE 457 Cb 1.73 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1ukl h ILE 457 CO 0.19 0.04 -0.04 -0.33 0.00 0.00 0.00 178.15 178.01 1ukl h GLU 458 N 0.23 -0.11 -1.19 2.37 5.08 -1.23 -3.24 114.58 116.50 1ukl h GLU 458 Ca 0.08 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.79 1ukl h GLU 458 Cb 0.03 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1ukl h GLU 458 CO -0.02 0.27 1.20 0.78 -1.00 0.00 0.00 179.01 180.24 1ukl h GLY 459 N -0.98 0.00 2.00 -3.84 0.00 0.03 0.72 103.07 101.00 1ukl h GLY 459 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1ukl h GLY 459 CO 0.02 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.93 1ukl h LEU 460 N 0.00 0.00 0.00 3.11 3.38 -1.33 -1.96 115.31 118.51 1ukl h LEU 460 Ca 0.56 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.46 1ukl h LEU 460 Cb 2.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.70 1ukl h LEU 460 CO -0.01 0.04 -0.80 0.28 0.09 0.00 0.00 178.44 178.05 1ukl h SER 461 N 0.00 0.00 -0.52 -0.43 0.02 0.27 -3.45 113.55 109.44 1ukl h SER 461 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ukl h SER 461 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1ukl h SER 461 CO 0.01 0.29 -0.00 0.00 -1.14 0.00 0.00 176.83 175.98 1ukl n ALA 462 N -2.24 -0.08 -1.78 3.77 0.00 -0.74 -4.92 120.51 114.52 1ukl n ALA 462 Ca -0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1ukl n ALA 462 Cb 0.68 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 1ukl n ALA 462 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ukl s GLU 463 N -1.48 3.80 0.57 0.00 8.01 -1.26 -4.57 118.70 123.77 1ukl s GLU 463 Ca 0.01 1.52 0.40 0.00 0.01 0.00 0.00 54.97 56.91 1ukl s GLU 463 Cb -0.00 -2.25 1.50 0.00 -4.31 0.00 0.00 34.13 29.07 1ukl s GLU 463 CO 0.01 -0.46 1.61 -1.35 0.01 0.00 0.00 175.26 175.08 1ukl h PRO 464 N 1.82 0.00 0.33 0.39 0.11 -1.91 0.52 132.00 133.26 1ukl h PRO 464 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1ukl h PRO 464 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ukl h PRO 464 CO 0.60 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.23 1ukl h ARG 465 N 0.00 -0.43 0.26 1.05 2.47 -1.89 -2.38 114.38 113.45 1ukl h ARG 465 Ca 0.68 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.41 1ukl h ARG 465 Cb 2.96 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 31.38 1ukl h ARG 465 CO -0.01 -0.14 -0.12 0.28 0.56 0.00 0.00 179.97 180.54 1ukl h VAL 466 N -0.72 0.58 -0.60 2.04 2.07 -0.39 -3.34 116.25 115.89 1ukl h VAL 466 Ca -0.05 -0.89 0.12 0.00 0.82 0.00 0.00 66.70 66.71 1ukl h VAL 466 Cb 0.49 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 1ukl h VAL 466 CO 0.08 0.14 -0.00 0.00 0.02 0.00 0.00 177.57 177.80 1ukl h ALA 467 N -0.52 0.58 -0.72 1.67 0.00 -1.01 -2.16 119.26 117.10 1ukl h ALA 467 Ca -0.04 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.22 1ukl h ALA 467 Cb 0.50 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 1ukl h ALA 467 CO 0.06 -0.39 0.11 1.03 0.00 0.00 0.00 179.25 180.06 1ukl h SER 468 N 0.11 -0.11 0.65 0.00 0.87 -1.55 0.55 113.55 114.08 1ukl h SER 468 Ca 0.31 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.93 1ukl h SER 468 Cb 0.50 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1ukl h SER 468 CO -0.51 -0.08 -0.47 0.78 -0.53 0.00 0.00 176.83 176.01 1ukl h ASN 469 N 0.20 0.00 -0.49 6.23 2.35 -1.54 -2.34 115.58 119.99 1ukl h ASN 469 Ca 0.40 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.12 1ukl h ASN 469 Cb 0.69 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 1ukl h ASN 469 CO -0.55 0.47 0.18 0.58 -1.65 0.00 0.00 177.43 176.47 1ukl h VAL 470 N 0.00 1.21 0.34 2.81 2.07 0.59 0.31 116.25 123.58 1ukl h VAL 470 Ca -0.00 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1ukl h VAL 470 Cb 0.93 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ukl h VAL 470 CO 0.06 0.27 -0.16 0.00 0.02 0.00 0.00 177.57 177.76 1ukl h TRP 472 N -0.68 0.31 0.14 0.00 7.01 -1.16 0.19 115.95 121.76 1ukl h TRP 472 Ca -0.05 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1ukl h TRP 472 Cb 0.47 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.47 1ukl h TRP 472 CO 0.00 -0.07 -0.36 0.00 -2.79 0.00 0.00 178.44 175.21 1ukl h ALA 473 N 1.61 -0.64 -0.60 2.65 0.00 0.02 -2.10 119.26 120.20 1ukl h ALA 473 Ca 0.42 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.40 1ukl h ALA 473 Cb 0.72 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1ukl h ALA 473 CO -0.50 -0.92 0.41 0.74 0.00 0.00 0.00 179.25 178.98 1ukl h PHE 474 N -0.61 0.24 0.04 0.00 0.04 0.11 0.51 116.94 117.28 1ukl h PHE 474 Ca 0.02 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1ukl h PHE 474 Cb 0.63 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1ukl h PHE 474 CO -0.31 0.10 -0.02 0.66 -0.60 0.00 0.00 178.31 178.14 1ukl h SER 475 N 0.21 -0.05 -0.15 2.17 4.64 -0.67 -0.24 113.55 119.46 1ukl h SER 475 Ca 0.29 -0.48 0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1ukl h SER 475 Cb 0.83 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.89 1ukl h SER 475 CO -0.05 0.47 -0.14 0.28 -0.87 0.00 0.00 176.83 176.52 1ukl h SER 476 N -0.58 -0.43 -0.89 4.97 0.02 -0.72 -1.72 113.55 114.21 1ukl h SER 476 Ca -0.01 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1ukl h SER 476 Cb 0.52 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1ukl h SER 476 CO 0.01 -0.18 0.56 0.25 -1.14 0.00 0.00 176.83 176.33 1ukl h LEU 477 N -0.16 0.89 -0.12 5.07 5.85 -0.93 -2.43 115.31 123.49 1ukl h LEU 477 Ca 0.10 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1ukl h LEU 477 Cb 0.30 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ukl h LEU 477 CO -0.24 0.58 -0.01 0.00 -0.34 0.00 0.00 178.44 178.43 1ukl h ALA 478 N 1.41 0.10 -0.40 1.25 0.00 -0.13 0.60 119.26 122.08 1ukl h ALA 478 Ca 0.38 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1ukl h ALA 478 Cb 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ukl h ALA 478 CO -0.16 -0.47 0.00 1.49 0.00 0.00 0.00 179.25 180.11 1ukl h GLU 479 N 0.03 0.64 -0.26 0.00 4.81 -1.29 -2.45 114.58 116.06 1ukl h GLU 479 Ca 0.06 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 1ukl h GLU 479 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1ukl h GLU 479 CO -0.11 0.66 -0.46 0.00 -0.73 0.00 0.00 179.01 178.38 1ukl h ALA 480 N 1.40 0.72 -0.60 2.92 0.00 -0.92 -1.97 119.26 120.81 1ukl h ALA 480 Ca 0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1ukl h ALA 480 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ukl h ALA 480 CO 0.01 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 1ukl h ALA 481 N 0.96 0.81 0.30 0.00 0.00 -0.65 -2.65 119.26 118.03 1ukl h ALA 481 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ukl h ALA 481 Cb 1.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ukl h ALA 481 CO 0.09 0.66 -0.14 -0.92 0.00 0.00 0.00 179.25 178.94 1ukl h TYR 482 N 0.97 -0.37 0.00 0.00 3.20 -1.37 -2.14 116.97 117.25 1ukl h TYR 482 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1ukl h TYR 482 Cb 0.58 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1ukl h TYR 482 CO 0.04 -0.23 0.10 0.39 -1.64 0.00 0.00 178.16 176.81 1ukl n GLU 483 N -3.28 0.00 -0.12 1.82 1.02 -0.75 -1.37 120.64 117.96 1ukl n GLU 483 Ca -0.05 0.19 -0.24 0.00 -0.02 0.00 0.00 57.16 57.04 1ukl n GLU 483 Cb 0.16 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.90 1ukl n GLU 483 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ukl n ALA 484 N -1.12 1.05 0.14 0.62 0.00 -1.00 -4.04 120.51 116.16 1ukl n ALA 484 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 53.44 52.51 1ukl n ALA 484 Cb 0.10 0.01 0.07 0.00 0.00 0.00 0.00 19.45 19.62 1ukl n ALA 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ukl n ALA 485 N -4.13 1.45 -0.32 0.00 0.00 -0.47 -3.74 120.51 113.29 1ukl n ALA 485 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 1ukl n ALA 485 Cb 0.77 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 19.20 1ukl n ALA 485 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ukl n ASP 486 N -1.15 -0.60 0.14 0.00 2.03 -0.90 0.25 116.55 116.32 1ukl n ASP 486 Ca 0.02 1.45 0.12 0.00 0.52 0.00 0.00 54.79 56.90 1ukl n ASP 486 Cb 0.01 -0.31 0.52 0.00 -0.72 0.00 0.00 41.12 40.63 1ukl n ASP 486 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ukl n VAL 487 N -5.19 0.88 0.61 5.18 0.24 -1.25 0.22 118.33 119.03 1ukl n VAL 487 Ca 0.07 0.36 0.08 0.00 -2.04 0.00 0.00 64.34 62.82 1ukl n VAL 487 Cb 0.31 -1.32 0.22 0.00 -1.47 0.00 0.00 33.84 31.59 1ukl n VAL 487 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ukl n ALA 488 N -1.78 2.44 -2.74 2.33 0.00 0.69 -4.79 120.51 116.65 1ukl n ALA 488 Ca 0.01 -0.78 -0.38 0.00 0.00 0.00 0.00 53.44 52.29 1ukl n ALA 488 Cb 0.18 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1ukl n ALA 488 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ukl s ASP 489 N -1.09 5.73 -0.03 0.00 2.15 0.13 -3.28 116.67 120.29 1ukl s ASP 489 Ca 0.31 -0.15 0.05 0.00 0.43 0.00 0.00 52.55 53.19 1ukl s ASP 489 Cb 0.16 -2.06 -0.01 0.00 -0.30 0.00 0.00 42.92 40.72 1ukl s ASP 489 CO 0.22 -0.08 -0.18 -1.81 -0.17 0.00 0.00 175.17 173.15 1ukl s ASP 490 N 1.70 2.20 -0.70 -0.34 1.01 -1.23 -4.74 116.67 114.58 1ukl s ASP 490 Ca 0.07 -0.35 -0.04 0.00 0.71 0.00 0.00 52.55 52.93 1ukl s ASP 490 Cb -0.16 -0.48 0.00 0.00 1.01 0.00 0.00 42.92 43.30 1ukl s ASP 490 CO 0.08 0.19 0.61 0.00 0.21 0.00 0.00 175.17 176.26 1ukl n GLN 491 N 2.94 -4.12 -1.01 8.23 6.02 -1.26 -3.68 117.38 124.50 1ukl n GLN 491 Ca -0.17 0.44 -0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1ukl n GLN 491 Cb 0.53 -4.28 -0.00 0.00 1.02 0.00 0.00 30.24 27.51 1ukl n GLN 491 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ukl n GLU 492 N -2.85 -0.42 -3.64 -1.09 1.02 -1.26 -5.01 120.64 107.39 1ukl n GLU 492 Ca -0.01 0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.21 1ukl n GLU 492 Cb 0.54 -3.48 -0.07 0.00 -0.02 0.00 0.00 31.44 28.41 1ukl n GLU 492 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ukl s GLU 493 N -0.55 0.42 0.05 3.49 2.02 -1.24 -5.13 118.70 117.76 1ukl s GLU 493 Ca 0.00 0.59 -0.34 0.00 0.02 0.00 0.00 54.97 55.24 1ukl s GLU 493 Cb 0.00 0.16 -0.13 0.00 0.10 0.00 0.00 34.13 34.26 1ukl s GLU 493 CO 0.00 -0.07 1.72 -2.30 0.02 0.00 0.00 175.26 174.63 1ukl n PRO 494 N 2.80 2.19 0.15 0.39 -0.02 -1.26 -3.49 135.00 135.76 1ukl n PRO 494 Ca -0.15 0.80 0.02 0.00 -2.02 0.00 0.00 63.50 62.15 1ukl n PRO 494 Cb 0.57 -2.60 0.36 0.00 -0.02 0.00 0.00 33.50 31.81 1ukl n PRO 494 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ukl h ALA 495 N 7.45 1.42 -2.63 3.55 0.00 -1.87 -1.85 119.26 125.32 1ukl h ALA 495 Ca -0.47 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.22 1ukl h ALA 495 Cb 1.26 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1ukl h ALA 495 CO 0.92 0.42 0.36 -0.08 0.00 0.00 0.00 179.25 180.86 1ukl s THR 496 N -4.42 0.00 0.17 0.00 -1.32 -1.26 -2.61 115.64 106.20 1ukl s THR 496 Ca -0.04 -0.16 -0.11 0.00 -1.21 0.00 0.00 61.69 60.17 1ukl s THR 496 Cb 0.15 -1.20 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1ukl s THR 496 CO 0.73 0.00 0.34 -0.72 -2.21 0.00 0.00 174.62 172.76 1ukl s TYR 497 N -3.46 0.30 -0.08 9.09 -0.85 -1.26 -4.84 117.35 116.26 1ukl s TYR 497 Ca 0.05 -0.66 0.19 0.00 -0.52 0.00 0.00 57.07 56.13 1ukl s TYR 497 Cb -0.01 0.04 1.04 0.00 0.38 0.00 0.00 41.96 43.40 1ukl s TYR 497 CO -0.08 -0.77 1.54 0.00 -1.52 0.00 0.00 175.55 174.72 1ukl n LEU 499 N -2.21 0.51 -0.14 0.00 4.77 -1.26 -4.32 117.00 114.35 1ukl n LEU 499 Ca -0.01 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1ukl n LEU 499 Cb 0.15 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1ukl n LEU 499 CO 0.08 0.11 0.61 0.28 -1.33 0.00 0.00 177.39 177.14 1ukl h SER 500 N 0.00 -1.26 -0.93 -1.43 0.02 -1.70 0.83 113.55 109.08 1ukl h SER 500 Ca 0.00 0.21 0.27 0.00 -0.84 0.00 0.00 61.79 61.43 1ukl h SER 500 Cb 0.53 0.58 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 1ukl h SER 500 CO 0.00 -0.34 0.79 -1.28 -1.14 0.00 0.00 176.83 174.86 1ukl h SER 501 N -0.27 0.00 -0.00 3.07 0.87 -1.80 -1.47 113.55 113.95 1ukl h SER 501 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1ukl h SER 501 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1ukl h SER 501 CO -0.59 0.00 -0.07 -1.54 -0.53 0.00 0.00 176.83 174.10 1ukl n SER 502 N -3.88 0.60 -0.20 6.23 3.41 0.00 -4.81 113.62 114.96 1ukl n SER 502 Ca 0.20 -0.80 -0.10 0.00 -0.26 0.00 0.00 58.87 57.91 1ukl n SER 502 Cb 1.10 0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 65.55 1ukl n SER 502 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ukl h PHE 503 N 0.24 -1.43 -0.90 7.33 3.57 0.17 0.76 116.94 126.68 1ukl h PHE 503 Ca 0.00 0.08 0.23 0.00 3.53 0.00 0.00 57.97 61.81 1ukl h PHE 503 Cb 0.09 0.69 -0.16 0.00 2.79 0.00 0.00 35.95 39.36 1ukl h PHE 503 CO 0.00 -0.35 -0.01 1.49 -2.23 0.00 0.00 178.31 177.21 1ukl h GLU 504 N -0.19 0.05 -0.19 1.11 4.57 -1.86 0.17 114.58 118.24 1ukl h GLU 504 Ca 0.09 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 1ukl h GLU 504 Cb 0.42 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1ukl h GLU 504 CO -0.59 0.03 -0.58 1.25 -1.18 0.00 0.00 179.01 177.95 1ukl h LEU 505 N 0.05 0.66 0.33 1.64 5.85 -1.39 -2.18 115.31 120.27 1ukl h LEU 505 Ca 0.52 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1ukl h LEU 505 Cb 0.98 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1ukl h LEU 505 CO -0.83 1.10 -0.16 0.40 -0.34 0.00 0.00 178.44 178.61 1ukl h ILE 506 N 0.45 0.69 -0.44 4.05 2.04 0.15 -0.06 117.51 124.39 1ukl h ILE 506 Ca 0.00 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1ukl h ILE 506 Cb 1.14 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1ukl h ILE 506 CO 0.11 0.06 0.15 1.62 0.00 0.00 0.00 178.15 180.09 1ukl h VAL 507 N -0.60 1.18 0.62 1.67 3.04 -1.29 -0.27 116.25 120.60 1ukl h VAL 507 Ca -0.05 -0.60 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 1ukl h VAL 507 Cb 0.44 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1ukl h VAL 507 CO 0.07 0.23 -0.39 -0.61 -1.01 0.00 0.00 177.57 175.86 1ukl h GLN 508 N 0.63 -0.92 -0.63 4.17 4.15 -1.10 -1.12 115.11 120.30 1ukl h GLN 508 Ca 0.15 0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.67 1ukl h GLN 508 Cb 0.18 0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1ukl h GLN 508 CO -0.01 -0.62 0.38 -0.22 -1.93 0.00 0.00 178.83 176.43 1ukl h LYS 509 N -0.96 0.71 -0.83 1.69 1.63 -0.73 -1.70 116.57 116.38 1ukl h LYS 509 Ca -0.08 -0.04 0.12 0.00 -0.85 0.00 0.00 60.65 59.80 1ukl h LYS 509 Cb 0.78 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.19 1ukl h LYS 509 CO 0.07 0.47 0.54 -0.07 -3.45 0.00 0.00 179.45 177.01 1ukl h LEU 510 N 0.73 0.63 -0.27 5.20 3.38 -0.78 0.20 115.31 124.40 1ukl h LEU 510 Ca 0.26 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1ukl h LEU 510 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ukl h LEU 510 CO -0.12 0.35 0.10 -0.07 0.09 0.00 0.00 178.44 178.78 1ukl h LEU 511 N 0.68 0.38 -0.08 1.67 3.38 -0.27 0.34 115.31 121.41 1ukl h LEU 511 Ca 0.40 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1ukl h LEU 511 Cb 0.60 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1ukl h LEU 511 CO -0.16 0.46 -0.06 -0.33 0.09 0.00 0.00 178.44 178.44 1ukl h GLU 512 N 0.27 -0.06 -0.66 1.13 5.08 -0.76 -1.88 114.58 117.71 1ukl h GLU 512 Ca 0.09 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1ukl h GLU 512 Cb 0.21 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1ukl h GLU 512 CO -0.01 -0.04 0.30 1.15 -1.00 0.00 0.00 179.01 179.41 1ukl h THR 513 N -0.06 0.83 -0.98 1.13 2.02 -0.48 0.14 112.91 115.50 1ukl h THR 513 Ca 0.05 -0.18 0.23 0.00 0.77 0.00 0.00 66.41 67.28 1ukl h THR 513 Cb 0.14 0.26 -0.18 0.00 -1.74 0.00 0.00 68.15 66.63 1ukl h THR 513 CO -0.12 0.10 -0.11 0.74 0.37 0.00 0.00 175.52 176.49 1ukl h THR 514 N 0.52 0.03 -3.21 3.16 2.02 0.49 -3.25 112.91 112.67 1ukl h THR 514 Ca 0.32 -0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.93 1ukl h THR 514 Cb 0.35 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 1ukl h THR 514 CO -0.27 0.00 1.08 -1.81 0.37 0.00 0.00 175.52 174.89 1ukl s ASP 515 N -5.14 6.34 -0.26 4.18 1.01 0.48 -4.77 116.67 118.51 1ukl s ASP 515 Ca -0.14 0.92 -0.06 0.00 0.71 0.00 0.00 52.55 53.98 1ukl s ASP 515 Cb 0.28 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.80 1ukl s ASP 515 CO 0.78 -1.41 0.52 -0.13 0.21 0.00 0.00 175.17 175.13 1ukl s ARG 516 N 4.90 0.46 0.00 8.23 0.52 -1.23 -4.88 118.95 126.95 1ukl s ARG 516 Ca 0.62 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 1ukl s ARG 516 Cb -0.15 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.73 1ukl s ARG 516 CO 0.32 -0.38 0.63 -2.30 0.02 0.00 0.00 175.30 173.59 1ukl n PRO 517 N 5.41 0.00 0.00 3.54 -0.02 -1.26 0.44 135.00 143.11 1ukl n PRO 517 Ca -0.07 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1ukl n PRO 517 Cb 0.50 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1ukl n PRO 517 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ukl n ASP 518 N -1.13 0.39 0.26 2.55 5.68 -1.26 -4.88 116.55 118.16 1ukl n ASP 518 Ca 0.00 -1.16 0.03 0.00 -0.50 0.00 0.00 54.79 53.16 1ukl n ASP 518 Cb 0.33 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.35 1ukl n ASP 518 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ukl n GLY 519 N -0.08 -0.50 0.04 6.12 0.00 1.52 0.11 105.19 112.41 1ukl n GLY 519 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1ukl n GLY 519 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ukl n HIS 520 N -2.46 0.36 -2.72 1.61 8.25 -1.26 -0.38 115.22 118.63 1ukl n HIS 520 Ca 0.02 0.11 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1ukl n HIS 520 Cb 0.99 -0.63 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 1ukl n HIS 520 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1ukl s GLN 521 N -3.05 4.44 -1.92 -0.41 -0.21 0.31 -3.56 119.66 115.25 1ukl s GLN 521 Ca 0.12 1.36 0.00 0.00 0.02 0.00 0.00 55.36 56.85 1ukl s GLN 521 Cb 0.16 -3.52 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1ukl s GLN 521 CO 0.59 -0.25 0.00 0.09 -2.12 0.00 0.00 175.29 173.60 1ukl n ASN 522 N 4.76 -5.35 -0.60 5.90 3.02 -1.26 -1.77 115.26 119.95 1ukl n ASN 522 Ca 0.08 0.35 -0.08 0.00 -0.03 0.00 0.00 54.58 54.89 1ukl n ASN 522 Cb 0.49 -4.49 -0.03 0.00 -0.61 0.00 0.00 39.78 35.13 1ukl n ASN 522 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ukl n ASN 523 N -1.22 -5.50 -0.33 6.41 5.03 -1.23 -4.82 115.26 113.59 1ukl n ASN 523 Ca -0.20 0.20 0.29 0.00 0.87 0.00 0.00 54.58 55.74 1ukl n ASN 523 Cb 0.64 -3.70 0.50 0.00 -1.02 0.00 0.00 39.78 36.20 1ukl n ASN 523 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1ukl n LEU 524 N -0.90 0.20 0.08 3.41 -0.00 -0.73 -0.79 117.00 118.27 1ukl n LEU 524 Ca -0.08 1.14 -0.07 0.00 -0.00 0.00 0.00 56.01 57.00 1ukl n LEU 524 Cb 0.52 -0.56 -0.04 0.00 -0.00 0.00 0.00 43.42 43.33 1ukl n LEU 524 CO 0.12 -1.26 0.21 -0.09 -0.00 0.00 0.00 177.39 176.38 1ukl h ARG 525 N 0.00 -0.28 -0.85 1.96 9.65 -1.00 -1.47 114.38 122.40 1ukl h ARG 525 Ca 0.68 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.72 1ukl h ARG 525 Cb 2.05 0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 30.61 1ukl h ARG 525 CO -0.44 -0.05 0.44 0.77 2.80 0.00 0.00 179.97 183.49 1ukl h SER 526 N -1.03 0.54 -0.73 -3.80 0.02 -1.22 0.12 113.55 107.45 1ukl h SER 526 Ca -0.03 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1ukl h SER 526 Cb 0.37 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1ukl h SER 526 CO 0.05 0.23 0.21 0.28 -1.14 0.00 0.00 176.83 176.46 1ukl h SER 527 N 0.63 1.07 -0.46 3.07 0.02 -1.06 0.84 113.55 117.66 1ukl h SER 527 Ca 0.46 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ukl h SER 527 Cb 0.63 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1ukl h SER 527 CO -0.35 1.01 0.20 0.00 -1.14 0.00 0.00 176.83 176.54 1ukl h ALA 528 N 1.13 0.60 0.52 3.77 0.00 0.28 0.55 119.26 126.12 1ukl h ALA 528 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ukl h ALA 528 Cb 0.33 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ukl h ALA 528 CO -0.00 0.19 -0.25 1.88 0.00 0.00 0.00 179.25 181.07 1ukl h TYR 529 N 0.61 -0.65 -1.04 0.00 0.05 -0.84 0.27 116.97 115.37 1ukl h TYR 529 Ca 0.16 -0.02 0.27 0.00 0.05 0.00 0.00 58.73 59.19 1ukl h TYR 529 Cb 0.17 0.22 -0.12 0.00 1.01 0.00 0.00 36.73 38.01 1ukl h TYR 529 CO -0.00 -0.33 0.64 0.93 -1.05 0.00 0.00 178.16 178.35 1ukl h GLU 530 N -0.97 0.44 -0.25 4.88 3.07 -0.79 0.31 114.58 121.27 1ukl h GLU 530 Ca -0.07 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.60 1ukl h GLU 530 Cb 0.62 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1ukl h GLU 530 CO 0.12 0.29 -0.47 1.03 -1.40 0.00 0.00 179.01 178.57 1ukl h SER 531 N 0.45 0.85 -0.49 1.42 0.87 -0.58 -1.77 113.55 114.30 1ukl h SER 531 Ca 0.65 -0.54 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1ukl h SER 531 Cb 1.46 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1ukl h SER 531 CO -0.42 1.23 -0.04 0.25 -0.53 0.00 0.00 176.83 177.32 1ukl h LEU 532 N 0.50 0.88 -0.19 2.23 5.85 0.26 -0.05 115.31 124.80 1ukl h LEU 532 Ca 0.01 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1ukl h LEU 532 Cb 1.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1ukl h LEU 532 CO 0.11 0.99 0.04 0.24 -0.34 0.00 0.00 178.44 179.48 1ukl h MET 533 N 0.74 0.12 -0.71 1.25 2.86 -0.55 -0.94 114.93 117.71 1ukl h MET 533 Ca 0.13 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1ukl h MET 533 Cb 0.56 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1ukl h MET 533 CO 0.03 0.08 0.21 1.49 1.06 0.00 0.00 176.91 179.78 1ukl h GLU 534 N 0.12 1.10 0.00 1.72 4.57 -1.17 0.18 114.58 121.10 1ukl h GLU 534 Ca 0.08 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 1ukl h GLU 534 Cb 0.07 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1ukl h GLU 534 CO -0.10 0.94 -0.22 0.97 -1.18 0.00 0.00 179.01 179.42 1ukl h ILE 535 N 1.05 1.03 0.00 2.32 6.09 -0.49 -2.07 117.51 125.44 1ukl h ILE 535 Ca 0.23 -0.79 -0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1ukl h ILE 535 Cb 0.31 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.04 1ukl h ILE 535 CO -0.01 0.22 -0.00 0.58 -3.07 0.00 0.00 178.15 175.87 1ukl h VAL 536 N 0.00 1.24 -0.09 2.19 2.07 -0.41 -3.35 116.25 117.90 1ukl h VAL 536 Ca -0.00 -1.91 0.04 0.00 0.82 0.00 0.00 66.70 65.64 1ukl h VAL 536 Cb 0.42 2.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 1ukl h VAL 536 CO 0.03 0.42 -0.45 0.50 0.02 0.00 0.00 177.57 178.09 1ukl h LYS 537 N -0.99 -0.52 -4.09 1.57 3.64 -0.60 -3.05 116.57 112.52 1ukl h LYS 537 Ca -0.00 0.04 -0.74 0.00 -1.27 0.00 0.00 60.65 58.68 1ukl h LYS 537 Cb 0.69 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 32.49 1ukl h LYS 537 CO 0.00 -0.35 2.00 0.09 -2.27 0.00 0.00 179.45 178.93 1ukl n ASN 538 N -5.44 4.96 -4.26 4.20 3.02 -0.79 -4.95 115.26 111.99 1ukl n ASN 538 Ca -0.05 -3.02 -0.14 0.00 -0.03 0.00 0.00 54.58 51.33 1ukl n ASN 538 Cb 0.37 -1.55 -0.10 0.00 -0.61 0.00 0.00 39.78 37.89 1ukl n ASN 538 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ukl s SER 539 N 1.96 1.79 0.14 6.41 1.04 -1.15 -4.72 113.70 119.17 1ukl s SER 539 Ca 0.43 -1.03 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 1ukl s SER 539 Cb 0.06 -0.01 -0.07 0.00 0.10 0.00 0.00 66.02 66.10 1ukl s SER 539 CO -0.00 -0.35 0.63 0.00 0.98 0.00 0.00 173.24 174.50 1ukl s ALA 540 N -3.34 3.53 -2.00 5.32 0.00 -1.26 -4.82 121.76 119.18 1ukl s ALA 540 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1ukl s ALA 540 Cb 0.03 -2.70 0.05 0.00 0.00 0.00 0.00 23.12 20.50 1ukl s ALA 540 CO 0.01 0.38 0.40 0.36 0.00 0.00 0.00 175.76 176.92 1ukl n LYS 541 N 1.29 0.04 0.03 0.00 2.85 -0.70 -1.52 118.16 120.14 1ukl n LYS 541 Ca -0.07 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.30 1ukl n LYS 541 Cb 0.51 -1.35 -0.00 0.00 -0.65 0.00 0.00 35.03 33.53 1ukl n LYS 541 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ukl n ASP 542 N -0.85 0.59 -1.39 -5.58 5.75 -1.07 -4.02 116.55 109.97 1ukl n ASP 542 Ca 0.01 -0.17 0.04 0.00 -0.01 0.00 0.00 54.79 54.66 1ukl n ASP 542 Cb 0.00 0.88 0.30 0.00 -1.03 0.00 0.00 41.12 41.27 1ukl n ASP 542 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ukl h TYR 544 N 2.42 0.39 -0.13 0.00 3.20 -1.70 0.29 116.97 121.44 1ukl h TYR 544 Ca 0.08 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1ukl h TYR 544 Cb 1.79 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.99 1ukl h TYR 544 CO 0.86 0.02 0.23 -1.00 -1.64 0.00 0.00 178.16 176.63 1ukl h PRO 545 N 0.37 0.00 0.08 1.82 0.13 -1.91 0.24 132.00 132.72 1ukl h PRO 545 Ca 0.38 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.27 1ukl h PRO 545 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1ukl h PRO 545 CO -0.41 0.00 -1.13 0.00 -0.23 0.00 0.00 178.00 176.23 1ukl h ALA 546 N 1.66 0.22 0.00 -0.56 0.00 -0.79 -3.19 119.26 116.60 1ukl h ALA 546 Ca 0.06 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 54.01 1ukl h ALA 546 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ukl h ALA 546 CO -0.00 1.03 -0.47 0.28 0.00 0.00 0.00 179.25 180.09 1ukl h VAL 547 N 0.06 1.25 0.46 0.00 2.07 -0.25 -3.17 116.25 116.66 1ukl h VAL 547 Ca -0.09 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 1ukl h VAL 547 Cb 1.85 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1ukl h VAL 547 CO 0.18 0.46 -0.22 1.56 0.02 0.00 0.00 177.57 179.57 1ukl h GLN 548 N 0.00 -0.59 -1.22 1.57 4.20 -1.34 -2.15 115.11 115.58 1ukl h GLN 548 Ca -0.00 0.04 0.44 0.00 0.06 0.00 0.00 58.65 59.19 1ukl h GLN 548 Cb 0.88 0.13 -0.15 0.00 0.30 0.00 0.00 27.48 28.64 1ukl h GLN 548 CO 0.06 -0.39 0.75 0.87 -0.67 0.00 0.00 178.83 179.44 1ukl h LYS 549 N -0.72 0.03 0.09 1.46 1.57 -1.61 0.64 116.57 118.03 1ukl h LYS 549 Ca -0.06 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ukl h LYS 549 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1ukl h LYS 549 CO 0.10 0.02 -0.04 1.15 -0.57 0.00 0.00 179.45 180.11 1ukl h THR 550 N 0.03 1.03 -0.68 -0.16 2.02 -1.49 -2.55 112.91 111.10 1ukl h THR 550 Ca 0.86 -0.43 0.14 0.00 0.77 0.00 0.00 66.41 67.76 1ukl h THR 550 Cb 2.54 1.30 -0.11 0.00 -1.74 0.00 0.00 68.15 70.14 1ukl h THR 550 CO -0.57 0.10 0.07 0.74 0.37 0.00 0.00 175.52 176.23 1ukl h THR 551 N -0.32 0.49 0.29 3.16 2.02 0.97 0.57 112.91 120.09 1ukl h THR 551 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1ukl h THR 551 Cb 0.27 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1ukl h THR 551 CO 0.02 0.03 -0.31 -0.07 0.37 0.00 0.00 175.52 175.57 1ukl h LEU 552 N 0.18 -0.83 -1.38 2.58 3.38 -1.45 0.12 115.31 117.91 1ukl h LEU 552 Ca 0.37 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.62 1ukl h LEU 552 Cb 0.62 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 1ukl h LEU 552 CO -0.53 -0.43 0.61 0.58 0.09 0.00 0.00 178.44 178.76 1ukl h VAL 553 N -0.63 0.67 -0.02 1.22 2.07 -0.38 0.35 116.25 119.53 1ukl h VAL 553 Ca -0.01 -0.17 -0.26 0.00 0.82 0.00 0.00 66.70 67.08 1ukl h VAL 553 Cb 0.58 0.14 0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ukl h VAL 553 CO -0.07 0.09 -1.00 0.40 0.02 0.00 0.00 177.57 177.01 1ukl h ILE 554 N 0.49 1.29 -0.26 4.57 1.08 0.78 -2.53 117.51 122.94 1ukl h ILE 554 Ca 0.51 -2.24 -0.12 0.00 -0.39 0.00 0.00 64.86 62.62 1ukl h ILE 554 Cb 1.15 2.34 -0.01 0.00 -3.07 0.00 0.00 36.82 37.22 1ukl h ILE 554 CO -0.23 0.69 -0.33 0.24 -0.69 0.00 0.00 178.15 177.83 1ukl h MET 555 N 0.39 0.55 0.26 2.37 2.86 0.99 -0.10 114.93 122.25 1ukl h MET 555 Ca -0.12 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1ukl h MET 555 Cb 1.65 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.30 1ukl h MET 555 CO 0.20 0.82 -0.12 1.49 1.06 0.00 0.00 176.91 180.35 1ukl h GLU 556 N 0.47 -0.33 -0.31 1.72 4.81 -0.39 -2.12 114.58 118.44 1ukl h GLU 556 Ca 0.05 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1ukl h GLU 556 Cb 0.81 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1ukl h GLU 556 CO 0.07 -0.22 -0.15 0.00 -0.73 0.00 0.00 179.01 177.98 1ukl h ARG 557 N -0.35 0.54 -0.26 1.92 3.08 -1.33 -1.64 114.38 116.33 1ukl h ARG 557 Ca -0.04 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 1ukl h ARG 557 Cb 0.27 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ukl h ARG 557 CO 0.06 0.67 0.05 1.25 -1.07 0.00 0.00 179.97 180.93 1ukl h LEU 558 N 0.49 0.34 0.27 3.04 5.85 -0.79 -1.62 115.31 122.89 1ukl h LEU 558 Ca 0.09 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ukl h LEU 558 Cb 0.54 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ukl h LEU 558 CO 0.03 0.36 -0.13 1.56 -0.34 0.00 0.00 178.44 179.92 1ukl h GLN 559 N 0.37 -0.35 -1.04 1.25 4.20 -0.76 -2.63 115.11 116.16 1ukl h GLN 559 Ca 0.09 0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.09 1ukl h GLN 559 Cb 0.17 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 1ukl h GLN 559 CO -0.00 -0.11 0.68 0.37 -0.67 0.00 0.00 178.83 179.10 1ukl h GLN 560 N -1.04 0.33 -0.16 1.46 4.15 -1.24 0.17 115.11 118.78 1ukl h GLN 560 Ca -0.04 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.17 1ukl h GLN 560 Cb 0.39 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ukl h GLN 560 CO 0.06 0.22 -0.68 0.28 -1.93 0.00 0.00 178.83 176.77 1ukl h VAL 561 N 0.34 1.32 0.00 2.39 2.07 -1.35 -0.84 116.25 120.17 1ukl h VAL 561 Ca 0.58 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1ukl h VAL 561 Cb 1.57 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1ukl h VAL 561 CO -0.24 0.61 -0.13 -0.07 0.02 0.00 0.00 177.57 177.76 1ukl h LEU 562 N 0.45 0.00 0.00 2.57 3.38 -0.27 -0.99 115.31 120.45 1ukl h LEU 562 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1ukl h LEU 562 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1ukl h LEU 562 CO 0.13 0.13 -1.41 0.00 0.09 0.00 0.00 178.44 177.38 1ukl n GLN 563 N -4.05 0.62 0.00 1.13 10.64 -0.96 -3.81 117.38 120.95 1ukl n GLN 563 Ca -0.02 0.16 0.07 0.00 -1.83 0.00 0.00 57.00 55.37 1ukl n GLN 563 Cb 0.21 -1.78 0.40 0.00 -0.86 0.00 0.00 30.24 28.22 1ukl n GLN 563 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 1ukl n MET 564 N -2.79 0.59 0.06 2.61 1.56 -0.33 -3.34 117.12 115.48 1ukl n MET 564 Ca -0.08 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.22 1ukl n MET 564 Cb 0.77 -1.36 -0.03 0.00 2.15 0.00 0.00 33.22 34.76 1ukl n MET 564 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1ukl h GLU 565 N 0.00 0.40 -1.15 2.12 4.81 -1.60 -3.30 114.58 115.85 1ukl h GLU 565 Ca 0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1ukl h GLU 565 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ukl h GLU 565 CO 0.00 1.07 0.00 -1.13 -0.73 0.00 0.00 179.01 178.22 1ukl n SER 566 N -3.76 1.97 -0.12 1.04 3.41 -1.21 -3.01 113.62 111.93 1ukl n SER 566 Ca -0.06 -1.50 0.03 0.00 -0.26 0.00 0.00 58.87 57.08 1ukl n SER 566 Cb 0.80 -0.38 0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1ukl n SER 566 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ukl n HIS 567 N 0.53 0.00 -2.18 7.33 8.25 -1.24 -5.07 115.22 122.84 1ukl n HIS 567 Ca 0.00 -0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 56.61 1ukl n HIS 567 Cb 0.34 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1ukl n HIS 567 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ukl s ILE 568 N -1.10 3.63 0.00 1.59 1.01 -1.16 -4.93 121.20 120.24 1ukl s ILE 568 Ca 0.09 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.75 1ukl s ILE 568 Cb 0.08 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1ukl s ILE 568 CO 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.94 1ukl n GLN 569 N 5.50 0.00 -2.82 2.79 1.13 -1.26 -5.03 117.38 117.70 1ukl n GLN 569 Ca 0.14 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.86 1ukl n GLN 569 Cb 0.43 -0.20 -0.07 0.00 0.11 0.00 0.00 30.24 30.51 1ukl n GLN 569 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ukl s SER 570 N -4.59 6.98 0.60 1.08 0.01 -1.26 -4.89 113.70 111.63 1ukl s SER 570 Ca 0.00 1.70 0.29 0.00 1.31 0.00 0.00 55.95 59.25 1ukl s SER 570 Cb 0.00 -2.54 1.58 0.00 0.21 0.00 0.00 66.02 65.27 1ukl s SER 570 CO 0.00 -0.32 1.98 0.74 0.41 0.00 0.00 173.24 176.05 1ukl h THR 571 N 1.99 0.34 0.88 1.44 2.02 -2.01 0.32 112.91 117.90 1ukl h THR 571 Ca -0.49 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1ukl h THR 571 Cb 1.18 0.71 0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1ukl h THR 571 CO 0.62 0.00 -0.43 -1.28 0.37 0.00 0.00 175.52 174.80 1ukl h SER 572 N 0.00 -1.01 -1.43 4.18 0.87 -2.01 -2.86 113.55 111.28 1ukl h SER 572 Ca 0.13 0.03 0.46 0.00 -1.23 0.00 0.00 61.79 61.19 1ukl h SER 572 Cb 0.82 0.26 -0.12 0.00 -0.44 0.00 0.00 62.40 62.92 1ukl h SER 572 CO -0.00 -0.67 0.95 0.44 -0.53 0.00 0.00 176.83 177.02 1ukl h ASP 573 N -1.28 0.19 0.00 6.23 5.19 -0.72 -1.86 116.42 124.16 1ukl h ASP 573 Ca -0.12 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ukl h ASP 573 Cb 0.91 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1ukl h ASP 573 CO 0.20 -0.16 0.00 -1.14 -3.12 0.00 0.00 179.24 175.02 1ukl n ARG 574 N -4.56 0.00 -0.30 3.56 3.00 -1.08 -1.82 116.66 115.46 1ukl n ARG 574 Ca 0.38 0.22 0.22 0.00 -0.00 0.00 0.00 57.85 58.68 1ukl n ARG 574 Cb 1.54 -1.17 0.42 0.00 0.00 0.00 0.00 32.46 33.26 1ukl n ARG 574 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1ukl n ILE 575 N -1.16 -0.38 0.20 5.15 5.41 -0.76 0.13 119.36 127.95 1ukl n ILE 575 Ca 0.00 1.91 -0.14 0.00 1.00 0.00 0.00 62.75 65.53 1ukl n ILE 575 Cb 0.00 -2.97 -0.08 0.00 -0.71 0.00 0.00 39.64 35.89 1ukl n ILE 575 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ukl h GLN 576 N 0.00 -0.72 -0.62 0.38 1.08 -1.36 -1.34 115.11 112.55 1ukl h GLN 576 Ca 0.68 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 58.01 1ukl h GLN 576 Cb 1.66 0.16 -0.10 0.00 -0.05 0.00 0.00 27.48 29.15 1ukl h GLN 576 CO -0.77 -0.48 -0.50 0.35 -0.95 0.00 0.00 178.83 176.48 1ukl h PHE 577 N -0.74 -1.53 -1.02 2.96 3.57 0.48 0.67 116.94 121.33 1ukl h PHE 577 Ca -0.04 0.09 0.26 0.00 3.53 0.00 0.00 57.97 61.81 1ukl h PHE 577 Cb 0.66 0.75 -0.12 0.00 2.79 0.00 0.00 35.95 40.03 1ukl h PHE 577 CO -0.25 -0.44 0.62 -0.91 -2.23 0.00 0.00 178.31 175.11 1ukl h ASN 578 N -0.24 0.59 0.55 0.41 4.21 -1.11 0.32 115.58 120.31 1ukl h ASN 578 Ca 0.15 0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.76 1ukl h ASN 578 Cb 0.55 0.04 0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1ukl h ASN 578 CO -0.72 0.07 -0.27 -0.78 -1.29 0.00 0.00 177.43 174.45 1ukl h ASP 579 N 0.49 -0.63 -0.99 5.81 3.58 0.25 -1.38 116.42 123.55 1ukl h ASP 579 Ca 0.64 -0.01 0.19 0.00 0.42 0.00 0.00 57.03 58.28 1ukl h ASP 579 Cb 1.38 0.16 -0.10 0.00 1.72 0.00 0.00 39.33 42.50 1ukl h ASP 579 CO -0.43 -0.23 0.61 0.25 -2.88 0.00 0.00 179.24 176.56 1ukl h LEU 580 N -1.16 0.73 0.00 2.28 6.46 -0.39 0.25 115.31 123.47 1ukl h LEU 580 Ca -0.08 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1ukl h LEU 580 Cb 0.60 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1ukl h LEU 580 CO 0.12 0.26 0.00 1.67 -0.62 0.00 0.00 178.44 179.88 1ukl n GLN 581 N -4.71 0.00 -0.13 1.25 -0.06 0.11 -1.63 117.38 112.20 1ukl n GLN 581 Ca 0.23 0.59 -0.05 0.00 -2.00 0.00 0.00 57.00 55.76 1ukl n GLN 581 Cb 0.59 -1.48 0.02 0.00 -4.06 0.00 0.00 30.24 25.31 1ukl n GLN 581 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1ukl h SER 582 N 0.00 -0.62 -0.96 1.69 4.64 -0.60 -0.24 113.55 117.46 1ukl h SER 582 Ca 0.00 0.15 0.25 0.00 -0.47 0.00 0.00 61.79 61.73 1ukl h SER 582 Cb 0.00 0.35 -0.13 0.00 -0.31 0.00 0.00 62.40 62.31 1ukl h SER 582 CO 0.00 -0.21 0.49 -0.07 -0.87 0.00 0.00 176.83 176.17 1ukl h LEU 583 N -0.09 0.47 0.13 5.97 3.38 -0.49 0.87 115.31 125.55 1ukl h LEU 583 Ca 0.21 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1ukl h LEU 583 Cb 0.41 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ukl h LEU 583 CO -0.49 -0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 177.90 1ukl h LEU 584 N 0.44 -0.15 -0.50 1.67 3.38 -0.08 -1.21 115.31 118.84 1ukl h LEU 584 Ca 0.63 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.43 1ukl h LEU 584 Cb 1.26 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 1ukl h LEU 584 CO -0.54 0.19 -0.02 0.00 0.09 0.00 0.00 178.44 178.17 1ukl h ALA 586 N 1.46 1.59 -0.08 0.00 0.00 -0.78 0.48 119.26 121.93 1ukl h ALA 586 Ca 0.25 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1ukl h ALA 586 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ukl h ALA 586 CO -0.43 0.06 -0.61 1.15 0.00 0.00 0.00 179.25 179.41 1ukl h THR 587 N 0.85 1.38 -0.34 0.00 2.02 0.76 -2.74 112.91 114.84 1ukl h THR 587 Ca 0.54 -1.99 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 1ukl h THR 587 Cb 0.73 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1ukl h THR 587 CO -0.34 0.59 0.09 0.25 0.37 0.00 0.00 175.52 176.48 1ukl h LEU 588 N 0.20 0.51 0.27 2.58 5.85 0.45 -1.21 115.31 123.96 1ukl h LEU 588 Ca -0.01 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ukl h LEU 588 Cb 1.13 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1ukl h LEU 588 CO 0.10 0.61 -0.27 1.56 -0.34 0.00 0.00 178.44 180.10 1ukl h GLN 589 N 0.40 -0.55 -0.98 1.25 4.20 -0.46 -1.04 115.11 117.92 1ukl h GLN 589 Ca 0.11 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.92 1ukl h GLN 589 Cb 0.29 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.13 1ukl h GLN 589 CO 0.00 -0.36 0.63 -0.91 -0.67 0.00 0.00 178.83 177.52 1ukl h ASN 590 N -0.57 1.02 0.24 1.46 2.35 -1.38 -2.37 115.58 116.34 1ukl h ASN 590 Ca -0.01 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1ukl h ASN 590 Cb 0.52 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ukl h ASN 590 CO -0.05 0.66 -0.12 -0.37 -1.65 0.00 0.00 177.43 175.90 1ukl h VAL 591 N 1.16 0.80 -0.72 2.81 -1.51 -1.04 -3.30 116.25 114.46 1ukl h VAL 591 Ca 0.42 -0.70 0.15 0.00 -1.23 0.00 0.00 66.70 65.35 1ukl h VAL 591 Cb 0.14 1.18 -0.13 0.00 -2.13 0.00 0.00 31.29 30.35 1ukl h VAL 591 CO -0.17 0.14 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.16 1ukl h LEU 592 N -0.71 -0.50 -1.92 4.19 3.38 -0.94 0.38 115.31 119.20 1ukl h LEU 592 Ca -0.03 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ukl h LEU 592 Cb 0.48 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ukl h LEU 592 CO 0.05 -0.20 0.13 0.03 0.09 0.00 0.00 178.44 178.54 1ukl h ARG 593 N 0.05 0.00 -0.00 1.13 3.08 -1.51 -1.09 114.38 116.05 1ukl h ARG 593 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1ukl h ARG 593 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ukl h ARG 593 CO -0.68 0.00 -0.91 1.63 -1.07 0.00 0.00 179.97 178.94 1ukl n LYS 594 N -2.60 0.11 -3.44 0.04 4.01 0.13 -4.98 118.16 111.43 1ukl n LYS 594 Ca -0.02 -0.09 -0.31 0.00 -0.51 0.00 0.00 58.31 57.38 1ukl n LYS 594 Cb 0.17 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.15 1ukl n LYS 594 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1ukl s VAL 595 N -2.95 5.00 0.46 -0.18 -7.23 -0.41 -5.05 120.40 110.03 1ukl s VAL 595 Ca 0.09 0.29 -0.24 0.00 -1.81 0.00 0.00 61.98 60.31 1ukl s VAL 595 Cb 0.16 -3.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.38 1ukl s VAL 595 CO 0.83 -0.12 1.27 -1.10 -0.31 0.00 0.00 175.10 175.67 1ukl s GLN 596 N -2.99 3.66 0.34 4.82 -0.21 -1.26 -4.77 119.66 119.25 1ukl s GLN 596 Ca 0.45 2.05 0.14 0.00 0.02 0.00 0.00 55.36 58.02 1ukl s GLN 596 Cb -0.11 -2.49 1.09 0.00 1.00 0.00 0.00 33.01 32.50 1ukl s GLN 596 CO 0.24 -0.71 1.63 1.25 -2.12 0.00 0.00 175.29 175.57 1ukl h HIS 597 N 2.11 0.74 -0.09 0.91 -0.00 -1.96 0.36 115.15 117.21 1ukl h HIS 597 Ca -0.50 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 59.93 1ukl h HIS 597 Cb 1.26 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.49 1ukl h HIS 597 CO 0.51 -0.30 -0.04 1.96 -0.00 0.00 0.00 177.93 180.07 1ukl h GLN 598 N 0.18 -0.02 0.00 5.26 4.20 -1.95 -2.15 115.11 120.63 1ukl h GLN 598 Ca 0.73 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.40 1ukl h GLN 598 Cb 1.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 1ukl h GLN 598 CO -0.69 -0.01 -0.22 -0.44 -0.67 0.00 0.00 178.83 176.80 1ukl h ASP 599 N -0.02 0.00 0.28 1.46 3.32 -0.71 -2.98 116.42 117.77 1ukl h ASP 599 Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1ukl h ASP 599 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1ukl h ASP 599 CO -0.11 0.22 -0.13 0.00 -1.72 0.00 0.00 179.24 177.50 1ukl h ALA 600 N 1.78 -0.37 -0.53 3.45 0.00 -0.52 -2.62 119.26 120.45 1ukl h ALA 600 Ca -0.00 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.88 1ukl h ALA 600 Cb 0.58 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1ukl h ALA 600 CO 0.03 -0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 178.48 1ukl h LEU 601 N -0.53 -0.41 -0.09 0.00 3.38 -1.28 0.47 115.31 116.85 1ukl h LEU 601 Ca -0.04 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ukl h LEU 601 Cb 0.39 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1ukl h LEU 601 CO 0.06 -0.15 0.02 1.56 0.09 0.00 0.00 178.44 180.02 1ukl h GLN 602 N 0.03 0.06 -0.28 1.13 4.20 -1.53 -2.52 115.11 116.20 1ukl h GLN 602 Ca 0.26 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1ukl h GLN 602 Cb 0.40 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1ukl h GLN 602 CO -0.52 0.04 -0.02 0.82 -0.67 0.00 0.00 178.83 178.48 1ukl h ILE 603 N 0.06 1.18 -0.19 2.54 2.04 -0.99 -3.35 117.51 118.81 1ukl h ILE 603 Ca 0.04 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1ukl h ILE 603 Cb 0.03 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1ukl h ILE 603 CO -0.05 0.25 -0.11 -0.24 0.00 0.00 0.00 178.15 178.00 1ukl n SER 604 N -4.29 -0.20 -0.01 1.72 2.88 0.16 -1.62 113.62 112.26 1ukl n SER 604 Ca 0.01 0.64 -0.09 0.00 -1.33 0.00 0.00 58.87 58.10 1ukl n SER 604 Cb 0.24 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 1ukl n SER 604 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ukl h ASP 605 N 0.00 -0.63 0.01 -3.46 3.32 -1.72 -1.12 116.42 112.81 1ukl h ASP 605 Ca 0.03 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ukl h ASP 605 Cb 0.08 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ukl h ASP 605 CO -0.18 -0.25 -0.01 0.58 -1.72 0.00 0.00 179.24 177.67 1ukl h VAL 606 N -0.25 0.00 -0.95 -1.35 2.07 -1.57 -0.69 116.25 113.51 1ukl h VAL 606 Ca 0.11 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 1ukl h VAL 606 Cb 0.40 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.06 1ukl h VAL 606 CO -0.29 0.00 -0.56 0.52 0.02 0.00 0.00 177.57 177.26 1ukl n VAL 607 N -2.35 -0.64 -0.01 2.57 0.31 -0.64 0.59 118.33 118.16 1ukl n VAL 607 Ca -0.00 2.30 0.17 0.00 -0.01 0.00 0.00 64.34 66.80 1ukl n VAL 607 Cb 0.01 -2.85 0.62 0.00 -0.91 0.00 0.00 33.84 30.71 1ukl n VAL 607 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1ukl h MET 608 N 0.00 0.14 0.82 5.55 2.07 -1.15 0.20 114.93 122.56 1ukl h MET 608 Ca 0.16 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.74 1ukl h MET 608 Cb 0.40 -0.03 0.01 0.00 -1.87 0.00 0.00 31.60 30.10 1ukl h MET 608 CO -0.90 0.09 -0.40 0.00 1.07 0.00 0.00 176.91 176.78 1ukl h ALA 609 N 1.74 -1.11 -0.53 6.32 0.00 0.18 0.47 119.26 126.33 1ukl h ALA 609 Ca 0.25 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1ukl h ALA 609 Cb 0.79 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1ukl h ALA 609 CO -0.03 -1.05 0.08 0.77 0.00 0.00 0.00 179.25 179.02 1ukl h SER 610 N -1.26 -0.05 -0.41 0.00 0.02 -0.21 0.69 113.55 112.33 1ukl h SER 610 Ca -0.11 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1ukl h SER 610 Cb 0.86 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1ukl h SER 610 CO 0.19 -0.00 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.68 1ukl h LEU 611 N 0.21 0.83 -0.43 5.07 3.38 -0.60 0.71 115.31 124.48 1ukl h LEU 611 Ca 0.27 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1ukl h LEU 611 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ukl h LEU 611 CO -0.37 1.01 -0.08 0.25 0.09 0.00 0.00 178.44 179.34 1ukl h LEU 612 N 0.63 0.81 -0.35 1.67 5.85 0.53 -0.33 115.31 124.12 1ukl h LEU 612 Ca 0.10 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1ukl h LEU 612 Cb 0.67 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1ukl h LEU 612 CO 0.05 0.97 0.06 -0.09 -0.34 0.00 0.00 178.44 179.09 1ukl h ARG 613 N 0.63 0.57 0.00 1.25 9.65 0.50 0.14 114.38 127.13 1ukl h ARG 613 Ca 0.11 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1ukl h ARG 613 Cb 0.61 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1ukl h ARG 613 CO 0.04 0.65 -0.13 1.98 2.80 0.00 0.00 179.97 185.31 1ukl h MET 614 N 0.41 0.00 0.05 0.20 4.05 0.65 -1.25 114.93 119.04 1ukl h MET 614 Ca 0.11 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.25 1ukl h MET 614 Cb 0.35 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1ukl h MET 614 CO 0.01 0.13 -1.48 0.35 0.23 0.00 0.00 176.91 176.14 1ukl h PHE 615 N 0.00 0.20 0.00 1.39 3.04 -0.84 -3.28 116.94 117.45 1ukl h PHE 615 Ca -0.00 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.80 1ukl h PHE 615 Cb 0.34 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1ukl h PHE 615 CO 0.00 1.58 0.00 0.94 -2.02 0.00 0.00 178.31 178.81 1ukl n GLN 616 N -4.09 0.00 0.03 1.11 0.00 0.46 -3.17 117.38 111.72 1ukl n GLN 616 Ca -0.31 0.20 -0.11 0.00 -0.00 0.00 0.00 57.00 56.79 1ukl n GLN 616 Cb 0.81 -1.06 -0.04 0.00 0.00 0.00 0.00 30.24 29.95 1ukl n GLN 616 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ukl h SER 617 N 0.00 -0.85 0.00 1.69 0.87 -1.47 -1.82 113.55 111.97 1ukl h SER 617 Ca 0.00 0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1ukl h SER 617 Cb 0.00 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1ukl h SER 617 CO 0.00 -0.34 0.09 0.41 -0.53 0.00 0.00 176.83 176.46 1ukl n THR 618 N -5.39 1.35 -1.03 2.23 -1.04 -1.24 -4.18 114.28 104.98 1ukl n THR 618 Ca -0.04 -0.66 -0.24 0.00 -2.04 0.00 0.00 64.05 61.06 1ukl n THR 618 Cb 0.30 -1.71 0.11 0.00 -1.82 0.00 0.00 70.33 67.22 1ukl n THR 618 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ukl n ALA 619 N 2.73 5.52 -2.32 2.41 0.00 -0.69 -4.05 120.51 124.10 1ukl n ALA 619 Ca 0.19 -2.67 0.01 0.00 0.00 0.00 0.00 53.44 50.97 1ukl n ALA 619 Cb 0.41 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ukl n ALA 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukl n GLY 620 N -0.73 0.84 1.15 0.00 0.00 -1.26 -4.96 105.19 100.23 1ukl n GLY 620 Ca 0.52 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ukl n GLY 620 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ukl n SER 621 N 0.32 0.10 0.00 1.61 3.41 -1.26 -5.07 113.62 112.73 1ukl n SER 621 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1ukl n SER 621 Cb 0.98 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1ukl n SER 621 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ukl n GLY 622 N 3.20 3.15 0.18 5.00 0.00 -1.26 -4.83 105.19 110.63 1ukl n GLY 622 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 1ukl n GLY 622 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ukl h GLY 623 N 0.00 0.64 0.78 -0.02 0.00 -1.97 -3.22 103.07 99.27 1ukl h GLY 623 Ca 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 47.33 46.34 1ukl h GLY 623 CO 0.00 0.92 0.46 -2.08 0.00 0.00 0.00 176.54 175.84 1ukl h VAL 624 N 0.35 1.05 -0.12 4.60 2.07 -1.92 -3.12 116.25 119.17 1ukl h VAL 624 Ca -0.08 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1ukl h VAL 624 Cb 1.54 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1ukl h VAL 624 CO 0.17 0.16 -0.24 1.56 0.02 0.00 0.00 177.57 179.24 1ukl h GLN 625 N 0.87 -0.20 0.00 1.57 4.20 -1.85 -0.35 115.11 119.34 1ukl h GLN 625 Ca 0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1ukl h GLN 625 Cb 0.11 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ukl h GLN 625 CO -0.15 -0.14 0.19 -1.91 -0.67 0.00 0.00 178.83 176.16 1ukl n GLU 626 N -3.84 0.00 -0.08 1.46 0.00 -1.18 -0.36 120.64 116.65 1ukl n GLU 626 Ca -0.02 0.26 -0.12 0.00 0.00 0.00 0.00 57.16 57.28 1ukl n GLU 626 Cb 0.16 -1.69 -0.15 0.00 0.00 0.00 0.00 31.44 29.76 1ukl n GLU 626 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ukl n ASP 627 N -1.24 0.62 0.09 4.31 8.00 -0.18 -3.88 116.55 124.27 1ukl n ASP 627 Ca 0.00 0.09 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 1ukl n ASP 627 Cb 0.19 0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 41.62 1ukl n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ukl h ALA 628 N 0.80 0.26 -0.17 2.24 0.00 -0.25 -2.96 119.26 119.18 1ukl h ALA 628 Ca -0.49 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 53.56 1ukl h ALA 628 Cb 2.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1ukl h ALA 628 CO 0.03 1.06 0.10 -0.07 0.00 0.00 0.00 179.25 180.36 1ukl h LEU 629 N 0.06 0.20 -0.74 0.00 3.38 -1.59 -0.94 115.31 115.68 1ukl h LEU 629 Ca -0.07 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 57.98 1ukl h LEU 629 Cb 1.81 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 42.42 1ukl h LEU 629 CO 0.16 0.20 0.30 0.24 0.09 0.00 0.00 178.44 179.43 1ukl h MET 630 N 0.19 0.44 -0.44 1.13 2.86 -1.67 -0.14 114.93 117.31 1ukl h MET 630 Ca 0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ukl h MET 630 Cb 0.03 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1ukl h MET 630 CO -0.01 0.29 0.27 0.00 1.06 0.00 0.00 176.91 178.52 1ukl h ALA 631 N 1.53 0.56 0.15 6.32 0.00 -1.24 -2.20 119.26 124.37 1ukl h ALA 631 Ca 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ukl h ALA 631 Cb 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ukl h ALA 631 CO -0.38 0.05 -0.07 0.28 0.00 0.00 0.00 179.25 179.12 1ukl h VAL 632 N 0.58 0.87 -0.53 0.00 2.07 0.25 -1.05 116.25 118.45 1ukl h VAL 632 Ca 0.16 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1ukl h VAL 632 Cb -0.01 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 1ukl h VAL 632 CO -0.03 0.02 -0.39 0.28 0.02 0.00 0.00 177.57 177.47 1ukl h SER 633 N -0.25 -1.34 -0.55 0.57 0.02 -0.96 1.85 113.55 112.90 1ukl h SER 633 Ca -0.02 0.23 0.11 0.00 -0.84 0.00 0.00 61.79 61.27 1ukl h SER 633 Cb 0.19 0.62 -0.10 0.00 0.14 0.00 0.00 62.40 63.25 1ukl h SER 633 CO 0.03 -0.33 -0.03 0.74 -1.14 0.00 0.00 176.83 176.10 1ukl h THR 634 N -0.23 0.53 -0.41 -2.27 2.02 -1.17 0.16 112.91 111.54 1ukl h THR 634 Ca 0.19 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1ukl h THR 634 Cb 0.56 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1ukl h THR 634 CO -0.64 0.02 0.12 0.25 0.37 0.00 0.00 175.52 175.63 1ukl h LEU 635 N 0.09 0.59 -0.48 2.58 5.85 0.14 -2.55 115.31 121.54 1ukl h LEU 635 Ca 0.28 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1ukl h LEU 635 Cb 0.44 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1ukl h LEU 635 CO -0.49 0.65 0.13 0.58 -0.34 0.00 0.00 178.44 178.97 1ukl h VAL 636 N 0.51 0.79 -0.19 1.05 2.07 0.36 0.19 116.25 121.02 1ukl h VAL 636 Ca 0.13 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1ukl h VAL 636 Cb 0.27 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1ukl h VAL 636 CO -0.00 0.05 0.06 -0.08 0.02 0.00 0.00 177.57 177.62 1ukl h GLU 637 N 0.29 0.27 0.05 1.57 4.81 -0.45 0.48 114.58 121.59 1ukl h GLU 637 Ca 0.23 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 59.11 1ukl h GLU 637 Cb 0.28 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1ukl h GLU 637 CO -0.27 0.24 -1.85 0.28 -0.73 0.00 0.00 179.01 176.68 1ukl n VAL 638 N -4.44 1.67 0.07 0.32 0.31 -0.92 -4.17 118.33 111.17 1ukl n VAL 638 Ca -0.00 -0.74 -0.09 0.00 -0.01 0.00 0.00 64.34 63.50 1ukl n VAL 638 Cb 0.13 -1.29 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 1ukl n VAL 638 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ukl h LEU 639 N 0.03 0.09 0.00 7.52 3.38 -0.50 -3.46 115.31 122.37 1ukl h LEU 639 Ca -0.35 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ukl h LEU 639 Cb 2.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1ukl h LEU 639 CO 0.08 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.30 1ukl n GLY 640 N 1.40 0.99 0.14 0.83 0.00 0.17 -2.65 105.19 106.06 1ukl n GLY 640 Ca -0.03 0.38 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 1ukl n GLY 640 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ukl h GLY 641 N 0.00 0.43 1.56 -0.02 0.00 -1.79 -3.32 103.07 99.93 1ukl h GLY 641 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1ukl h GLY 641 CO 0.00 0.95 0.15 1.18 0.00 0.00 0.00 176.54 178.82 1ukl n GLU 642 N -3.57 0.08 0.07 4.80 4.71 -1.09 -0.91 120.64 124.75 1ukl n GLU 642 Ca -0.23 0.55 0.08 0.00 -0.01 0.00 0.00 57.16 57.55 1ukl n GLU 642 Cb 1.07 -1.92 0.37 0.00 -1.01 0.00 0.00 31.44 29.95 1ukl n GLU 642 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ukl n PHE 643 N -1.95 0.40 -0.09 -0.32 7.35 -1.25 -3.34 117.46 118.28 1ukl n PHE 643 Ca -0.01 0.18 0.25 0.00 -0.76 0.00 0.00 57.45 57.10 1ukl n PHE 643 Cb 0.17 -0.78 0.71 0.00 0.35 0.00 0.00 39.48 39.93 1ukl n PHE 643 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1ukl h LEU 644 N 0.00 0.00 -0.96 -2.13 5.85 -1.29 -1.56 115.31 115.21 1ukl h LEU 644 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1ukl h LEU 644 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ukl h LEU 644 CO 0.00 0.00 -0.41 0.07 -0.34 0.00 0.00 178.44 177.76 1ukl h LYS 645 N 0.00 0.00 0.00 1.25 2.10 -1.83 -2.97 116.57 115.11 1ukl h LYS 645 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 1ukl h LYS 645 Cb 1.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1ukl h LYS 645 CO -0.00 0.41 -0.46 1.88 -2.00 0.00 0.00 179.45 179.28 1ukl h TYR 646 N 0.00 0.00 -0.29 0.07 0.05 -1.55 -3.39 116.97 111.86 1ukl h TYR 646 Ca -0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 1ukl h TYR 646 Cb 0.90 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.56 1ukl h TYR 646 CO 0.00 0.00 -0.53 1.98 -1.05 0.00 0.00 178.16 178.56 1ukl h MET 647 N 0.00 -0.45 0.07 4.88 4.05 -1.46 -1.55 114.93 120.47 1ukl h MET 647 Ca 0.00 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1ukl h MET 647 Cb 0.76 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 1ukl h MET 647 CO 0.00 -0.30 -0.18 1.49 0.23 0.00 0.00 176.91 178.15 1ukl h GLU 648 N -0.46 -0.32 -0.53 0.39 4.81 -1.77 0.14 114.58 116.84 1ukl h GLU 648 Ca 0.07 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ukl h GLU 648 Cb 0.63 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1ukl h GLU 648 CO -0.53 -0.22 0.00 0.00 -0.73 0.00 0.00 179.01 177.54 1ukl n ALA 649 N -2.49 1.76 0.00 2.92 0.00 -0.89 -2.90 120.51 118.90 1ukl n ALA 649 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ukl n ALA 649 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1ukl n ALA 649 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ukl n PHE 650 N 0.26 0.00 -0.27 0.00 7.35 -0.43 -4.94 117.46 119.43 1ukl n PHE 650 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1ukl n PHE 650 Cb 0.13 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.07 1ukl n PHE 650 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1ukl n LYS 651 N -1.08 -0.07 -0.29 -4.13 3.00 0.35 -1.06 118.16 114.88 1ukl n LYS 651 Ca 0.00 1.16 0.10 0.00 -0.00 0.00 0.00 58.31 59.57 1ukl n LYS 651 Cb 0.06 -1.74 0.26 0.00 0.00 0.00 0.00 35.03 33.61 1ukl n LYS 651 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1ukl h PRO 652 N 0.00 0.37 -0.10 1.64 0.13 -1.88 -1.69 132.00 130.47 1ukl h PRO 652 Ca 0.36 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.45 1ukl h PRO 652 Cb 0.55 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1ukl h PRO 652 CO -0.77 0.25 -0.01 0.74 -0.23 0.00 0.00 178.00 177.98 1ukl h PHE 653 N 0.38 0.21 -0.38 1.56 0.04 -1.49 -0.93 116.94 116.32 1ukl h PHE 653 Ca 0.50 -0.04 0.11 0.00 2.80 0.00 0.00 57.97 61.34 1ukl h PHE 653 Cb 0.90 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1ukl h PHE 653 CO -0.17 0.47 0.32 1.25 -0.60 0.00 0.00 178.31 179.58 1ukl h LEU 654 N -0.12 0.00 -0.05 1.54 5.85 -1.38 0.59 115.31 121.74 1ukl h LEU 654 Ca 0.03 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1ukl h LEU 654 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1ukl h LEU 654 CO 0.01 0.00 -0.16 1.23 -0.34 0.00 0.00 178.44 179.18 1ukl h GLY 655 N 0.00 0.21 0.62 3.75 0.00 -0.72 -1.79 103.07 105.14 1ukl h GLY 655 Ca 0.18 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.30 1ukl h GLY 655 CO -0.00 0.25 0.28 -2.22 0.00 0.00 0.00 176.54 174.85 1ukl h ILE 656 N -0.35 0.91 -0.55 2.60 5.03 0.41 -1.75 117.51 123.80 1ukl h ILE 656 Ca -0.01 -0.18 -0.09 0.00 -0.12 0.00 0.00 64.86 64.46 1ukl h ILE 656 Cb 0.78 0.33 -0.02 0.00 -3.03 0.00 0.00 36.82 34.88 1ukl h ILE 656 CO 0.03 0.10 -0.00 1.23 -0.68 0.00 0.00 178.15 178.83 1ukl h GLY 657 N 0.53 1.02 1.88 5.37 0.00 -1.10 0.42 103.07 111.19 1ukl h GLY 657 Ca 0.27 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1ukl h GLY 657 CO -0.20 0.67 -0.56 1.41 0.00 0.00 0.00 176.54 177.85 1ukl h LEU 658 N 0.87 0.14 0.16 3.11 3.38 -0.94 -3.25 115.31 118.79 1ukl h LEU 658 Ca 0.16 -0.08 -0.34 0.00 0.09 0.00 0.00 57.88 57.71 1ukl h LEU 658 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ukl h LEU 658 CO 0.03 0.67 -1.72 0.11 0.09 0.00 0.00 178.44 177.62 1ukl h LYS 659 N 0.10 0.34 -5.13 1.13 1.57 -1.24 -3.43 116.57 109.92 1ukl h LYS 659 Ca -0.00 -0.59 -0.19 0.00 -1.87 0.00 0.00 60.65 58.01 1ukl h LYS 659 Cb 1.02 0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.56 1ukl h LYS 659 CO 0.08 1.24 0.54 -1.71 -0.57 0.00 0.00 179.45 179.03 1ukl n ASN 660 N -3.54 1.75 -0.61 0.86 4.05 0.13 -4.67 115.26 113.23 1ukl n ASN 660 Ca -0.23 -2.55 0.08 0.00 0.45 0.00 0.00 54.58 52.33 1ukl n ASN 660 Cb 1.07 -1.55 0.27 0.00 1.23 0.00 0.00 39.78 40.80 1ukl n ASN 660 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ukl n TYR 661 N 16.76 0.34 0.26 1.20 0.18 -1.26 -3.59 117.16 131.05 1ukl n TYR 661 Ca 0.43 -0.17 0.16 0.00 1.88 0.00 0.00 57.90 60.20 1ukl n TYR 661 Cb 0.46 0.00 0.58 0.00 -0.38 0.00 0.00 39.34 40.00 1ukl n TYR 661 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ukl h ALA 662 N 3.87 1.00 -2.07 -3.48 0.00 -1.97 -3.22 119.26 113.40 1ukl h ALA 662 Ca 0.00 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 1ukl h ALA 662 Cb 0.49 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.87 1ukl h ALA 662 CO 0.00 0.02 -0.97 0.39 0.00 0.00 0.00 179.25 178.69 1ukl n GLU 663 N -3.11 1.38 -0.58 0.00 1.02 -1.24 -4.97 120.64 113.14 1ukl n GLU 663 Ca 0.01 -3.72 0.45 0.00 -0.02 0.00 0.00 57.16 53.88 1ukl n GLU 663 Cb 0.36 -1.63 0.70 0.00 -0.02 0.00 0.00 31.44 30.85 1ukl n GLU 663 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1ukl n TYR 664 N 0.94 0.18 -0.19 -0.32 0.18 -1.22 0.56 117.16 117.28 1ukl n TYR 664 Ca 0.25 0.18 0.00 0.00 1.88 0.00 0.00 57.90 60.21 1ukl n TYR 664 Cb 0.51 -0.62 0.10 0.00 -0.38 0.00 0.00 39.34 38.96 1ukl n TYR 664 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 1ukl h GLN 665 N 0.00 0.18 -0.32 -3.48 1.08 -1.92 0.61 115.11 111.25 1ukl h GLN 665 Ca 0.83 -0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 57.84 1ukl h GLN 665 Cb 3.17 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 30.56 1ukl h GLN 665 CO -0.12 0.12 -0.49 0.28 -0.95 0.00 0.00 178.83 177.67 1ukl h VAL 666 N 0.19 1.27 -0.77 -0.54 2.07 -0.22 -2.32 116.25 115.94 1ukl h VAL 666 Ca 0.31 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1ukl h VAL 666 Cb 0.47 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1ukl h VAL 666 CO -0.44 0.55 0.44 0.00 0.02 0.00 0.00 177.57 178.14 1ukl h LEU 668 N 1.06 -0.30 -0.42 0.00 3.38 0.32 0.20 115.31 119.56 1ukl h LEU 668 Ca 0.27 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.35 1ukl h LEU 668 Cb 0.01 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1ukl h LEU 668 CO -0.05 -0.15 0.09 0.00 0.09 0.00 0.00 178.44 178.42 1ukl h ALA 669 N 0.79 0.46 -0.42 1.53 0.00 -0.94 -1.32 119.26 119.37 1ukl h ALA 669 Ca 0.04 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1ukl h ALA 669 Cb 0.23 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1ukl h ALA 669 CO -0.10 -0.31 0.04 0.00 0.00 0.00 0.00 179.25 178.87 1ukl h ALA 670 N 1.32 0.42 -0.80 0.00 0.00 -0.25 -0.35 119.26 119.59 1ukl h ALA 670 Ca 0.20 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1ukl h ALA 670 Cb 0.24 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1ukl h ALA 670 CO -0.26 -0.36 0.52 0.28 0.00 0.00 0.00 179.25 179.43 1ukl h VAL 671 N 0.15 1.10 -0.31 0.00 2.07 0.14 -2.06 116.25 117.35 1ukl h VAL 671 Ca 0.20 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1ukl h VAL 671 Cb 0.28 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1ukl h VAL 671 CO -0.31 0.17 -0.49 1.23 0.02 0.00 0.00 177.57 178.19 1ukl h GLY 672 N 0.95 0.96 0.94 2.17 0.00 -0.14 -3.03 103.07 104.91 1ukl h GLY 672 Ca 0.33 -1.09 0.03 0.00 0.00 0.00 0.00 47.33 46.60 1ukl h GLY 672 CO -0.10 0.97 0.65 -2.00 0.00 0.00 0.00 176.54 176.07 1ukl h LEU 673 N 0.66 1.11 0.06 3.11 6.46 -0.67 0.85 115.31 126.89 1ukl h LEU 673 Ca 0.02 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1ukl h LEU 673 Cb 1.10 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.72 1ukl h LEU 673 CO 0.11 0.77 -0.46 0.58 -0.62 0.00 0.00 178.44 178.83 1ukl h VAL 674 N 1.29 0.10 -0.42 1.05 2.07 -1.27 0.80 116.25 119.87 1ukl h VAL 674 Ca 0.38 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.95 1ukl h VAL 674 Cb -0.05 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1ukl h VAL 674 CO -0.11 0.00 0.28 1.23 0.02 0.00 0.00 177.57 178.99 1ukl h GLY 675 N -0.65 0.44 2.00 2.17 0.00 -1.39 0.56 103.07 106.20 1ukl h GLY 675 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1ukl h GLY 675 CO -0.30 0.12 -0.20 -0.55 0.00 0.00 0.00 176.54 175.61 1ukl h ASP 676 N 0.37 0.00 0.47 0.19 3.32 0.17 -2.75 116.42 118.19 1ukl h ASP 676 Ca 0.18 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.93 1ukl h ASP 676 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1ukl h ASP 676 CO -0.04 0.20 -1.60 -0.07 -1.72 0.00 0.00 179.24 176.01 1ukl h LEU 677 N 0.00 0.23 -0.87 1.55 3.38 0.55 -3.20 115.31 116.95 1ukl h LEU 677 Ca -0.00 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.67 1ukl h LEU 677 Cb 0.55 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1ukl h LEU 677 CO 0.03 1.32 0.52 0.00 0.09 0.00 0.00 178.44 180.40 1ukl h ARG 679 N 0.91 0.03 0.00 0.00 3.08 -1.64 -2.55 114.38 114.21 1ukl h ARG 679 Ca 0.40 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.25 1ukl h ARG 679 Cb 0.28 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1ukl h ARG 679 CO -0.21 0.96 -0.76 0.00 -1.07 0.00 0.00 179.97 178.89 1ukl h ALA 680 N 1.02 0.55 0.00 0.04 0.00 -1.44 -3.41 119.26 116.01 1ukl h ALA 680 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1ukl h ALA 680 Cb 1.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1ukl h ALA 680 CO 0.13 0.90 -0.30 1.28 0.00 0.00 0.00 179.25 181.26 1ukl n LEU 681 N -3.25 1.35 0.00 0.00 4.77 -0.26 -2.53 117.00 117.07 1ukl n LEU 681 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1ukl n LEU 681 Cb 0.83 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ukl n LEU 681 CO 0.43 -0.61 0.00 0.00 -1.33 0.00 0.00 177.39 175.89 1ukl n GLN 682 N -3.77 0.00 0.00 3.23 6.02 -0.96 -4.26 117.38 117.64 1ukl n GLN 682 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1ukl n GLN 682 Cb 0.16 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.42 1ukl n GLN 682 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ukl n SER 683 N 0.20 0.00 -0.37 1.08 2.88 0.48 0.59 113.62 118.48 1ukl n SER 683 Ca 0.00 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 57.90 1ukl n SER 683 Cb 0.00 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.19 1ukl n SER 683 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1ukl h ASN 684 N 0.00 0.07 0.42 -3.46 -1.24 -1.84 0.50 115.58 110.02 1ukl h ASN 684 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1ukl h ASN 684 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1ukl h ASN 684 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1ukl n ILE 685 N -4.23 1.17 -0.34 2.57 3.06 2.49 -3.67 119.36 120.41 1ukl n ILE 685 Ca 0.28 0.31 0.20 0.00 -2.50 0.00 0.00 62.75 61.04 1ukl n ILE 685 Cb 1.29 -1.13 0.43 0.00 0.54 0.00 0.00 39.64 40.77 1ukl n ILE 685 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1ukl h LEU 686 N 0.00 0.60 -0.77 9.51 3.38 -0.15 -1.03 115.31 126.85 1ukl h LEU 686 Ca 0.00 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1ukl h LEU 686 Cb 0.21 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 40.90 1ukl h LEU 686 CO 0.00 0.00 -0.36 -0.65 0.09 0.00 0.00 178.44 177.52 1ukl h PRO 687 N 0.47 -0.09 0.00 1.13 0.11 -1.81 -1.99 132.00 129.82 1ukl h PRO 687 Ca 0.68 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.80 1ukl h PRO 687 Cb 1.43 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1ukl h PRO 687 CO -0.52 -0.06 -0.45 0.74 -0.21 0.00 0.00 178.00 177.50 1ukl h PHE 688 N -0.09 0.00 -0.85 0.65 -1.00 -1.51 -3.38 116.94 110.76 1ukl h PHE 688 Ca 0.28 0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.20 1ukl h PHE 688 Cb 0.57 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.99 1ukl h PHE 688 CO -0.74 0.00 -0.31 0.00 -1.61 0.00 0.00 178.31 175.65 1ukl h ASP 690 N 0.00 -1.62 0.03 0.00 3.32 -1.75 0.51 116.42 116.91 1ukl h ASP 690 Ca 0.31 0.22 0.03 0.00 0.02 0.00 0.00 57.03 57.61 1ukl h ASP 690 Cb 0.53 0.67 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 1ukl h ASP 690 CO -0.85 -0.32 -0.22 -0.33 -1.72 0.00 0.00 179.24 175.80 1ukl h GLU 691 N -0.29 -0.36 0.70 3.56 5.08 -1.12 -2.93 114.58 119.22 1ukl h GLU 691 Ca 0.07 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ukl h GLU 691 Cb 0.48 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ukl h GLU 691 CO -0.55 -0.24 -0.45 0.28 -1.00 0.00 0.00 179.01 177.05 1ukl h VAL 692 N -0.37 0.00 -0.87 3.13 2.07 -0.17 -0.80 116.25 119.24 1ukl h VAL 692 Ca 0.05 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.79 1ukl h VAL 692 Cb 0.44 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.05 1ukl h VAL 692 CO -0.19 0.00 -0.01 0.24 0.02 0.00 0.00 177.57 177.63 1ukl h MET 693 N -1.09 0.06 0.26 1.57 2.86 -0.01 0.25 114.93 118.83 1ukl h MET 693 Ca -0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1ukl h MET 693 Cb 0.88 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1ukl h MET 693 CO 0.08 0.04 -0.12 0.37 1.06 0.00 0.00 176.91 178.33 1ukl h GLN 694 N 0.06 -0.33 -0.89 1.72 -0.00 -1.43 0.84 115.11 115.08 1ukl h GLN 694 Ca 0.49 0.02 0.22 0.00 -0.00 0.00 0.00 58.65 59.39 1ukl h GLN 694 Cb 0.92 0.08 -0.13 0.00 0.00 0.00 0.00 27.48 28.35 1ukl h GLN 694 CO -0.80 0.03 0.38 1.25 0.00 0.00 0.00 178.83 179.68 1ukl h LEU 695 N -0.81 0.30 0.37 -2.39 6.46 -0.14 0.28 115.31 119.37 1ukl h LEU 695 Ca -0.04 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1ukl h LEU 695 Cb 0.51 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1ukl h LEU 695 CO 0.06 -0.02 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.61 1ukl h LEU 696 N 0.38 -0.42 -1.54 2.25 3.38 -0.49 -2.98 115.31 115.88 1ukl h LEU 696 Ca 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1ukl h LEU 696 Cb 1.07 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ukl h LEU 696 CO -0.54 0.01 0.28 -0.07 0.09 0.00 0.00 178.44 178.21 1ukl h LEU 697 N -0.97 0.00 0.04 1.67 3.38 0.12 0.19 115.31 119.74 1ukl h LEU 697 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ukl h LEU 697 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ukl h LEU 697 CO 0.08 0.00 -0.02 -0.08 0.09 0.00 0.00 178.44 178.51 1ukl h GLU 698 N 0.00 -0.05 -0.61 1.13 4.81 -0.34 -3.10 114.58 116.41 1ukl h GLU 698 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1ukl h GLU 698 Cb 0.57 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1ukl h GLU 698 CO 0.00 0.47 0.20 -0.91 -0.73 0.00 0.00 179.01 178.03 1ukl h ASN 699 N -0.61 0.86 -0.03 1.04 4.21 -0.56 0.26 115.58 120.74 1ukl h ASN 699 Ca -0.01 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.38 1ukl h ASN 699 Cb 0.55 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1ukl h ASN 699 CO 0.01 0.80 0.04 -0.07 -1.29 0.00 0.00 177.43 176.92 1ukl h LEU 700 N 0.90 0.00 0.00 1.61 3.38 -1.45 -3.14 115.31 116.60 1ukl h LEU 700 Ca 0.20 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.88 1ukl h LEU 700 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1ukl h LEU 700 CO -0.01 0.00 -1.67 0.61 0.09 0.00 0.00 178.44 177.46 1ukl n GLY 701 N -1.34 -0.71 3.70 0.83 0.00 -0.32 -4.86 105.19 102.50 1ukl n GLY 701 Ca -0.02 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ukl n GLY 701 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ukl s ASN 702 N -7.01 6.41 -0.32 1.61 0.01 0.76 -4.87 114.94 111.52 1ukl s ASN 702 Ca -0.32 2.80 0.09 0.00 -0.71 0.00 0.00 52.86 54.73 1ukl s ASN 702 Cb 0.09 -2.58 0.73 0.00 0.41 0.00 0.00 41.25 39.90 1ukl s ASN 702 CO 0.53 -1.00 1.79 -0.62 -1.51 0.00 0.00 177.10 176.30 1ukl n GLU 703 N 5.11 3.67 0.05 -0.60 1.02 -1.26 -4.05 120.64 124.58 1ukl n GLU 703 Ca 0.17 -3.00 -0.10 0.00 -0.02 0.00 0.00 57.16 54.21 1ukl n GLU 703 Cb 0.37 -2.20 -0.13 0.00 -0.02 0.00 0.00 31.44 29.46 1ukl n GLU 703 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1ukl h ASN 704 N 2.60 0.12 -3.41 1.62 2.35 -1.92 -3.46 115.58 113.49 1ukl h ASN 704 Ca 0.27 -0.15 -0.54 0.00 -0.55 0.00 0.00 56.30 55.33 1ukl h ASN 704 Cb 2.33 -0.04 0.09 0.00 0.05 0.00 0.00 38.32 40.75 1ukl h ASN 704 CO 0.74 1.12 0.83 1.33 -1.65 0.00 0.00 177.43 179.80 1ukl n VAL 705 N -3.33 1.29 -1.74 2.81 0.24 -1.26 -4.94 118.33 111.40 1ukl n VAL 705 Ca -0.07 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 1ukl n VAL 705 Cb 0.99 -1.93 -0.01 0.00 -1.47 0.00 0.00 33.84 31.42 1ukl n VAL 705 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1ukl n HIS 706 N 1.64 2.78 0.29 6.34 -0.00 -1.26 -4.89 115.22 120.12 1ukl n HIS 706 Ca 0.07 0.37 0.16 0.00 0.46 0.00 0.00 57.72 58.78 1ukl n HIS 706 Cb 0.37 -2.54 0.86 0.00 -0.12 0.00 0.00 29.99 28.55 1ukl n HIS 706 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1ukl h ARG 707 N 3.83 0.00 -0.64 1.57 0.11 -1.96 -2.46 114.38 114.83 1ukl h ARG 707 Ca -0.48 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.56 1ukl h ARG 707 Cb 1.24 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 1ukl h ARG 707 CO 0.72 0.06 0.25 0.66 0.10 0.00 0.00 179.97 181.76 1ukl h SER 708 N 0.00 0.86 0.01 0.08 4.64 -2.01 -2.28 113.55 114.85 1ukl h SER 708 Ca -0.00 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1ukl h SER 708 Cb 0.26 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1ukl h SER 708 CO 0.01 0.77 -0.09 0.58 -0.87 0.00 0.00 176.83 177.23 1ukl h VAL 709 N 0.92 1.14 0.84 0.95 2.07 -1.82 -3.29 116.25 117.05 1ukl h VAL 709 Ca 0.22 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1ukl h VAL 709 Cb 0.18 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ukl h VAL 709 CO -0.02 0.18 -0.49 0.50 0.02 0.00 0.00 177.57 177.76 1ukl h LYS 710 N 0.18 -1.19 -0.97 1.57 3.64 -1.49 -2.95 116.57 115.36 1ukl h LYS 710 Ca 0.04 0.08 0.26 0.00 -1.27 0.00 0.00 60.65 59.76 1ukl h LYS 710 Cb 0.27 0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1ukl h LYS 710 CO 0.01 -0.79 0.67 -1.35 -2.27 0.00 0.00 179.45 175.72 1ukl h PRO 711 N -1.23 0.21 -0.75 1.90 0.11 -1.68 0.53 132.00 131.09 1ukl h PRO 711 Ca -0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1ukl h PRO 711 Cb 0.98 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 1ukl h PRO 711 CO 0.13 0.14 0.41 1.96 -0.21 0.00 0.00 178.00 180.43 1ukl h GLN 712 N 0.22 1.04 0.78 1.05 1.08 -1.64 -2.46 115.11 115.17 1ukl h GLN 712 Ca 0.50 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.55 1ukl h GLN 712 Cb 1.58 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 28.81 1ukl h GLN 712 CO -0.13 0.76 -0.37 0.82 -0.95 0.00 0.00 178.83 178.96 1ukl h ILE 713 N 1.05 0.03 -0.90 2.54 2.04 0.15 -1.48 117.51 120.94 1ukl h ILE 713 Ca 0.27 -0.23 0.23 0.00 1.00 0.00 0.00 64.86 66.13 1ukl h ILE 713 Cb 0.02 0.03 -0.13 0.00 -0.74 0.00 0.00 36.82 36.01 1ukl h ILE 713 CO -0.04 0.00 0.39 -0.07 0.00 0.00 0.00 178.15 178.43 1ukl h LEU 714 N -1.26 0.32 -0.47 1.44 4.07 -1.48 0.50 115.31 118.43 1ukl h LEU 714 Ca -0.11 0.16 0.01 0.00 0.08 0.00 0.00 57.88 58.02 1ukl h LEU 714 Cb 0.81 0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.66 1ukl h LEU 714 CO 0.18 -0.02 0.30 -1.28 -1.08 0.00 0.00 178.44 176.54 1ukl h SER 715 N 0.38 0.51 0.23 -0.43 0.87 -1.34 -2.20 113.55 111.57 1ukl h SER 715 Ca 0.57 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.11 1ukl h SER 715 Cb 1.10 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1ukl h SER 715 CO -0.54 0.36 -0.08 1.62 -0.53 0.00 0.00 176.83 177.67 1ukl h VAL 716 N 0.61 0.55 0.00 2.23 3.04 0.11 -1.85 116.25 120.95 1ukl h VAL 716 Ca 0.18 -0.34 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1ukl h VAL 716 Cb -0.04 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1ukl h VAL 716 CO -0.06 0.08 -0.01 -0.26 -1.01 0.00 0.00 177.57 176.31 1ukl h PHE 717 N 0.00 0.00 0.00 3.17 0.04 -0.67 0.21 116.94 119.70 1ukl h PHE 717 Ca -0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1ukl h PHE 717 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1ukl h PHE 717 CO 0.00 0.01 -0.56 0.78 -0.60 0.00 0.00 178.31 177.94 1ukl h GLY 718 N 0.04 0.00 1.65 -1.45 0.00 -1.41 -2.13 103.07 99.77 1ukl h GLY 718 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1ukl h GLY 718 CO 0.00 0.00 -0.71 -0.55 0.00 0.00 0.00 176.54 175.28 1ukl h ASP 719 N 0.00 0.41 0.05 0.19 3.32 -1.00 -2.79 116.42 116.59 1ukl h ASP 719 Ca -0.01 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1ukl h ASP 719 Cb 1.40 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1ukl h ASP 719 CO 0.06 0.99 -0.02 0.40 -1.72 0.00 0.00 179.24 178.95 1ukl h ILE 720 N 0.23 1.25 -0.92 0.35 2.04 -1.17 -2.85 117.51 116.45 1ukl h ILE 720 Ca -0.03 -1.05 0.11 0.00 1.00 0.00 0.00 64.86 64.90 1ukl h ILE 720 Cb 1.27 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 39.21 1ukl h ILE 720 CO 0.12 0.26 0.59 0.00 0.00 0.00 0.00 178.15 179.12 1ukl h ALA 721 N 0.37 1.65 0.00 1.87 0.00 -1.42 -0.65 119.26 121.07 1ukl h ALA 721 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ukl h ALA 721 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ukl h ALA 721 CO 0.01 0.15 -0.39 -0.07 0.00 0.00 0.00 179.25 178.95 1ukl h LEU 722 N 0.88 0.00 0.00 0.00 3.38 -1.47 -0.23 115.31 117.87 1ukl h LEU 722 Ca 0.44 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.24 1ukl h LEU 722 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1ukl h LEU 722 CO -0.20 0.39 -1.19 0.00 0.09 0.00 0.00 178.44 177.53 1ukl h ALA 723 N 1.61 0.64 -0.01 1.53 0.00 -0.91 -3.36 119.26 118.77 1ukl h ALA 723 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1ukl h ALA 723 Cb 0.70 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ukl h ALA 723 CO 0.05 0.96 -0.02 0.44 0.00 0.00 0.00 179.25 180.68 1ukl n ILE 724 N -3.04 0.00 0.00 0.00 -5.35 -0.62 0.18 119.36 110.53 1ukl n ILE 724 Ca -0.07 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1ukl n ILE 724 Cb 0.85 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 39.95 1ukl n ILE 724 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ukl n GLY 725 N 0.61 2.19 0.34 3.28 0.00 -0.10 -1.34 105.19 110.16 1ukl n GLY 725 Ca 0.06 0.41 0.21 0.00 0.00 0.00 0.00 46.02 46.69 1ukl n GLY 725 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ukl h GLY 726 N 0.00 0.00 2.00 -0.02 0.00 -1.86 -1.70 103.07 101.49 1ukl h GLY 726 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1ukl h GLY 726 CO 0.00 0.00 -0.26 -2.09 0.00 0.00 0.00 176.54 174.19 1ukl h GLU 727 N 0.00 0.00 -0.01 4.80 4.57 -1.59 -3.08 114.58 119.27 1ukl h GLU 727 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1ukl h GLU 727 Cb 0.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1ukl h GLU 727 CO -0.00 0.26 0.03 0.35 -1.18 0.00 0.00 179.01 178.47 1ukl h PHE 728 N 0.00 0.00 -1.17 0.92 3.57 -1.44 -2.50 116.94 116.32 1ukl h PHE 728 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.83 1ukl h PHE 728 Cb 0.82 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 1ukl h PHE 728 CO 0.00 0.00 0.80 -0.22 -2.23 0.00 0.00 178.31 176.66 1ukl h LYS 729 N 0.00 0.17 -0.57 1.11 1.63 -1.73 0.81 116.57 118.00 1ukl h LYS 729 Ca 0.01 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1ukl h LYS 729 Cb 0.06 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.58 1ukl h LYS 729 CO -0.00 0.11 0.18 -0.22 -3.45 0.00 0.00 179.45 176.08 1ukl h LYS 730 N 0.18 0.34 -0.01 1.90 3.64 -1.72 -2.83 116.57 118.07 1ukl h LYS 730 Ca 0.63 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1ukl h LYS 730 Cb 2.04 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1ukl h LYS 730 CO -0.19 0.22 -0.59 0.66 -2.27 0.00 0.00 179.45 177.29 1ukl n TYR 731 N -5.03 0.00 -0.32 1.91 4.01 0.25 -4.55 117.16 113.42 1ukl n TYR 731 Ca 0.08 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.99 1ukl n TYR 731 Cb 0.26 -0.03 0.37 0.00 -0.31 0.00 0.00 39.34 39.63 1ukl n TYR 731 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ukl h LEU 732 N 1.44 0.42 0.00 7.72 6.46 -0.30 -3.17 115.31 127.87 1ukl h LEU 732 Ca 0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1ukl h LEU 732 Cb 0.63 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1ukl h LEU 732 CO 0.00 -0.03 0.00 1.21 -0.62 0.00 0.00 178.44 179.00 1ukl n GLU 733 N -5.03 0.00 0.11 1.25 2.13 -1.26 -2.02 120.64 115.82 1ukl n GLU 733 Ca 0.26 0.49 -0.13 0.00 0.66 0.00 0.00 57.16 58.44 1ukl n GLU 733 Cb 0.77 -1.25 -0.06 0.00 0.27 0.00 0.00 31.44 31.16 1ukl n GLU 733 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1ukl h VAL 734 N 0.00 0.67 -0.75 6.31 -1.51 -1.90 -2.94 116.25 116.14 1ukl h VAL 734 Ca 0.00 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.61 1ukl h VAL 734 Cb 0.00 0.67 -0.14 0.00 -2.13 0.00 0.00 31.29 29.69 1ukl h VAL 734 CO 0.00 0.00 -0.25 0.58 -1.23 0.00 0.00 177.57 176.67 1ukl h VAL 735 N -0.31 0.19 -0.86 7.19 2.07 -1.65 0.25 116.25 123.13 1ukl h VAL 735 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1ukl h VAL 735 Cb 0.30 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 1ukl h VAL 735 CO -0.05 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 178.03 1ukl h LEU 736 N -0.04 0.75 -0.26 2.57 3.38 -1.23 0.14 115.31 120.61 1ukl h LEU 736 Ca 0.34 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 58.12 1ukl h LEU 736 Cb 0.57 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ukl h LEU 736 CO -0.79 0.44 -0.80 0.78 0.09 0.00 0.00 178.44 178.16 1ukl h ASN 737 N 0.82 0.67 0.15 -0.43 2.35 -0.53 -2.79 115.58 115.82 1ukl h ASN 737 Ca 0.40 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1ukl h ASN 737 Cb 0.45 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1ukl h ASN 737 CO -0.17 1.23 -0.07 0.74 -1.65 0.00 0.00 177.43 177.51 1ukl h THR 738 N 0.36 0.91 -0.96 2.81 2.02 0.11 -0.91 112.91 117.26 1ukl h THR 738 Ca -0.05 -0.24 0.18 0.00 0.77 0.00 0.00 66.41 67.06 1ukl h THR 738 Cb 1.41 1.06 -0.09 0.00 -1.74 0.00 0.00 68.15 68.79 1ukl h THR 738 CO 0.15 0.06 0.61 -0.07 0.37 0.00 0.00 175.52 176.63 1ukl h LEU 739 N -0.32 0.67 -0.36 2.58 3.38 -0.78 0.16 115.31 120.64 1ukl h LEU 739 Ca -0.02 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1ukl h LEU 739 Cb 0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ukl h LEU 739 CO 0.03 0.28 -0.30 -0.61 0.09 0.00 0.00 178.44 177.94 1ukl h GLN 740 N 0.68 0.83 0.17 1.13 4.15 -1.17 0.17 115.11 121.07 1ukl h GLN 740 Ca 0.51 -0.42 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1ukl h GLN 740 Cb 0.90 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1ukl h GLN 740 CO -0.27 1.05 -0.20 0.37 -1.93 0.00 0.00 178.83 177.84 1ukl h GLN 741 N 0.62 -0.40 -0.61 1.69 4.15 0.62 -1.92 115.11 119.26 1ukl h GLN 741 Ca 0.06 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1ukl h GLN 741 Cb 0.87 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 1ukl h GLN 741 CO 0.08 -0.27 0.34 0.00 -1.93 0.00 0.00 178.83 177.05 1ukl h ALA 742 N 0.34 0.78 -0.68 3.38 0.00 -0.92 -2.96 119.26 119.20 1ukl h ALA 742 Ca 0.01 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1ukl h ALA 742 Cb 0.41 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1ukl h ALA 742 CO -0.07 0.29 0.29 0.66 0.00 0.00 0.00 179.25 180.42 1ukl h SER 743 N 0.83 0.34 -0.06 0.00 4.64 -0.21 -0.73 113.55 118.35 1ukl h SER 743 Ca 0.21 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1ukl h SER 743 Cb 0.03 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ukl h SER 743 CO -0.04 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1ukl n GLN 744 N -4.94 1.22 -0.74 4.77 10.64 -0.76 -4.90 117.38 122.67 1ukl n GLN 744 Ca 0.11 -0.34 -0.32 0.00 -1.83 0.00 0.00 57.00 54.62 1ukl n GLN 744 Cb 0.30 -1.25 0.15 0.00 -0.86 0.00 0.00 30.24 28.58 1ukl n GLN 744 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ukl n ALA 745 N -0.38 -1.58 -2.94 2.61 0.00 -0.28 -5.03 120.51 112.91 1ukl n ALA 745 Ca 0.11 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1ukl n ALA 745 Cb 0.13 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 1ukl n ALA 745 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ukl s GLN 746 N -4.19 0.74 0.14 0.00 -0.21 -1.26 -5.10 119.66 109.79 1ukl s GLN 746 Ca 0.63 -0.56 -0.14 0.00 0.02 0.00 0.00 55.36 55.31 1ukl s GLN 746 Cb -0.22 0.31 0.02 0.00 1.00 0.00 0.00 33.01 34.12 1ukl s GLN 746 CO 0.62 -0.23 0.37 0.14 -2.12 0.00 0.00 175.29 174.07 1ukl s VAL 747 N -2.51 0.07 -0.60 1.09 -7.23 -1.26 -5.09 120.40 104.87 1ukl s VAL 747 Ca -0.05 -0.84 -0.27 0.00 -1.81 0.00 0.00 61.98 59.00 1ukl s VAL 747 Cb -0.01 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1ukl s VAL 747 CO -0.03 -0.33 1.58 -1.81 -0.31 0.00 0.00 175.10 174.19 1ukl s ASP 748 N -2.85 5.81 0.00 4.85 1.01 -1.26 -4.81 116.67 119.41 1ukl s ASP 748 Ca 0.07 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.56 1ukl s ASP 748 Cb 0.02 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1ukl s ASP 748 CO -0.08 -1.98 0.41 0.29 0.21 0.00 0.00 175.17 174.02 1ukl n LYS 749 N 8.97 0.31 -0.03 8.23 5.02 -1.26 -1.90 118.16 137.49 1ukl n LYS 749 Ca 0.14 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.44 1ukl n LYS 749 Cb 0.50 -1.35 0.03 0.00 -0.02 0.00 0.00 35.03 34.19 1ukl n LYS 749 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ukl n SER 750 N 1.18 2.06 -3.63 4.39 7.64 -1.26 -4.77 113.62 119.23 1ukl n SER 750 Ca 0.00 -1.87 -0.28 0.00 1.01 0.00 0.00 58.87 57.74 1ukl n SER 750 Cb 0.15 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 1ukl n SER 750 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ukl s ASP 751 N -0.88 3.04 0.00 6.43 2.15 -0.80 -5.04 116.67 121.57 1ukl s ASP 751 Ca 0.05 -3.35 0.00 0.00 0.43 0.00 0.00 52.55 49.68 1ukl s ASP 751 Cb 0.03 -0.98 0.00 0.00 -0.30 0.00 0.00 42.92 41.66 1ukl s ASP 751 CO 0.03 -0.14 0.03 0.33 -0.17 0.00 0.00 175.17 175.25 1ukl n PHE 752 N 2.55 0.00 0.00 -5.34 7.35 -1.26 0.65 117.46 121.41 1ukl n PHE 752 Ca 0.24 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 1ukl n PHE 752 Cb 0.41 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.24 1ukl n PHE 752 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1ukl n ASP 753 N -0.40 0.00 0.00 -2.13 4.64 -1.26 0.99 116.55 118.39 1ukl n ASP 753 Ca 0.00 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.48 1ukl n ASP 753 Cb 0.00 0.00 0.34 0.00 -1.04 0.00 0.00 41.12 40.42 1ukl n ASP 753 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 1ukl n MET 754 N -2.93 0.16 0.05 -0.67 2.81 2.90 -0.22 117.12 119.22 1ukl n MET 754 Ca 0.00 0.17 -0.22 0.00 -1.81 0.00 0.00 57.70 55.85 1ukl n MET 754 Cb 0.00 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 30.87 1ukl n MET 754 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ukl h VAL 755 N 0.00 0.82 -0.12 2.03 2.07 5.01 -2.94 116.25 123.13 1ukl h VAL 755 Ca 0.00 -2.46 -0.08 0.00 0.82 0.00 0.00 66.70 64.98 1ukl h VAL 755 Cb 0.15 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1ukl h VAL 755 CO 0.00 0.87 -0.23 -0.78 0.02 0.00 0.00 177.57 177.45 1ukl h ASP 756 N 0.09 0.41 0.45 0.57 1.82 -1.38 -1.51 116.42 116.88 1ukl h ASP 756 Ca -0.37 -0.56 -0.02 0.00 -0.39 0.00 0.00 57.03 55.69 1ukl h ASP 756 Cb 2.07 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.97 1ukl h ASP 756 CO 0.14 0.89 -0.23 0.22 -1.61 0.00 0.00 179.24 178.64 1ukl h TYR 757 N -0.06 -0.61 -0.64 0.28 3.20 -0.75 0.41 116.97 118.81 1ukl h TYR 757 Ca 0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1ukl h TYR 757 Cb 0.82 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 1ukl h TYR 757 CO 0.10 -0.37 0.12 1.25 -1.64 0.00 0.00 178.16 177.63 1ukl h LEU 758 N -0.63 -0.03 -0.78 2.82 7.12 -1.54 -0.37 115.31 121.90 1ukl h LEU 758 Ca -0.06 0.13 -0.11 0.00 0.13 0.00 0.00 57.88 57.97 1ukl h LEU 758 Cb 0.50 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 1ukl h LEU 758 CO 0.09 -0.02 -0.27 0.78 -0.13 0.00 0.00 178.44 178.89 1ukl h ASN 759 N 0.24 0.63 -0.38 1.25 2.35 -1.05 0.14 115.58 118.77 1ukl h ASN 759 Ca 0.34 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1ukl h ASN 759 Cb 0.54 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1ukl h ASN 759 CO -0.45 0.88 0.13 -0.33 -1.65 0.00 0.00 177.43 176.00 1ukl h GLU 760 N 0.53 0.65 0.09 0.81 5.08 0.25 0.53 114.58 122.53 1ukl h GLU 760 Ca 0.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ukl h GLU 760 Cb 0.74 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ukl h GLU 760 CO 0.06 0.58 -0.04 1.25 -1.00 0.00 0.00 179.01 179.85 1ukl h LEU 761 N 0.64 -0.10 -1.13 1.33 5.85 -0.60 0.09 115.31 121.38 1ukl h LEU 761 Ca 0.15 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1ukl h LEU 761 Cb 0.21 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1ukl h LEU 761 CO -0.01 0.37 0.59 0.03 -0.34 0.00 0.00 178.44 179.09 1ukl h ARG 762 N -0.62 1.12 0.00 1.25 2.47 -0.36 0.26 114.38 118.49 1ukl h ARG 762 Ca -0.01 -0.07 -0.18 0.00 -1.26 0.00 0.00 59.98 58.46 1ukl h ARG 762 Cb 0.50 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1ukl h ARG 762 CO 0.02 0.74 -0.83 1.49 0.56 0.00 0.00 179.97 181.95 1ukl h GLU 763 N 1.15 0.10 -0.13 0.04 4.81 0.05 -2.81 114.58 117.78 1ukl h GLU 763 Ca 0.35 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1ukl h GLU 763 Cb -0.02 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1ukl h GLU 763 CO -0.10 0.87 -0.28 1.03 -0.73 0.00 0.00 179.01 179.80 1ukl h SER 764 N 0.05 0.48 0.46 1.04 0.87 -0.29 -2.93 113.55 113.24 1ukl h SER 764 Ca -0.02 -0.56 -0.02 0.00 -1.23 0.00 0.00 61.79 59.95 1ukl h SER 764 Cb 1.45 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1ukl h SER 764 CO 0.12 0.95 -0.27 0.00 -0.53 0.00 0.00 176.83 177.10 1ukl h LEU 766 N -0.69 0.51 0.06 0.00 3.38 -1.59 -0.18 115.31 116.79 1ukl h LEU 766 Ca -0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ukl h LEU 766 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ukl h LEU 766 CO 0.07 0.18 -0.03 -0.33 0.09 0.00 0.00 178.44 178.41 1ukl h GLU 767 N 0.49 -0.08 -0.34 1.13 5.08 -1.25 -1.87 114.58 117.74 1ukl h GLU 767 Ca 0.52 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.93 1ukl h GLU 767 Cb 1.18 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1ukl h GLU 767 CO -0.25 0.15 0.12 0.00 -1.00 0.00 0.00 179.01 178.03 1ukl h ALA 768 N 0.62 0.39 -0.06 3.43 0.00 -0.49 0.14 119.26 123.29 1ukl h ALA 768 Ca -0.01 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ukl h ALA 768 Cb 0.27 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1ukl h ALA 768 CO 0.01 -0.27 -0.27 1.88 0.00 0.00 0.00 179.25 180.61 1ukl h TYR 769 N 0.27 -0.72 -0.33 0.00 0.05 -1.21 0.06 116.97 115.09 1ukl h TYR 769 Ca 0.15 0.03 0.07 0.00 0.05 0.00 0.00 58.73 59.03 1ukl h TYR 769 Cb 0.12 0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.10 1ukl h TYR 769 CO -0.14 -0.35 -0.23 1.15 -1.05 0.00 0.00 178.16 177.54 1ukl h THR 770 N -0.37 0.38 -0.14 -2.88 2.02 -0.64 0.65 112.91 111.93 1ukl h THR 770 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1ukl h THR 770 Cb 0.49 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1ukl h THR 770 CO -0.28 0.00 0.10 1.23 0.37 0.00 0.00 175.52 176.94 1ukl h GLY 771 N -0.19 0.06 0.30 2.16 0.00 -0.17 -0.68 103.07 104.55 1ukl h GLY 771 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1ukl h GLY 771 CO -0.45 0.02 -0.15 -2.22 0.00 0.00 0.00 176.54 173.75 1ukl h ILE 772 N 0.06 0.00 -0.59 2.60 2.04 0.10 0.46 117.51 122.18 1ukl h ILE 772 Ca 0.06 -0.56 0.12 0.00 1.00 0.00 0.00 64.86 65.48 1ukl h ILE 772 Cb 0.18 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.15 1ukl h ILE 772 CO -0.01 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.52 1ukl h VAL 773 N -0.97 0.33 -0.10 1.67 2.07 -0.87 0.61 116.25 118.99 1ukl h VAL 773 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1ukl h VAL 773 Cb 0.31 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1ukl h VAL 773 CO 0.07 0.00 -0.18 1.56 0.02 0.00 0.00 177.57 179.04 1ukl h GLN 774 N -0.06 -0.23 -0.88 1.57 4.20 -1.18 0.13 115.11 118.66 1ukl h GLN 774 Ca 0.27 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.14 1ukl h GLN 774 Cb 0.48 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.25 1ukl h GLN 774 CO -0.63 -0.16 0.57 0.78 -0.67 0.00 0.00 178.83 178.72 1ukl h GLY 775 N -0.24 1.15 1.33 3.46 0.00 0.12 -1.78 103.07 107.11 1ukl h GLY 775 Ca 0.09 -0.29 -0.28 0.00 0.00 0.00 0.00 47.33 46.85 1ukl h GLY 775 CO -0.24 0.09 -1.47 1.41 0.00 0.00 0.00 176.54 176.33 1ukl h LEU 776 N 0.66 0.20 -1.74 3.11 3.38 -0.70 -3.28 115.31 116.94 1ukl h LEU 776 Ca 0.44 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1ukl h LEU 776 Cb 0.73 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ukl h LEU 776 CO -0.20 1.24 -0.10 0.50 0.09 0.00 0.00 178.44 179.98 1ukl h LYS 777 N 0.03 0.04 0.00 1.13 3.64 -0.22 -3.37 116.57 117.83 1ukl h LYS 777 Ca -0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ukl h LYS 777 Cb 1.96 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1ukl h LYS 777 CO 0.13 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 177.86 1ukl n GLY 778 N -1.20 -0.86 2.86 5.01 0.00 -0.72 -3.05 105.19 107.23 1ukl n GLY 778 Ca -0.02 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1ukl n GLY 778 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ukl s ASP 779 N -4.00 0.72 -0.11 1.61 2.15 -1.26 -4.88 116.67 110.90 1ukl s ASP 779 Ca 0.00 -0.85 0.04 0.00 0.43 0.00 0.00 52.55 52.17 1ukl s ASP 779 Cb 0.00 0.89 0.13 0.00 -0.30 0.00 0.00 42.92 43.65 1ukl s ASP 779 CO 0.00 -0.32 0.86 0.00 -0.17 0.00 0.00 175.17 175.55 1ukl n GLN 780 N 4.93 0.45 -3.54 4.34 6.02 -1.26 -5.02 117.38 123.30 1ukl n GLN 780 Ca 0.04 -0.62 -0.05 0.00 -0.01 0.00 0.00 57.00 56.37 1ukl n GLN 780 Cb 0.48 0.34 0.00 0.00 1.02 0.00 0.00 30.24 32.09 1ukl n GLN 780 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ukl n GLU 781 N -0.51 -0.81 0.00 -1.09 -0.58 -1.26 -4.64 120.64 111.76 1ukl n GLU 781 Ca -0.12 -0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.27 1ukl n GLU 781 Cb 0.62 0.40 0.00 0.00 -0.57 0.00 0.00 31.44 31.90 1ukl n GLU 781 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1ukl n ASN 782 N 0.50 0.39 -2.79 1.62 0.23 -1.26 -5.10 115.26 108.85 1ukl n ASN 782 Ca -0.02 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.00 1ukl n ASN 782 Cb 0.07 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1ukl n ASN 782 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1ukl n VAL 783 N -0.15-11.24 -1.71 3.53 0.31 -1.26 -4.89 118.33 102.92 1ukl n VAL 783 Ca 0.00 1.49 -0.43 0.00 -0.01 0.00 0.00 64.34 65.39 1ukl n VAL 783 Cb 0.00 -6.82 -0.03 0.00 -0.91 0.00 0.00 33.84 26.08 1ukl n VAL 783 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1ukl n HIS 784 N 0.43 2.60 0.13 3.52 -0.00 -1.17 -4.84 115.22 115.88 1ukl n HIS 784 Ca 0.03 0.20 0.13 0.00 0.46 0.00 0.00 57.72 58.55 1ukl n HIS 784 Cb 0.17 -2.60 0.32 0.00 -0.12 0.00 0.00 29.99 27.76 1ukl n HIS 784 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1ukl h PRO 785 N 5.69 0.00 -0.85 1.57 0.11 -1.90 -2.11 132.00 134.51 1ukl h PRO 785 Ca -0.45 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.77 1ukl h PRO 785 Cb 1.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1ukl h PRO 785 CO 0.87 0.00 0.48 -0.44 -0.21 0.00 0.00 178.00 178.70 1ukl h ASP 786 N 0.00 0.66 -0.08 -2.05 3.32 -1.88 -1.94 116.42 114.45 1ukl h ASP 786 Ca 0.18 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1ukl h ASP 786 Cb 2.05 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 41.53 1ukl h ASP 786 CO -0.00 0.35 0.38 -0.37 -1.72 0.00 0.00 179.24 177.88 1ukl h VAL 787 N 0.76 0.07 0.00 -1.35 -1.51 -1.53 -0.04 116.25 112.65 1ukl h VAL 787 Ca 0.43 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.86 1ukl h VAL 787 Cb 0.46 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1ukl h VAL 787 CO -0.28 0.00 -0.16 0.24 -1.23 0.00 0.00 177.57 176.14 1ukl h MET 788 N 0.00 0.00 -0.88 5.19 2.86 -1.59 -2.75 114.93 117.75 1ukl h MET 788 Ca 0.04 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1ukl h MET 788 Cb 0.80 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 1ukl h MET 788 CO -0.00 0.16 0.57 -0.07 1.06 0.00 0.00 176.91 178.63 1ukl h LEU 789 N 0.00 0.78 -0.84 1.22 3.38 -1.18 0.24 115.31 118.92 1ukl h LEU 789 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ukl h LEU 789 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ukl h LEU 789 CO 0.02 0.46 0.00 1.33 0.09 0.00 0.00 178.44 180.34 1ukl n VAL 790 N -4.53 0.19 -0.36 1.22 0.24 -1.04 -4.09 118.33 109.95 1ukl n VAL 790 Ca 0.15 -0.27 0.02 0.00 -2.04 0.00 0.00 64.34 62.20 1ukl n VAL 790 Cb 0.31 0.19 0.17 0.00 -1.47 0.00 0.00 33.84 33.05 1ukl n VAL 790 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1ukl h GLN 791 N 1.60 1.16 -0.61 7.34 -0.00 -0.58 -2.47 115.11 121.55 1ukl h GLN 791 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 1ukl h GLN 791 Cb 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 27.48 27.54 1ukl h GLN 791 CO 0.00 0.77 0.32 -1.35 0.00 0.00 0.00 178.83 178.56 1ukl h PRO 792 N 1.19 0.87 0.00 -2.39 0.11 -1.74 -2.87 132.00 127.16 1ukl h PRO 792 Ca 0.42 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 1ukl h PRO 792 Cb 0.11 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1ukl h PRO 792 CO -0.15 0.68 -0.23 0.00 -0.21 0.00 0.00 178.00 178.08 1ukl h ARG 793 N 0.84 0.00 -1.24 1.05 2.47 -1.73 -3.22 114.38 112.54 1ukl h ARG 793 Ca 0.21 0.00 0.39 0.00 -1.26 0.00 0.00 59.98 59.32 1ukl h ARG 793 Cb 0.08 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.28 1ukl h ARG 793 CO -0.03 0.23 0.80 0.28 0.56 0.00 0.00 179.97 181.81 1ukl h VAL 794 N 0.00 0.23 0.10 2.04 2.07 -1.24 0.27 116.25 119.72 1ukl h VAL 794 Ca -0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1ukl h VAL 794 Cb 0.54 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1ukl h VAL 794 CO 0.03 0.03 -0.05 -0.08 0.02 0.00 0.00 177.57 177.52 1ukl h GLU 795 N 0.17 -0.12 0.33 1.57 4.57 -1.76 -2.65 114.58 116.68 1ukl h GLU 795 Ca 0.76 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.94 1ukl h GLU 795 Cb 2.27 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.87 1ukl h GLU 795 CO -0.38 0.24 -0.35 0.35 -1.18 0.00 0.00 179.01 177.69 1ukl h PHE 796 N -0.52 -0.94 -0.01 0.92 3.57 -0.77 -3.15 116.94 116.04 1ukl h PHE 796 Ca -0.01 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ukl h PHE 796 Cb 0.43 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 1ukl h PHE 796 CO 0.05 -0.49 -0.46 0.82 -2.23 0.00 0.00 178.31 176.00 1ukl h ILE 797 N -0.71 0.00 0.00 1.41 2.04 -1.03 0.57 117.51 119.79 1ukl h ILE 797 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ukl h ILE 797 Cb 0.65 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ukl h ILE 797 CO -0.08 0.00 0.36 0.18 0.00 0.00 0.00 178.15 178.61 1ukl n LEU 798 N -5.01 0.12 0.00 1.44 4.77 -1.00 -2.15 117.00 115.17 1ukl n LEU 798 Ca -0.06 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1ukl n LEU 798 Cb 0.34 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ukl n LEU 798 CO 0.10 -0.37 0.01 -1.20 -1.33 0.00 0.00 177.39 174.60 1ukl n SER 799 N -1.58 0.00 -0.08 -1.43 7.64 0.20 -3.74 113.62 114.63 1ukl n SER 799 Ca -0.00 0.03 0.08 0.00 1.01 0.00 0.00 58.87 59.98 1ukl n SER 799 Cb 0.37 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.70 1ukl n SER 799 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1ukl n PHE 800 N -0.20 0.24 -0.28 1.43 7.35 -0.91 0.66 117.46 125.74 1ukl n PHE 800 Ca 0.00 0.24 -0.06 0.00 -0.76 0.00 0.00 57.45 56.87 1ukl n PHE 800 Cb 0.00 -0.68 0.06 0.00 0.35 0.00 0.00 39.48 39.21 1ukl n PHE 800 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 1ukl h ILE 801 N 0.00 1.26 0.52 -2.13 3.07 -1.72 -3.04 117.51 115.46 1ukl h ILE 801 Ca 0.19 -0.78 -0.02 0.00 1.55 0.00 0.00 64.86 65.81 1ukl h ILE 801 Cb 0.54 0.32 -0.01 0.00 -0.27 0.00 0.00 36.82 37.39 1ukl h ILE 801 CO -0.16 0.32 -0.40 -0.78 -1.05 0.00 0.00 178.15 176.09 1ukl h ASP 802 N 1.12 -1.04 -0.81 2.16 3.58 2.05 0.20 116.42 123.68 1ukl h ASP 802 Ca 0.26 0.07 0.19 0.00 0.42 0.00 0.00 57.03 57.98 1ukl h ASP 802 Cb 0.19 0.33 -0.15 0.00 1.72 0.00 0.00 39.33 41.41 1ukl h ASP 802 CO -0.02 -0.58 -0.10 1.41 -2.88 0.00 0.00 179.24 177.07 1ukl n HIS 803 N -5.51 0.40 0.15 0.28 8.25 -1.16 0.37 115.22 118.00 1ukl n HIS 803 Ca -0.12 0.99 -0.14 0.00 -0.26 0.00 0.00 57.72 58.19 1ukl n HIS 803 Cb 0.40 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.40 1ukl n HIS 803 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1ukl h ILE 804 N 0.00 0.79 -1.13 1.59 2.04 -1.23 0.30 117.51 119.86 1ukl h ILE 804 Ca 0.44 -0.33 0.32 0.00 1.00 0.00 0.00 64.86 66.29 1ukl h ILE 804 Cb 0.80 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 1ukl h ILE 804 CO -0.80 0.07 0.74 0.00 0.00 0.00 0.00 178.15 178.16 1ukl h ALA 805 N 0.17 2.46 0.04 1.87 0.00 0.30 -0.59 119.26 123.50 1ukl h ALA 805 Ca -0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ukl h ALA 805 Cb 0.39 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ukl h ALA 805 CO 0.06 -0.92 -0.02 0.78 0.00 0.00 0.00 179.25 179.15 1ukl h GLY 806 N 0.27 -0.05 -4.78 0.00 0.00 0.61 -3.45 103.07 95.66 1ukl h GLY 806 Ca 0.65 0.02 -0.52 0.00 0.00 0.00 0.00 47.33 47.48 1ukl h GLY 806 CO -0.30 -0.02 1.04 -0.35 0.00 0.00 0.00 176.54 176.91 1ukl s ASP 807 N -5.85 6.42 0.13 0.19 -1.08 0.95 -4.92 116.67 112.51 1ukl s ASP 807 Ca -0.12 2.80 0.01 0.00 -0.52 0.00 0.00 52.55 54.73 1ukl s ASP 807 Cb -0.01 -2.59 -0.13 0.00 -1.46 0.00 0.00 42.92 38.73 1ukl s ASP 807 CO 0.44 -0.97 1.29 -0.33 0.52 0.00 0.00 175.17 176.12 1ukl h GLU 808 N 7.49 0.18 -0.40 4.34 4.39 -1.88 -3.35 114.58 125.35 1ukl h GLU 808 Ca -0.44 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.02 1ukl h GLU 808 Cb 1.21 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1ukl h GLU 808 CO 0.95 1.04 0.00 -0.25 -1.16 0.00 0.00 179.01 179.59 1ukl n ASP 809 N -3.56 0.00 -4.99 1.42 8.00 -1.26 -4.63 116.55 111.53 1ukl n ASP 809 Ca -0.04 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.26 1ukl n ASP 809 Cb 0.90 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.01 1ukl n ASP 809 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1ukl s HIS 810 N -0.25 2.95 -0.13 1.24 -3.43 -1.26 -4.96 115.29 109.45 1ukl s HIS 810 Ca 0.00 -0.16 -0.05 0.00 -0.80 0.00 0.00 55.06 54.05 1ukl s HIS 810 Cb 0.00 -2.39 -0.04 0.00 -1.43 0.00 0.00 32.58 28.72 1ukl s HIS 810 CO 0.00 -0.45 0.06 0.99 -2.00 0.00 0.00 174.74 173.34 1ukl s THR 811 N -2.46 4.79 0.44 -5.38 2.01 -1.26 -5.03 115.64 108.75 1ukl s THR 811 Ca 0.53 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.57 1ukl s THR 811 Cb -0.10 -3.09 0.26 0.00 0.01 0.00 0.00 72.50 69.59 1ukl s THR 811 CO 0.35 0.56 2.08 0.44 -0.69 0.00 0.00 174.62 177.35 1ukl h ASP 812 N 5.67 0.35 -0.33 3.53 3.32 -1.98 -2.06 116.42 124.91 1ukl h ASP 812 Ca -0.47 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.63 1ukl h ASP 812 Cb 1.19 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 1ukl h ASP 812 CO 0.61 0.26 0.02 1.23 -1.72 0.00 0.00 179.24 179.64 1ukl h GLY 813 N 0.42 0.34 0.94 2.75 0.00 -1.99 0.35 103.07 105.88 1ukl h GLY 813 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1ukl h GLY 813 CO -0.02 -0.06 0.16 -2.08 0.00 0.00 0.00 176.54 174.54 1ukl h VAL 814 N 0.12 1.17 -0.41 4.60 2.07 -1.77 -1.71 116.25 120.32 1ukl h VAL 814 Ca 0.16 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1ukl h VAL 814 Cb 0.20 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1ukl h VAL 814 CO -0.25 0.18 0.28 0.58 0.02 0.00 0.00 177.57 178.38 1ukl h VAL 815 N 0.42 0.99 0.55 2.57 2.07 -0.71 -0.68 116.25 121.46 1ukl h VAL 815 Ca 0.12 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1ukl h VAL 815 Cb 0.14 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1ukl h VAL 815 CO -0.01 0.07 -0.26 0.00 0.02 0.00 0.00 177.57 177.38 1ukl h ALA 816 N 1.77 -0.74 -0.25 1.67 0.00 0.31 -1.90 119.26 120.12 1ukl h ALA 816 Ca 0.17 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ukl h ALA 816 Cb 0.23 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ukl h ALA 816 CO -0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 179.25 178.43 1ukl h ALA 818 N 1.23 0.43 -0.30 0.00 0.00 -1.18 0.42 119.26 119.86 1ukl h ALA 818 Ca 0.12 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1ukl h ALA 818 Cb 0.17 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ukl h ALA 818 CO -0.22 -0.38 0.07 0.00 0.00 0.00 0.00 179.25 178.72 1ukl h ALA 819 N 1.39 0.32 -0.17 0.00 0.00 -0.89 -1.87 119.26 118.04 1ukl h ALA 819 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ukl h ALA 819 Cb 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ukl h ALA 819 CO -0.36 -0.34 0.11 0.78 0.00 0.00 0.00 179.25 179.44 1ukl h GLY 820 N 0.18 0.25 0.07 0.00 0.00 -0.28 -1.68 103.07 101.61 1ukl h GLY 820 Ca 0.14 -0.10 0.17 0.00 0.00 0.00 0.00 47.33 47.54 1ukl h GLY 820 CO -0.17 0.09 0.37 -2.00 0.00 0.00 0.00 176.54 174.83 1ukl h LEU 821 N 0.22 0.36 0.48 3.11 6.46 0.21 -0.29 115.31 125.86 1ukl h LEU 821 Ca 0.06 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1ukl h LEU 821 Cb -0.01 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1ukl h LEU 821 CO -0.01 0.11 -0.26 0.40 -0.62 0.00 0.00 178.44 178.06 1ukl h ILE 822 N 0.48 0.47 -0.74 4.05 2.04 -0.85 -1.03 117.51 121.94 1ukl h ILE 822 Ca 0.47 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.47 1ukl h ILE 822 Cb 0.76 0.47 -0.14 0.00 -0.74 0.00 0.00 36.82 37.17 1ukl h ILE 822 CO -0.43 0.00 -0.26 1.23 0.00 0.00 0.00 178.15 178.69 1ukl h GLY 823 N -0.68 0.29 1.00 5.37 0.00 -0.17 0.71 103.07 109.59 1ukl h GLY 823 Ca -0.06 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ukl h GLY 823 CO 0.09 -0.26 0.32 -0.55 0.00 0.00 0.00 176.54 176.14 1ukl h ASP 824 N -0.05 0.58 -0.62 0.19 3.32 -1.04 -2.14 116.42 116.65 1ukl h ASP 824 Ca 0.33 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.39 1ukl h ASP 824 Cb 0.57 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1ukl h ASP 824 CO -0.78 0.43 0.41 -0.07 -1.72 0.00 0.00 179.24 177.51 1ukl h LEU 825 N 0.67 0.59 -0.18 1.55 3.38 0.44 -0.34 115.31 121.43 1ukl h LEU 825 Ca 0.18 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1ukl h LEU 825 Cb -0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1ukl h LEU 825 CO -0.04 0.40 -0.09 0.00 0.09 0.00 0.00 178.44 178.80 1ukl h THR 827 N 0.07 0.00 0.00 0.00 2.02 -0.46 -0.98 112.91 113.56 1ukl h THR 827 Ca 0.04 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.95 1ukl h THR 827 Cb 0.57 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1ukl h THR 827 CO 0.03 0.00 -1.89 0.00 0.37 0.00 0.00 175.52 174.02 1ukl n ALA 828 N -1.89 1.93 -0.09 6.16 0.00 -0.51 -4.88 120.51 121.23 1ukl n ALA 828 Ca -0.02 -0.64 -0.18 0.00 0.00 0.00 0.00 53.44 52.60 1ukl n ALA 828 Cb 0.10 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 1ukl n ALA 828 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ukl n PHE 829 N -3.64 0.00 -0.10 0.00 3.72 -0.84 -5.01 117.46 111.59 1ukl n PHE 829 Ca -0.31 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 1ukl n PHE 829 Cb 0.73 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1ukl n PHE 829 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ukl n GLY 830 N 1.80 0.00 0.09 1.37 0.00 -0.38 -4.47 105.19 103.60 1ukl n GLY 830 Ca -0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1ukl n GLY 830 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ukl n LYS 831 N -1.38 0.50 0.00 1.61 3.00 -1.26 -4.13 118.16 116.51 1ukl n LYS 831 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 1ukl n LYS 831 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 35.03 33.46 1ukl n LYS 831 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ukl n ASP 832 N -4.51 0.01 -0.09 3.14 8.00 -1.26 -0.47 116.55 121.36 1ukl n ASP 832 Ca -0.15 0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 1ukl n ASP 832 Cb 0.44 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 1ukl n ASP 832 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ukl n VAL 833 N -1.23 1.48 -0.30 2.53 0.31 -1.26 -4.20 118.33 115.65 1ukl n VAL 833 Ca -0.00 0.08 0.22 0.00 -0.01 0.00 0.00 64.34 64.63 1ukl n VAL 833 Cb 0.29 -2.25 0.52 0.00 -0.91 0.00 0.00 33.84 31.49 1ukl n VAL 833 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ukl h LEU 834 N -1.00 0.41 0.10 7.52 5.85 -0.93 -1.90 115.31 125.38 1ukl h LEU 834 Ca -0.15 0.07 -0.28 0.00 0.84 0.00 0.00 57.88 58.35 1ukl h LEU 834 Cb 0.93 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1ukl h LEU 834 CO -0.09 0.10 -1.36 0.50 -0.34 0.00 0.00 178.44 177.25 1ukl h LYS 835 N 0.38 0.22 -0.33 1.25 3.64 -1.80 -2.77 116.57 117.16 1ukl h LYS 835 Ca 0.56 -0.38 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1ukl h LYS 835 Cb 1.46 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 1ukl h LYS 835 CO -0.25 1.12 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.86 1ukl h LEU 836 N 0.06 0.55 0.00 5.20 3.38 -1.52 0.14 115.31 123.12 1ukl h LEU 836 Ca -0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1ukl h LEU 836 Cb 1.97 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 1ukl h LEU 836 CO 0.17 0.71 -0.20 0.58 0.09 0.00 0.00 178.44 179.79 1ukl h VAL 837 N 0.52 0.15 -0.12 1.22 2.07 -1.57 -3.02 116.25 115.50 1ukl h VAL 837 Ca 0.09 -1.21 -0.18 0.00 0.82 0.00 0.00 66.70 66.23 1ukl h VAL 837 Cb 0.52 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1ukl h VAL 837 CO 0.03 0.08 -0.67 -0.08 0.02 0.00 0.00 177.57 176.96 1ukl h GLU 838 N 0.00 0.48 -0.94 1.57 4.57 -1.03 -2.35 114.58 116.89 1ukl h GLU 838 Ca -0.00 -0.36 -0.12 0.00 -1.18 0.00 0.00 59.36 57.70 1ukl h GLU 838 Cb 1.07 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.65 1ukl h GLU 838 CO 0.01 0.98 0.15 0.00 -1.18 0.00 0.00 179.01 178.97 1ukl n ALA 839 N -2.52 3.42 -2.82 2.92 0.00 -0.04 -4.23 120.51 117.24 1ukl n ALA 839 Ca -0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 53.44 52.36 1ukl n ALA 839 Cb 0.67 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 19.02 1ukl n ALA 839 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ukl n ARG 840 N 0.02 0.66 -0.30 0.00 1.74 -0.88 -5.02 116.66 112.88 1ukl n ARG 840 Ca 0.18 -2.04 0.05 0.00 -0.77 0.00 0.00 57.85 55.27 1ukl n ARG 840 Cb 0.82 -1.46 0.20 0.00 -1.02 0.00 0.00 32.46 30.99 1ukl n ARG 840 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ukl h PRO 841 N 4.43 0.71 -0.91 5.56 0.11 -1.74 -2.42 132.00 137.75 1ukl h PRO 841 Ca -0.04 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 66.28 1ukl h PRO 841 Cb 1.04 -0.16 -0.15 0.00 0.11 0.00 0.00 31.00 31.84 1ukl h PRO 841 CO 0.23 0.47 0.21 0.52 -0.21 0.00 0.00 178.00 179.22 1ukl h MET 842 N 0.73 0.15 -0.41 1.05 2.86 -1.96 0.70 114.93 118.05 1ukl h MET 842 Ca 0.43 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.14 1ukl h MET 842 Cb 0.50 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 1ukl h MET 842 CO -0.30 0.10 -0.00 0.82 1.06 0.00 0.00 176.91 178.59 1ukl h ILE 843 N 0.15 0.69 -0.92 -1.22 2.04 -1.75 -0.45 117.51 116.04 1ukl h ILE 843 Ca 0.58 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.45 1ukl h ILE 843 Cb 1.21 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 1ukl h ILE 843 CO -0.72 0.02 0.60 -0.74 0.00 0.00 0.00 178.15 177.32 1ukl h HIS 844 N 0.10 1.11 -0.44 1.37 2.76 0.30 0.22 115.15 120.57 1ukl h HIS 844 Ca 0.20 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1ukl h HIS 844 Cb 0.29 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1ukl h HIS 844 CO -0.28 0.62 -0.10 0.93 -1.30 0.00 0.00 177.93 177.80 1ukl h GLU 845 N 1.12 0.78 -0.76 5.26 4.39 -0.63 -2.13 114.58 122.62 1ukl h GLU 845 Ca 0.38 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1ukl h GLU 845 Cb 0.09 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1ukl h GLU 845 CO -0.13 0.86 0.35 1.25 -1.16 0.00 0.00 179.01 180.18 1ukl h LEU 846 N 0.71 1.02 -0.44 1.33 6.46 0.56 0.27 115.31 125.22 1ukl h LEU 846 Ca 0.12 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1ukl h LEU 846 Cb 0.58 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1ukl h LEU 846 CO 0.04 0.88 0.23 -0.07 -0.62 0.00 0.00 178.44 178.90 1ukl h LEU 847 N 1.08 0.55 -0.60 2.25 3.38 -0.58 0.19 115.31 121.58 1ukl h LEU 847 Ca 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ukl h LEU 847 Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ukl h LEU 847 CO -0.03 0.49 0.35 0.74 0.09 0.00 0.00 178.44 180.08 1ukl h THR 848 N 0.57 1.19 -0.58 0.22 2.02 -1.11 0.34 112.91 115.56 1ukl h THR 848 Ca 0.15 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.98 1ukl h THR 848 Cb 0.07 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1ukl h THR 848 CO -0.02 0.20 0.39 -0.08 0.37 0.00 0.00 175.52 176.37 1ukl h GLU 849 N 0.82 0.40 0.00 6.66 4.81 -0.18 0.82 114.58 127.91 1ukl h GLU 849 Ca 0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1ukl h GLU 849 Cb 0.01 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1ukl h GLU 849 CO -0.04 0.26 0.00 0.41 -0.73 0.00 0.00 179.01 178.92 1ukl n GLY 850 N -1.52 -0.93 0.57 1.92 0.00 0.60 -2.16 105.19 103.67 1ukl n GLY 850 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1ukl n GLY 850 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukl n ARG 851 N -0.68 0.05 0.00 1.61 1.74 0.25 -2.35 116.66 117.28 1ukl n ARG 851 Ca 0.08 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1ukl n ARG 851 Cb 0.04 -0.77 0.17 0.00 -1.02 0.00 0.00 32.46 30.88 1ukl n ARG 851 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ukl n ARG 852 N -2.90 0.52 -2.99 5.56 1.74 0.96 -4.73 116.66 114.82 1ukl n ARG 852 Ca -0.05 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 1ukl n ARG 852 Cb 0.54 -1.17 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 1ukl n ARG 852 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ukl s SER 853 N -1.65 7.10 0.06 0.55 1.04 -0.92 -4.99 113.70 114.89 1ukl s SER 853 Ca 0.08 1.55 -0.12 0.00 0.48 0.00 0.00 55.95 57.94 1ukl s SER 853 Cb 0.04 -2.47 -0.27 0.00 0.10 0.00 0.00 66.02 63.42 1ukl s SER 853 CO 0.06 -0.05 1.12 0.07 0.98 0.00 0.00 173.24 175.43 1ukl h LYS 854 N 3.10 0.56 -6.79 4.02 2.10 -1.89 -3.43 116.57 114.23 1ukl h LYS 854 Ca -0.48 -0.76 -0.56 0.00 -2.00 0.00 0.00 60.65 56.86 1ukl h LYS 854 Cb 1.19 0.25 0.10 0.00 -0.90 0.00 0.00 32.23 32.88 1ukl h LYS 854 CO 0.65 1.34 0.65 2.41 -2.00 0.00 0.00 179.45 182.49 1ukl n THR 855 N -3.75 1.76 0.17 0.07 -1.04 -1.26 -4.93 114.28 105.30 1ukl n THR 855 Ca -0.13 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.05 61.38 1ukl n THR 855 Cb 0.98 -1.73 -0.03 0.00 -1.82 0.00 0.00 70.33 67.73 1ukl n THR 855 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1ukl h ASN 856 N 3.14 -0.38 -0.93 8.00 4.21 -1.99 -2.31 115.58 125.32 1ukl h ASN 856 Ca -0.47 0.01 0.20 0.00 1.21 0.00 0.00 56.30 57.25 1ukl h ASN 856 Cb 1.26 0.10 -0.18 0.00 -1.12 0.00 0.00 38.32 38.39 1ukl h ASN 856 CO 0.67 -0.22 -0.18 0.50 -1.29 0.00 0.00 177.43 176.91 1ukl h LYS 857 N -0.55 0.01 -0.14 0.81 3.64 -1.99 0.26 116.57 118.60 1ukl h LYS 857 Ca -0.05 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1ukl h LYS 857 Cb 0.35 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1ukl h LYS 857 CO 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 179.45 177.12 1ukl h ALA 858 N 1.93 -0.04 -0.77 5.00 0.00 -1.85 -2.67 119.26 120.86 1ukl h ALA 858 Ca 0.47 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1ukl h ALA 858 Cb 0.78 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ukl h ALA 858 CO -0.94 -0.58 0.00 1.17 0.00 0.00 0.00 179.25 178.90 1ukl n LYS 859 N -5.28 0.00 -0.32 0.00 4.81 0.85 -2.15 118.16 116.06 1ukl n LYS 859 Ca -0.03 0.51 -0.09 0.00 -0.87 0.00 0.00 58.31 57.83 1ukl n LYS 859 Cb 0.20 -1.37 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 1ukl n LYS 859 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1ukl h THR 860 N 0.00 0.02 -0.76 3.15 2.02 -1.51 -0.23 112.91 115.60 1ukl h THR 860 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1ukl h THR 860 Cb 0.00 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.38 1ukl h THR 860 CO 0.00 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.32 1ukl h LEU 861 N -0.11 0.45 -0.04 2.58 3.38 -1.53 0.54 115.31 120.58 1ukl h LEU 861 Ca 0.18 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1ukl h LEU 861 Cb 0.50 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ukl h LEU 861 CO -0.84 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 177.88 1ukl h ALA 862 N 1.64 0.06 -0.04 1.53 0.00 -0.56 -0.87 119.26 121.01 1ukl h ALA 862 Ca 0.37 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ukl h ALA 862 Cb 0.76 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ukl h ALA 862 CO -0.13 -0.14 -0.06 1.15 0.00 0.00 0.00 179.25 180.07 1ukl h THR 863 N -0.38 0.00 -0.46 0.00 2.02 -0.19 0.15 112.91 114.05 1ukl h THR 863 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1ukl h THR 863 Cb 0.58 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.91 1ukl h THR 863 CO 0.01 0.00 -0.51 -0.25 0.37 0.00 0.00 175.52 175.14 1ukl h TRP 864 N -0.04 -1.58 -0.93 3.16 7.01 -1.00 0.14 115.95 122.71 1ukl h TRP 864 Ca 0.01 0.08 0.26 0.00 2.11 0.00 0.00 58.89 61.35 1ukl h TRP 864 Cb 0.06 0.75 -0.14 0.00 -2.10 0.00 0.00 29.16 27.73 1ukl h TRP 864 CO -0.61 -0.42 0.40 0.00 -2.79 0.00 0.00 178.44 175.02 1ukl h ALA 865 N -0.08 1.57 -0.45 2.65 0.00 -0.78 0.33 119.26 122.50 1ukl h ALA 865 Ca 0.08 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1ukl h ALA 865 Cb 0.51 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ukl h ALA 865 CO -0.59 -0.47 -0.10 1.15 0.00 0.00 0.00 179.25 179.24 1ukl h THR 866 N 0.31 1.27 -0.32 0.00 2.02 0.20 -0.56 112.91 115.83 1ukl h THR 866 Ca 0.62 -1.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.45 1ukl h THR 866 Cb 1.30 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1ukl h THR 866 CO -0.60 0.42 -0.35 0.50 0.37 0.00 0.00 175.52 175.85 1ukl h LYS 867 N 0.71 0.72 0.00 6.66 3.64 0.50 0.17 116.57 128.97 1ukl h LYS 867 Ca 0.12 -0.35 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1ukl h LYS 867 Cb 0.65 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1ukl h LYS 867 CO 0.04 0.96 -0.20 0.93 -2.27 0.00 0.00 179.45 178.92 1ukl h GLU 868 N 0.60 0.00 0.17 1.90 4.39 -0.25 0.21 114.58 121.61 1ukl h GLU 868 Ca 0.06 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.42 1ukl h GLU 868 Cb 0.88 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1ukl h GLU 868 CO 0.08 0.20 -1.71 -0.07 -1.16 0.00 0.00 179.01 176.34 1ukl h LEU 869 N 0.00 0.57 -1.64 1.33 3.38 -0.64 -3.27 115.31 115.04 1ukl h LEU 869 Ca -0.00 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 1ukl h LEU 869 Cb 0.47 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ukl h LEU 869 CO 0.03 1.77 -0.03 -0.09 0.09 0.00 0.00 178.44 180.20 1ukl h ARG 870 N 0.03 0.00 -0.20 1.13 2.43 -0.45 -2.44 114.38 114.89 1ukl h ARG 870 Ca -0.34 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.70 1ukl h ARG 870 Cb 2.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1ukl h ARG 870 CO 0.15 0.03 -0.35 -0.22 -1.51 0.00 0.00 179.97 178.08 1ukl h LYS 871 N 0.00 0.59 0.00 0.20 3.64 -1.04 -2.71 116.57 117.25 1ukl h LYS 871 Ca -0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1ukl h LYS 871 Cb 0.46 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ukl h LYS 871 CO 0.00 0.98 0.00 1.28 -2.27 0.00 0.00 179.45 179.44 1ukl n LEU 872 N -4.29 0.00 0.03 5.20 4.77 -0.93 -2.94 117.00 118.84 1ukl n LEU 872 Ca -0.06 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1ukl n LEU 872 Cb 0.51 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1ukl n LEU 872 CO 0.45 -0.28 0.57 0.50 -1.33 0.00 0.00 177.39 177.30 1ukl h LYS 873 N 0.00 -0.12 -1.08 3.23 1.63 -1.34 -3.29 116.57 115.61 1ukl h LYS 873 Ca 0.00 0.01 -0.57 0.00 -0.85 0.00 0.00 60.65 59.24 1ukl h LYS 873 Cb 0.14 0.03 -0.26 0.00 -0.60 0.00 0.00 32.23 31.53 1ukl h LYS 873 CO 0.00 0.33 0.74 -1.71 -3.45 0.00 0.00 179.45 175.36 1ukl n ASN 874 N -4.92 6.52 0.02 4.20 4.05 -1.15 -4.12 115.26 119.86 1ukl n ASN 874 Ca -0.09 -3.59 0.11 0.00 0.45 0.00 0.00 54.58 51.46 1ukl n ASN 874 Cb 0.25 -0.95 -0.09 0.00 1.23 0.00 0.00 39.78 40.22 1ukl n ASN 874 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1ukl n GLN 875 N -0.74 0.50 0.00 1.20 -0.06 -1.24 -5.12 117.38 111.91 1ukl n GLN 875 Ca 0.56 -0.08 0.13 0.00 -2.00 0.00 0.00 57.00 55.61 1ukl n GLN 875 Cb 0.87 -1.59 0.27 0.00 -4.06 0.00 0.00 30.24 25.73 1ukl n GLN 875 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86