#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ura s PRO 5 N 0.00 3.95 0.14 0.03 0.04 -1.26 -5.00 135.00 132.90 1ura s PRO 5 Ca 0.00 0.61 0.04 0.00 0.04 0.00 0.00 61.00 61.69 1ura s PRO 5 Cb 0.00 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1ura s PRO 5 CO 0.00 0.13 0.16 0.14 0.04 0.00 0.00 177.00 177.47 1ura s VAL 6 N -2.04 4.70 -0.48 -0.36 -7.23 -1.26 -4.82 120.40 108.91 1ura s VAL 6 Ca 0.53 -0.92 -0.27 0.00 -1.81 0.00 0.00 61.98 59.51 1ura s VAL 6 Cb -0.10 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 1ura s VAL 6 CO 0.20 -0.06 1.93 -0.76 -0.31 0.00 0.00 175.10 176.11 1ura s LEU 7 N -2.99 3.39 0.20 1.32 1.02 -0.73 -4.84 118.68 116.05 1ura s LEU 7 Ca 0.32 0.86 -0.11 0.00 0.02 0.00 0.00 54.13 55.22 1ura s LEU 7 Cb -0.11 -2.92 0.13 0.00 0.02 0.00 0.00 46.19 43.31 1ura s LEU 7 CO 0.24 -2.19 1.82 -0.33 0.02 0.00 0.00 176.35 175.91 1ura h GLU 8 N 14.90 0.98 -1.23 1.70 5.08 -1.95 -3.44 114.58 130.62 1ura h GLU 8 Ca -0.29 -0.11 0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1ura h GLU 8 Cb 1.18 -0.20 -0.21 0.00 0.50 0.00 0.00 28.75 30.03 1ura h GLU 8 CO 1.13 0.72 -0.20 1.21 -1.00 0.00 0.00 179.01 180.87 1ura s ASN 9 N -6.00 -1.27 -0.24 1.42 3.84 -1.26 -5.01 114.94 106.42 1ura s ASN 9 Ca -0.13 1.03 0.11 0.00 0.21 0.00 0.00 52.86 54.08 1ura s ASN 9 Cb 0.14 2.16 0.46 0.00 -0.55 0.00 0.00 41.25 43.46 1ura s ASN 9 CO 0.79 -0.24 1.34 0.54 -2.79 0.00 0.00 177.10 176.74 1ura n ARG 10 N 5.43 1.74 -2.21 0.43 5.12 -1.26 -4.93 116.66 120.98 1ura n ARG 10 Ca -0.04 -3.19 -0.30 0.00 -1.93 0.00 0.00 57.85 52.38 1ura n ARG 10 Cb 0.51 -1.72 -0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1ura n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ura s ALA 11 N -3.21 3.17 0.03 7.54 0.00 -1.26 -4.72 121.76 123.31 1ura s ALA 11 Ca 0.41 -0.12 -0.36 0.00 0.00 0.00 0.00 51.96 51.89 1ura s ALA 11 Cb 0.38 -2.96 -0.14 0.00 0.00 0.00 0.00 23.12 20.40 1ura s ALA 11 CO -0.03 -0.47 1.60 0.00 0.00 0.00 0.00 175.76 176.86 1ura n ALA 12 N -2.29 0.37 0.34 0.00 0.00 0.25 -4.44 120.51 114.74 1ura n ALA 12 Ca 0.05 0.42 0.13 0.00 0.00 0.00 0.00 53.44 54.05 1ura n ALA 12 Cb 0.54 -2.28 0.58 0.00 0.00 0.00 0.00 19.45 18.29 1ura n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ura h GLN 13 N 6.39 0.00 0.00 0.00 1.08 -0.35 -3.48 115.11 118.75 1ura h GLN 13 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1ura h GLN 13 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1ura h GLN 13 CO 0.88 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.17 1ura n GLY 14 N -0.22 2.97 3.60 3.46 0.00 -0.46 -5.05 105.19 109.48 1ura n GLY 14 Ca 0.01 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1ura n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ura s ASP 15 N 2.00 6.57 0.63 1.61 2.15 -1.25 -4.78 116.67 123.60 1ura s ASP 15 Ca 0.00 0.57 0.32 0.00 0.43 0.00 0.00 52.55 53.87 1ura s ASP 15 Cb 0.00 -2.55 1.75 0.00 -0.30 0.00 0.00 42.92 41.82 1ura s ASP 15 CO 0.00 -1.29 2.06 0.40 -0.17 0.00 0.00 175.17 176.17 1ura h ILE 16 N 6.27 0.23 0.06 4.11 2.04 -1.97 -0.96 117.51 127.29 1ura h ILE 16 Ca -0.24 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.38 1ura h ILE 16 Cb 1.07 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1ura h ILE 16 CO 1.12 0.00 -1.09 0.74 0.00 0.00 0.00 178.15 178.92 1ura h THR 17 N 0.00 1.58 -3.29 -0.27 2.02 -1.91 -3.41 112.91 107.63 1ura h THR 17 Ca 0.06 -3.11 -0.50 0.00 0.77 0.00 0.00 66.41 63.63 1ura h THR 17 Cb 0.56 2.82 0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1ura h THR 17 CO -0.00 0.90 -0.05 0.00 0.37 0.00 0.00 175.52 176.74 1ura s ALA 18 N -2.78 3.54 0.21 6.16 0.00 -0.37 -5.00 121.76 123.52 1ura s ALA 18 Ca -0.02 -0.56 -0.32 0.00 0.00 0.00 0.00 51.96 51.06 1ura s ALA 18 Cb 0.09 -2.40 -0.13 0.00 0.00 0.00 0.00 23.12 20.68 1ura s ALA 18 CO 0.85 0.01 1.58 -0.35 0.00 0.00 0.00 175.76 177.85 1ura n PRO 19 N -1.48 2.35 -0.31 0.00 -0.04 -1.26 -0.74 135.00 133.52 1ura n PRO 19 Ca -0.01 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1ura n PRO 19 Cb 0.55 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1ura n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ura n GLY 20 N 3.12 2.30 0.22 0.55 0.00 -1.26 -4.86 105.19 105.25 1ura n GLY 20 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1ura n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ura h GLY 21 N 0.00 0.00 0.33 -0.02 0.00 -1.02 -2.84 103.07 99.52 1ura h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ura h GLY 21 CO 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 176.18 1ura n ALA 22 N -2.24 3.28 -1.64 3.60 0.00 -1.26 -1.36 120.51 120.89 1ura n ALA 22 Ca -0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1ura n ALA 22 Cb 0.42 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.80 1ura n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ura n ARG 23 N -0.84 1.36 -0.00 0.00 1.74 -1.07 -4.55 116.66 113.30 1ura n ARG 23 Ca 0.10 0.50 0.06 0.00 -0.77 0.00 0.00 57.85 57.74 1ura n ARG 23 Cb 0.35 -2.21 -0.09 0.00 -1.02 0.00 0.00 32.46 29.49 1ura n ARG 23 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ura n ARG 24 N -0.36 0.89 -3.96 5.56 1.74 -1.26 0.12 116.66 119.39 1ura n ARG 24 Ca 0.10 -0.09 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 1ura n ARG 24 Cb 0.42 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.54 1ura n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ura s LEU 25 N -3.63 4.25 0.00 0.55 1.43 -1.26 -4.56 118.68 115.46 1ura s LEU 25 Ca -0.03 0.38 0.14 0.00 -1.03 0.00 0.00 54.13 53.59 1ura s LEU 25 Cb 0.08 -2.15 -0.10 0.00 0.03 0.00 0.00 46.19 44.05 1ura s LEU 25 CO 0.52 0.37 0.65 0.35 0.23 0.00 0.00 176.35 178.48 1ura n THR 26 N 1.75 0.00 -3.90 5.49 -2.24 -1.26 -5.00 114.28 109.12 1ura n THR 26 Ca -0.18 -0.23 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 1ura n THR 26 Cb 0.54 1.06 0.01 0.00 -2.10 0.00 0.00 70.33 69.84 1ura n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ura n GLY 27 N 1.24 0.48 3.76 3.38 0.00 -1.26 -5.14 105.19 107.65 1ura n GLY 27 Ca 0.04 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1ura n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ura s ASP 28 N -2.60 6.59 0.00 1.61 2.15 -1.26 -4.95 116.67 118.22 1ura s ASP 28 Ca 0.17 2.78 0.23 0.00 0.43 0.00 0.00 52.55 56.16 1ura s ASP 28 Cb -0.01 -2.64 0.19 0.00 -0.30 0.00 0.00 42.92 40.16 1ura s ASP 28 CO 0.00 -0.72 1.20 0.00 -0.17 0.00 0.00 175.17 175.49 1ura n GLN 29 N 1.57 0.82 -0.14 4.34 1.13 -1.26 -4.57 117.38 119.28 1ura n GLN 29 Ca 0.04 -0.63 -0.05 0.00 -1.94 0.00 0.00 57.00 54.42 1ura n GLN 29 Cb 0.40 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.27 1ura n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ura h THR 30 N 1.54 0.32 -0.47 5.09 2.02 -2.00 -1.02 112.91 118.39 1ura h THR 30 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1ura h THR 30 Cb 0.63 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1ura h THR 30 CO 0.00 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.20 1ura h ALA 31 N 1.07 0.60 -0.45 6.16 0.00 -2.00 -1.94 119.26 122.70 1ura h ALA 31 Ca 0.21 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ura h ALA 31 Cb 0.49 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1ura h ALA 31 CO -0.54 0.04 0.16 0.00 0.00 0.00 0.00 179.25 178.91 1ura h ALA 32 N 1.18 0.54 -0.66 0.00 0.00 -1.63 -1.92 119.26 116.77 1ura h ALA 32 Ca 0.17 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ura h ALA 32 Cb -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ura h ALA 32 CO -0.04 -0.22 0.20 -0.07 0.00 0.00 0.00 179.25 179.12 1ura h LEU 33 N 0.34 0.96 -0.69 0.00 3.38 -0.94 -2.43 115.31 115.93 1ura h LEU 33 Ca 0.21 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1ura h LEU 33 Cb 0.20 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1ura h LEU 33 CO -0.21 0.92 0.39 0.03 0.09 0.00 0.00 178.44 179.65 1ura h ARG 34 N 0.95 0.69 0.00 1.13 3.08 -0.82 0.11 114.38 119.52 1ura h ARG 34 Ca 0.21 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ura h ARG 34 Cb 0.30 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ura h ARG 34 CO -0.01 0.45 0.00 -0.25 -1.07 0.00 0.00 179.97 179.10 1ura n ASP 35 N -4.78 0.33 0.00 7.04 8.00 -0.77 -2.32 116.55 124.06 1ura n ASP 35 Ca 0.09 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.29 1ura n ASP 35 Cb 0.18 -0.65 0.22 0.00 -0.02 0.00 0.00 41.12 40.85 1ura n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ura n SER 36 N -1.86 0.54 -4.64 -2.24 7.64 0.36 -4.32 113.62 109.09 1ura n SER 36 Ca 0.03 -0.29 -0.38 0.00 1.01 0.00 0.00 58.87 59.24 1ura n SER 36 Cb 0.20 0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 1ura n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ura s LEU 37 N -3.04 4.10 -0.18 -3.43 1.02 -0.98 -4.72 118.68 111.45 1ura s LEU 37 Ca 0.11 0.27 -0.13 0.00 0.02 0.00 0.00 54.13 54.40 1ura s LEU 37 Cb 0.17 -2.32 0.06 0.00 0.02 0.00 0.00 46.19 44.12 1ura s LEU 37 CO 0.71 -0.06 0.46 -0.55 0.02 0.00 0.00 176.35 176.94 1ura s SER 38 N 1.28 -0.56 0.00 2.29 0.15 -1.26 -5.03 113.70 110.58 1ura s SER 38 Ca 0.13 0.98 0.22 0.00 0.70 0.00 0.00 55.95 57.99 1ura s SER 38 Cb -0.15 0.91 0.34 0.00 -1.71 0.00 0.00 66.02 65.41 1ura s SER 38 CO 0.08 -0.19 1.33 -0.90 1.20 0.00 0.00 173.24 174.76 1ura n ASP 39 N 3.75 3.26 -4.71 5.45 5.68 -1.26 -0.91 116.55 127.80 1ura n ASP 39 Ca -0.19 -1.97 -0.34 0.00 -0.50 0.00 0.00 54.79 51.79 1ura n ASP 39 Cb 0.56 -0.17 0.11 0.00 -1.14 0.00 0.00 41.12 40.48 1ura n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1ura s LYS 40 N -1.57 1.90 0.52 0.11 -2.85 -1.26 -4.84 119.74 111.75 1ura s LYS 40 Ca 0.34 1.71 -0.23 0.00 -1.00 0.00 0.00 55.97 56.79 1ura s LYS 40 Cb 0.21 -1.81 -0.06 0.00 -2.06 0.00 0.00 37.83 34.11 1ura s LYS 40 CO 0.30 -2.01 1.36 -2.14 0.10 0.00 0.00 175.35 172.96 1ura s PRO 41 N -4.10 3.29 -0.18 1.78 0.02 -1.26 -4.48 135.00 130.07 1ura s PRO 41 Ca 0.72 2.24 -0.11 0.00 0.02 0.00 0.00 61.00 63.87 1ura s PRO 41 Cb -0.28 -2.35 -0.05 0.00 0.02 0.00 0.00 34.50 31.85 1ura s PRO 41 CO 0.48 -1.07 0.18 0.00 -0.33 0.00 0.00 177.00 176.26 1ura s ALA 42 N -1.30 3.67 0.05 -1.55 0.00 -0.43 -4.94 121.76 117.27 1ura s ALA 42 Ca 0.69 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.08 1ura s ALA 42 Cb -0.40 -2.22 -0.24 0.00 0.00 0.00 0.00 23.12 20.26 1ura s ALA 42 CO 0.49 0.16 1.03 -0.22 0.00 0.00 0.00 175.76 177.22 1ura h LYS 43 N 6.58 0.08 -4.83 0.00 3.64 -0.98 -3.37 116.57 117.69 1ura h LYS 43 Ca -0.42 -0.14 -0.27 0.00 -1.27 0.00 0.00 60.65 58.55 1ura h LYS 43 Cb 1.16 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.88 1ura h LYS 43 CO 0.75 0.94 -0.70 -0.80 -2.27 0.00 0.00 179.45 177.36 1ura s ASN 44 N -6.68 1.42 -0.04 4.20 0.01 -1.09 -3.24 114.94 109.52 1ura s ASN 44 Ca -0.03 -1.01 -0.01 0.00 -0.71 0.00 0.00 52.86 51.10 1ura s ASN 44 Cb 0.09 0.05 0.03 0.00 0.41 0.00 0.00 41.25 41.83 1ura s ASN 44 CO 0.83 -0.41 0.07 -0.63 -1.51 0.00 0.00 177.10 175.46 1ura s ILE 45 N -3.48 -0.08 -0.19 0.60 1.01 -0.64 -1.22 121.20 117.19 1ura s ILE 45 Ca 0.14 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.05 1ura s ILE 45 Cb 0.04 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.39 1ura s ILE 45 CO -0.02 0.11 -0.19 -0.63 0.00 0.00 0.00 174.94 174.20 1ura s ILE 46 N 1.36 2.11 -0.28 2.92 1.01 -0.22 -0.95 121.20 127.16 1ura s ILE 46 Ca -0.06 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 1ura s ILE 46 Cb -0.12 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1ura s ILE 46 CO -0.04 0.48 0.04 -0.22 0.00 0.00 0.00 174.94 175.20 1ura s LEU 47 N 1.28 3.60 -0.27 2.97 0.20 0.46 -1.47 118.68 125.45 1ura s LEU 47 Ca 0.04 -0.70 -0.10 0.00 0.69 0.00 0.00 54.13 54.06 1ura s LEU 47 Cb -0.14 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 1ura s LEU 47 CO -0.12 -0.16 0.15 -0.76 -0.29 0.00 0.00 176.35 175.17 1ura s LEU 48 N 1.46 3.81 -0.21 -0.68 2.01 0.12 -0.34 118.68 124.85 1ura s LEU 48 Ca 0.02 -0.08 -0.03 0.00 0.01 0.00 0.00 54.13 54.05 1ura s LEU 48 Cb -0.17 -2.05 -0.01 0.00 0.01 0.00 0.00 46.19 43.98 1ura s LEU 48 CO 0.00 -0.04 -0.06 -0.63 1.01 0.00 0.00 176.35 176.64 1ura s ILE 49 N 1.67 3.26 -0.53 -0.59 -1.09 0.47 -1.58 121.20 122.81 1ura s ILE 49 Ca 0.07 -0.53 -0.18 0.00 -2.23 0.00 0.00 60.65 57.78 1ura s ILE 49 Cb -0.16 -2.47 0.09 0.00 -1.58 0.00 0.00 42.46 38.34 1ura s ILE 49 CO 0.08 0.44 0.58 -0.83 -1.23 0.00 0.00 174.94 173.97 1ura s GLY 50 N 1.42 1.89 -0.09 6.18 0.00 0.14 -0.56 107.32 116.30 1ura s GLY 50 Ca 0.05 -2.11 -0.29 0.00 0.00 0.00 0.00 44.72 42.37 1ura s GLY 50 CO -0.04 1.37 2.03 0.21 0.00 0.00 0.00 173.10 176.66 1ura s ASN 51 N 3.12 6.04 0.00 1.64 3.84 -0.73 -1.19 114.94 127.66 1ura s ASN 51 Ca 0.09 2.24 0.00 0.00 0.21 0.00 0.00 52.86 55.40 1ura s ASN 51 Cb -0.24 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 1ura s ASN 51 CO 0.07 -1.44 0.00 0.61 -2.79 0.00 0.00 177.10 173.55 1ura n GLY 52 N 5.04 0.51 3.29 1.21 0.00 -1.24 -0.66 105.19 113.35 1ura n GLY 52 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1ura n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ura n MET 53 N -2.64 3.10 -1.95 1.61 1.56 -0.33 -3.78 117.12 114.70 1ura n MET 53 Ca 0.00 -3.09 -0.26 0.00 -0.27 0.00 0.00 57.70 54.07 1ura n MET 53 Cb 0.03 -3.40 0.18 0.00 2.15 0.00 0.00 33.22 32.17 1ura n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ura n GLY 54 N 4.88 -0.99 0.37 -5.12 0.00 -1.26 -4.48 105.19 98.58 1ura n GLY 54 Ca 0.49 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.81 1ura n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ura h ASP 55 N -1.40 0.79 -0.43 1.61 5.19 -1.93 -1.45 116.42 118.79 1ura h ASP 55 Ca -0.39 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1ura h ASP 55 Cb 1.13 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1ura h ASP 55 CO 0.30 0.44 0.28 0.28 -3.12 0.00 0.00 179.24 177.42 1ura h SER 56 N 0.86 0.49 -0.60 6.45 0.02 -1.92 -1.20 113.55 117.65 1ura h SER 56 Ca 0.43 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1ura h SER 56 Cb 0.49 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1ura h SER 56 CO -0.19 0.36 0.40 -0.33 -1.14 0.00 0.00 176.83 175.92 1ura h GLU 57 N 0.58 0.78 -0.09 3.45 3.07 -1.57 0.20 114.58 121.00 1ura h GLU 57 Ca 0.16 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1ura h GLU 57 Cb -0.06 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.66 1ura h GLU 57 CO -0.03 0.52 0.05 0.82 -1.40 0.00 0.00 179.01 178.97 1ura h ILE 58 N 0.81 1.09 -0.60 3.13 2.04 -1.04 -1.85 117.51 121.09 1ura h ILE 58 Ca 0.22 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1ura h ILE 58 Cb -0.09 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1ura h ILE 58 CO -0.05 0.08 0.36 0.74 0.00 0.00 0.00 178.15 179.28 1ura h THR 59 N 0.05 1.18 -0.26 -0.27 2.02 -0.89 0.05 112.91 114.78 1ura h THR 59 Ca 0.03 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1ura h THR 59 Cb 0.09 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1ura h THR 59 CO -0.00 0.18 0.15 0.00 0.37 0.00 0.00 175.52 176.22 1ura h ALA 60 N 1.18 0.34 -0.77 6.16 0.00 -0.89 -0.24 119.26 125.03 1ura h ALA 60 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ura h ALA 60 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1ura h ALA 60 CO -0.04 -0.15 0.30 0.00 0.00 0.00 0.00 179.25 179.37 1ura h ALA 61 N 1.04 1.00 -0.06 0.00 0.00 -1.02 -1.84 119.26 118.38 1ura h ALA 61 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ura h ALA 61 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ura h ALA 61 CO -0.02 0.63 0.00 -0.09 0.00 0.00 0.00 179.25 179.77 1ura h ARG 62 N 1.12 0.11 -0.47 0.00 2.43 -0.77 -0.31 114.38 116.48 1ura h ARG 62 Ca 0.26 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 1ura h ARG 62 Cb 0.22 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 1ura h ARG 62 CO -0.02 0.38 0.03 -0.91 -1.51 0.00 0.00 179.97 177.93 1ura h ASN 63 N -0.17 -0.14 0.45 -3.80 2.35 -0.87 0.39 115.58 113.79 1ura h ASN 63 Ca 0.02 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1ura h ASN 63 Cb 0.32 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1ura h ASN 63 CO 0.00 -0.04 -0.22 0.22 -1.65 0.00 0.00 177.43 175.75 1ura h TYR 64 N 0.15 -0.56 -0.07 1.19 5.03 -1.27 -2.39 116.97 119.05 1ura h TYR 64 Ca 0.24 -0.01 -0.21 0.00 2.58 0.00 0.00 58.73 61.32 1ura h TYR 64 Cb 0.34 0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.81 1ura h TYR 64 CO -0.28 -0.27 -0.83 0.00 -1.32 0.00 0.00 178.16 175.47 1ura h ALA 65 N -0.91 0.42 -0.00 1.82 0.00 -0.99 -1.22 119.26 118.39 1ura h ALA 65 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ura h ALA 65 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ura h ALA 65 CO 0.10 0.75 -0.11 0.39 0.00 0.00 0.00 179.25 180.38 1ura n GLU 66 N -3.84 3.86 0.00 0.00 -0.58 0.11 -4.83 120.64 115.36 1ura n GLU 66 Ca -0.06 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1ura n GLU 66 Cb 0.77 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 1ura n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ura n GLY 67 N 0.81 -0.96 0.36 0.62 0.00 0.21 -3.35 105.19 102.88 1ura n GLY 67 Ca 0.01 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.62 1ura n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura h ALA 68 N 0.00 1.69 -0.36 4.61 0.00 -1.78 0.45 119.26 123.88 1ura h ALA 68 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ura h ALA 68 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ura h ALA 68 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1ura n GLY 69 N -1.36 0.75 2.23 0.00 0.00 -1.26 -4.92 105.19 100.63 1ura n GLY 69 Ca 0.21 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 1ura n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ura n GLY 70 N 1.12 -2.63 3.49 -0.02 0.00 0.16 -0.58 105.19 106.72 1ura n GLY 70 Ca 0.13 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 1ura n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ura s PHE 71 N -2.27 -1.03 -0.38 1.61 5.36 -1.26 -4.59 117.98 115.42 1ura s PHE 71 Ca 0.45 1.92 -0.29 0.00 -0.96 0.00 0.00 56.93 58.05 1ura s PHE 71 Cb -0.04 0.56 0.02 0.00 -0.34 0.00 0.00 43.02 43.21 1ura s PHE 71 CO 0.35 -0.54 1.14 -0.06 -1.46 0.00 0.00 175.22 174.65 1ura s PHE 72 N 2.35 2.94 0.58 10.12 0.08 -1.26 -4.90 117.98 127.88 1ura s PHE 72 Ca -0.06 0.96 0.38 0.00 0.12 0.00 0.00 56.93 58.33 1ura s PHE 72 Cb -0.10 -4.01 2.07 0.00 -0.57 0.00 0.00 43.02 40.41 1ura s PHE 72 CO -0.17 -1.12 2.16 0.87 -0.10 0.00 0.00 175.22 176.86 1ura h LYS 73 N 8.76 0.00 0.00 0.44 1.57 -1.96 -2.30 116.57 123.08 1ura h LYS 73 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ura h LYS 73 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ura h LYS 73 CO 1.07 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.36 1ura n GLY 74 N -1.14 -0.35 0.26 3.86 0.00 -1.26 -4.30 105.19 102.26 1ura n GLY 74 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1ura n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ura h ILE 75 N 0.00 0.42 -0.00 -0.61 2.04 -1.80 -1.50 117.51 116.07 1ura h ILE 75 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1ura h ILE 75 Cb 0.00 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1ura h ILE 75 CO 0.00 0.03 -0.20 0.47 0.00 0.00 0.00 178.15 178.45 1ura n ASP 76 N -5.28 0.39 0.19 1.72 8.00 -0.87 -4.09 116.55 116.61 1ura n ASP 76 Ca 0.13 -0.22 0.13 0.00 0.71 0.00 0.00 54.79 55.54 1ura n ASP 76 Cb 0.44 -0.08 0.39 0.00 -0.02 0.00 0.00 41.12 41.85 1ura n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ura h ALA 77 N 3.28 1.00 -2.27 2.24 0.00 -1.26 -3.45 119.26 118.80 1ura h ALA 77 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1ura h ALA 77 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ura h ALA 77 CO 0.00 0.00 1.07 -0.51 0.00 0.00 0.00 179.25 179.81 1ura s LEU 78 N -5.55 4.32 0.27 0.00 1.43 -1.25 -1.77 118.68 116.13 1ura s LEU 78 Ca 0.06 2.22 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 1ura s LEU 78 Cb 0.08 -3.54 0.38 0.00 0.03 0.00 0.00 46.19 43.15 1ura s LEU 78 CO 0.59 -0.91 1.71 1.55 0.23 0.00 0.00 176.35 179.52 1ura h PRO 79 N 9.40 0.53 -4.77 1.29 0.13 -1.87 -3.43 132.00 133.27 1ura h PRO 79 Ca -0.39 -0.20 -0.67 0.00 -0.87 0.00 0.00 66.00 63.88 1ura h PRO 79 Cb 1.17 -0.03 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 1ura h PRO 79 CO 0.95 0.73 -0.49 -0.51 -0.23 0.00 0.00 178.00 178.45 1ura s LEU 80 N -8.71 4.38 0.25 1.56 1.43 -1.12 -5.00 118.68 111.46 1ura s LEU 80 Ca -0.07 -0.31 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1ura s LEU 80 Cb 0.14 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1ura s LEU 80 CO 0.80 -0.18 -0.18 0.42 0.23 0.00 0.00 176.35 177.43 1ura s THR 81 N 1.73 2.21 0.10 5.49 -4.23 -1.26 -0.73 115.64 118.94 1ura s THR 81 Ca 0.06 -2.30 -0.09 0.00 -1.18 0.00 0.00 61.69 58.19 1ura s THR 81 Cb -0.17 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1ura s THR 81 CO 0.11 -0.44 0.43 0.61 -0.54 0.00 0.00 174.62 174.79 1ura n GLY 82 N -0.44 1.11 3.06 3.99 0.00 -0.24 -3.84 105.19 108.83 1ura n GLY 82 Ca -0.07 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 1ura n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ura s GLN 83 N -2.03 1.36 0.08 1.61 1.11 -0.58 -1.72 119.66 119.50 1ura s GLN 83 Ca 0.09 -0.44 0.06 0.00 0.01 0.00 0.00 55.36 55.09 1ura s GLN 83 Cb -0.01 -1.21 -0.03 0.00 -1.01 0.00 0.00 33.01 30.74 1ura s GLN 83 CO 0.03 0.16 -0.17 1.52 0.01 0.00 0.00 175.29 176.84 1ura s TYR 84 N 0.18 1.45 0.24 0.91 1.13 -0.51 -2.10 117.35 118.64 1ura s TYR 84 Ca -0.04 -0.44 -0.13 0.00 -1.41 0.00 0.00 57.07 55.05 1ura s TYR 84 Cb -0.10 -0.81 -0.08 0.00 -1.10 0.00 0.00 41.96 39.87 1ura s TYR 84 CO 0.01 0.12 0.61 0.95 -2.51 0.00 0.00 175.55 174.73 1ura s THR 85 N -1.21 4.83 -0.08 -3.49 -4.23 -0.45 -2.73 115.64 108.27 1ura s THR 85 Ca 0.02 0.72 0.24 0.00 -1.18 0.00 0.00 61.69 61.49 1ura s THR 85 Cb -0.10 -3.65 0.45 0.00 1.34 0.00 0.00 72.50 70.54 1ura s THR 85 CO 0.03 -0.02 1.16 0.00 -0.54 0.00 0.00 174.62 175.25 1ura n HIS 86 N 0.05 0.37 -2.05 3.99 1.44 -1.26 -1.04 115.22 116.72 1ura n HIS 86 Ca -0.00 -1.00 -0.36 0.00 -2.01 0.00 0.00 57.72 54.35 1ura n HIS 86 Cb 0.52 -0.18 0.03 0.00 0.12 0.00 0.00 29.99 30.48 1ura n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1ura s TYR 87 N -1.21 2.45 0.00 -1.40 1.13 -1.26 -4.41 117.35 112.64 1ura s TYR 87 Ca 0.33 1.51 0.00 0.00 -1.41 0.00 0.00 57.07 57.50 1ura s TYR 87 Cb 0.37 -3.47 0.00 0.00 -1.10 0.00 0.00 41.96 37.76 1ura s TYR 87 CO -0.13 -2.14 0.00 0.00 -2.51 0.00 0.00 175.55 170.78 1ura n ALA 88 N -1.45 0.00 -2.50 9.51 0.00 0.17 -4.90 120.51 121.33 1ura n ALA 88 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 1ura n ALA 88 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 1ura n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ura s LEU 89 N 0.00 2.34 -0.17 0.00 1.43 -0.48 -0.53 118.68 121.27 1ura s LEU 89 Ca 0.00 -0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 1ura s LEU 89 Cb 0.00 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 1ura s LEU 89 CO 0.00 0.04 0.79 0.21 0.23 0.00 0.00 176.35 177.62 1ura s ASN 90 N -2.15 6.91 0.21 2.29 3.84 0.62 -3.95 114.94 122.71 1ura s ASN 90 Ca 0.10 1.11 -0.10 0.00 0.21 0.00 0.00 52.86 54.18 1ura s ASN 90 Cb -0.09 -2.43 0.29 0.00 -0.55 0.00 0.00 41.25 38.47 1ura s ASN 90 CO 0.05 -0.36 1.71 0.50 -2.79 0.00 0.00 177.10 176.21 1ura h LYS 91 N 7.33 0.26 0.41 0.43 3.64 -1.94 0.25 116.57 126.96 1ura h LYS 91 Ca -0.30 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1ura h LYS 91 Cb 1.14 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1ura h LYS 91 CO 0.82 0.18 -0.20 0.87 -2.27 0.00 0.00 179.45 178.85 1ura h LYS 92 N 0.27 -0.53 0.00 1.90 1.79 -1.94 -3.37 116.57 114.69 1ura h LYS 92 Ca 0.31 0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.62 1ura h LYS 92 Cb 0.45 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1ura h LYS 92 CO -0.39 -0.31 -0.88 1.79 -1.08 0.00 0.00 179.45 178.58 1ura h THR 93 N -1.11 1.49 0.00 -0.16 1.35 -1.98 -3.47 112.91 109.03 1ura h THR 93 Ca -0.06 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 1ura h THR 93 Cb 0.47 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1ura h THR 93 CO 0.09 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 1ura n GLY 94 N 0.89 1.19 3.88 5.82 0.00 0.86 -5.00 105.19 112.82 1ura n GLY 94 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1ura n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ura s LYS 95 N -0.33 3.32 0.44 1.61 1.02 -1.26 -4.63 119.74 119.92 1ura s LYS 95 Ca 0.00 0.64 -0.26 0.00 0.02 0.00 0.00 55.97 56.38 1ura s LYS 95 Cb 0.00 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1ura s LYS 95 CO 0.00 -0.74 1.41 -2.14 -0.92 0.00 0.00 175.35 172.95 1ura s PRO 96 N -5.25 3.76 -0.33 -1.68 0.02 -1.26 -0.27 135.00 129.99 1ura s PRO 96 Ca 0.56 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.97 1ura s PRO 96 Cb -0.11 -2.69 0.08 0.00 0.02 0.00 0.00 34.50 31.80 1ura s PRO 96 CO 0.53 -0.74 0.04 0.34 -0.33 0.00 0.00 177.00 176.84 1ura s ASP 97 N -0.53 4.86 0.59 2.53 -1.08 0.32 -4.63 116.67 118.72 1ura s ASP 97 Ca 0.60 -1.76 0.29 0.00 -0.52 0.00 0.00 52.55 51.16 1ura s ASP 97 Cb -0.43 -1.68 1.67 0.00 -1.46 0.00 0.00 42.92 41.02 1ura s ASP 97 CO 0.55 -0.35 2.09 1.88 0.52 0.00 0.00 175.17 179.86 1ura h TYR 98 N 7.84 0.00 -3.83 -5.34 0.05 -1.94 0.50 116.97 114.26 1ura h TYR 98 Ca -0.13 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.97 1ura h TYR 98 Cb 1.04 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 38.42 1ura h TYR 98 CO 0.56 0.00 -0.76 0.08 -1.05 0.00 0.00 178.16 176.98 1ura s VAL 99 N -4.60 2.44 0.67 -2.88 1.01 -1.26 -4.41 120.40 111.36 1ura s VAL 99 Ca -0.05 -1.59 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 1ura s VAL 99 Cb 0.15 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 34.14 1ura s VAL 99 CO 0.53 -0.08 0.97 0.28 0.00 0.00 0.00 175.10 176.80 1ura s THR 100 N 1.14 2.43 0.35 3.92 -1.32 -1.26 -4.82 115.64 116.08 1ura s THR 100 Ca -0.07 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 1ura s THR 100 Cb -0.20 -3.03 0.01 0.00 -1.51 0.00 0.00 72.50 67.77 1ura s THR 100 CO -0.04 -0.03 0.10 -0.90 -2.21 0.00 0.00 174.62 171.54 1ura n ASP 101 N -2.80 2.63 -0.10 8.08 5.75 -1.26 -4.92 116.55 123.92 1ura n ASP 101 Ca 0.08 -2.38 -0.07 0.00 -0.01 0.00 0.00 54.79 52.40 1ura n ASP 101 Cb 0.60 0.13 0.09 0.00 -1.03 0.00 0.00 41.12 40.92 1ura n ASP 101 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1ura h SER 102 N 0.66 0.81 0.70 -1.12 0.02 -1.99 -2.94 113.55 109.69 1ura h SER 102 Ca -0.26 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1ura h SER 102 Cb 0.84 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1ura h SER 102 CO 0.42 0.97 -0.48 0.00 -1.14 0.00 0.00 176.83 176.60 1ura h ALA 103 N 1.10 -1.23 -0.77 3.77 0.00 -1.88 0.26 119.26 120.51 1ura h ALA 103 Ca 0.11 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ura h ALA 103 Cb 0.67 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1ura h ALA 103 CO 0.05 -1.21 0.49 0.00 0.00 0.00 0.00 179.25 178.58 1ura h ALA 104 N -1.14 1.01 -0.38 0.00 0.00 -1.63 -1.00 119.26 116.11 1ura h ALA 104 Ca -0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1ura h ALA 104 Cb 0.91 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ura h ALA 104 CO 0.06 0.31 -0.16 0.66 0.00 0.00 0.00 179.25 180.13 1ura h SER 105 N 0.97 0.80 -0.63 0.00 4.64 -1.45 -1.71 113.55 116.19 1ura h SER 105 Ca 0.30 -0.39 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1ura h SER 105 Cb -0.01 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1ura h SER 105 CO -0.10 1.01 0.19 0.00 -0.87 0.00 0.00 176.83 177.06 1ura h ALA 106 N 0.81 0.82 -0.83 5.18 0.00 -0.72 -2.00 119.26 122.54 1ura h ALA 106 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ura h ALA 106 Cb 0.70 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1ura h ALA 106 CO 0.05 0.50 0.53 1.15 0.00 0.00 0.00 179.25 181.49 1ura h THR 107 N 0.91 1.22 -0.20 0.00 2.02 -1.08 -0.65 112.91 115.12 1ura h THR 107 Ca 0.20 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1ura h THR 107 Cb 0.31 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1ura h THR 107 CO -0.00 0.22 0.07 0.00 0.37 0.00 0.00 175.52 176.17 1ura h ALA 108 N 1.46 0.22 0.00 6.16 0.00 -0.56 0.96 119.26 127.51 1ura h ALA 108 Ca 0.30 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1ura h ALA 108 Cb -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ura h ALA 108 CO -0.06 -0.35 -0.55 0.11 0.00 0.00 0.00 179.25 178.39 1ura h TRP 109 N 0.17 0.00 0.00 0.00 0.09 -1.26 -0.89 115.95 114.06 1ura h TRP 109 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 59.00 1ura h TRP 109 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.28 1ura h TRP 109 CO -0.12 0.37 -0.83 0.66 0.09 0.00 0.00 178.44 178.62 1ura h SER 110 N 0.00 0.00 0.00 0.11 4.64 -0.88 -3.27 113.55 114.15 1ura h SER 110 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ura h SER 110 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1ura h SER 110 CO 0.04 0.27 -0.94 0.35 -0.87 0.00 0.00 176.83 175.68 1ura n THR 111 N -2.93 0.00 -0.45 2.95 -2.24 0.31 0.28 114.28 112.20 1ura n THR 111 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ura n THR 111 Cb 0.67 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1ura n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ura n GLY 112 N 2.72 0.77 3.10 3.38 0.00 -0.34 -4.94 105.19 109.88 1ura n GLY 112 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1ura n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ura s VAL 113 N -2.00 1.19 0.69 1.61 0.11 -1.25 -4.91 120.40 115.83 1ura s VAL 113 Ca 0.00 -0.61 -0.13 0.00 -2.93 0.00 0.00 61.98 58.31 1ura s VAL 113 Cb 0.00 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1ura s VAL 113 CO 0.00 0.34 1.09 -0.54 -3.33 0.00 0.00 175.10 172.66 1ura s LYS 114 N -0.10 2.71 0.39 1.54 -0.14 -1.26 -3.86 119.74 119.01 1ura s LYS 114 Ca 0.01 1.24 -0.10 0.00 -1.36 0.00 0.00 55.97 55.75 1ura s LYS 114 Cb -0.08 -1.95 0.04 0.00 -1.68 0.00 0.00 37.83 34.16 1ura s LYS 114 CO 0.01 -1.30 0.68 -0.08 -0.76 0.00 0.00 175.35 173.90 1ura s THR 115 N -2.63 0.00 0.41 2.17 -1.32 -1.26 -4.50 115.64 108.51 1ura s THR 115 Ca 0.63 -1.23 -0.13 0.00 -1.21 0.00 0.00 61.69 59.75 1ura s THR 115 Cb -0.18 -2.88 -0.07 0.00 -1.51 0.00 0.00 72.50 67.86 1ura s THR 115 CO 0.47 0.00 0.81 -0.72 -2.21 0.00 0.00 174.62 172.97 1ura s TYR 116 N -2.40 3.45 0.20 9.09 1.13 -1.25 -1.39 117.35 126.18 1ura s TYR 116 Ca 0.22 1.16 -0.32 0.00 -1.41 0.00 0.00 57.07 56.72 1ura s TYR 116 Cb -0.03 -2.53 -0.13 0.00 -1.10 0.00 0.00 41.96 38.17 1ura s TYR 116 CO 0.16 -0.12 1.58 0.09 -2.51 0.00 0.00 175.55 174.75 1ura n ASN 117 N -1.18 3.35 0.00 -0.18 3.02 -1.26 -1.94 115.26 117.08 1ura n ASN 117 Ca 0.03 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1ura n ASN 117 Cb 0.54 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 1ura n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ura n GLY 118 N 3.15 3.09 3.80 7.41 0.00 -1.26 -4.94 105.19 116.44 1ura n GLY 118 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1ura n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura s ALA 119 N -2.84 3.18 -0.18 4.61 0.00 -0.82 -0.23 121.76 125.48 1ura s ALA 119 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.36 1ura s ALA 119 Cb 0.00 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1ura s ALA 119 CO 0.00 0.19 -0.05 -0.51 0.00 0.00 0.00 175.76 175.39 1ura s LEU 120 N -2.51 1.74 -0.77 0.00 1.43 -0.86 -3.42 118.68 114.28 1ura s LEU 120 Ca 0.54 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1ura s LEU 120 Cb -0.14 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.13 1ura s LEU 120 CO 0.19 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ura n GLY 121 N 4.85 0.80 3.18 -3.19 0.00 -1.25 -1.11 105.19 108.48 1ura n GLY 121 Ca -0.12 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1ura n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ura s VAL 122 N -1.86 1.02 0.00 1.61 -7.23 -1.26 -1.98 120.40 110.70 1ura s VAL 122 Ca 0.00 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1ura s VAL 122 Cb 0.00 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.63 1ura s VAL 122 CO 0.00 -0.47 0.00 -0.90 -0.31 0.00 0.00 175.10 173.42 1ura n ASP 123 N 0.71 0.00 0.00 4.85 5.68 -0.58 -4.78 116.55 122.43 1ura n ASP 123 Ca -0.17 -0.82 0.07 0.00 -0.50 0.00 0.00 54.79 53.38 1ura n ASP 123 Cb 0.57 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.88 1ura n ASP 123 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1ura n ILE 124 N -1.20 0.91 -0.11 2.12 -5.35 -1.26 -1.13 119.36 113.35 1ura n ILE 124 Ca 0.00 0.23 0.12 0.00 -0.27 0.00 0.00 62.75 62.83 1ura n ILE 124 Cb 0.00 -0.96 0.29 0.00 -1.74 0.00 0.00 39.64 37.22 1ura n ILE 124 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1ura n HIS 125 N -1.49 0.81 -1.64 4.28 8.25 -1.26 -4.93 115.22 119.24 1ura n HIS 125 Ca 0.04 -0.40 -0.16 0.00 -0.26 0.00 0.00 57.72 56.93 1ura n HIS 125 Cb 0.18 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 1ura n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ura n GLU 126 N 1.62 -1.17 -3.09 -0.41 1.02 -0.29 -4.98 120.64 113.34 1ura n GLU 126 Ca 0.23 1.02 -0.39 0.00 -0.02 0.00 0.00 57.16 58.00 1ura n GLU 126 Cb 0.62 -5.26 -0.05 0.00 -0.02 0.00 0.00 31.44 26.73 1ura n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ura s LYS 127 N -3.67 4.41 0.66 3.49 2.20 -1.26 -4.76 119.74 120.80 1ura s LYS 127 Ca 0.00 0.90 -0.15 0.00 -0.36 0.00 0.00 55.97 56.36 1ura s LYS 127 Cb 0.00 -3.36 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1ura s LYS 127 CO 0.00 0.30 1.11 -0.51 -0.36 0.00 0.00 175.35 175.90 1ura s ASP 128 N -0.05 5.09 -0.07 1.43 1.01 -1.26 -1.53 116.67 121.29 1ura s ASP 128 Ca 0.35 2.02 -0.02 0.00 0.71 0.00 0.00 52.55 55.61 1ura s ASP 128 Cb -0.19 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.22 1ura s ASP 128 CO 0.20 -1.64 0.03 -1.00 0.21 0.00 0.00 175.17 172.97 1ura s HIS 129 N -2.31 0.40 0.40 4.23 3.76 -0.84 -4.89 115.29 116.04 1ura s HIS 129 Ca 0.67 -0.04 -0.27 0.00 -0.15 0.00 0.00 55.06 55.27 1ura s HIS 129 Cb -0.21 -0.67 -0.10 0.00 1.11 0.00 0.00 32.58 32.71 1ura s HIS 129 CO 0.41 -0.30 1.44 -1.25 -0.85 0.00 0.00 174.74 174.19 1ura s PRO 130 N 2.06 3.97 0.42 8.40 0.04 -1.26 -4.82 135.00 143.80 1ura s PRO 130 Ca 0.04 2.46 -0.00 0.00 0.04 0.00 0.00 61.00 63.54 1ura s PRO 130 Cb -0.13 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1ura s PRO 130 CO -0.05 -0.60 0.64 0.95 0.04 0.00 0.00 177.00 177.98 1ura s THR 131 N -1.16 4.47 0.37 1.26 -4.23 -1.26 -4.50 115.64 110.59 1ura s THR 131 Ca 0.56 -0.43 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1ura s THR 131 Cb -0.44 -3.65 0.29 0.00 1.34 0.00 0.00 72.50 70.04 1ura s THR 131 CO 0.59 -0.46 1.96 -0.29 -0.54 0.00 0.00 174.62 175.89 1ura h ILE 132 N 0.51 1.01 -0.08 2.99 6.09 -0.50 -0.56 117.51 126.98 1ura h ILE 132 Ca -0.47 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 62.75 1ura h ILE 132 Cb 1.24 0.23 -0.00 0.00 0.47 0.00 0.00 36.82 38.75 1ura h ILE 132 CO 0.59 0.13 0.00 0.25 -3.07 0.00 0.00 178.15 176.06 1ura h LEU 133 N 0.72 0.14 -1.11 2.19 6.46 -1.84 0.12 115.31 122.00 1ura h LEU 133 Ca 0.31 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1ura h LEU 133 Cb 0.27 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.11 1ura h LEU 133 CO -0.10 0.41 0.60 -0.33 -0.62 0.00 0.00 178.44 178.40 1ura h GLU 134 N -0.13 1.15 -0.43 1.25 5.08 -1.59 0.07 114.58 119.98 1ura h GLU 134 Ca 0.02 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1ura h GLU 134 Cb 0.33 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1ura h GLU 134 CO 0.00 0.76 -0.30 0.52 -1.00 0.00 0.00 179.01 178.99 1ura h MET 135 N 1.19 0.97 -0.36 2.33 2.86 -0.85 -0.42 114.93 120.65 1ura h MET 135 Ca 0.35 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1ura h MET 135 Cb -0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1ura h MET 135 CO -0.09 1.13 0.15 0.00 1.06 0.00 0.00 176.91 179.16 1ura h ALA 136 N 0.82 0.46 -0.24 6.32 0.00 -0.10 -1.86 119.26 124.66 1ura h ALA 136 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ura h ALA 136 Cb 0.89 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ura h ALA 136 CO 0.08 0.05 0.15 -0.22 0.00 0.00 0.00 179.25 179.31 1ura h LYS 137 N 0.43 0.30 -0.78 0.00 3.64 -0.87 -1.38 116.57 117.91 1ura h LYS 137 Ca 0.12 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1ura h LYS 137 Cb 0.16 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1ura h LYS 137 CO -0.01 0.20 0.51 0.00 -2.27 0.00 0.00 179.45 177.88 1ura h ALA 138 N 1.09 1.74 -0.00 5.00 0.00 -0.79 0.94 119.26 127.24 1ura h ALA 138 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ura h ALA 138 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ura h ALA 138 CO -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 179.25 179.33 1ura n ALA 139 N -2.44 2.63 -0.32 0.00 0.00 -0.73 -4.90 120.51 114.75 1ura n ALA 139 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ura n ALA 139 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1ura n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ura n GLY 140 N 1.10 0.69 3.82 0.00 0.00 0.33 -5.07 105.19 106.06 1ura n GLY 140 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1ura n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ura s LEU 141 N 0.00 3.82 0.65 0.99 1.43 -0.60 -4.83 118.68 120.14 1ura s LEU 141 Ca 0.00 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 1ura s LEU 141 Cb 0.00 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1ura s LEU 141 CO 0.00 -0.55 1.06 0.00 0.23 0.00 0.00 176.35 177.09 1ura s ALA 142 N -2.26 2.67 0.00 4.21 0.00 -0.04 -4.15 121.76 122.20 1ura s ALA 142 Ca 0.63 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1ura s ALA 142 Cb -0.11 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1ura s ALA 142 CO 0.20 -1.05 -0.02 0.95 0.00 0.00 0.00 175.76 175.85 1ura s THR 143 N -2.70 0.11 -0.01 0.00 -4.23 -1.26 -1.26 115.64 106.28 1ura s THR 143 Ca 0.61 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 1ura s THR 143 Cb -0.15 -0.12 0.00 0.00 1.34 0.00 0.00 72.50 73.57 1ura s THR 143 CO 0.45 -0.05 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.61 1ura s GLY 144 N -0.24 0.25 -0.21 3.99 0.00 0.41 -1.54 107.32 109.98 1ura s GLY 144 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 1ura s GLY 144 CO -0.00 0.00 -0.03 0.21 0.00 0.00 0.00 173.10 173.28 1ura s ASN 145 N 0.15 3.34 -0.02 1.64 2.47 0.53 -1.42 114.94 121.63 1ura s ASN 145 Ca -0.01 -0.95 0.05 0.00 0.42 0.00 0.00 52.86 52.36 1ura s ASN 145 Cb -0.05 -0.95 -0.01 0.00 -1.45 0.00 0.00 41.25 38.79 1ura s ASN 145 CO -0.00 -0.24 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.28 1ura s VAL 146 N 1.58 1.30 0.11 -5.21 1.01 0.23 -1.25 120.40 118.18 1ura s VAL 146 Ca -0.03 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1ura s VAL 146 Cb -0.17 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.17 1ura s VAL 146 CO -0.07 0.37 0.56 -0.55 0.00 0.00 0.00 175.10 175.41 1ura s SER 147 N -0.29 -0.50 0.00 3.32 0.15 -0.59 -0.69 113.70 115.10 1ura s SER 147 Ca 0.04 0.05 0.25 0.00 0.70 0.00 0.00 55.95 56.99 1ura s SER 147 Cb -0.07 0.55 0.40 0.00 -1.71 0.00 0.00 66.02 65.19 1ura s SER 147 CO -0.00 -0.87 1.35 0.35 1.20 0.00 0.00 173.24 175.27 1ura n THR 148 N -0.09 0.00 -2.70 6.45 -2.24 -1.05 -3.91 114.28 110.74 1ura n THR 148 Ca -0.17 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.26 1ura n THR 148 Cb 0.63 0.81 0.07 0.00 -2.10 0.00 0.00 70.33 69.74 1ura n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ura n ALA 149 N -0.31 0.41 -1.77 6.98 0.00 -1.26 -1.01 120.51 123.55 1ura n ALA 149 Ca 0.11 -1.37 -0.41 0.00 0.00 0.00 0.00 53.44 51.78 1ura n ALA 149 Cb 0.41 0.28 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 1ura n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ura s GLU 150 N -4.06 4.34 0.48 0.00 2.02 -1.26 -1.05 118.70 119.17 1ura s GLU 150 Ca 0.44 2.23 0.32 0.00 0.02 0.00 0.00 54.97 57.98 1ura s GLU 150 Cb -0.03 -3.06 1.72 0.00 0.10 0.00 0.00 34.13 32.86 1ura s GLU 150 CO 0.28 -0.21 1.99 -0.07 0.02 0.00 0.00 175.26 177.27 1ura h LEU 151 N 3.35 0.00 -0.06 1.80 -0.00 -1.38 0.23 115.31 119.26 1ura h LEU 151 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1ura h LEU 151 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1ura h LEU 151 CO 0.65 0.00 -0.19 0.00 -0.00 0.00 0.00 178.44 178.90 1ura n GLN 152 N -2.65 0.18 -1.32 1.13 3.00 -1.26 -3.82 117.38 112.64 1ura n GLN 152 Ca -0.02 -0.06 -0.33 0.00 -0.01 0.00 0.00 57.00 56.58 1ura n GLN 152 Cb 0.07 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 28.91 1ura n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1ura s ASP 153 N -2.86 4.14 0.18 1.08 -1.08 0.07 -4.72 116.67 113.48 1ura s ASP 153 Ca 0.17 2.19 -0.23 0.00 -0.52 0.00 0.00 52.55 54.16 1ura s ASP 153 Cb 0.19 -2.57 0.09 0.00 -1.46 0.00 0.00 42.92 39.17 1ura s ASP 153 CO 0.57 -2.29 1.57 0.00 0.52 0.00 0.00 175.17 175.54 1ura h ALA 154 N -0.67 -0.16 0.19 3.66 0.00 -1.90 -1.44 119.26 118.94 1ura h ALA 154 Ca -0.46 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ura h ALA 154 Cb 1.27 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 1ura h ALA 154 CO 0.49 -0.75 -0.36 1.15 0.00 0.00 0.00 179.25 179.78 1ura h THR 155 N -0.17 0.25 -0.00 0.00 2.02 -1.92 0.50 112.91 113.59 1ura h THR 155 Ca 0.22 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.25 1ura h THR 155 Cb 0.56 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1ura h THR 155 CO -0.72 0.00 -0.68 1.55 0.37 0.00 0.00 175.52 176.04 1ura h PRO 156 N -0.63 0.01 -0.59 6.66 0.13 -1.83 -3.29 132.00 132.46 1ura h PRO 156 Ca 0.01 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1ura h PRO 156 Cb 0.64 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 1ura h PRO 156 CO -0.17 0.69 0.19 0.00 -0.23 0.00 0.00 178.00 178.49 1ura h ALA 157 N 1.30 0.78 -0.11 -0.56 0.00 -0.95 -2.97 119.26 116.75 1ura h ALA 157 Ca -0.01 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ura h ALA 157 Cb 1.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ura h ALA 157 CO 0.09 0.44 0.33 0.00 0.00 0.00 0.00 179.25 180.10 1ura h ALA 158 N 1.06 1.54 0.00 0.00 0.00 -0.96 0.26 119.26 121.16 1ura h ALA 158 Ca 0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1ura h ALA 158 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ura h ALA 158 CO -0.01 -0.38 -0.45 -0.07 0.00 0.00 0.00 179.25 178.34 1ura h LEU 159 N 0.00 0.00 -0.12 0.00 3.38 -1.70 -3.39 115.31 113.48 1ura h LEU 159 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ura h LEU 159 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ura h LEU 159 CO -0.00 0.41 0.00 1.33 0.09 0.00 0.00 178.44 180.27 1ura n VAL 160 N -3.18 0.00 -4.41 1.22 0.24 -0.23 -4.38 118.33 107.59 1ura n VAL 160 Ca 0.02 -0.33 -0.26 0.00 -2.04 0.00 0.00 64.34 61.73 1ura n VAL 160 Cb 0.70 1.06 -0.12 0.00 -1.47 0.00 0.00 33.84 34.02 1ura n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ura s ALA 161 N -0.53 2.44 -0.33 2.33 0.00 0.75 -4.35 121.76 122.07 1ura s ALA 161 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 1ura s ALA 161 Cb 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 23.12 22.92 1ura s ALA 161 CO 0.00 0.42 0.14 -1.01 0.00 0.00 0.00 175.76 175.31 1ura s HIS 162 N -1.64 1.24 0.04 0.00 3.76 -1.25 -3.90 115.29 113.53 1ura s HIS 162 Ca 0.19 -1.59 0.01 0.00 -0.15 0.00 0.00 55.06 53.52 1ura s HIS 162 Cb -0.08 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.18 1ura s HIS 162 CO 0.09 -0.85 -0.06 0.14 -0.85 0.00 0.00 174.74 173.21 1ura s VAL 163 N 1.49 0.42 -0.53 -0.90 -7.23 -0.26 -4.98 120.40 108.40 1ura s VAL 163 Ca 0.12 -1.09 0.23 0.00 -1.81 0.00 0.00 61.98 59.43 1ura s VAL 163 Cb -0.19 -0.58 0.24 0.00 0.56 0.00 0.00 36.38 36.41 1ura s VAL 163 CO -0.21 -0.45 1.69 0.35 -0.31 0.00 0.00 175.10 176.17 1ura n THR 164 N 1.40 0.84 -3.73 5.32 -2.24 -1.26 -2.03 114.28 112.58 1ura n THR 164 Ca -0.22 0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1ura n THR 164 Cb 0.55 -1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.52 1ura n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ura s SER 165 N -4.14 -0.37 0.58 3.42 0.15 -1.26 -4.34 113.70 107.74 1ura s SER 165 Ca 0.04 0.68 0.31 0.00 0.70 0.00 0.00 55.95 57.68 1ura s SER 165 Cb 0.09 0.60 1.80 0.00 -1.71 0.00 0.00 66.02 66.81 1ura s SER 165 CO 0.38 -0.16 2.23 0.08 1.20 0.00 0.00 173.24 176.97 1ura h ARG 166 N 6.70 0.00 0.00 5.44 0.11 -0.89 -2.31 114.38 123.43 1ura h ARG 166 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1ura h ARG 166 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1ura h ARG 166 CO 0.33 0.03 0.00 0.87 0.10 0.00 0.00 179.97 181.29 1ura h LYS 167 N 0.00 0.00 -3.57 0.08 1.57 -1.95 -3.37 116.57 109.33 1ura h LYS 167 Ca -0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1ura h LYS 167 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1ura h LYS 167 CO 0.00 0.00 3.27 0.00 -0.57 0.00 0.00 179.45 182.15 1ura h TYR 169 N 5.85 -0.59 -3.56 0.00 -1.99 -1.88 -2.58 116.97 112.21 1ura h TYR 169 Ca 0.67 -0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.27 1ura h TYR 169 Cb 0.43 0.22 -0.03 0.00 2.00 0.00 0.00 36.73 39.36 1ura h TYR 169 CO 1.68 -0.31 -0.10 0.41 -0.00 0.00 0.00 178.16 179.84 1ura n GLY 170 N -1.26 3.96 0.38 3.88 0.00 -1.26 -1.94 105.19 108.94 1ura n GLY 170 Ca -0.06 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 43.91 1ura n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ura h PRO 171 N 0.00 -0.03 0.28 1.61 0.11 -1.91 -1.55 132.00 130.50 1ura h PRO 171 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ura h PRO 171 Cb 0.26 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1ura h PRO 171 CO 0.12 -0.02 -0.52 0.77 -0.21 0.00 0.00 178.00 178.13 1ura h SER 172 N -0.04 -1.51 -0.52 -2.05 0.02 -1.97 -2.02 113.55 105.46 1ura h SER 172 Ca 0.32 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.38 1ura h SER 172 Cb 0.58 0.54 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1ura h SER 172 CO -0.93 -0.60 0.21 0.00 -1.14 0.00 0.00 176.83 174.37 1ura h ALA 173 N -0.69 1.31 -0.47 3.77 0.00 -1.81 -3.01 119.26 118.35 1ura h ALA 173 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1ura h ALA 173 Cb 0.81 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ura h ALA 173 CO -0.20 0.51 0.17 1.15 0.00 0.00 0.00 179.25 180.88 1ura h THR 174 N 0.81 1.22 -0.63 0.00 2.02 -0.98 0.30 112.91 115.65 1ura h THR 174 Ca 0.19 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1ura h THR 174 Cb 0.18 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1ura h THR 174 CO -0.02 0.25 0.41 0.28 0.37 0.00 0.00 175.52 176.82 1ura h SER 175 N 0.63 0.58 0.00 4.18 0.02 -1.24 0.55 113.55 118.27 1ura h SER 175 Ca 0.16 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1ura h SER 175 Cb 0.22 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ura h SER 175 CO -0.01 0.39 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.51 1ura h GLU 176 N 0.67 0.00 0.16 3.45 5.08 -1.44 -3.37 114.58 119.13 1ura h GLU 176 Ca 0.26 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.31 1ura h GLU 176 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ura h GLU 176 CO -0.08 0.30 -1.44 0.87 -1.00 0.00 0.00 179.01 177.66 1ura h LYS 177 N -1.00 0.35 -2.18 2.33 1.79 -0.36 -3.40 116.57 114.09 1ura h LYS 177 Ca -0.03 -0.59 -0.59 0.00 -2.18 0.00 0.00 60.65 57.26 1ura h LYS 177 Cb 0.44 0.22 -0.42 0.00 -1.58 0.00 0.00 32.23 30.89 1ura h LYS 177 CO -0.02 1.26 -0.70 0.00 -1.08 0.00 0.00 179.45 178.90 1ura h PRO 179 N 3.78 0.33 0.00 0.00 0.11 -1.67 0.72 132.00 135.28 1ura h PRO 179 Ca 0.16 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ura h PRO 179 Cb 0.66 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 1ura h PRO 179 CO 0.77 0.22 -0.01 0.78 -0.21 0.00 0.00 178.00 179.55 1ura h GLY 180 N 0.34 0.00 0.26 -0.55 0.00 -1.92 -1.85 103.07 99.35 1ura h GLY 180 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ura h GLY 180 CO -0.44 0.00 -1.50 0.70 0.00 0.00 0.00 176.54 175.30 1ura n ASN 181 N -3.14 0.40 -4.68 0.19 5.03 0.13 -4.05 115.26 109.15 1ura n ASN 181 Ca -0.02 -0.16 -0.45 0.00 0.87 0.00 0.00 54.58 54.82 1ura n ASN 181 Cb 0.16 1.38 -0.04 0.00 -1.02 0.00 0.00 39.78 40.26 1ura n ASN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ura n ALA 182 N -2.03 1.60 -0.03 5.41 0.00 -0.54 0.06 120.51 124.97 1ura n ALA 182 Ca -0.01 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 1ura n ALA 182 Cb 0.50 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 1ura n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ura h LEU 183 N 5.94 -0.03 0.00 0.00 5.85 -1.88 0.14 115.31 125.32 1ura h LEU 183 Ca -0.45 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1ura h LEU 183 Cb 1.25 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1ura h LEU 183 CO 0.89 0.01 0.00 -1.84 -0.34 0.00 0.00 178.44 177.16 1ura n GLU 184 N -5.11 0.10 -0.24 1.25 0.00 -1.26 -0.62 120.64 114.77 1ura n GLU 184 Ca -0.03 0.22 0.08 0.00 0.00 0.00 0.00 57.16 57.44 1ura n GLU 184 Cb 0.09 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.21 1ura n GLU 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ura n LYS 185 N -1.30 2.22 -0.75 3.44 5.02 -0.50 -4.97 118.16 121.32 1ura n LYS 185 Ca 0.04 -2.59 0.00 0.00 -2.02 0.00 0.00 58.31 53.73 1ura n LYS 185 Cb 0.06 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1ura n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ura n GLY 186 N -0.85 0.78 3.94 0.72 0.00 0.21 -4.91 105.19 105.09 1ura n GLY 186 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ura n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ura s GLY 187 N -1.84 1.76 0.07 -0.02 0.00 0.36 -4.96 107.32 102.69 1ura s GLY 187 Ca 0.00 -1.24 0.21 0.00 0.00 0.00 0.00 44.72 43.69 1ura s GLY 187 CO 0.00 -0.53 1.65 0.28 0.00 0.00 0.00 173.10 174.50 1ura n LYS 188 N -3.55 0.06 0.00 2.90 5.02 -1.14 -4.15 118.16 117.30 1ura n LYS 188 Ca 0.14 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1ura n LYS 188 Cb 0.60 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1ura n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ura n GLY 189 N 0.48 0.74 3.81 0.72 0.00 0.11 -4.51 105.19 106.55 1ura n GLY 189 Ca 0.04 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 1ura n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ura s SER 190 N 0.00 2.88 0.16 1.61 1.04 -1.26 -4.66 113.70 113.46 1ura s SER 190 Ca 0.00 0.61 -0.16 0.00 0.48 0.00 0.00 55.95 56.88 1ura s SER 190 Cb 0.00 -0.90 0.08 0.00 0.10 0.00 0.00 66.02 65.30 1ura s SER 190 CO 0.00 -2.91 1.71 0.40 0.98 0.00 0.00 173.24 173.42 1ura h ILE 191 N -1.75 0.74 -0.51 -1.02 2.04 -1.31 0.13 117.51 115.82 1ura h ILE 191 Ca -0.47 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1ura h ILE 191 Cb 1.29 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1ura h ILE 191 CO 0.47 0.02 0.26 0.74 0.00 0.00 0.00 178.15 179.64 1ura h THR 192 N 0.11 1.19 -0.47 -0.27 2.02 -1.66 0.91 112.91 114.74 1ura h THR 192 Ca 0.18 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1ura h THR 192 Cb 0.24 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1ura h THR 192 CO -0.29 0.21 0.10 -0.33 0.37 0.00 0.00 175.52 175.58 1ura h GLU 193 N 0.68 0.76 0.00 6.66 5.08 -1.70 -1.47 114.58 124.59 1ura h GLU 193 Ca 0.18 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1ura h GLU 193 Cb 0.10 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1ura h GLU 193 CO -0.02 0.76 -0.28 1.96 -1.00 0.00 0.00 179.01 180.43 1ura h GLN 194 N 0.64 0.00 -0.15 2.33 4.20 -0.51 -1.34 115.11 120.27 1ura h GLN 194 Ca 0.15 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1ura h GLN 194 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1ura h GLN 194 CO 0.00 0.28 -0.02 1.25 -0.67 0.00 0.00 178.83 179.67 1ura h LEU 195 N 0.00 0.28 -1.58 1.46 6.46 -0.23 0.10 115.31 121.80 1ura h LEU 195 Ca -0.00 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.38 1ura h LEU 195 Cb 0.58 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1ura h LEU 195 CO 0.04 0.56 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.21 1ura h LEU 196 N -0.00 0.10 -0.02 2.25 3.38 -0.85 -2.83 115.31 117.32 1ura h LEU 196 Ca 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ura h LEU 196 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ura h LEU 196 CO 0.01 0.24 -0.08 0.78 0.09 0.00 0.00 178.44 179.49 1ura h ASN 197 N 0.10 0.11 -0.41 -0.43 2.35 -0.79 -3.24 115.58 113.26 1ura h ASN 197 Ca 0.02 -0.63 0.12 0.00 -0.55 0.00 0.00 56.30 55.26 1ura h ASN 197 Cb 0.30 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1ura h ASN 197 CO 0.02 0.72 0.34 0.00 -1.65 0.00 0.00 177.43 176.87 1ura h ALA 198 N 0.39 2.26 -6.39 -0.83 0.00 -0.57 -3.47 119.26 110.64 1ura h ALA 198 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 1ura h ALA 198 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ura h ALA 198 CO 0.02 -0.56 -0.81 -2.13 0.00 0.00 0.00 179.25 175.76 1ura n ARG 199 N -4.12 -1.41 -2.60 0.00 0.63 -1.11 -4.95 116.66 103.10 1ura n ARG 199 Ca 0.07 0.89 -0.34 0.00 -0.92 0.00 0.00 57.85 57.55 1ura n ARG 199 Cb 0.53 -3.26 -0.04 0.00 0.45 0.00 0.00 32.46 30.14 1ura n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ura s ALA 200 N -3.05 2.92 0.20 5.13 0.00 -1.26 -4.95 121.76 120.75 1ura s ALA 200 Ca 0.05 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 1ura s ALA 200 Cb -0.02 -3.22 0.12 0.00 0.00 0.00 0.00 23.12 20.00 1ura s ALA 200 CO 0.86 -0.20 1.73 -0.44 0.00 0.00 0.00 175.76 177.72 1ura h ASP 201 N 1.60 1.05 -3.34 0.00 5.19 -1.73 -3.42 116.42 115.78 1ura h ASP 201 Ca -0.49 -0.21 -0.47 0.00 -0.62 0.00 0.00 57.03 55.23 1ura h ASP 201 Cb 1.21 -0.28 -0.35 0.00 0.18 0.00 0.00 39.33 40.09 1ura h ASP 201 CO 0.60 0.99 -0.79 -0.69 -3.12 0.00 0.00 179.24 176.22 1ura s VAL 202 N -5.40 0.79 -0.11 -1.35 1.01 -0.59 -0.38 120.40 114.37 1ura s VAL 202 Ca -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1ura s VAL 202 Cb 0.15 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1ura s VAL 202 CO 0.84 0.30 0.04 -0.89 0.00 0.00 0.00 175.10 175.39 1ura s THR 203 N 1.25 0.21 -0.01 3.92 2.01 -0.48 -0.35 115.64 122.19 1ura s THR 203 Ca -0.05 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1ura s THR 203 Cb -0.14 -0.58 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 1ura s THR 203 CO -0.02 0.02 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.07 1ura s LEU 204 N 2.02 1.94 0.00 4.42 1.43 -0.38 -0.51 118.68 127.61 1ura s LEU 204 Ca 0.03 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1ura s LEU 204 Cb -0.14 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.56 1ura s LEU 204 CO -0.06 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1ura n GLY 205 N 2.98 -0.50 0.00 -3.19 0.00 -0.44 -1.54 105.19 102.50 1ura n GLY 205 Ca -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1ura n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ura n GLY 206 N 0.00 1.78 0.64 -0.02 0.00 -0.22 -1.21 105.19 106.15 1ura n GLY 206 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1ura n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ura n GLY 207 N 5.00 1.11 0.32 -0.02 0.00 -0.63 -1.02 105.19 109.94 1ura n GLY 207 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1ura n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura h ALA 208 N 0.00 1.35 -0.54 4.61 0.00 -0.42 -3.24 119.26 121.02 1ura h ALA 208 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ura h ALA 208 Cb 0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1ura h ALA 208 CO 0.00 0.50 -0.55 -0.22 0.00 0.00 0.00 179.25 178.97 1ura h LYS 209 N 0.84 -0.30 -0.29 0.00 3.64 -1.64 -1.15 116.57 117.68 1ura h LYS 209 Ca 0.20 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1ura h LYS 209 Cb 0.12 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1ura h LYS 209 CO -0.02 -0.20 0.23 1.15 -2.27 0.00 0.00 179.45 178.34 1ura h THR 210 N -0.31 0.74 0.00 1.00 2.02 -1.82 -0.68 112.91 113.86 1ura h THR 210 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1ura h THR 210 Cb 0.56 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1ura h THR 210 CO -0.67 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.71 1ura n PHE 211 N -4.26 0.23 0.68 3.16 3.01 -0.44 -1.55 117.46 118.29 1ura n PHE 211 Ca 0.04 0.10 0.13 0.00 1.01 0.00 0.00 57.45 58.73 1ura n PHE 211 Cb 0.39 -0.67 0.46 0.00 -0.01 0.00 0.00 39.48 39.65 1ura n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ura n ALA 212 N -1.58 2.21 -1.40 4.37 0.00 -0.26 -1.38 120.51 122.46 1ura n ALA 212 Ca 0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1ura n ALA 212 Cb 0.11 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.22 1ura n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ura s GLU 213 N -3.10 1.69 -0.04 0.00 2.02 -0.60 -4.74 118.70 113.93 1ura s GLU 213 Ca 0.11 0.71 0.05 0.00 0.02 0.00 0.00 54.97 55.85 1ura s GLU 213 Cb 0.13 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 1ura s GLU 213 CO 0.55 -1.92 -0.17 0.95 0.02 0.00 0.00 175.26 174.69 1ura s THR 214 N -3.06 2.80 0.24 3.63 -4.23 -1.26 -0.71 115.64 113.04 1ura s THR 214 Ca 0.62 -0.82 -0.30 0.00 -1.18 0.00 0.00 61.69 60.00 1ura s THR 214 Cb -0.16 -2.07 -0.10 0.00 1.34 0.00 0.00 72.50 71.51 1ura s THR 214 CO 0.55 0.59 1.43 0.00 -0.54 0.00 0.00 174.62 176.65 1ura s ALA 215 N -0.70 3.62 -1.07 3.99 0.00 -0.88 -4.81 121.76 121.92 1ura s ALA 215 Ca 0.11 1.30 0.27 0.00 0.00 0.00 0.00 51.96 53.65 1ura s ALA 215 Cb -0.10 -3.55 0.93 0.00 0.00 0.00 0.00 23.12 20.39 1ura s ALA 215 CO 0.00 -0.72 1.71 0.25 0.00 0.00 0.00 175.76 177.00 1ura n THR 216 N 2.46 0.00 -3.00 0.00 -2.24 -1.26 -1.44 114.28 108.80 1ura n THR 216 Ca 0.07 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1ura n THR 216 Cb 0.40 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1ura n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ura n ALA 217 N -1.44 0.00 -0.02 6.98 0.00 -1.26 -4.79 120.51 119.98 1ura n ALA 217 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ura n ALA 217 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.78 1ura n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ura n GLY 218 N 0.00 -1.53 0.35 0.00 0.00 -1.26 -3.20 105.19 99.55 1ura n GLY 218 Ca 0.00 -1.52 0.18 0.00 0.00 0.00 0.00 46.02 44.68 1ura n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ura h GLU 219 N -0.02 0.00 -0.48 1.61 4.81 -2.02 -1.64 114.58 116.84 1ura h GLU 219 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1ura h GLU 219 Cb 0.02 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.24 1ura h GLU 219 CO 0.00 0.00 0.02 0.91 -0.73 0.00 0.00 179.01 179.21 1ura n TRP 220 N -3.82 1.49 -1.70 0.92 8.01 -1.26 -5.04 117.44 116.05 1ura n TRP 220 Ca 0.03 -1.72 -0.40 0.00 -1.31 0.00 0.00 57.50 54.10 1ura n TRP 220 Cb 0.39 -0.58 0.02 0.00 -2.01 0.00 0.00 31.31 29.13 1ura n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1ura n GLN 221 N -1.11 1.76 0.00 -0.99 7.27 -0.62 -2.30 117.38 121.39 1ura n GLN 221 Ca 0.38 0.63 0.00 0.00 0.07 0.00 0.00 57.00 58.09 1ura n GLN 221 Cb 1.11 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 31.38 1ura n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ura n GLY 222 N 0.87 2.77 3.88 1.69 0.00 -0.52 -4.94 105.19 108.93 1ura n GLY 222 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1ura n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ura s LYS 223 N -0.04 3.69 0.59 1.61 -0.14 -0.97 -4.79 119.74 119.68 1ura s LYS 223 Ca 0.00 0.46 -0.14 0.00 -1.36 0.00 0.00 55.97 54.93 1ura s LYS 223 Cb 0.00 -2.32 -0.05 0.00 -1.68 0.00 0.00 37.83 33.78 1ura s LYS 223 CO 0.00 -0.18 1.02 0.95 -0.76 0.00 0.00 175.35 176.38 1ura s THR 224 N -2.62 4.33 0.53 2.17 -4.23 -1.26 -2.08 115.64 112.48 1ura s THR 224 Ca 0.51 0.97 0.27 0.00 -1.18 0.00 0.00 61.69 62.26 1ura s THR 224 Cb -0.10 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.43 1ura s THR 224 CO 0.39 -0.78 2.19 -0.07 -0.54 0.00 0.00 174.62 175.81 1ura h LEU 225 N 0.27 0.00 -0.14 4.79 3.38 -0.56 -0.68 115.31 122.37 1ura h LEU 225 Ca -0.46 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1ura h LEU 225 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1ura h LEU 225 CO 0.60 0.04 -0.04 -0.09 0.09 0.00 0.00 178.44 179.04 1ura h ARG 226 N 0.00 0.28 -0.68 1.13 2.43 -1.49 -1.57 114.38 114.48 1ura h ARG 226 Ca -0.00 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1ura h ARG 226 Cb 0.10 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1ura h ARG 226 CO 0.01 0.57 0.42 0.93 -1.51 0.00 0.00 179.97 180.39 1ura h GLU 227 N -0.04 0.91 -0.45 0.20 5.08 -1.49 -2.02 114.58 116.77 1ura h GLU 227 Ca 0.03 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ura h GLU 227 Cb 0.48 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1ura h GLU 227 CO 0.02 0.64 0.21 0.37 -1.00 0.00 0.00 179.01 179.25 1ura h GLN 228 N 0.92 0.41 -0.52 2.33 4.15 -1.07 0.18 115.11 121.50 1ura h GLN 228 Ca 0.24 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.72 1ura h GLN 228 Cb -0.04 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.49 1ura h GLN 228 CO -0.05 0.27 0.17 0.00 -1.93 0.00 0.00 178.83 177.29 1ura h ALA 229 N 1.26 0.63 -0.45 3.38 0.00 -0.61 0.14 119.26 123.61 1ura h ALA 229 Ca 0.20 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1ura h ALA 229 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ura h ALA 229 CO -0.16 -0.23 -0.12 1.96 0.00 0.00 0.00 179.25 180.70 1ura h GLN 230 N 0.34 0.88 0.00 0.00 4.20 -0.74 -1.22 115.11 118.57 1ura h GLN 230 Ca 0.26 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1ura h GLN 230 Cb 0.30 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ura h GLN 230 CO -0.27 0.98 -0.10 0.00 -0.67 0.00 0.00 178.83 178.77 1ura h ALA 231 N 0.87 1.21 -0.01 3.87 0.00 0.22 -1.85 119.26 123.57 1ura h ALA 231 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ura h ALA 231 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ura h ALA 231 CO 0.05 0.13 -0.14 0.54 0.00 0.00 0.00 179.25 179.82 1ura n ARG 232 N -3.52 1.33 0.00 0.00 1.74 0.39 -4.95 116.66 111.65 1ura n ARG 232 Ca -0.02 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1ura n ARG 232 Cb 0.24 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1ura n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ura n GLY 233 N 1.28 0.71 3.77 -0.13 0.00 -0.70 -5.01 105.19 105.10 1ura n GLY 233 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1ura n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ura s TYR 234 N -2.00 3.00 -0.37 1.61 1.51 -0.49 -4.05 117.35 116.55 1ura s TYR 234 Ca 0.00 1.52 -0.19 0.00 -1.01 0.00 0.00 57.07 57.39 1ura s TYR 234 Cb 0.00 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 1ura s TYR 234 CO 0.00 -1.50 0.57 -0.65 -1.11 0.00 0.00 175.55 172.86 1ura s GLN 235 N -2.31 3.56 -0.05 -0.62 -0.21 0.16 -4.56 119.66 115.63 1ura s GLN 235 Ca 0.57 -0.16 -0.18 0.00 0.02 0.00 0.00 55.36 55.61 1ura s GLN 235 Cb -0.32 -3.84 -0.05 0.00 1.00 0.00 0.00 33.01 29.80 1ura s GLN 235 CO 0.40 -0.75 0.51 -0.51 -2.12 0.00 0.00 175.29 172.83 1ura s LEU 236 N 2.55 4.38 -0.02 2.90 1.43 -1.26 -0.78 118.68 127.89 1ura s LEU 236 Ca 0.21 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 1ura s LEU 236 Cb -0.15 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.31 1ura s LEU 236 CO 0.15 0.11 -0.05 -0.69 0.23 0.00 0.00 176.35 176.10 1ura s VAL 237 N -0.07 0.44 0.00 -1.59 1.01 -0.82 -4.99 120.40 114.38 1ura s VAL 237 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1ura s VAL 237 Cb -0.17 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1ura s VAL 237 CO 0.14 0.15 0.60 -1.20 0.00 0.00 0.00 175.10 174.79 1ura n SER 238 N 3.34 1.17 -3.79 3.32 7.64 -1.26 -0.58 113.62 123.46 1ura n SER 238 Ca -0.18 -1.26 -0.09 0.00 1.01 0.00 0.00 58.87 58.35 1ura n SER 238 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 1ura n SER 238 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1ura s ASP 239 N -0.26 -0.23 0.18 6.43 1.47 -1.26 -4.53 116.67 118.47 1ura s ASP 239 Ca 0.00 -0.56 -0.12 0.00 1.18 0.00 0.00 52.55 53.04 1ura s ASP 239 Cb 0.00 0.60 0.17 0.00 -0.34 0.00 0.00 42.92 43.35 1ura s ASP 239 CO 0.00 -1.10 1.76 0.00 0.68 0.00 0.00 175.17 176.51 1ura h ALA 240 N 2.18 0.64 0.12 2.11 0.00 -0.91 -0.71 119.26 122.69 1ura h ALA 240 Ca -0.27 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ura h ALA 240 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1ura h ALA 240 CO 0.35 -0.17 -0.39 0.00 0.00 0.00 0.00 179.25 179.04 1ura h ALA 241 N 1.32 -0.68 -0.54 0.00 0.00 -1.85 -0.43 119.26 117.07 1ura h ALA 241 Ca 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ura h ALA 241 Cb 0.23 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ura h ALA 241 CO -0.22 -0.95 0.17 0.66 0.00 0.00 0.00 179.25 178.91 1ura h SER 242 N -0.62 0.74 -0.22 0.00 4.64 -1.92 -2.73 113.55 113.45 1ura h SER 242 Ca 0.03 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1ura h SER 242 Cb 0.65 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1ura h SER 242 CO -0.23 0.71 0.10 0.25 -0.87 0.00 0.00 176.83 176.78 1ura h LEU 243 N 0.79 0.14 -1.17 5.97 5.85 -0.44 -0.97 115.31 125.48 1ura h LEU 243 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ura h LEU 243 Cb 0.23 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ura h LEU 243 CO -0.01 0.11 0.00 -1.13 -0.34 0.00 0.00 178.44 177.07 1ura h ASN 244 N 0.21 0.00 1.34 1.25 -1.24 -0.81 -1.92 115.58 114.41 1ura h ASN 244 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1ura h ASN 244 Cb 0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1ura h ASN 244 CO -0.07 0.00 -0.06 -1.20 -1.29 0.00 0.00 177.43 174.80 1ura n SER 245 N -2.40 0.68 -4.67 1.15 7.64 -0.38 -4.81 113.62 110.82 1ura n SER 245 Ca 0.01 0.51 -0.42 0.00 1.01 0.00 0.00 58.87 59.97 1ura n SER 245 Cb 0.17 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1ura n SER 245 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ura s VAL 246 N -3.09 3.87 -0.14 0.44 1.01 -0.72 -4.90 120.40 116.86 1ura s VAL 246 Ca 0.11 1.14 0.17 0.00 0.00 0.00 0.00 61.98 63.40 1ura s VAL 246 Cb 0.13 -3.74 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 1ura s VAL 246 CO 0.60 -0.06 0.31 0.35 0.00 0.00 0.00 175.10 176.30 1ura n THR 247 N 5.12 1.24 -3.85 3.92 -2.24 -1.26 -4.99 114.28 112.21 1ura n THR 247 Ca 0.14 -0.79 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1ura n THR 247 Cb 0.44 -0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 68.04 1ura n THR 247 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ura s GLU 248 N -2.68 0.62 -0.10 -0.78 -1.05 -1.26 -4.95 118.70 108.49 1ura s GLU 248 Ca -0.08 -0.53 -0.04 0.00 -0.15 0.00 0.00 54.97 54.16 1ura s GLU 248 Cb 0.08 0.26 0.05 0.00 -0.44 0.00 0.00 34.13 34.07 1ura s GLU 248 CO 0.84 -0.17 0.22 0.00 0.95 0.00 0.00 175.26 177.10 1ura s ALA 249 N -2.09 -0.43 0.34 -0.84 0.00 -1.26 -4.91 121.76 112.56 1ura s ALA 249 Ca -0.09 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1ura s ALA 249 Cb -0.03 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.34 1ura s ALA 249 CO -0.01 -0.44 0.65 0.27 0.00 0.00 0.00 175.76 176.23 1ura n ASN 250 N 4.88 -1.87 0.24 0.00 0.23 -0.77 -4.85 115.26 113.12 1ura n ASN 250 Ca -0.14 -2.44 0.13 0.00 -0.53 0.00 0.00 54.58 51.60 1ura n ASN 250 Cb 0.51 3.16 0.77 0.00 -2.08 0.00 0.00 39.78 42.14 1ura n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ura h GLN 251 N 0.00 0.00 0.06 -3.83 1.08 -1.92 0.19 115.11 110.69 1ura h GLN 251 Ca -0.28 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.66 1ura h GLN 251 Cb 1.07 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1ura h GLN 251 CO 0.36 0.00 -1.22 1.96 -0.95 0.00 0.00 178.83 178.98 1ura h GLN 252 N 0.00 0.13 -2.21 1.46 7.50 -1.95 -3.39 115.11 116.64 1ura h GLN 252 Ca 0.03 -0.22 -0.58 0.00 0.50 0.00 0.00 58.65 58.39 1ura h GLN 252 Cb 0.16 0.08 -0.39 0.00 0.05 0.00 0.00 27.48 27.38 1ura h GLN 252 CO -0.00 1.05 -0.99 1.63 -1.50 0.00 0.00 178.83 179.02 1ura n LYS 253 N -3.40 0.75 -2.33 1.46 5.02 -0.51 -4.89 118.16 114.26 1ura n LYS 253 Ca -0.07 -3.41 -0.37 0.00 -2.02 0.00 0.00 58.31 52.44 1ura n LYS 253 Cb 0.99 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.45 1ura n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ura s PRO 254 N -0.87 3.98 -0.14 1.97 0.04 0.57 -1.84 135.00 138.71 1ura s PRO 254 Ca 0.34 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 1ura s PRO 254 Cb 0.11 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1ura s PRO 254 CO -0.14 -0.36 0.27 -1.17 0.04 0.00 0.00 177.00 175.65 1ura s LEU 255 N -2.69 4.30 -0.26 -3.56 0.20 0.49 0.36 118.68 117.52 1ura s LEU 255 Ca 0.59 0.54 -0.02 0.00 0.69 0.00 0.00 54.13 55.93 1ura s LEU 255 Cb -0.28 -2.33 0.08 0.00 -0.43 0.00 0.00 46.19 43.23 1ura s LEU 255 CO 0.35 0.19 0.07 -0.22 -0.29 0.00 0.00 176.35 176.44 1ura s LEU 256 N 0.01 1.60 -0.33 -0.68 2.96 0.04 -1.39 118.68 120.89 1ura s LEU 256 Ca 0.16 -1.23 -0.09 0.00 -0.22 0.00 0.00 54.13 52.75 1ura s LEU 256 Cb -0.13 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 45.87 1ura s LEU 256 CO 0.05 -0.37 0.16 -0.83 -1.32 0.00 0.00 176.35 174.04 1ura s GLY 257 N 1.77 1.88 -0.45 7.98 0.00 0.33 -1.95 107.32 116.87 1ura s GLY 257 Ca 0.05 -1.55 -0.08 0.00 0.00 0.00 0.00 44.72 43.13 1ura s GLY 257 CO -0.19 0.75 0.31 1.08 0.00 0.00 0.00 173.10 175.06 1ura s LEU 258 N 1.56 5.56 0.00 0.66 1.43 0.25 -1.33 118.68 126.80 1ura s LEU 258 Ca 0.03 -1.87 0.20 0.00 -1.03 0.00 0.00 54.13 51.46 1ura s LEU 258 Cb -0.18 -1.98 0.58 0.00 0.03 0.00 0.00 46.19 44.64 1ura s LEU 258 CO 0.05 -0.65 1.48 0.49 0.23 0.00 0.00 176.35 177.96 1ura n PHE 259 N 4.87 0.88 -3.60 0.29 3.72 -0.35 -4.19 117.46 119.07 1ura n PHE 259 Ca -0.07 -0.44 -0.06 0.00 -0.05 0.00 0.00 57.45 56.82 1ura n PHE 259 Cb 0.41 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.91 1ura n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ura s ALA 260 N -1.12 -2.02 0.06 4.37 0.00 -1.26 -4.96 121.76 116.83 1ura s ALA 260 Ca 0.44 1.69 -0.27 0.00 0.00 0.00 0.00 51.96 53.81 1ura s ALA 260 Cb 0.23 -0.91 -0.17 0.00 0.00 0.00 0.00 23.12 22.27 1ura s ALA 260 CO 0.30 -0.33 1.55 -0.44 0.00 0.00 0.00 175.76 176.84 1ura h ASP 261 N 2.28 -0.37 0.00 0.00 3.32 -1.93 -0.90 116.42 118.81 1ura h ASP 261 Ca -0.13 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ura h ASP 261 Cb 1.17 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1ura h ASP 261 CO 0.27 -0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 1ura n GLY 262 N -0.97 1.11 3.80 2.75 0.00 -1.26 -1.83 105.19 108.79 1ura n GLY 262 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1ura n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ura s ASN 263 N -0.20 6.61 0.85 1.61 0.01 -1.26 -1.77 114.94 120.80 1ura s ASN 263 Ca 0.00 1.90 -0.11 0.00 -0.71 0.00 0.00 52.86 53.94 1ura s ASN 263 Cb 0.00 -2.56 0.10 0.00 0.41 0.00 0.00 41.25 39.20 1ura s ASN 263 CO 0.00 -0.59 1.10 -0.04 -1.51 0.00 0.00 177.10 176.06 1ura s MET 264 N -3.00 1.60 0.45 -0.60 -1.94 -0.18 -4.94 119.30 110.69 1ura s MET 264 Ca 0.63 1.14 -0.25 0.00 -1.71 0.00 0.00 55.69 55.50 1ura s MET 264 Cb -0.16 -1.82 -0.08 0.00 2.01 0.00 0.00 34.83 34.77 1ura s MET 264 CO 0.20 -2.09 1.42 -2.14 -0.01 0.00 0.00 175.02 172.40 1ura s PRO 265 N -4.84 3.72 0.37 2.03 0.02 -1.26 -4.97 135.00 130.07 1ura s PRO 265 Ca 0.63 2.40 -0.24 0.00 0.02 0.00 0.00 61.00 63.81 1ura s PRO 265 Cb -0.19 -2.67 -0.10 0.00 0.02 0.00 0.00 34.50 31.56 1ura s PRO 265 CO 0.57 -0.78 1.00 0.08 -0.33 0.00 0.00 177.00 177.54 1ura s VAL 266 N -1.20 3.98 0.06 3.83 1.01 -1.26 -5.00 120.40 121.82 1ura s VAL 266 Ca 0.60 1.52 -0.18 0.00 0.00 0.00 0.00 61.98 63.92 1ura s VAL 266 Cb -0.43 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1ura s VAL 266 CO 0.56 0.02 1.39 -0.09 0.00 0.00 0.00 175.10 176.98 1ura h ARG 267 N 2.68 0.47 -6.64 2.72 2.43 -1.89 -3.42 114.38 110.72 1ura h ARG 267 Ca -0.48 -0.23 -0.68 0.00 -0.81 0.00 0.00 59.98 57.78 1ura h ARG 267 Cb 1.20 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 30.49 1ura h ARG 267 CO 0.63 0.79 -0.87 -1.58 -1.51 0.00 0.00 179.97 177.43 1ura s TRP 268 N -4.42 2.24 0.13 2.20 0.51 -1.26 -1.07 118.94 117.27 1ura s TRP 268 Ca -0.14 -0.41 0.05 0.00 -2.12 0.00 0.00 56.10 53.49 1ura s TRP 268 Cb 0.07 -1.34 -0.04 0.00 -0.81 0.00 0.00 33.47 31.35 1ura s TRP 268 CO 0.77 0.13 0.04 -0.51 -0.51 0.00 0.00 176.95 176.88 1ura s LEU 269 N -1.26 3.56 -0.09 2.99 1.43 0.89 -3.79 118.68 122.40 1ura s LEU 269 Ca 0.11 -0.20 -0.32 0.00 -1.03 0.00 0.00 54.13 52.70 1ura s LEU 269 Cb -0.10 -2.23 0.12 0.00 0.03 0.00 0.00 46.19 44.01 1ura s LEU 269 CO 0.02 0.13 1.04 -0.83 0.23 0.00 0.00 176.35 176.94 1ura s GLY 270 N -2.67 -0.38 0.65 -3.19 0.00 -1.26 -2.29 107.32 98.18 1ura s GLY 270 Ca 0.28 1.30 -0.13 0.00 0.00 0.00 0.00 44.72 46.17 1ura s GLY 270 CO 0.20 0.44 1.06 2.56 0.00 0.00 0.00 173.10 177.36 1ura s PRO 271 N -2.77 3.05 0.58 2.90 0.04 -1.26 -4.89 135.00 132.65 1ura s PRO 271 Ca 0.07 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.03 1ura s PRO 271 Cb -0.01 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1ura s PRO 271 CO -0.07 -1.02 1.09 0.21 0.04 0.00 0.00 177.00 177.26 1ura s LYS 272 N -4.56 3.27 0.57 4.56 2.20 -1.26 -4.62 119.74 119.90 1ura s LYS 272 Ca 0.61 1.41 -0.19 0.00 -0.36 0.00 0.00 55.97 57.44 1ura s LYS 272 Cb -0.15 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.11 1ura s LYS 272 CO 0.46 -0.87 1.17 0.00 -0.36 0.00 0.00 175.35 175.75 1ura s ALA 273 N -2.13 2.61 0.24 3.13 0.00 0.17 -5.01 121.76 120.78 1ura s ALA 273 Ca 0.68 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.59 1ura s ALA 273 Cb -0.20 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1ura s ALA 273 CO 0.32 -0.99 0.07 0.95 0.00 0.00 0.00 175.76 176.12 1ura s THR 274 N -1.67 0.61 0.03 0.00 -4.23 -0.84 -4.71 115.64 104.83 1ura s THR 274 Ca 0.75 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.96 1ura s THR 274 Cb -0.28 -2.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 1ura s THR 274 CO 0.30 -0.10 1.77 -0.47 -0.54 0.00 0.00 174.62 175.58 1ura s TYR 275 N -3.72 1.92 -1.93 3.99 5.04 -1.26 -0.97 117.35 120.43 1ura s TYR 275 Ca 0.35 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1ura s TYR 275 Cb 0.07 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1ura s TYR 275 CO 0.12 -4.48 0.00 0.72 -1.34 0.00 0.00 175.55 170.57 1ura n HIS 276 N 6.63 -0.36 -0.02 4.97 8.25 -1.26 -4.88 115.22 128.55 1ura n HIS 276 Ca 0.18 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.84 1ura n HIS 276 Cb 0.41 -3.50 0.68 0.00 1.12 0.00 0.00 29.99 28.70 1ura n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ura h GLY 277 N 0.00 0.05 2.00 -1.41 0.00 -1.24 -1.23 103.07 101.24 1ura h GLY 277 Ca -0.43 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1ura h GLY 277 CO 0.57 0.00 -0.41 3.45 0.00 0.00 0.00 176.54 180.16 1ura h ASN 278 N 0.03 0.00 0.00 0.19 -1.07 -1.83 -2.64 115.58 110.26 1ura h ASN 278 Ca 0.27 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.30 1ura h ASN 278 Cb 1.05 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.23 1ura h ASN 278 CO -0.01 0.41 -2.28 2.30 0.07 0.00 0.00 177.43 177.92 1ura n ILE 279 N -3.37 1.28 0.04 6.14 -5.35 -0.66 -4.65 119.36 112.79 1ura n ILE 279 Ca 0.01 -0.74 -0.21 0.00 -0.27 0.00 0.00 62.75 61.54 1ura n ILE 279 Cb 0.60 -0.65 -0.14 0.00 -1.74 0.00 0.00 39.64 37.70 1ura n ILE 279 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1ura h ASP 280 N 0.00 0.49 -2.33 7.28 3.32 -1.40 -3.47 116.42 120.31 1ura h ASP 280 Ca -0.51 -0.86 -0.49 0.00 0.02 0.00 0.00 57.03 55.19 1ura h ASP 280 Cb 2.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 41.45 1ura h ASP 280 CO 0.01 1.75 -0.46 -0.54 -1.72 0.00 0.00 179.24 178.28 1ura s LYS 281 N -2.57 3.35 0.90 3.56 1.02 -1.00 -5.08 119.74 119.93 1ura s LYS 281 Ca -0.17 -0.75 -0.12 0.00 0.02 0.00 0.00 55.97 54.95 1ura s LYS 281 Cb 0.06 -2.86 0.13 0.00 -0.52 0.00 0.00 37.83 34.64 1ura s LYS 281 CO 0.82 0.46 1.09 -2.14 -0.92 0.00 0.00 175.35 174.66 1ura s PRO 282 N -3.70 1.20 0.29 -1.68 0.02 -1.26 -4.66 135.00 125.21 1ura s PRO 282 Ca 0.34 0.79 -0.29 0.00 0.02 0.00 0.00 61.00 61.86 1ura s PRO 282 Cb -0.10 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 1ura s PRO 282 CO 0.28 -2.28 1.24 0.00 -0.33 0.00 0.00 177.00 175.91 1ura s ALA 283 N -2.94 3.47 0.07 -1.55 0.00 -1.26 -4.69 121.76 114.87 1ura s ALA 283 Ca 0.64 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1ura s ALA 283 Cb -0.18 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1ura s ALA 283 CO 0.57 -0.46 0.39 0.08 0.00 0.00 0.00 175.76 176.34 1ura s VAL 284 N -0.95 5.11 -0.18 0.00 1.01 0.67 -4.78 120.40 121.28 1ura s VAL 284 Ca 0.49 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1ura s VAL 284 Cb -0.37 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1ura s VAL 284 CO 0.47 0.29 -0.10 -0.89 0.00 0.00 0.00 175.10 174.87 1ura s THR 285 N -1.39 1.49 0.58 3.92 2.01 -1.26 -0.30 115.64 120.69 1ura s THR 285 Ca 0.33 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 1ura s THR 285 Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1ura s THR 285 CO 0.18 0.23 1.33 0.00 -0.69 0.00 0.00 174.62 175.67 1ura s THR 287 N -1.34 1.24 0.41 0.00 -1.32 -0.97 -4.98 115.64 108.67 1ura s THR 287 Ca 0.75 -0.65 -0.26 0.00 -1.21 0.00 0.00 61.69 60.32 1ura s THR 287 Cb -0.39 -1.04 -0.10 0.00 -1.51 0.00 0.00 72.50 69.45 1ura s THR 287 CO 0.45 0.35 1.39 -2.65 -2.21 0.00 0.00 174.62 171.95 1ura n PRO 288 N 2.86 2.28 -2.56 7.08 -0.02 -1.26 -0.08 135.00 143.31 1ura n PRO 288 Ca -0.16 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 1ura n PRO 288 Cb 0.54 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 1ura n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ura s ASN 289 N -0.36 6.89 0.59 2.55 2.47 -0.23 -4.68 114.94 122.17 1ura s ASN 289 Ca 0.58 1.21 0.38 0.00 0.42 0.00 0.00 52.86 55.46 1ura s ASN 289 Cb -0.49 -2.54 1.83 0.00 -1.45 0.00 0.00 41.25 38.60 1ura s ASN 289 CO 0.60 -0.89 2.15 -0.65 -3.72 0.00 0.00 177.10 174.59 1ura h PRO 290 N 8.34 0.00 0.00 0.43 0.11 -1.92 -2.49 132.00 136.48 1ura h PRO 290 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1ura h PRO 290 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ura h PRO 290 CO 1.02 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.85 1ura n GLN 291 N -3.06 0.55 0.03 1.05 6.02 -1.26 -4.27 117.38 116.44 1ura n GLN 291 Ca -0.01 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.14 1ura n GLN 291 Cb 0.20 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.31 1ura n GLN 291 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1ura n ARG 292 N -1.13 0.10 -1.60 -1.09 1.85 -0.94 -4.98 116.66 108.87 1ura n ARG 292 Ca 0.15 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1ura n ARG 292 Cb 0.13 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 1ura n ARG 292 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ura n ASN 293 N -1.72 -8.11 0.16 2.89 3.02 -1.26 -4.36 115.26 105.87 1ura n ASN 293 Ca 0.05 1.59 0.13 0.00 -0.03 0.00 0.00 54.58 56.32 1ura n ASN 293 Cb 0.37 -4.96 0.57 0.00 -0.61 0.00 0.00 39.78 35.15 1ura n ASN 293 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1ura h ASP 294 N 0.67 0.00 1.94 6.41 3.32 -1.96 -3.31 116.42 123.50 1ura h ASP 294 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ura h ASP 294 Cb 0.61 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1ura h ASP 294 CO 0.00 0.00 -0.06 0.77 -1.72 0.00 0.00 179.24 178.23 1ura h SER 295 N 0.00 0.00 -3.70 6.45 4.64 -1.98 -3.43 113.55 115.52 1ura h SER 295 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1ura h SER 295 Cb 0.25 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.14 1ura h SER 295 CO 0.00 0.06 -0.53 -0.69 -0.87 0.00 0.00 176.83 174.80 1ura s VAL 296 N -3.18 4.91 0.48 0.95 1.01 -1.25 -0.28 120.40 123.04 1ura s VAL 296 Ca 0.07 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 1ura s VAL 296 Cb 0.05 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1ura s VAL 296 CO 0.68 0.07 1.26 -2.16 0.00 0.00 0.00 175.10 174.94 1ura s PRO 297 N 1.67 3.59 0.71 2.72 0.04 -1.26 -4.77 135.00 137.70 1ura s PRO 297 Ca 0.05 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 1ura s PRO 297 Cb -0.17 -2.43 0.05 0.00 0.04 0.00 0.00 34.50 31.99 1ura s PRO 297 CO 0.08 -0.75 1.05 0.95 0.04 0.00 0.00 177.00 178.37 1ura s THR 298 N -1.40 2.72 0.28 1.26 -4.23 -1.26 -4.84 115.64 108.16 1ura s THR 298 Ca 0.65 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.15 1ura s THR 298 Cb -0.34 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.58 1ura s THR 298 CO 0.42 -0.22 1.91 0.25 -0.54 0.00 0.00 174.62 176.44 1ura h LEU 299 N -0.65 1.00 -0.99 4.79 5.85 -1.95 0.36 115.31 123.72 1ura h LEU 299 Ca -0.45 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1ura h LEU 299 Cb 1.30 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1ura h LEU 299 CO 0.63 0.66 -0.03 0.00 -0.34 0.00 0.00 178.44 179.35 1ura h ALA 300 N 1.47 1.16 -0.18 1.25 0.00 -1.89 0.13 119.26 121.20 1ura h ALA 300 Ca 0.40 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ura h ALA 300 Cb 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ura h ALA 300 CO -0.14 0.54 -0.19 1.96 0.00 0.00 0.00 179.25 181.42 1ura h GLN 301 N 0.65 0.45 -0.86 0.00 4.20 -1.53 0.12 115.11 118.13 1ura h GLN 301 Ca 0.13 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1ura h GLN 301 Cb 0.45 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1ura h GLN 301 CO 0.02 0.81 0.45 0.52 -0.67 0.00 0.00 178.83 179.96 1ura h MET 302 N 0.10 1.21 -0.51 1.46 2.86 -0.67 -0.36 114.93 119.01 1ura h MET 302 Ca 0.03 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1ura h MET 302 Cb 0.73 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1ura h MET 302 CO 0.05 0.90 0.14 1.15 1.06 0.00 0.00 176.91 180.20 1ura h THR 303 N 1.20 1.24 -0.38 2.22 2.02 -0.63 -0.28 112.91 118.31 1ura h THR 303 Ca 0.30 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 1ura h THR 303 Cb 0.06 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1ura h THR 303 CO -0.04 0.30 0.01 -0.78 0.37 0.00 0.00 175.52 175.38 1ura h ASP 304 N 0.71 0.64 -0.46 4.18 3.58 -0.47 -0.94 116.42 123.65 1ura h ASP 304 Ca 0.16 -0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 1ura h ASP 304 Cb 0.31 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1ura h ASP 304 CO -0.00 0.78 0.11 0.50 -2.88 0.00 0.00 179.24 177.75 1ura h LYS 305 N 0.48 0.74 -0.19 0.28 1.63 -0.97 -1.76 116.57 116.78 1ura h LYS 305 Ca 0.11 -0.18 0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1ura h LYS 305 Cb 0.45 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1ura h LYS 305 CO 0.02 0.73 0.01 0.00 -3.45 0.00 0.00 179.45 176.76 1ura h ALA 306 N 0.97 0.17 -0.56 5.00 0.00 -0.86 -1.36 119.26 122.62 1ura h ALA 306 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ura h ALA 306 Cb 0.33 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1ura h ALA 306 CO 0.00 -0.43 0.36 0.82 0.00 0.00 0.00 179.25 180.00 1ura h ILE 307 N 0.07 1.11 -0.04 0.00 2.04 -1.01 0.02 117.51 119.70 1ura h ILE 307 Ca 0.09 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1ura h ILE 307 Cb 0.10 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1ura h ILE 307 CO -0.14 0.13 -0.15 -0.08 0.00 0.00 0.00 178.15 177.90 1ura h GLU 308 N 0.72 -0.23 -0.26 2.37 4.81 -0.81 0.19 114.58 121.37 1ura h GLU 308 Ca 0.21 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1ura h GLU 308 Cb -0.04 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1ura h GLU 308 CO -0.07 -0.15 -0.02 -0.07 -0.73 0.00 0.00 179.01 177.97 1ura h LEU 309 N -0.24 0.46 -1.32 1.64 3.38 -1.04 -3.12 115.31 115.07 1ura h LEU 309 Ca 0.06 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1ura h LEU 309 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ura h LEU 309 CO -0.18 0.68 -0.22 -0.07 0.09 0.00 0.00 178.44 178.74 1ura h LEU 310 N 0.23 0.17 -0.58 1.67 4.07 -0.85 -2.84 115.31 117.19 1ura h LEU 310 Ca 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1ura h LEU 310 Cb 0.45 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1ura h LEU 310 CO 0.02 0.40 0.00 -1.54 -1.08 0.00 0.00 178.44 176.24 1ura n SER 311 N -4.21 0.47 0.23 -0.43 3.41 0.64 -2.32 113.62 111.42 1ura n SER 311 Ca -0.01 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 1ura n SER 311 Cb 0.32 -0.72 0.49 0.00 -0.26 0.00 0.00 64.21 64.04 1ura n SER 311 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ura h LYS 312 N 0.00 0.00 -6.41 4.33 1.79 -1.58 -3.41 116.57 111.29 1ura h LYS 312 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1ura h LYS 312 Cb 0.29 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 1ura h LYS 312 CO 0.00 0.21 1.12 1.21 -1.08 0.00 0.00 179.45 180.92 1ura s ASN 313 N -6.18 6.12 0.55 0.86 3.84 -0.98 -4.89 114.94 114.26 1ura s ASN 313 Ca 0.00 0.56 0.26 0.00 0.21 0.00 0.00 52.86 53.89 1ura s ASN 313 Cb 0.10 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.72 1ura s ASN 313 CO 0.63 -1.66 2.02 1.05 -2.79 0.00 0.00 177.10 176.35 1ura h GLU 314 N 11.38 0.00 -0.14 0.43 9.09 -1.89 -1.56 114.58 131.89 1ura h GLU 314 Ca -0.28 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.01 1ura h GLU 314 Cb 1.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.20 1ura h GLU 314 CO 1.14 0.00 -0.46 -0.22 0.05 0.00 0.00 179.01 179.52 1ura h LYS 315 N 0.00 0.36 0.00 1.06 1.63 -1.90 -3.50 116.57 114.22 1ura h LYS 315 Ca 0.18 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ura h LYS 315 Cb 0.81 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1ura h LYS 315 CO -0.00 0.75 0.00 0.41 -3.45 0.00 0.00 179.45 177.16 1ura n GLY 316 N -0.01 0.85 3.40 5.01 0.00 -0.59 -4.93 105.19 108.92 1ura n GLY 316 Ca -0.02 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 1ura n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ura s PHE 317 N -0.94 -0.03 -0.10 1.61 -0.12 -1.20 -0.86 117.98 116.34 1ura s PHE 317 Ca 0.00 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 1ura s PHE 317 Cb 0.00 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 1ura s PHE 317 CO 0.00 -0.79 -0.15 0.12 -0.05 0.00 0.00 175.22 174.35 1ura s PHE 318 N -3.87 1.91 -0.04 3.49 5.36 -0.39 -1.63 117.98 122.82 1ura s PHE 318 Ca 0.08 -0.86 0.01 0.00 -0.96 0.00 0.00 56.93 55.21 1ura s PHE 318 Cb 0.01 -1.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.34 1ura s PHE 318 CO -0.06 -0.44 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.05 1ura s LEU 319 N 0.90 1.37 -0.15 6.12 2.96 -0.12 -0.45 118.68 129.30 1ura s LEU 319 Ca -0.09 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1ura s LEU 319 Cb -0.15 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 1ura s LEU 319 CO 0.00 -0.05 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.28 1ura s GLN 320 N 0.87 3.34 -0.05 1.98 0.74 -0.51 -0.40 119.66 125.63 1ura s GLN 320 Ca -0.12 -0.69 0.06 0.00 0.05 0.00 0.00 55.36 54.66 1ura s GLN 320 Cb -0.14 -2.69 -0.01 0.00 1.10 0.00 0.00 33.01 31.26 1ura s GLN 320 CO 0.00 0.10 -0.25 0.08 -0.55 0.00 0.00 175.29 174.67 1ura s VAL 321 N 0.65 2.09 -0.07 1.34 1.01 0.53 -0.60 120.40 125.35 1ura s VAL 321 Ca -0.07 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1ura s VAL 321 Cb -0.15 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1ura s VAL 321 CO 0.02 0.57 -0.08 -0.70 0.00 0.00 0.00 175.10 174.92 1ura s GLU 322 N -0.28 1.36 -0.88 2.72 2.12 0.13 -0.39 118.70 123.48 1ura s GLU 322 Ca -0.00 -0.26 -0.18 0.00 0.36 0.00 0.00 54.97 54.89 1ura s GLU 322 Cb -0.13 -1.28 0.14 0.00 0.26 0.00 0.00 34.13 33.13 1ura s GLU 322 CO 0.02 -0.10 1.03 0.20 -0.54 0.00 0.00 175.26 175.88 1ura s GLY 323 N 1.08 2.03 0.03 -1.50 0.00 0.28 -2.53 107.32 106.71 1ura s GLY 323 Ca -0.07 -2.80 -0.20 0.00 0.00 0.00 0.00 44.72 41.65 1ura s GLY 323 CO -0.01 1.85 1.26 0.00 0.00 0.00 0.00 173.10 176.20 1ura h ALA 324 N 8.70 0.19 0.00 3.20 0.00 -1.90 -1.96 119.26 127.49 1ura h ALA 324 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ura h ALA 324 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ura h ALA 324 CO 1.05 0.20 0.00 0.43 0.00 0.00 0.00 179.25 180.93 1ura n SER 325 N -4.43 0.00 -0.03 0.00 7.64 -1.26 -2.62 113.62 112.92 1ura n SER 325 Ca -0.07 0.22 -0.10 0.00 1.01 0.00 0.00 58.87 59.93 1ura n SER 325 Cb 0.47 -0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 1ura n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ura h ILE 326 N 0.00 1.06 0.04 0.44 2.04 -1.75 0.61 117.51 119.94 1ura h ILE 326 Ca 0.00 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1ura h ILE 326 Cb 0.07 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1ura h ILE 326 CO 0.00 0.06 -0.02 -0.78 0.00 0.00 0.00 178.15 177.41 1ura h ASP 327 N 0.20 -0.04 -0.66 1.72 3.58 -0.64 -1.17 116.42 119.41 1ura h ASP 327 Ca 0.06 -0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.35 1ura h ASP 327 Cb 0.01 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1ura h ASP 327 CO -0.01 0.17 0.40 0.11 -2.88 0.00 0.00 179.24 177.03 1ura h LYS 328 N -0.25 0.75 -0.08 0.28 1.57 -1.61 0.17 116.57 117.41 1ura h LYS 328 Ca -0.00 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1ura h LYS 328 Cb 0.23 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1ura h LYS 328 CO 0.01 0.50 -0.44 1.96 -0.57 0.00 0.00 179.45 180.90 1ura h GLN 329 N 0.77 0.18 -0.55 3.15 1.08 -0.80 -1.61 115.11 117.34 1ura h GLN 329 Ca 0.27 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.30 1ura h GLN 329 Cb 0.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1ura h GLN 329 CO -0.12 0.60 0.03 0.22 -0.95 0.00 0.00 178.83 178.60 1ura h ASP 330 N 0.15 0.92 -0.69 1.46 1.82 -0.29 -1.52 116.42 118.28 1ura h ASP 330 Ca 0.01 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1ura h ASP 330 Cb 0.85 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 1ura h ASP 330 CO 0.07 0.99 0.44 0.45 -1.61 0.00 0.00 179.24 179.57 1ura h HIS 331 N 0.83 0.89 0.00 0.28 3.86 -0.54 -1.90 115.15 118.58 1ura h HIS 331 Ca 0.16 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1ura h HIS 331 Cb 0.50 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1ura h HIS 331 CO 0.04 0.59 0.00 0.00 0.86 0.00 0.00 177.93 179.41 1ura n ALA 332 N -2.30 2.52 -3.83 2.45 0.00 -0.65 -0.93 120.51 117.78 1ura n ALA 332 Ca 0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 1ura n ALA 332 Cb 0.04 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.26 1ura n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ura n ALA 333 N -0.76 -1.55 -3.88 0.00 0.00 -0.71 -4.70 120.51 108.89 1ura n ALA 333 Ca 0.12 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1ura n ALA 333 Cb 0.05 -3.61 -0.13 0.00 0.00 0.00 0.00 19.45 15.77 1ura n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ura s ASN 334 N -3.70 4.85 0.18 0.00 3.84 -0.64 -0.66 114.94 118.82 1ura s ASN 334 Ca 0.42 -2.52 -0.18 0.00 0.21 0.00 0.00 52.86 50.79 1ura s ASN 334 Cb -0.21 -1.72 0.14 0.00 -0.55 0.00 0.00 41.25 38.90 1ura s ASN 334 CO 0.82 -0.37 1.62 -0.65 -2.79 0.00 0.00 177.10 175.73 1ura h PRO 335 N 7.27 -0.10 -0.54 0.43 0.11 -1.85 -1.37 132.00 135.95 1ura h PRO 335 Ca -0.07 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1ura h PRO 335 Cb 0.98 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1ura h PRO 335 CO 0.65 -0.07 0.33 0.00 -0.21 0.00 0.00 178.00 178.69 1ura h GLY 337 N 0.65 0.55 0.95 0.00 0.00 -1.55 0.10 103.07 103.77 1ura h GLY 337 Ca 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1ura h GLY 337 CO -0.09 0.33 -0.21 -1.61 0.00 0.00 0.00 176.54 174.95 1ura h GLN 338 N 0.35 -0.54 -0.37 4.80 4.15 -0.95 -1.97 115.11 120.59 1ura h GLN 338 Ca 0.10 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1ura h GLN 338 Cb 0.31 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1ura h GLN 338 CO 0.00 -0.36 0.24 0.82 -1.93 0.00 0.00 178.83 177.61 1ura h ILE 339 N -0.56 1.10 -0.94 2.39 2.04 -0.63 -2.56 117.51 118.36 1ura h ILE 339 Ca -0.05 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1ura h ILE 339 Cb 0.45 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1ura h ILE 339 CO 0.06 0.10 0.61 1.23 0.00 0.00 0.00 178.15 180.15 1ura h GLY 340 N 0.50 1.41 2.00 5.37 0.00 -0.86 -0.20 103.07 111.29 1ura h GLY 340 Ca 0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1ura h GLY 340 CO -0.03 0.27 -0.20 0.83 0.00 0.00 0.00 176.54 177.41 1ura h GLU 341 N 1.03 0.00 0.02 4.80 4.39 -0.97 0.12 114.58 123.99 1ura h GLU 341 Ca 0.42 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.85 1ura h GLU 341 Cb 0.28 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1ura h GLU 341 CO -0.18 0.20 -1.09 1.15 -1.16 0.00 0.00 179.01 177.94 1ura h THR 342 N 0.00 1.28 -0.64 1.13 2.02 -0.74 -0.74 112.91 115.22 1ura h THR 342 Ca -0.00 -2.30 -0.09 0.00 0.77 0.00 0.00 66.41 64.79 1ura h THR 342 Cb 0.69 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1ura h THR 342 CO 0.03 0.71 0.06 0.58 0.37 0.00 0.00 175.52 177.26 1ura h VAL 343 N 0.37 1.26 -0.15 3.16 2.07 -0.96 -0.67 116.25 121.33 1ura h VAL 343 Ca -0.14 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1ura h VAL 343 Cb 1.74 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1ura h VAL 343 CO 0.21 0.41 0.05 -0.78 0.02 0.00 0.00 177.57 177.48 1ura h ASP 344 N 1.01 0.06 -0.89 0.57 3.58 -0.87 -2.20 116.42 117.69 1ura h ASP 344 Ca 0.19 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1ura h ASP 344 Cb 0.50 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 1ura h ASP 344 CO 0.02 0.06 0.50 0.25 -2.88 0.00 0.00 179.24 177.19 1ura h LEU 345 N 0.12 1.10 -1.00 2.28 5.85 -0.77 -2.56 115.31 120.33 1ura h LEU 345 Ca 0.06 -0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.81 1ura h LEU 345 Cb 0.03 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 1ura h LEU 345 CO -0.06 0.87 0.63 -0.78 -0.34 0.00 0.00 178.44 178.76 1ura h ASP 346 N 1.24 0.93 -0.61 1.25 3.58 -0.51 -0.37 116.42 121.94 1ura h ASP 346 Ca 0.31 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.77 1ura h ASP 346 Cb 0.00 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1ura h ASP 346 CO -0.05 0.50 0.21 -0.33 -2.88 0.00 0.00 179.24 176.68 1ura h GLU 347 N 1.00 0.93 -0.83 0.28 5.08 -1.13 -1.55 114.58 118.36 1ura h GLU 347 Ca 0.49 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1ura h GLU 347 Cb 0.47 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1ura h GLU 347 CO -0.26 0.82 0.38 0.00 -1.00 0.00 0.00 179.01 178.95 1ura h ALA 348 N 1.07 1.07 -0.85 3.43 0.00 -1.10 -2.14 119.26 120.73 1ura h ALA 348 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ura h ALA 348 Cb 0.26 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ura h ALA 348 CO -0.01 0.65 0.42 0.28 0.00 0.00 0.00 179.25 180.58 1ura h VAL 349 N 1.18 1.26 -0.48 0.00 2.07 -0.70 -2.09 116.25 117.49 1ura h VAL 349 Ca 0.28 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1ura h VAL 349 Cb 0.14 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1ura h VAL 349 CO -0.03 0.31 0.28 1.56 0.02 0.00 0.00 177.57 179.71 1ura h GLN 350 N 1.21 0.66 -0.44 1.57 4.20 -0.68 0.77 115.11 122.41 1ura h GLN 350 Ca 0.29 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1ura h GLN 350 Cb 0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1ura h GLN 350 CO -0.04 0.50 0.29 0.00 -0.67 0.00 0.00 178.83 178.92 1ura h ARG 351 N 0.64 0.58 -0.25 1.46 2.47 -1.13 0.13 114.38 118.29 1ura h ARG 351 Ca 0.17 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1ura h ARG 351 Cb 0.02 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1ura h ARG 351 CO -0.03 0.39 0.13 0.00 0.56 0.00 0.00 179.97 181.02 1ura h ALA 352 N 1.16 0.32 -0.50 0.04 0.00 -0.99 -2.43 119.26 116.86 1ura h ALA 352 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1ura h ALA 352 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ura h ALA 352 CO -0.03 -0.15 0.07 1.25 0.00 0.00 0.00 179.25 180.39 1ura h LEU 353 N 0.28 0.73 0.42 0.00 5.85 -0.59 -0.18 115.31 121.82 1ura h LEU 353 Ca 0.09 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1ura h LEU 353 Cb 0.08 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1ura h LEU 353 CO -0.01 0.76 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.56 1ura h GLU 354 N 0.74 -0.54 -0.26 1.25 4.57 -0.76 0.14 114.58 119.72 1ura h GLU 354 Ca 0.16 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1ura h GLU 354 Cb 0.35 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1ura h GLU 354 CO 0.01 -0.34 0.15 0.35 -1.18 0.00 0.00 179.01 177.99 1ura h PHE 355 N -0.59 0.28 -0.94 0.92 3.57 -1.27 -2.46 116.94 116.45 1ura h PHE 355 Ca -0.06 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1ura h PHE 355 Cb 0.44 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1ura h PHE 355 CO -0.04 0.16 0.61 0.00 -2.23 0.00 0.00 178.31 176.81 1ura h ALA 356 N 1.12 1.44 -0.70 2.41 0.00 -0.89 0.15 119.26 122.79 1ura h ALA 356 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ura h ALA 356 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ura h ALA 356 CO -0.05 0.44 0.25 -0.22 0.00 0.00 0.00 179.25 179.66 1ura h LYS 357 N 1.12 1.07 0.08 0.00 3.64 -0.54 -1.17 116.57 120.76 1ura h LYS 357 Ca 0.39 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1ura h LYS 357 Cb 0.11 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1ura h LYS 357 CO -0.14 0.90 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.69 1ura h LYS 358 N 1.01 -0.10 -0.56 1.90 3.64 -0.95 -3.33 116.57 118.18 1ura h LYS 358 Ca 0.23 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1ura h LYS 358 Cb 0.26 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1ura h LYS 358 CO -0.01 0.41 0.29 1.49 -2.27 0.00 0.00 179.45 179.35 1ura h GLU 359 N -0.68 0.53 0.00 1.90 4.57 -0.70 -3.47 114.58 116.73 1ura h GLU 359 Ca -0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ura h GLU 359 Cb 0.55 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1ura h GLU 359 CO 0.02 0.35 0.00 0.41 -1.18 0.00 0.00 179.01 178.61 1ura n GLY 360 N -1.26 2.97 1.07 1.92 0.00 -0.45 -4.78 105.19 104.66 1ura n GLY 360 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1ura n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ura n ASN 361 N 0.00 1.51 -4.32 1.61 3.02 -1.26 -4.82 115.26 111.00 1ura n ASN 361 Ca 0.00 -3.06 -0.33 0.00 -0.03 0.00 0.00 54.58 51.16 1ura n ASN 361 Cb 0.00 -0.43 -0.15 0.00 -0.61 0.00 0.00 39.78 38.59 1ura n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ura s THR 362 N -1.94 2.79 -0.26 3.41 2.01 -1.26 -0.34 115.64 120.05 1ura s THR 362 Ca 0.36 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 1ura s THR 362 Cb 0.38 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1ura s THR 362 CO -0.11 0.53 0.45 -0.22 -0.69 0.00 0.00 174.62 174.58 1ura s LEU 363 N 0.50 4.06 -0.13 4.42 2.96 -0.36 -4.32 118.68 125.81 1ura s LEU 363 Ca -0.10 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1ura s LEU 363 Cb -0.16 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1ura s LEU 363 CO 0.04 -0.23 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.05 1ura s VAL 364 N 2.11 3.27 -0.04 1.68 1.01 0.03 -1.06 120.40 127.40 1ura s VAL 364 Ca 0.19 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1ura s VAL 364 Cb -0.16 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1ura s VAL 364 CO 0.09 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.96 1ura s ILE 365 N 0.24 1.07 -0.13 2.22 1.01 -0.54 -1.00 121.20 124.06 1ura s ILE 365 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1ura s ILE 365 Cb -0.15 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.40 1ura s ILE 365 CO 0.05 0.32 -0.12 -0.69 0.00 0.00 0.00 174.94 174.50 1ura s VAL 366 N 0.20 1.40 0.20 2.92 1.01 -0.10 0.15 120.40 126.17 1ura s VAL 366 Ca -0.05 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1ura s VAL 366 Cb -0.11 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1ura s VAL 366 CO 0.01 0.43 0.38 1.07 0.00 0.00 0.00 175.10 177.00 1ura n THR 367 N 4.77 0.00 -4.42 3.92 5.66 -0.62 -1.61 114.28 121.99 1ura n THR 367 Ca -0.16 -0.58 -0.21 0.00 -3.05 0.00 0.00 64.05 60.05 1ura n THR 367 Cb 0.50 0.52 -0.10 0.00 -1.55 0.00 0.00 70.33 69.70 1ura n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ura s ALA 368 N -1.67 2.31 0.07 1.79 0.00 -1.26 -0.68 121.76 122.33 1ura s ALA 368 Ca 0.09 -1.86 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 1ura s ALA 368 Cb -0.02 0.11 -0.28 0.00 0.00 0.00 0.00 23.12 22.92 1ura s ALA 368 CO 0.07 -0.02 1.13 0.38 0.00 0.00 0.00 175.76 177.31 1ura h ASP 369 N 2.33 0.51 -5.03 0.00 2.03 -1.92 -3.48 116.42 110.85 1ura h ASP 369 Ca -0.40 -0.53 0.09 0.00 -0.73 0.00 0.00 57.03 55.46 1ura h ASP 369 Cb 1.23 -0.16 -0.09 0.00 -0.83 0.00 0.00 39.33 39.48 1ura h ASP 369 CO 0.66 1.41 0.35 -1.38 -1.03 0.00 0.00 179.24 179.25 1ura s HIS 370 N -2.69 -0.28 0.62 4.15 -3.43 -1.26 -4.86 115.29 107.55 1ura s HIS 370 Ca -0.05 -0.03 -0.09 0.00 -0.80 0.00 0.00 55.06 54.09 1ura s HIS 370 Cb 0.07 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 31.83 1ura s HIS 370 CO 0.89 -0.91 0.99 0.00 -2.00 0.00 0.00 174.74 173.71 1ura s ALA 371 N -3.56 3.12 0.00 -1.38 0.00 -1.19 -3.62 121.76 115.13 1ura s ALA 371 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1ura s ALA 371 Cb -0.03 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1ura s ALA 371 CO -0.02 -0.81 0.00 1.58 0.00 0.00 0.00 175.76 176.51 1ura n HIS 372 N -2.73 0.00 0.01 0.00 -0.00 -1.25 -1.57 115.22 109.69 1ura n HIS 372 Ca 0.05 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.04 1ura n HIS 372 Cb 0.56 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.29 1ura n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ura h ALA 373 N 1.00 -0.00 -1.46 1.57 0.00 -1.87 -3.37 119.26 115.13 1ura h ALA 373 Ca 0.00 -0.76 -0.67 0.00 0.00 0.00 0.00 54.91 53.48 1ura h ALA 373 Cb 0.00 0.19 0.09 0.00 0.00 0.00 0.00 17.79 18.07 1ura h ALA 373 CO 0.00 0.41 -0.04 -1.13 0.00 0.00 0.00 179.25 178.48 1ura n SER 374 N -4.19 0.32 -4.03 0.00 3.41 -1.26 -4.72 113.62 103.15 1ura n SER 374 Ca -0.16 1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1ura n SER 374 Cb 0.77 -1.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.49 1ura n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ura s GLN 375 N -0.77 0.49 -0.25 4.33 -0.21 -0.35 -4.73 119.66 118.16 1ura s GLN 375 Ca 0.70 -0.62 -0.15 0.00 0.02 0.00 0.00 55.36 55.30 1ura s GLN 375 Cb -0.90 -0.29 -0.04 0.00 1.00 0.00 0.00 33.01 32.78 1ura s GLN 375 CO 0.56 0.06 0.38 0.42 -2.12 0.00 0.00 175.29 174.58 1ura s ILE 376 N -1.11 5.19 0.29 1.08 1.01 -1.26 -0.28 121.20 126.12 1ura s ILE 376 Ca -0.08 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.22 1ura s ILE 376 Cb -0.08 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 1ura s ILE 376 CO 0.00 0.19 0.01 0.68 0.00 0.00 0.00 174.94 175.82 1ura s VAL 377 N 1.83 1.32 0.46 2.92 -7.23 -0.39 -4.98 120.40 114.34 1ura s VAL 377 Ca 0.16 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 58.05 1ura s VAL 377 Cb -0.15 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 1ura s VAL 377 CO 0.09 -0.16 1.11 0.00 -0.31 0.00 0.00 175.10 175.84 1ura n ALA 378 N -0.61 0.65 -0.27 1.32 0.00 -1.26 -3.83 120.51 116.51 1ura n ALA 378 Ca -0.04 0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.65 1ura n ALA 378 Cb 0.65 -2.17 0.18 0.00 0.00 0.00 0.00 19.45 18.12 1ura n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ura h PRO 379 N 1.55 0.58 -0.87 0.00 0.11 -1.93 -2.04 132.00 129.40 1ura h PRO 379 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1ura h PRO 379 Cb 1.32 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1ura h PRO 379 CO 0.57 0.39 0.06 -0.40 -0.21 0.00 0.00 178.00 178.40 1ura n ASP 380 N -4.88 2.95 -4.72 -2.05 5.75 -1.26 -4.80 116.55 107.54 1ura n ASP 380 Ca 0.14 -2.42 -0.42 0.00 -0.01 0.00 0.00 54.79 52.08 1ura n ASP 380 Cb 0.36 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 1ura n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ura s THR 381 N -1.60 3.85 -0.61 2.12 2.01 -0.77 -4.99 115.64 115.66 1ura s THR 381 Ca 0.21 1.35 -0.10 0.00 0.31 0.00 0.00 61.69 63.47 1ura s THR 381 Cb 0.17 -3.86 0.16 0.00 0.01 0.00 0.00 72.50 68.97 1ura s THR 381 CO 0.06 0.12 0.50 -0.54 -0.69 0.00 0.00 174.62 174.06 1ura s LYS 382 N 0.94 2.85 0.19 4.92 1.02 -1.26 -4.86 119.74 123.53 1ura s LYS 382 Ca 0.59 -2.13 0.05 0.00 0.02 0.00 0.00 55.97 54.50 1ura s LYS 382 Cb -0.31 -4.05 -0.04 0.00 -0.52 0.00 0.00 37.83 32.91 1ura s LYS 382 CO 0.30 -1.23 0.22 0.00 -0.92 0.00 0.00 175.35 173.72 1ura s ALA 383 N 0.73 3.72 -0.78 5.17 0.00 -1.26 -5.03 121.76 124.30 1ura s ALA 383 Ca 0.11 -1.23 0.26 0.00 0.00 0.00 0.00 51.96 51.11 1ura s ALA 383 Cb -0.21 -1.50 0.92 0.00 0.00 0.00 0.00 23.12 22.33 1ura s ALA 383 CO -0.03 0.41 1.79 -0.35 0.00 0.00 0.00 175.76 177.58 1ura n PRO 384 N -0.76 0.19 0.00 0.00 -0.04 -1.26 -4.55 135.00 128.57 1ura n PRO 384 Ca -0.08 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ura n PRO 384 Cb 0.56 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1ura n PRO 384 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ura n GLY 385 N 1.17 2.09 3.71 0.55 0.00 -1.26 -5.01 105.19 106.45 1ura n GLY 385 Ca 0.05 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 1ura n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ura s LEU 386 N 0.00 4.05 0.14 0.99 2.01 0.30 -4.05 118.68 122.11 1ura s LEU 386 Ca 0.00 0.20 0.02 0.00 0.01 0.00 0.00 54.13 54.36 1ura s LEU 386 Cb 0.00 -2.02 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 1ura s LEU 386 CO 0.00 0.22 -0.02 0.42 1.01 0.00 0.00 176.35 177.98 1ura s THR 387 N 0.09 0.66 -0.27 5.49 -4.23 -0.14 -0.51 115.64 116.73 1ura s THR 387 Ca 0.07 -1.96 -0.23 0.00 -1.18 0.00 0.00 61.69 58.39 1ura s THR 387 Cb -0.12 -1.93 0.08 0.00 1.34 0.00 0.00 72.50 71.88 1ura s THR 387 CO -0.00 -0.64 0.78 -1.58 -0.54 0.00 0.00 174.62 172.64 1ura s GLN 388 N -3.89 0.74 -0.08 3.99 0.74 -0.90 -1.99 119.66 118.27 1ura s GLN 388 Ca 0.19 0.95 -0.11 0.00 0.05 0.00 0.00 55.36 56.44 1ura s GLN 388 Cb 0.06 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.45 1ura s GLN 388 CO 0.00 -0.10 0.25 0.00 -0.55 0.00 0.00 175.29 174.90 1ura s ALA 389 N 0.57 3.78 0.01 1.58 0.00 -1.26 -1.53 121.76 124.91 1ura s ALA 389 Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1ura s ALA 389 Cb -0.05 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1ura s ALA 389 CO -0.04 0.51 -0.18 -0.51 0.00 0.00 0.00 175.76 175.54 1ura s LEU 390 N -0.86 2.10 -0.45 0.00 1.43 0.83 -0.24 118.68 121.49 1ura s LEU 390 Ca 0.18 -0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 52.64 1ura s LEU 390 Cb -0.14 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1ura s LEU 390 CO 0.07 0.17 0.86 0.20 0.23 0.00 0.00 176.35 177.88 1ura s ASN 391 N -0.77 6.47 0.77 2.29 0.02 0.58 -1.57 114.94 122.74 1ura s ASN 391 Ca 0.06 0.06 -0.08 0.00 -1.02 0.00 0.00 52.86 51.88 1ura s ASN 391 Cb -0.08 -2.42 0.10 0.00 0.02 0.00 0.00 41.25 38.88 1ura s ASN 391 CO 0.00 -0.97 1.09 0.42 0.02 0.00 0.00 177.10 177.66 1ura s THR 392 N 3.52 2.17 0.47 1.60 -4.23 -0.51 -4.82 115.64 113.84 1ura s THR 392 Ca 0.34 -0.25 0.39 0.00 -1.18 0.00 0.00 61.69 60.99 1ura s THR 392 Cb -0.11 -2.93 0.41 0.00 1.34 0.00 0.00 72.50 71.22 1ura s THR 392 CO 0.24 0.00 2.22 0.50 -0.54 0.00 0.00 174.62 177.04 1ura h LYS 393 N -0.84 0.00 -0.00 3.99 1.63 -1.36 -0.84 116.57 119.14 1ura h LYS 393 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1ura h LYS 393 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1ura h LYS 393 CO 0.53 0.01 -0.03 -0.25 -3.45 0.00 0.00 179.45 176.26 1ura n ASP 394 N -3.17 0.08 -0.39 4.20 8.00 -1.26 -4.88 116.55 119.13 1ura n ASP 394 Ca -0.02 -0.14 -0.05 0.00 0.71 0.00 0.00 54.79 55.30 1ura n ASP 394 Cb 0.16 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 1ura n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ura n GLY 395 N 1.31 0.62 3.50 0.44 0.00 -0.32 -5.02 105.19 105.72 1ura n GLY 395 Ca 0.13 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 1ura n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ura s ALA 396 N -2.18 2.69 -0.13 4.61 0.00 -1.26 -4.94 121.76 120.55 1ura s ALA 396 Ca 0.00 -2.05 -0.11 0.00 0.00 0.00 0.00 51.96 49.80 1ura s ALA 396 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 1ura s ALA 396 CO 0.00 -0.05 0.23 0.08 0.00 0.00 0.00 175.76 176.03 1ura s VAL 397 N -2.85 5.34 -0.05 0.00 1.01 -1.26 -1.42 120.40 121.16 1ura s VAL 397 Ca 0.32 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.77 1ura s VAL 397 Cb 0.05 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1ura s VAL 397 CO 0.15 0.49 -0.21 -0.32 0.00 0.00 0.00 175.10 175.22 1ura s MET 398 N -0.21 2.18 -0.12 2.72 0.00 -0.61 -4.88 119.30 118.38 1ura s MET 398 Ca 0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 55.69 55.09 1ura s MET 398 Cb -0.13 -1.84 -0.03 0.00 0.00 0.00 0.00 34.83 32.83 1ura s MET 398 CO 0.04 0.29 -0.05 0.08 0.00 0.00 0.00 175.02 175.37 1ura s VAL 399 N 0.00 3.79 -0.05 10.11 1.01 -1.25 -0.12 120.40 133.89 1ura s VAL 399 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1ura s VAL 399 Cb -0.13 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1ura s VAL 399 CO 0.03 0.54 -0.17 -0.04 0.00 0.00 0.00 175.10 175.46 1ura s MET 400 N -0.10 2.45 0.03 2.72 -1.94 -0.58 -1.26 119.30 120.62 1ura s MET 400 Ca 0.02 -0.74 0.07 0.00 -1.71 0.00 0.00 55.69 53.32 1ura s MET 400 Cb -0.13 -2.32 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 1ura s MET 400 CO 0.03 0.59 -0.21 0.45 -0.01 0.00 0.00 175.02 175.87 1ura s SER 401 N -0.67 2.53 -0.26 3.03 0.15 0.61 -2.12 113.70 116.97 1ura s SER 401 Ca 0.10 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 1ura s SER 401 Cb -0.11 -0.23 0.08 0.00 -1.71 0.00 0.00 66.02 64.05 1ura s SER 401 CO 0.00 0.19 0.06 -0.31 1.20 0.00 0.00 173.24 174.39 1ura s TYR 402 N -0.72 1.47 -0.15 3.44 1.51 0.33 -1.21 117.35 122.02 1ura s TYR 402 Ca 0.08 -1.37 0.24 0.00 -1.01 0.00 0.00 57.07 55.01 1ura s TYR 402 Cb -0.09 -1.41 0.47 0.00 -0.11 0.00 0.00 41.96 40.83 1ura s TYR 402 CO 0.01 -0.76 1.14 0.41 -1.11 0.00 0.00 175.55 175.24 1ura n GLY 403 N 4.92 1.58 0.64 0.71 0.00 -1.26 -0.54 105.19 111.24 1ura n GLY 403 Ca -0.06 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.01 1ura n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ura n ASN 404 N -0.15 2.93 -3.50 1.61 6.94 -1.26 -4.84 115.26 116.98 1ura n ASN 404 Ca 0.07 -2.00 -0.17 0.00 -0.02 0.00 0.00 54.58 52.47 1ura n ASN 404 Cb 0.95 -0.23 -0.05 0.00 -2.36 0.00 0.00 39.78 38.08 1ura n ASN 404 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1ura s SER 405 N -1.00 -0.65 -0.04 0.53 0.15 -1.26 -4.60 113.70 106.83 1ura s SER 405 Ca 0.23 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.54 1ura s SER 405 Cb 0.12 0.55 -0.08 0.00 -1.71 0.00 0.00 66.02 64.90 1ura s SER 405 CO 0.16 -0.67 0.06 -0.62 1.20 0.00 0.00 173.24 173.38 1ura n GLU 406 N 0.70 1.93 0.00 5.44 1.02 -1.26 -4.92 120.64 123.55 1ura n GLU 406 Ca -0.19 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1ura n GLU 406 Cb 0.58 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1ura n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ura n GLU 407 N -2.01 2.45 0.40 3.49 1.02 -1.26 -4.92 120.64 119.81 1ura n GLU 407 Ca -0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.92 1ura n GLU 407 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.82 1ura n GLU 407 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1ura h ASP 408 N 0.00 -0.88 -1.98 1.62 3.04 -1.99 -3.46 116.42 112.77 1ura h ASP 408 Ca 0.00 0.02 -0.61 0.00 -3.24 0.00 0.00 57.03 53.21 1ura h ASP 408 Cb 0.00 0.23 -0.13 0.00 -1.04 0.00 0.00 39.33 38.39 1ura h ASP 408 CO 0.00 -0.52 -0.67 -0.44 -2.04 0.00 0.00 179.24 175.57 1ura s SER 409 N -4.36 3.87 0.07 4.15 0.01 -1.26 -4.95 113.70 111.23 1ura s SER 409 Ca -0.16 -1.09 -0.17 0.00 1.31 0.00 0.00 55.95 55.84 1ura s SER 409 Cb 0.02 -0.41 -0.06 0.00 0.21 0.00 0.00 66.02 65.77 1ura s SER 409 CO 0.48 -0.17 0.53 -1.10 0.41 0.00 0.00 173.24 173.39 1ura s GLN 410 N -3.63 4.10 0.67 12.44 -1.52 -0.10 -4.76 119.66 126.86 1ura s GLN 410 Ca 0.33 0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 54.24 1ura s GLN 410 Cb 0.00 -3.18 -0.01 0.00 -0.22 0.00 0.00 33.01 29.61 1ura s GLN 410 CO 0.17 0.62 1.05 -1.21 -0.25 0.00 0.00 175.29 175.68 1ura s GLU 411 N -1.26 3.10 0.78 2.91 8.01 -1.26 -4.54 118.70 126.43 1ura s GLU 411 Ca 0.29 0.94 -0.12 0.00 0.01 0.00 0.00 54.97 56.10 1ura s GLU 411 Cb -0.18 -2.01 0.06 0.00 -4.31 0.00 0.00 34.13 27.68 1ura s GLU 411 CO 0.18 -0.97 1.12 -1.01 0.01 0.00 0.00 175.26 174.59 1ura s HIS 412 N -3.01 3.03 0.13 1.61 3.76 -1.26 -3.11 115.29 116.43 1ura s HIS 412 Ca 0.58 0.98 0.06 0.00 -0.15 0.00 0.00 55.06 56.53 1ura s HIS 412 Cb -0.14 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 1ura s HIS 412 CO 0.53 -1.60 -0.14 0.95 -0.85 0.00 0.00 174.74 173.63 1ura s THR 413 N -3.35 1.37 -2.21 1.30 -4.23 -0.61 -4.84 115.64 103.07 1ura s THR 413 Ca 0.60 -1.78 0.18 0.00 -1.18 0.00 0.00 61.69 59.51 1ura s THR 413 Cb -0.12 -1.60 0.42 0.00 1.34 0.00 0.00 72.50 72.54 1ura s THR 413 CO 0.52 -0.45 1.47 0.61 -0.54 0.00 0.00 174.62 176.23 1ura n GLY 414 N 0.41 0.42 3.72 3.99 0.00 -1.26 -3.14 105.19 109.31 1ura n GLY 414 Ca -0.14 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1ura n GLY 414 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ura n SER 415 N 0.40 2.96 -4.73 1.61 2.88 -1.26 -4.84 113.62 110.64 1ura n SER 415 Ca 0.15 1.20 -0.34 0.00 -1.33 0.00 0.00 58.87 58.56 1ura n SER 415 Cb 0.33 -1.51 0.08 0.00 -0.75 0.00 0.00 64.21 62.36 1ura n SER 415 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ura s GLN 416 N -1.96 2.27 0.21 -1.46 -2.07 -1.26 -4.34 119.66 111.05 1ura s GLN 416 Ca 0.55 1.63 -0.04 0.00 -1.82 0.00 0.00 55.36 55.68 1ura s GLN 416 Cb -0.54 -1.86 -0.03 0.00 -1.09 0.00 0.00 33.01 29.48 1ura s GLN 416 CO 0.62 -1.71 0.22 -0.48 -1.32 0.00 0.00 175.29 172.62 1ura s LEU 417 N -5.16 0.95 0.37 2.60 0.05 -1.11 -4.89 118.68 111.49 1ura s LEU 417 Ca 0.71 -1.27 -0.28 0.00 0.05 0.00 0.00 54.13 53.35 1ura s LEU 417 Cb -0.26 0.74 -0.11 0.00 -2.05 0.00 0.00 46.19 44.51 1ura s LEU 417 CO 0.45 -0.91 1.45 -0.60 -0.55 0.00 0.00 176.35 176.18 1ura s ARG 418 N -4.12 4.16 -0.04 1.48 3.52 -1.26 -1.42 118.95 121.27 1ura s ARG 418 Ca 0.34 2.50 -0.01 0.00 -0.13 0.00 0.00 55.73 58.43 1ura s ARG 418 Cb 0.05 -2.99 0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1ura s ARG 418 CO 0.11 -0.46 0.04 -1.50 -0.81 0.00 0.00 175.30 172.68 1ura s ILE 419 N -1.13 -0.03 0.13 4.11 2.07 -0.70 -4.27 121.20 121.39 1ura s ILE 419 Ca 0.52 0.31 0.09 0.00 -1.41 0.00 0.00 60.65 60.16 1ura s ILE 419 Cb -0.45 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 1ura s ILE 419 CO 0.61 0.16 -0.20 0.00 -1.91 0.00 0.00 174.94 173.59 1ura s ALA 420 N 1.73 1.92 0.19 1.50 0.00 -0.64 -1.07 121.76 125.39 1ura s ALA 420 Ca -0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 1ura s ALA 420 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1ura s ALA 420 CO -0.03 0.33 0.34 0.00 0.00 0.00 0.00 175.76 176.40 1ura s ALA 421 N -1.47 -0.05 -0.16 0.00 0.00 0.09 -0.93 121.76 119.24 1ura s ALA 421 Ca 0.10 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 1ura s ALA 421 Cb -0.08 0.95 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1ura s ALA 421 CO 0.05 -0.71 0.43 -0.47 0.00 0.00 0.00 175.76 175.07 1ura s TYR 422 N -3.99 -0.48 0.00 0.00 5.04 -0.17 -2.81 117.35 114.95 1ura s TYR 422 Ca 0.19 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 1ura s TYR 422 Cb 0.02 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1ura s TYR 422 CO 0.03 -0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 1ura n GLY 423 N 2.87 -1.02 3.73 8.97 0.00 -1.26 -0.79 105.19 117.69 1ura n GLY 423 Ca -0.13 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 1ura n GLY 423 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ura n PRO 424 N -0.06 2.57 -0.99 1.61 -0.02 -1.26 -2.42 135.00 134.42 1ura n PRO 424 Ca 0.00 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1ura n PRO 424 Cb 0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.80 1ura n PRO 424 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ura n HIS 425 N 2.29 0.00 0.26 6.00 8.25 -0.09 -4.68 115.22 127.24 1ura n HIS 425 Ca 0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.67 1ura n HIS 425 Cb 0.35 -0.83 0.70 0.00 1.12 0.00 0.00 29.99 31.34 1ura n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ura h ALA 426 N 0.00 1.45 -0.44 -1.41 0.00 -1.72 -2.42 119.26 114.72 1ura h ALA 426 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1ura h ALA 426 Cb 0.40 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ura h ALA 426 CO 0.00 0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.80 1ura h ALA 427 N 1.89 2.20 0.00 0.00 0.00 -1.89 -1.75 119.26 119.71 1ura h ALA 427 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ura h ALA 427 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ura h ALA 427 CO 0.01 -0.64 0.00 0.09 0.00 0.00 0.00 179.25 178.71 1ura n ASN 428 N -3.89 0.00 -0.11 0.00 3.02 -0.91 -1.81 115.26 111.56 1ura n ASN 428 Ca 0.08 -0.53 0.05 0.00 -0.03 0.00 0.00 54.58 54.14 1ura n ASN 428 Cb 0.60 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 1ura n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ura n VAL 429 N -0.84 0.00 -2.58 2.41 0.24 -0.66 -4.98 118.33 111.92 1ura n VAL 429 Ca 0.07 -0.34 -0.37 0.00 -2.04 0.00 0.00 64.34 61.66 1ura n VAL 429 Cb 0.03 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.41 1ura n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ura s VAL 430 N -1.61 3.80 0.00 3.34 1.01 -0.75 -3.44 120.40 122.76 1ura s VAL 430 Ca 0.06 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1ura s VAL 430 Cb 0.07 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1ura s VAL 430 CO 0.31 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1ura n GLY 431 N 0.41 -1.30 3.71 4.51 0.00 -1.25 -4.78 105.19 106.48 1ura n GLY 431 Ca 0.04 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1ura n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ura s LEU 432 N 0.00 4.22 0.28 0.99 2.96 -1.26 -1.52 118.68 124.35 1ura s LEU 432 Ca 0.00 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1ura s LEU 432 Cb 0.00 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 1ura s LEU 432 CO 0.00 0.03 0.25 0.42 -1.32 0.00 0.00 176.35 175.73 1ura s THR 433 N 0.75 0.00 0.18 3.68 -4.23 -0.89 -5.01 115.64 110.12 1ura s THR 433 Ca 0.19 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 58.82 1ura s THR 433 Cb -0.14 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1ura s THR 433 CO 0.06 0.00 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.50 1ura s ASP 434 N -3.28 4.65 0.44 3.99 2.15 -1.26 -1.35 116.67 122.02 1ura s ASP 434 Ca 0.39 -0.45 0.15 0.00 0.43 0.00 0.00 52.55 53.06 1ura s ASP 434 Cb 0.04 -0.94 1.06 0.00 -0.30 0.00 0.00 42.92 42.77 1ura s ASP 434 CO 0.21 0.08 1.98 -0.61 -0.17 0.00 0.00 175.17 176.66 1ura h GLN 435 N 2.65 0.36 0.00 4.34 4.15 -1.43 0.40 115.11 125.59 1ura h GLN 435 Ca -0.47 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 58.87 1ura h GLN 435 Cb 1.21 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 1ura h GLN 435 CO 0.57 0.24 -0.30 1.79 -1.93 0.00 0.00 178.83 179.21 1ura h THR 436 N 0.38 0.94 -0.13 2.39 1.35 -1.85 -2.48 112.91 113.50 1ura h THR 436 Ca 0.28 -1.14 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 1ura h THR 436 Cb 0.59 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1ura h THR 436 CO -0.07 0.29 0.01 0.44 -0.25 0.00 0.00 175.52 175.93 1ura h ASP 437 N 0.00 0.16 -0.53 5.36 3.32 -1.23 -2.01 116.42 121.50 1ura h ASP 437 Ca -0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ura h ASP 437 Cb 0.64 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1ura h ASP 437 CO 0.04 0.19 0.33 0.25 -1.72 0.00 0.00 179.24 178.33 1ura h LEU 438 N 0.18 0.63 0.21 1.55 5.85 -1.46 0.81 115.31 123.08 1ura h LEU 438 Ca 0.04 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ura h LEU 438 Cb 0.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1ura h LEU 438 CO 0.00 0.48 -0.10 0.15 -0.34 0.00 0.00 178.44 178.63 1ura h PHE 439 N 0.73 -0.26 -0.50 1.25 3.57 -1.41 -0.79 116.94 119.52 1ura h PHE 439 Ca 0.19 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1ura h PHE 439 Cb -0.05 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1ura h PHE 439 CO 0.00 -0.07 0.19 1.88 -2.23 0.00 0.00 178.31 178.09 1ura h TYR 440 N -0.41 0.72 -0.14 0.41 -1.99 -1.43 -0.53 116.97 113.60 1ura h TYR 440 Ca -0.03 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1ura h TYR 440 Cb 0.32 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1ura h TYR 440 CO -0.03 0.57 0.03 1.15 -0.00 0.00 0.00 178.16 179.89 1ura h THR 441 N 0.72 1.20 -0.51 -2.88 2.02 -0.64 -0.03 112.91 112.79 1ura h THR 441 Ca 0.17 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1ura h THR 441 Cb 0.16 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1ura h THR 441 CO -0.02 0.19 0.14 0.24 0.37 0.00 0.00 175.52 176.45 1ura h MET 442 N 0.03 0.81 -0.24 6.66 2.86 -0.86 -0.60 114.93 123.58 1ura h MET 442 Ca 0.04 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1ura h MET 442 Cb 0.27 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1ura h MET 442 CO 0.00 0.76 0.16 -0.22 1.06 0.00 0.00 176.91 178.67 1ura h LYS 443 N 0.70 0.32 -0.37 1.72 3.64 -0.98 -2.08 116.57 119.52 1ura h LYS 443 Ca 0.16 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1ura h LYS 443 Cb 0.30 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1ura h LYS 443 CO -0.00 0.22 -0.03 0.00 -2.27 0.00 0.00 179.45 177.36 1ura h ALA 444 N 1.08 0.50 -0.76 5.00 0.00 -0.87 -1.14 119.26 123.08 1ura h ALA 444 Ca 0.09 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ura h ALA 444 Cb -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1ura h ALA 444 CO -0.02 0.30 0.46 0.00 0.00 0.00 0.00 179.25 180.00 1ura h ALA 445 N 0.85 1.02 0.00 0.00 0.00 -0.96 -0.97 119.26 119.20 1ura h ALA 445 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ura h ALA 445 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ura h ALA 445 CO 0.03 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1ura n LEU 446 N -4.68 0.00 -1.42 0.00 4.32 -0.80 -1.31 117.00 113.12 1ura n LEU 446 Ca 0.10 0.50 -0.12 0.00 -0.02 0.00 0.00 56.01 56.46 1ura n LEU 446 Cb 0.15 -0.50 -0.01 0.00 -1.62 0.00 0.00 43.42 41.44 1ura n LEU 446 CO 0.31 -0.01 -0.16 0.61 -1.22 0.00 0.00 177.39 176.92 1ura n GLY 447 N 1.44 -0.11 3.66 -0.72 0.00 -0.37 -4.93 105.19 104.16 1ura n GLY 447 Ca 0.07 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1ura n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ura s LEU 448 N -3.58 4.23 0.00 0.99 1.02 -0.51 -5.03 118.68 115.80 1ura s LEU 448 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 54.13 56.01 1ura s LEU 448 Cb 0.00 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.67 1ura s LEU 448 CO 0.00 -0.79 0.16 2.29 0.02 0.00 0.00 176.35 178.02