#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p81 n SER 28 N 0.00 0.00 -4.59 1.67 3.41 -1.26 -4.82 113.62 108.03 1p81 n SER 28 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1p81 n SER 28 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1p81 n SER 28 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1p81 s LEU 29 N 0.00 2.83 0.65 1.04 0.05 -1.26 -5.10 118.68 116.89 1p81 s LEU 29 Ca 0.00 -1.30 -0.17 0.00 0.05 0.00 0.00 54.13 52.71 1p81 s LEU 29 Cb 0.00 -0.94 -0.05 0.00 -2.05 0.00 0.00 46.19 43.15 1p81 s LEU 29 CO 0.00 -0.36 0.67 0.00 -0.55 0.00 0.00 176.35 176.11 1p81 n ALA 30 N -0.91 -0.90 -1.57 1.48 0.00 -1.26 -4.93 120.51 112.41 1p81 n ALA 30 Ca -0.05 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1p81 n ALA 30 Cb 0.66 -1.93 0.06 0.00 0.00 0.00 0.00 19.45 18.24 1p81 n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p81 s PRO 31 N -2.63 2.57 0.23 0.00 0.04 -1.26 -4.92 135.00 129.03 1p81 s PRO 31 Ca 0.70 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 63.47 1p81 s PRO 31 Cb -0.39 -1.88 0.38 0.00 0.04 0.00 0.00 34.50 32.65 1p81 s PRO 31 CO 0.53 -1.52 1.74 1.49 0.04 0.00 0.00 177.00 179.29 1p81 h GLU 32 N 0.30 0.45 0.00 4.56 4.57 -2.04 -2.98 114.58 119.44 1p81 h GLU 32 Ca -0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1p81 h GLU 32 Cb 1.30 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1p81 h GLU 32 CO 0.53 0.30 0.00 -0.40 -1.18 0.00 0.00 179.01 178.25 1p81 n ASP 33 N -4.98 0.00 -0.23 1.04 5.68 -1.26 -4.88 116.55 111.92 1p81 n ASP 33 Ca 0.12 0.17 -0.03 0.00 -0.50 0.00 0.00 54.79 54.54 1p81 n ASP 33 Cb 0.34 -0.33 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1p81 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p81 n GLY 34 N 0.04 0.62 0.26 6.12 0.00 -1.12 -4.92 105.19 106.18 1p81 n GLY 34 Ca 0.06 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.41 1p81 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 35 N 1.13 0.77 0.13 1.61 3.41 -1.26 -3.23 113.62 116.19 1p81 n SER 35 Ca -0.03 -1.68 0.02 0.00 -0.26 0.00 0.00 58.87 56.92 1p81 n SER 35 Cb 0.12 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1p81 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1p81 h HIS 36 N 0.97 0.00 -3.34 7.33 2.07 -1.91 -3.45 115.15 116.81 1p81 h HIS 36 Ca 0.00 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 56.87 1p81 h HIS 36 Cb 0.21 0.00 -0.24 0.00 2.57 0.00 0.00 27.41 29.95 1p81 h HIS 36 CO 0.06 0.55 -0.70 0.50 -3.07 0.00 0.00 177.93 175.28 1p81 s ARG 37 N -2.96 3.54 0.26 5.12 3.52 -1.20 -4.97 118.95 122.25 1p81 s ARG 37 Ca 0.03 -0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 54.74 1p81 s ARG 37 Cb 0.08 -2.88 -0.12 0.00 -1.56 0.00 0.00 34.95 30.47 1p81 s ARG 37 CO 0.75 0.12 1.58 -2.30 -0.81 0.00 0.00 175.30 174.65 1p81 n PRO 38 N 3.85 2.55 -1.93 5.12 -0.02 -1.26 -4.94 135.00 138.36 1p81 n PRO 38 Ca -0.18 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1p81 n PRO 38 Cb 0.52 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 1p81 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p81 s ALA 39 N 0.28 3.49 -1.50 3.55 0.00 -1.26 -4.89 121.76 121.43 1p81 s ALA 39 Ca 0.68 1.43 -0.08 0.00 0.00 0.00 0.00 51.96 53.99 1p81 s ALA 39 Cb -0.54 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1p81 s ALA 39 CO 0.45 -0.91 2.71 0.00 0.00 0.00 0.00 175.76 178.01 1p81 n ALA 40 N 0.48 7.22 -3.02 0.00 0.00 -1.26 -4.84 120.51 119.09 1p81 n ALA 40 Ca 0.01 -3.77 -0.11 0.00 0.00 0.00 0.00 53.44 49.57 1p81 n ALA 40 Cb 0.41 -3.13 -0.05 0.00 0.00 0.00 0.00 19.45 16.68 1p81 n ALA 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p81 s GLU 41 N 0.79 1.00 0.10 0.00 0.41 -1.24 -4.83 118.70 114.93 1p81 s GLU 41 Ca 0.63 -0.61 -0.31 0.00 -0.41 0.00 0.00 54.97 54.27 1p81 s GLU 41 Cb 0.18 0.44 -0.10 0.00 -1.78 0.00 0.00 34.13 32.87 1p81 s GLU 41 CO -0.07 -0.37 1.82 -2.14 -0.49 0.00 0.00 175.26 174.00 1p81 s PRO 42 N -3.37 4.15 0.05 0.39 0.02 -1.26 -4.98 135.00 129.99 1p81 s PRO 42 Ca 0.00 2.55 0.03 0.00 0.02 0.00 0.00 61.00 63.60 1p81 s PRO 42 Cb 0.01 -3.68 -0.03 0.00 0.02 0.00 0.00 34.50 30.83 1p81 s PRO 42 CO -0.09 -0.84 -0.09 0.95 -0.33 0.00 0.00 177.00 176.60 1p81 s THR 43 N 2.98 0.69 0.71 0.99 -4.23 -1.05 -4.96 115.64 110.76 1p81 s THR 43 Ca 0.81 -1.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.01 1p81 s THR 43 Cb -0.44 -0.76 0.03 0.00 1.34 0.00 0.00 72.50 72.66 1p81 s THR 43 CO 0.36 -0.36 1.14 -2.16 -0.54 0.00 0.00 174.62 173.06 1p81 s PRO 44 N -1.70 2.45 0.19 3.99 0.05 -1.26 -3.16 135.00 135.55 1p81 s PRO 44 Ca -0.07 1.48 -0.32 0.00 0.05 0.00 0.00 61.00 62.13 1p81 s PRO 44 Cb -0.09 -1.90 -0.15 0.00 0.05 0.00 0.00 34.50 32.41 1p81 s PRO 44 CO 0.01 -1.54 1.24 -2.30 0.05 0.00 0.00 177.00 174.45 1p81 n PRO 45 N -2.73 1.42 -0.62 0.56 -0.02 -1.26 -1.47 135.00 130.88 1p81 n PRO 45 Ca 0.11 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1p81 n PRO 45 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1p81 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p81 n GLY 46 N 2.07 1.38 0.13 -1.23 0.00 -1.26 -4.85 105.19 101.43 1p81 n GLY 46 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1p81 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p81 h ALA 47 N 0.00 0.64 -2.55 4.61 0.00 -1.60 -3.46 119.26 116.90 1p81 h ALA 47 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1p81 h ALA 47 Cb 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.55 1p81 h ALA 47 CO 0.00 0.69 -0.36 -0.65 0.00 0.00 0.00 179.25 178.93 1p81 s GLN 48 N -2.94 0.76 0.41 0.00 -1.52 -1.26 -5.05 119.66 110.07 1p81 s GLN 48 Ca 0.04 -0.72 -0.26 0.00 -1.95 0.00 0.00 55.36 52.47 1p81 s GLN 48 Cb 0.08 0.31 -0.09 0.00 -0.22 0.00 0.00 33.01 33.09 1p81 s GLN 48 CO 0.75 -0.23 1.40 -2.14 -0.25 0.00 0.00 175.29 174.82 1p81 s PRO 49 N -2.98 3.90 0.78 2.91 0.02 -1.26 -4.98 135.00 133.39 1p81 s PRO 49 Ca -0.02 2.38 -0.11 0.00 0.02 0.00 0.00 61.00 63.27 1p81 s PRO 49 Cb 0.01 -2.78 0.06 0.00 0.02 0.00 0.00 34.50 31.81 1p81 s PRO 49 CO -0.06 -0.63 1.08 0.95 -0.33 0.00 0.00 177.00 178.01 1p81 s THR 50 N -1.19 3.30 0.22 0.99 -4.23 -1.26 -4.59 115.64 108.88 1p81 s THR 50 Ca 0.57 0.42 -0.13 0.00 -1.18 0.00 0.00 61.69 61.37 1p81 s THR 50 Cb -0.43 -3.07 -0.00 0.00 1.34 0.00 0.00 72.50 70.34 1p81 s THR 50 CO 0.56 -0.55 0.45 0.00 -0.54 0.00 0.00 174.62 174.54 1p81 s ALA 51 N -3.04 -0.30 0.32 3.99 0.00 -1.26 -4.96 121.76 116.51 1p81 s ALA 51 Ca 0.61 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1p81 s ALA 51 Cb -0.15 1.00 -0.12 0.00 0.00 0.00 0.00 23.12 23.85 1p81 s ALA 51 CO 0.55 -0.81 1.47 -0.35 0.00 0.00 0.00 175.76 176.62 1p81 n PRO 52 N -0.35 2.46 -0.24 0.00 -0.04 -1.26 -4.70 135.00 130.88 1p81 n PRO 52 Ca -0.04 0.87 0.04 0.00 -0.04 0.00 0.00 63.50 64.33 1p81 n PRO 52 Cb 0.62 -2.57 0.15 0.00 -0.04 0.00 0.00 33.50 31.66 1p81 n PRO 52 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1p81 h GLY 53 N 3.65 0.84 2.00 0.55 0.00 -1.33 -0.98 103.07 107.80 1p81 h GLY 53 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1p81 h GLY 53 CO 0.70 -0.25 0.00 1.48 0.00 0.00 0.00 176.54 178.48 1p81 h SER 54 N 0.14 0.00 0.26 0.19 4.64 -1.83 0.74 113.55 117.68 1p81 h SER 54 Ca 0.39 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.38 1p81 h SER 54 Cb 0.67 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.71 1p81 h SER 54 CO -0.60 0.00 -2.03 0.18 -0.87 0.00 0.00 176.83 173.52 1p81 n LEU 55 N -2.76 0.60 0.05 5.97 4.77 -0.68 -3.28 117.00 121.67 1p81 n LEU 55 Ca -0.00 0.22 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 1p81 n LEU 55 Cb 0.19 0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1p81 n LEU 55 CO 0.21 0.46 0.10 0.50 -1.33 0.00 0.00 177.39 177.33 1p81 h LYS 56 N 0.00 0.59 -2.09 3.23 1.63 -0.70 -3.40 116.57 115.83 1p81 h LYS 56 Ca -0.41 -0.65 -0.56 0.00 -0.85 0.00 0.00 60.65 58.18 1p81 h LYS 56 Cb 2.11 0.19 -0.38 0.00 -0.60 0.00 0.00 32.23 33.56 1p81 h LYS 56 CO 0.05 1.26 -1.03 0.00 -3.45 0.00 0.00 179.45 176.28 1p81 n ALA 57 N -2.61 2.44 0.27 5.00 0.00 0.21 -3.72 120.51 122.09 1p81 n ALA 57 Ca -0.10 -3.17 0.13 0.00 0.00 0.00 0.00 53.44 50.30 1p81 n ALA 57 Cb 0.88 -0.81 0.73 0.00 0.00 0.00 0.00 19.45 20.25 1p81 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p81 h PRO 58 N 4.74 0.00 0.00 0.00 0.13 -1.73 -2.62 132.00 132.52 1p81 h PRO 58 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1p81 h PRO 58 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1p81 h PRO 58 CO 0.41 0.11 -0.45 -0.25 -0.23 0.00 0.00 178.00 177.59 1p81 n ASP 59 N -3.57 0.51 -4.63 1.44 8.00 -1.26 -4.82 116.55 112.22 1p81 n ASP 59 Ca -0.02 0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1p81 n ASP 59 Cb 0.24 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1p81 n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1p81 s THR 60 N -3.06 4.39 0.20 -3.53 2.01 -0.99 -5.01 115.64 109.65 1p81 s THR 60 Ca 0.10 1.57 0.01 0.00 0.31 0.00 0.00 61.69 63.68 1p81 s THR 60 Cb 0.16 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1p81 s THR 60 CO 0.68 -0.57 0.05 -0.13 -0.69 0.00 0.00 174.62 173.96 1p81 s ARG 61 N 3.89 1.21 0.09 4.92 0.52 -1.26 -5.02 118.95 123.30 1p81 s ARG 61 Ca 0.48 -1.62 -0.26 0.00 -0.52 0.00 0.00 55.73 53.81 1p81 s ARG 61 Cb -0.12 -0.17 0.08 0.00 0.52 0.00 0.00 34.95 35.26 1p81 s ARG 61 CO 0.20 -0.23 0.87 0.54 0.02 0.00 0.00 175.30 176.70 1p81 s ASN 62 N -3.21 -0.31 0.29 0.23 2.20 -1.26 -5.01 114.94 107.86 1p81 s ASN 62 Ca 0.30 -0.19 0.01 0.00 -0.94 0.00 0.00 52.86 52.04 1p81 s ASN 62 Cb 0.07 0.47 0.52 0.00 -2.00 0.00 0.00 41.25 40.32 1p81 s ASN 62 CO 0.08 -0.82 1.87 -0.08 -2.94 0.00 0.00 177.10 175.21 1p81 h GLU 63 N 2.00 1.01 -0.19 3.55 4.81 -1.98 -1.45 114.58 122.33 1p81 h GLU 63 Ca -0.24 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1p81 h GLU 63 Cb 1.25 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1p81 h GLU 63 CO 0.29 0.67 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.99 1p81 h LYS 64 N 1.04 0.35 -0.91 1.92 1.63 -1.96 -1.69 116.57 116.95 1p81 h LYS 64 Ca 0.44 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1p81 h LYS 64 Cb 0.33 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 1p81 h LYS 64 CO -0.20 0.59 0.58 -0.07 -3.45 0.00 0.00 179.45 176.91 1p81 h LEU 65 N 0.09 1.06 -0.70 5.20 3.38 -1.86 -2.16 115.31 120.32 1p81 h LEU 65 Ca 0.05 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1p81 h LEU 65 Cb 0.45 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1p81 h LEU 65 CO 0.01 0.79 0.18 0.78 0.09 0.00 0.00 178.44 180.30 1p81 h ASN 66 N 1.24 1.06 0.60 -0.43 2.35 -1.19 -2.84 115.58 116.36 1p81 h ASN 66 Ca 0.33 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1p81 h ASN 66 Cb -0.11 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 37.98 1p81 h ASN 66 CO -0.07 1.01 0.00 0.77 -1.65 0.00 0.00 177.43 177.49 1p81 h SER 67 N 1.06 0.00 0.08 5.81 4.64 -0.65 -0.98 113.55 123.50 1p81 h SER 67 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1p81 h SER 67 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1p81 h SER 67 CO 0.00 0.00 -0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1p81 n LEU 68 N -2.93 0.08 0.23 5.97 4.77 -1.06 -3.86 117.00 120.20 1p81 n LEU 68 Ca -0.00 0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 1p81 n LEU 68 Cb 0.20 -0.04 0.53 0.00 -2.33 0.00 0.00 43.42 41.79 1p81 n LEU 68 CO 0.23 0.01 0.87 -0.08 -1.33 0.00 0.00 177.39 177.09 1p81 h GLU 69 N 0.13 0.00 0.00 3.23 4.57 -1.29 -2.44 114.58 118.78 1p81 h GLU 69 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1p81 h GLU 69 Cb 0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1p81 h GLU 69 CO 0.00 0.22 -0.03 0.38 -1.18 0.00 0.00 179.01 178.40 1p81 h ASP 70 N 0.00 0.00 -0.01 1.04 -0.00 -1.82 -3.00 116.42 112.64 1p81 h ASP 70 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1p81 h ASP 70 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 1p81 h ASP 70 CO 0.03 0.03 -0.33 1.33 -0.00 0.00 0.00 179.24 180.30 1p81 n VAL 71 N -4.07 0.00 -2.07 4.15 0.24 -0.94 -4.98 118.33 110.66 1p81 n VAL 71 Ca -0.03 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 1p81 n VAL 71 Cb 0.11 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.55 1p81 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1p81 s ARG 72 N -1.67 4.30 -0.12 7.34 0.52 -1.07 -5.01 118.95 123.25 1p81 s ARG 72 Ca 0.08 2.24 0.02 0.00 -0.52 0.00 0.00 55.73 57.55 1p81 s ARG 72 Cb 0.09 -3.12 0.01 0.00 0.52 0.00 0.00 34.95 32.45 1p81 s ARG 72 CO 0.34 -0.36 -0.19 0.21 0.02 0.00 0.00 175.30 175.33 1p81 s LYS 73 N -0.48 2.59 0.00 3.54 2.20 -1.26 -5.03 119.74 121.30 1p81 s LYS 73 Ca 0.58 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1p81 s LYS 73 Cb -0.40 -2.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1p81 s LYS 73 CO 0.43 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 1p81 n GLY 74 N 4.03 0.11 0.41 5.54 0.00 -1.26 -5.08 105.19 108.94 1p81 n GLY 74 Ca -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1p81 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 75 N 0.00 0.00 -4.69 1.61 3.41 -1.26 -5.09 113.62 107.61 1p81 n SER 75 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 1p81 n SER 75 Cb 0.00 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1p81 n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p81 n GLU 76 N -1.56 2.18 -1.01 4.33 1.02 -1.26 -1.68 120.64 122.67 1p81 n GLU 76 Ca 0.00 0.78 -0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1p81 n GLU 76 Cb 0.00 -2.47 -0.00 0.00 -0.02 0.00 0.00 31.44 28.94 1p81 n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1p81 n ASN 77 N 2.32 -3.98 -4.66 1.62 3.02 -1.26 -5.02 115.26 107.30 1p81 n ASN 77 Ca 0.12 0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.40 1p81 n ASN 77 Cb 0.32 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 37.91 1p81 n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p81 s TYR 78 N -1.70 2.85 0.56 3.10 2.02 -0.68 -5.10 117.35 118.40 1p81 s TYR 78 Ca 0.00 -0.12 -0.17 0.00 -0.37 0.00 0.00 57.07 56.41 1p81 s TYR 78 Cb 0.00 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1p81 s TYR 78 CO 0.00 0.50 1.04 0.00 -1.57 0.00 0.00 175.55 175.52 1p81 s ALA 79 N -1.59 2.81 -0.05 3.71 0.00 -1.26 -5.01 121.76 120.38 1p81 s ALA 79 Ca 0.26 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 1p81 s ALA 79 Cb -0.10 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1p81 s ALA 79 CO 0.18 -0.62 0.92 -1.17 0.00 0.00 0.00 175.76 175.07 1p81 s LEU 80 N -4.18 4.32 0.36 0.00 2.96 -1.26 -5.01 118.68 115.87 1p81 s LEU 80 Ca 0.64 1.51 0.05 0.00 -0.22 0.00 0.00 54.13 56.11 1p81 s LEU 80 Cb -0.15 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1p81 s LEU 80 CO 0.32 -0.28 0.19 0.42 -1.32 0.00 0.00 176.35 175.68 1p81 s THR 81 N 1.25 0.32 0.94 3.68 -4.23 -1.26 -1.66 115.64 114.69 1p81 s THR 81 Ca 0.48 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 1p81 s THR 81 Cb -0.20 -2.42 0.18 0.00 1.34 0.00 0.00 72.50 71.41 1p81 s THR 81 CO 0.23 0.00 1.29 0.42 -0.54 0.00 0.00 174.62 176.02 1p81 s THR 82 N -3.36 1.99 0.05 3.99 -4.23 -0.11 -4.88 115.64 109.09 1p81 s THR 82 Ca 0.32 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 61.15 1p81 s THR 82 Cb 0.03 -2.98 0.37 0.00 1.34 0.00 0.00 72.50 71.26 1p81 s THR 82 CO 0.20 0.00 1.97 0.78 -0.54 0.00 0.00 174.62 177.02 1p81 h ASN 83 N -1.56 0.00 -0.13 3.99 2.35 -1.98 -1.84 115.58 116.41 1p81 h ASN 83 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1p81 h ASN 83 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1p81 h ASN 83 CO 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.22 1p81 n GLN 84 N -2.94 1.65 -0.60 0.81 1.13 -1.26 -4.93 117.38 111.24 1p81 n GLN 84 Ca 0.01 -0.97 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 1p81 n GLN 84 Cb 0.27 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1p81 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p81 n GLY 85 N 1.11 0.66 3.68 1.08 0.00 -0.69 -5.05 105.19 105.97 1p81 n GLY 85 Ca 0.17 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1p81 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p81 s VAL 86 N -2.00 5.11 0.35 1.61 1.01 -1.26 -4.80 120.40 120.42 1p81 s VAL 86 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 1p81 s VAL 86 Cb 0.00 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1p81 s VAL 86 CO 0.00 0.21 1.51 -0.13 0.00 0.00 0.00 175.10 176.69 1p81 s ARG 87 N 1.38 4.13 -0.18 2.72 0.52 -1.26 -0.93 118.95 125.32 1p81 s ARG 87 Ca 0.26 2.55 -0.09 0.00 -0.52 0.00 0.00 55.73 57.93 1p81 s ARG 87 Cb -0.16 -2.99 -0.05 0.00 0.52 0.00 0.00 34.95 32.27 1p81 s ARG 87 CO 0.10 -0.55 0.14 0.42 0.02 0.00 0.00 175.30 175.44 1p81 s ILE 88 N -0.75 5.43 -0.14 1.52 1.01 -0.66 -4.89 121.20 122.71 1p81 s ILE 88 Ca 0.56 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.33 1p81 s ILE 88 Cb -0.46 -3.46 -0.25 0.00 0.01 0.00 0.00 42.46 38.30 1p81 s ILE 88 CO 0.58 0.48 0.32 0.00 0.00 0.00 0.00 174.94 176.31 1p81 n ALA 89 N 3.17 0.88 -3.77 9.38 0.00 -1.26 -4.80 120.51 124.11 1p81 n ALA 89 Ca -0.17 -0.59 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 1p81 n ALA 89 Cb 0.53 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 19.19 1p81 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p81 s ASP 90 N -7.01 4.09 -0.20 0.00 3.68 -1.26 -4.97 116.67 111.00 1p81 s ASP 90 Ca -0.24 -1.67 0.07 0.00 2.13 0.00 0.00 52.55 52.84 1p81 s ASP 90 Cb 0.07 -0.95 0.51 0.00 -1.45 0.00 0.00 42.92 41.09 1p81 s ASP 90 CO 0.73 -0.41 1.41 -0.67 0.13 0.00 0.00 175.17 176.37 1p81 n ASP 91 N 4.78 3.91 -0.16 -0.34 4.64 -1.26 -3.95 116.55 124.17 1p81 n ASP 91 Ca -0.02 -2.76 0.04 0.00 -1.38 0.00 0.00 54.79 50.67 1p81 n ASP 91 Cb 0.42 -0.66 -0.00 0.00 -1.04 0.00 0.00 41.12 39.84 1p81 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p81 n GLN 92 N 0.08 2.33 -3.81 -0.67 1.13 -1.26 -5.04 117.38 110.14 1p81 n GLN 92 Ca 0.25 -0.50 -0.12 0.00 -1.94 0.00 0.00 57.00 54.69 1p81 n GLN 92 Cb 1.01 -1.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.27 1p81 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1p81 s ASN 93 N -1.15 -0.10 0.60 1.08 0.01 -1.25 -5.15 114.94 108.98 1p81 s ASN 93 Ca 0.06 -0.04 -0.12 0.00 -0.71 0.00 0.00 52.86 52.05 1p81 s ASN 93 Cb 0.06 0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.94 1p81 s ASN 93 CO 0.19 -0.41 1.02 -0.44 -1.51 0.00 0.00 177.10 175.95 1p81 s SER 94 N -1.34 6.22 -0.12 -1.22 0.01 -1.26 -4.98 113.70 111.01 1p81 s SER 94 Ca -0.14 1.48 -0.28 0.00 1.31 0.00 0.00 55.95 58.32 1p81 s SER 94 Cb -0.06 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1p81 s SER 94 CO 0.03 -0.87 0.96 -0.22 0.41 0.00 0.00 173.24 173.55 1p81 s LEU 95 N -4.94 4.23 0.08 2.44 2.96 -1.26 -5.03 118.68 117.16 1p81 s LEU 95 Ca 0.56 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.93 1p81 s LEU 95 Cb -0.11 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1p81 s LEU 95 CO 0.48 -0.44 -0.06 0.00 -1.32 0.00 0.00 176.35 175.02 1p81 s ARG 96 N 2.05 0.76 -0.83 1.98 1.70 -1.26 -1.18 118.95 122.17 1p81 s ARG 96 Ca 0.46 -1.24 -0.20 0.00 -0.47 0.00 0.00 55.73 54.28 1p81 s ARG 96 Cb -0.18 -0.16 0.11 0.00 -0.57 0.00 0.00 34.95 34.16 1p81 s ARG 96 CO 0.16 -0.02 1.04 0.00 -1.08 0.00 0.00 175.30 175.40 1p81 s ALA 97 N -3.38 3.32 0.00 7.88 0.00 -0.95 -4.73 121.76 123.89 1p81 s ALA 97 Ca 0.08 -2.49 0.00 0.00 0.00 0.00 0.00 51.96 49.55 1p81 s ALA 97 Cb 0.04 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1p81 s ALA 97 CO -0.05 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.25 1p81 n GLY 98 N 5.41 0.17 0.12 0.00 0.00 -1.26 -3.71 105.19 105.92 1p81 n GLY 98 Ca 0.14 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1p81 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 99 N -0.71 0.58 -0.36 1.61 3.41 -1.26 -1.35 113.62 115.53 1p81 n SER 99 Ca 0.00 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.35 1p81 n SER 99 Cb 0.00 -0.77 0.18 0.00 -0.26 0.00 0.00 64.21 63.36 1p81 n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p81 n ARG 100 N -2.15 1.78 -2.31 4.33 1.74 -1.26 -5.07 116.66 113.72 1p81 n ARG 100 Ca 0.02 -2.71 -0.14 0.00 -0.77 0.00 0.00 57.85 54.25 1p81 n ARG 100 Cb 0.20 -1.61 0.05 0.00 -1.02 0.00 0.00 32.46 30.08 1p81 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p81 n GLY 101 N -1.15 1.72 3.80 -0.13 0.00 -0.46 -5.06 105.19 103.90 1p81 n GLY 101 Ca 0.18 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1p81 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p81 s PRO 102 N -3.93 3.71 0.28 1.61 0.04 -1.26 -4.62 135.00 130.83 1p81 s PRO 102 Ca 0.43 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1p81 s PRO 102 Cb -0.03 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1p81 s PRO 102 CO 0.28 -0.51 1.08 0.99 0.04 0.00 0.00 177.00 178.88 1p81 s THR 103 N -2.02 3.55 0.10 1.26 2.01 -1.26 -2.25 115.64 117.02 1p81 s THR 103 Ca 0.67 1.56 -0.16 0.00 0.31 0.00 0.00 61.69 64.08 1p81 s THR 103 Cb -0.17 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.28 1p81 s THR 103 CO 0.22 0.37 0.52 -0.76 -0.69 0.00 0.00 174.62 174.29 1p81 s LEU 104 N -1.43 4.42 0.54 4.42 1.43 -0.33 -4.96 118.68 122.78 1p81 s LEU 104 Ca 0.44 1.10 0.30 0.00 -1.03 0.00 0.00 54.13 54.94 1p81 s LEU 104 Cb -0.31 -3.03 1.52 0.00 0.03 0.00 0.00 46.19 44.40 1p81 s LEU 104 CO 0.40 0.19 2.08 0.25 0.23 0.00 0.00 176.35 179.50 1p81 h LEU 105 N 4.04 0.00 0.00 1.79 5.85 -1.95 -2.40 115.31 122.64 1p81 h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1p81 h LEU 105 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1p81 h LEU 105 CO 0.64 0.10 0.00 -1.84 -0.34 0.00 0.00 178.44 177.00 1p81 n GLU 106 N -3.49 0.44 -2.26 1.25 0.28 -1.26 -4.51 120.64 111.09 1p81 n GLU 106 Ca -0.01 0.05 -0.33 0.00 -0.16 0.00 0.00 57.16 56.71 1p81 n GLU 106 Cb 0.24 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.57 1p81 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1p81 s ASP 107 N -2.29 5.71 0.44 -1.84 3.68 -0.91 -4.76 116.67 116.71 1p81 s ASP 107 Ca 0.24 -1.05 0.24 0.00 2.13 0.00 0.00 52.55 54.11 1p81 s ASP 107 Cb 0.13 -2.57 0.60 0.00 -1.45 0.00 0.00 42.92 39.64 1p81 s ASP 107 CO 0.26 -2.23 1.70 2.19 0.13 0.00 0.00 175.17 177.21 1p81 h PHE 108 N 10.57 0.00 0.11 -5.34 -0.00 -1.90 -2.42 116.94 117.95 1p81 h PHE 108 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.11 1p81 h PHE 108 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.95 1p81 h PHE 108 CO 1.25 0.11 -0.05 0.82 -0.00 0.00 0.00 178.31 180.44 1p81 h ILE 109 N 0.00 1.11 0.03 0.88 2.04 -1.98 -0.73 117.51 118.87 1p81 h ILE 109 Ca -0.00 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 64.82 1p81 h ILE 109 Cb 0.92 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1p81 h ILE 109 CO 0.01 0.25 -0.18 0.25 0.00 0.00 0.00 178.15 178.48 1p81 h LEU 110 N -0.66 -0.53 -1.11 1.44 5.85 -1.94 -1.76 115.31 116.61 1p81 h LEU 110 Ca -0.01 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1p81 h LEU 110 Cb 0.51 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1p81 h LEU 110 CO 0.02 -0.25 -0.11 0.03 -0.34 0.00 0.00 178.44 177.79 1p81 h ARG 111 N -0.32 0.50 -0.10 1.25 3.08 -1.37 -0.58 114.38 116.84 1p81 h ARG 111 Ca 0.05 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1p81 h ARG 111 Cb 0.37 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1p81 h ARG 111 CO -0.15 0.61 -0.05 1.49 -1.07 0.00 0.00 179.97 180.80 1p81 h GLU 112 N 0.46 0.21 -0.28 0.04 4.81 -1.01 0.13 114.58 118.94 1p81 h GLU 112 Ca 0.09 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1p81 h GLU 112 Cb 0.47 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1p81 h GLU 112 CO 0.03 0.56 0.08 -0.22 -0.73 0.00 0.00 179.01 178.73 1p81 h LYS 113 N -0.15 0.19 -0.14 1.92 3.64 -1.07 -0.86 116.57 120.09 1p81 h LYS 113 Ca 0.02 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1p81 h LYS 113 Cb 0.49 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1p81 h LYS 113 CO 0.01 0.13 -0.58 0.82 -2.27 0.00 0.00 179.45 177.56 1p81 h ILE 114 N 0.20 1.34 -0.45 2.00 1.08 -1.10 -2.53 117.51 118.05 1p81 h ILE 114 Ca 0.13 -1.87 0.02 0.00 -0.39 0.00 0.00 64.86 62.75 1p81 h ILE 114 Cb 0.11 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 1p81 h ILE 114 CO -0.15 0.57 0.27 0.74 -0.69 0.00 0.00 178.15 178.90 1p81 h THR 115 N 0.35 1.05 -0.47 -0.27 2.02 -0.53 0.61 112.91 115.67 1p81 h THR 115 Ca 0.00 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1p81 h THR 115 Cb 1.11 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1p81 h THR 115 CO 0.10 0.10 0.15 -0.74 0.37 0.00 0.00 175.52 175.51 1p81 h HIS 116 N 0.55 0.75 -0.83 3.16 -0.00 -1.10 -2.44 115.15 115.24 1p81 h HIS 116 Ca 0.18 -0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1p81 h HIS 116 Cb 0.01 -0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 27.14 1p81 h HIS 116 CO -0.07 0.66 0.53 0.35 -0.00 0.00 0.00 177.93 179.41 1p81 h PHE 117 N 0.63 0.99 0.00 5.26 3.57 -1.03 -2.46 116.94 123.90 1p81 h PHE 117 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1p81 h PHE 117 Cb 0.26 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1p81 h PHE 117 CO 0.01 0.55 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.13 1p81 h ASP 118 N 1.01 0.00 -0.15 0.41 3.45 -0.52 -2.64 116.42 117.99 1p81 h ASP 118 Ca 0.34 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.71 1p81 h ASP 118 Cb 0.05 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.76 1p81 h ASP 118 CO -0.13 0.08 -0.42 1.41 -1.57 0.00 0.00 179.24 178.61 1p81 n HIS 119 N -3.64 0.49 -0.17 4.55 8.25 -0.94 -4.80 115.22 118.96 1p81 n HIS 119 Ca -0.02 -1.60 -0.09 0.00 -0.26 0.00 0.00 57.72 55.76 1p81 n HIS 119 Cb 0.19 -0.32 0.05 0.00 1.12 0.00 0.00 29.99 31.02 1p81 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1p81 h GLU 120 N 1.10 0.99 -6.59 -0.41 5.08 -1.28 -3.45 114.58 110.02 1p81 h GLU 120 Ca 0.09 -0.33 -0.52 0.00 -1.00 0.00 0.00 59.36 57.60 1p81 h GLU 120 Cb 1.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1p81 h GLU 120 CO 0.16 1.01 0.21 1.03 -1.00 0.00 0.00 179.01 180.42 1p81 s ARG 121 N -4.91 4.58 0.23 2.33 1.81 -1.26 -5.08 118.95 116.65 1p81 s ARG 121 Ca -0.11 1.19 0.11 0.00 -1.72 0.00 0.00 55.73 55.20 1p81 s ARG 121 Cb 0.13 -3.19 -0.05 0.00 -0.45 0.00 0.00 34.95 31.40 1p81 s ARG 121 CO 0.85 0.52 -0.15 0.96 -0.68 0.00 0.00 175.30 176.81 1p81 s ILE 122 N -1.23 2.79 0.28 1.52 -4.36 -1.26 -5.10 121.20 113.84 1p81 s ILE 122 Ca 0.38 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.42 1p81 s ILE 122 Cb -0.23 -2.42 -0.12 0.00 1.25 0.00 0.00 42.46 40.94 1p81 s ILE 122 CO 0.26 -0.25 1.48 -2.65 0.24 0.00 0.00 174.94 174.02 1p81 n PRO 123 N -0.29 2.37 -1.80 0.37 -0.02 -1.26 -4.97 135.00 129.40 1p81 n PRO 123 Ca -0.09 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 1p81 n PRO 123 Cb 0.58 -2.55 0.07 0.00 -0.02 0.00 0.00 33.50 31.58 1p81 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1p81 s GLU 124 N -0.67 2.33 0.53 -0.52 -1.05 -1.26 -4.84 118.70 113.22 1p81 s GLU 124 Ca 0.64 0.39 -0.22 0.00 -0.15 0.00 0.00 54.97 55.63 1p81 s GLU 124 Cb -0.56 -1.97 -0.06 0.00 -0.44 0.00 0.00 34.13 31.10 1p81 s GLU 124 CO 0.51 -1.39 1.22 0.54 0.95 0.00 0.00 175.26 177.09 1p81 n ARG 125 N -3.23 1.51 -0.20 -4.83 1.74 -1.26 -4.90 116.66 105.49 1p81 n ARG 125 Ca 0.07 0.56 -0.06 0.00 -0.77 0.00 0.00 57.85 57.65 1p81 n ARG 125 Cb 0.58 -2.40 0.03 0.00 -1.02 0.00 0.00 32.46 29.66 1p81 n ARG 125 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1p81 h ILE 126 N 1.33 1.15 -3.63 0.55 1.08 -1.98 -3.36 117.51 112.65 1p81 h ILE 126 Ca -0.49 -0.27 -0.33 0.00 -0.39 0.00 0.00 64.86 63.38 1p81 h ILE 126 Cb 1.32 0.30 -0.17 0.00 -3.07 0.00 0.00 36.82 35.20 1p81 h ILE 126 CO 0.56 0.14 -0.73 0.68 -0.69 0.00 0.00 178.15 178.11 1p81 s VAL 127 N -6.15 1.03 -1.42 1.67 -7.23 -1.26 -4.80 120.40 102.23 1p81 s VAL 127 Ca -0.13 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1p81 s VAL 127 Cb 0.13 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1p81 s VAL 127 CO 0.75 -0.60 0.09 1.41 -0.31 0.00 0.00 175.10 176.44 1p81 n HIS 128 N 0.35 -0.95 0.23 2.82 8.25 -0.15 -4.89 115.22 120.87 1p81 n HIS 128 Ca -0.14 0.07 0.08 0.00 -0.26 0.00 0.00 57.72 57.48 1p81 n HIS 128 Cb 0.58 -3.51 0.56 0.00 1.12 0.00 0.00 29.99 28.75 1p81 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p81 h ALA 129 N 0.81 1.33 -2.53 -1.41 0.00 -1.70 -3.40 119.26 112.35 1p81 h ALA 129 Ca -0.41 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 53.66 1p81 h ALA 129 Cb 1.30 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 1p81 h ALA 129 CO 0.48 0.27 -0.10 0.50 0.00 0.00 0.00 179.25 180.39 1p81 s ARG 130 N -4.17 3.75 0.15 0.00 6.06 -1.24 -4.00 118.95 119.49 1p81 s ARG 130 Ca -0.02 -0.08 -0.24 0.00 -2.50 0.00 0.00 55.73 52.88 1p81 s ARG 130 Cb 0.13 -3.76 0.07 0.00 0.06 0.00 0.00 34.95 31.45 1p81 s ARG 130 CO 0.65 -0.52 0.69 0.20 -2.50 0.00 0.00 175.30 173.81 1p81 s GLY 131 N 1.70 -0.48 -0.03 8.12 0.00 -1.26 -1.07 107.32 114.30 1p81 s GLY 131 Ca 0.18 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.33 1p81 s GLY 131 CO 0.12 0.14 -0.05 -0.56 0.00 0.00 0.00 173.10 172.75 1p81 s SER 132 N -2.74 0.85 0.14 1.64 0.01 0.60 -4.95 113.70 109.25 1p81 s SER 132 Ca 0.04 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.23 1p81 s SER 132 Cb -0.02 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 1p81 s SER 132 CO -0.08 -0.02 -0.10 0.00 0.41 0.00 0.00 173.24 173.45 1p81 s ALA 133 N 0.61 1.44 0.14 1.44 0.00 -1.26 -0.58 121.76 123.55 1p81 s ALA 133 Ca -0.08 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.25 1p81 s ALA 133 Cb -0.11 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1p81 s ALA 133 CO 0.00 -0.09 0.41 0.00 0.00 0.00 0.00 175.76 176.09 1p81 s ALA 134 N -3.25 -0.85 0.31 0.00 0.00 -0.41 -4.55 121.76 113.00 1p81 s ALA 134 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1p81 s ALA 134 Cb 0.02 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1p81 s ALA 134 CO 0.01 -0.67 0.56 -1.01 0.00 0.00 0.00 175.76 174.64 1p81 s HIS 135 N -3.83 3.49 0.00 0.00 3.76 0.43 -1.06 115.29 118.07 1p81 s HIS 135 Ca 0.05 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 1p81 s HIS 135 Cb 0.01 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.63 1p81 s HIS 135 CO -0.09 0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 1p81 n GLY 136 N -1.17 1.68 3.25 -2.22 0.00 -0.79 -1.51 105.19 104.42 1p81 n GLY 136 Ca -0.02 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1p81 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p81 s TYR 137 N -2.20 -0.03 0.08 1.61 -0.85 -0.20 -0.95 117.35 114.82 1p81 s TYR 137 Ca 0.00 -0.26 0.05 0.00 -0.52 0.00 0.00 57.07 56.34 1p81 s TYR 137 Cb 0.00 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.38 1p81 s TYR 137 CO 0.00 -0.56 -0.14 0.12 -1.52 0.00 0.00 175.55 173.45 1p81 s PHE 138 N -3.32 1.20 -0.23 -3.49 5.36 0.57 -1.02 117.98 117.05 1p81 s PHE 138 Ca 0.00 -0.48 -0.16 0.00 -0.96 0.00 0.00 56.93 55.33 1p81 s PHE 138 Cb 0.02 -0.67 0.07 0.00 -0.34 0.00 0.00 43.02 42.09 1p81 s PHE 138 CO -0.08 0.05 0.58 1.14 -1.46 0.00 0.00 175.22 175.45 1p81 s GLN 139 N -1.87 0.62 0.57 10.12 -2.07 -0.73 -0.98 119.66 125.32 1p81 s GLN 139 Ca -0.01 0.96 -0.18 0.00 -1.82 0.00 0.00 55.36 54.32 1p81 s GLN 139 Cb -0.09 0.17 -0.05 0.00 -1.09 0.00 0.00 33.01 31.95 1p81 s GLN 139 CO 0.02 -0.13 1.08 -1.25 -1.32 0.00 0.00 175.29 173.69 1p81 s PRO 140 N 1.08 3.36 0.11 9.60 0.04 -1.26 -1.35 135.00 146.58 1p81 s PRO 140 Ca -0.06 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 1p81 s PRO 140 Cb -0.06 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.31 1p81 s PRO 140 CO -0.10 -0.80 1.26 1.88 0.04 0.00 0.00 177.00 179.28 1p81 h TYR 141 N 0.81 0.71 -3.81 0.56 0.99 -1.11 -3.38 116.97 111.74 1p81 h TYR 141 Ca -0.48 -0.40 -0.09 0.00 2.00 0.00 0.00 58.73 59.76 1p81 h TYR 141 Cb 1.23 -0.08 -0.11 0.00 1.00 0.00 0.00 36.73 38.77 1p81 h TYR 141 CO 0.56 1.23 -0.24 -1.59 -0.00 0.00 0.00 178.16 178.11 1p81 s LYS 142 N -3.22 1.31 0.20 4.88 -2.85 -1.26 -4.75 119.74 114.04 1p81 s LYS 142 Ca -0.07 -1.21 -0.31 0.00 -1.00 0.00 0.00 55.97 53.39 1p81 s LYS 142 Cb 0.08 0.41 -0.10 0.00 -2.06 0.00 0.00 37.83 36.17 1p81 s LYS 142 CO 0.88 -0.51 1.45 0.45 0.10 0.00 0.00 175.35 177.73 1p81 s SER 143 N -2.99 6.69 -0.44 0.03 0.15 -1.26 -4.65 113.70 111.22 1p81 s SER 143 Ca 0.20 2.57 0.04 0.00 0.70 0.00 0.00 55.95 59.46 1p81 s SER 143 Cb 0.02 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 62.30 1p81 s SER 143 CO 0.04 -0.71 1.78 0.18 1.20 0.00 0.00 173.24 175.73 1p81 n LEU 144 N 3.07 6.11 0.28 3.45 4.77 -0.25 -4.70 117.00 129.73 1p81 n LEU 144 Ca 0.09 -3.84 0.16 0.00 -0.03 0.00 0.00 56.01 52.40 1p81 n LEU 144 Cb 0.40 -0.78 0.75 0.00 -2.33 0.00 0.00 43.42 41.46 1p81 n LEU 144 CO 0.60 1.24 1.00 0.77 -1.33 0.00 0.00 177.39 179.67 1p81 h SER 145 N 1.24 0.00 0.76 -1.43 4.64 -1.78 -0.27 113.55 116.70 1p81 h SER 145 Ca 0.51 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.77 1p81 h SER 145 Cb 2.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.20 1p81 h SER 145 CO 0.98 0.05 -0.28 0.44 -0.87 0.00 0.00 176.83 177.15 1p81 h ASP 146 N 0.00 0.00 0.00 4.97 3.45 -1.98 -3.32 116.42 119.53 1p81 h ASP 146 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1p81 h ASP 146 Cb 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1p81 h ASP 146 CO 0.01 0.28 -0.89 2.30 -1.57 0.00 0.00 179.24 179.37 1p81 n ILE 147 N -3.54 0.00 -3.76 0.35 -5.35 -0.34 -4.86 119.36 101.86 1p81 n ILE 147 Ca -0.00 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 1p81 n ILE 147 Cb 0.43 0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 38.83 1p81 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p81 s THR 148 N -2.06 0.03 -2.25 7.28 -1.32 -0.26 -3.48 115.64 113.57 1p81 s THR 148 Ca -0.01 -0.24 0.21 0.00 -1.21 0.00 0.00 61.69 60.44 1p81 s THR 148 Cb 0.04 -0.53 0.47 0.00 -1.51 0.00 0.00 72.50 70.96 1p81 s THR 148 CO 0.22 -0.13 1.44 2.29 -2.21 0.00 0.00 174.62 176.23 1p81 n LYS 149 N 2.12 2.27 -1.68 7.08 2.85 -0.21 -3.85 118.16 126.74 1p81 n LYS 149 Ca -0.17 -1.95 -0.46 0.00 -1.05 0.00 0.00 58.31 54.68 1p81 n LYS 149 Cb 0.57 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 33.44 1p81 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p81 n ALA 150 N 1.12 1.45 -0.24 0.58 0.00 -1.22 -4.71 120.51 117.49 1p81 n ALA 150 Ca 0.19 0.37 -0.00 0.00 0.00 0.00 0.00 53.44 54.00 1p81 n ALA 150 Cb 0.50 -2.44 0.21 0.00 0.00 0.00 0.00 19.45 17.71 1p81 n ALA 150 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1p81 h ASP 151 N 7.35 0.92 0.54 0.00 3.58 -1.92 -2.53 116.42 124.35 1p81 h ASP 151 Ca -0.46 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1p81 h ASP 151 Cb 1.25 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1p81 h ASP 151 CO 0.92 0.69 0.00 2.22 -2.88 0.00 0.00 179.24 180.19 1p81 n PHE 152 N -4.39 0.22 -0.45 0.28 1.16 -1.26 -1.73 117.46 111.29 1p81 n PHE 152 Ca 0.08 0.09 0.06 0.00 -1.87 0.00 0.00 57.45 55.82 1p81 n PHE 152 Cb 0.05 -0.64 0.18 0.00 -1.61 0.00 0.00 39.48 37.45 1p81 n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1p81 n LEU 153 N -1.70 3.15 0.08 5.98 4.77 -0.96 -4.61 117.00 123.70 1p81 n LEU 153 Ca 0.03 -2.36 0.12 0.00 -0.03 0.00 0.00 56.01 53.77 1p81 n LEU 153 Cb 0.18 -0.32 0.13 0.00 -2.33 0.00 0.00 43.42 41.07 1p81 n LEU 153 CO 0.15 0.70 0.28 0.77 -1.33 0.00 0.00 177.39 177.95 1p81 h SER 154 N 1.74 0.00 -2.99 -1.43 4.64 -1.31 -0.64 113.55 113.56 1p81 h SER 154 Ca 0.00 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.07 1p81 h SER 154 Cb 0.95 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.78 1p81 h SER 154 CO 0.07 0.08 -0.28 -0.62 -0.87 0.00 0.00 176.83 175.21 1p81 s ASP 155 N -4.57 -0.51 0.61 4.97 3.68 -1.26 -4.47 116.67 115.13 1p81 s ASP 155 Ca 0.05 1.00 0.37 0.00 2.13 0.00 0.00 52.55 56.09 1p81 s ASP 155 Cb 0.12 1.02 2.01 0.00 -1.45 0.00 0.00 42.92 44.62 1p81 s ASP 155 CO 0.74 -0.21 2.26 1.55 0.13 0.00 0.00 175.17 179.64 1p81 h PRO 156 N 7.40 0.00 -0.53 4.34 0.13 -1.83 -2.12 132.00 139.39 1p81 h PRO 156 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1p81 h PRO 156 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p81 h PRO 156 CO 0.23 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.11 1p81 n ASN 157 N -3.40 3.71 -4.40 1.44 3.02 -1.26 -4.57 115.26 109.79 1p81 n ASN 157 Ca -0.03 -2.17 -0.40 0.00 -0.03 0.00 0.00 54.58 51.96 1p81 n ASN 157 Cb 0.12 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.77 1p81 n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1p81 s LYS 158 N -1.31 3.03 0.05 3.52 2.20 -0.80 -5.08 119.74 121.36 1p81 s LYS 158 Ca 0.39 -0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 1p81 s LYS 158 Cb 0.22 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1p81 s LYS 158 CO 0.23 -0.59 0.37 0.42 -0.36 0.00 0.00 175.35 175.42 1p81 s ILE 159 N 1.58 5.13 -0.14 5.43 1.01 -1.26 -4.60 121.20 128.34 1p81 s ILE 159 Ca 0.03 0.47 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1p81 s ILE 159 Cb -0.18 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1p81 s ILE 159 CO 0.06 0.37 -0.15 -0.89 0.00 0.00 0.00 174.94 174.34 1p81 s THR 160 N -1.31 1.58 0.60 2.92 2.01 -0.16 -4.96 115.64 116.33 1p81 s THR 160 Ca 0.30 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.46 1p81 s THR 160 Cb -0.14 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1p81 s THR 160 CO 0.16 0.46 1.29 -2.84 -0.69 0.00 0.00 174.62 173.00 1p81 s PRO 161 N 1.40 2.83 0.10 4.92 0.02 -1.26 -0.32 135.00 142.69 1p81 s PRO 161 Ca 0.03 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.11 1p81 s PRO 161 Cb -0.13 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1p81 s PRO 161 CO -0.09 -1.37 -0.07 0.14 -0.33 0.00 0.00 177.00 175.28 1p81 s VAL 162 N -1.42 0.72 -0.06 3.83 -7.23 -0.13 -1.26 120.40 114.85 1p81 s VAL 162 Ca 0.78 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1p81 s VAL 162 Cb -0.36 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 34.94 1p81 s VAL 162 CO 0.40 -0.85 -0.02 0.12 -0.31 0.00 0.00 175.10 174.44 1p81 s PHE 163 N -3.54 0.69 -0.09 2.82 5.36 -0.37 -1.89 117.98 120.96 1p81 s PHE 163 Ca 0.11 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 1p81 s PHE 163 Cb 0.05 -0.72 -0.01 0.00 -0.34 0.00 0.00 43.02 41.99 1p81 s PHE 163 CO -0.04 -0.26 -0.20 0.08 -1.46 0.00 0.00 175.22 173.34 1p81 s VAL 164 N 1.44 2.49 -0.12 3.12 1.01 -0.23 -1.13 120.40 126.97 1p81 s VAL 164 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1p81 s VAL 164 Cb -0.13 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1p81 s VAL 164 CO -0.03 0.56 -0.20 -0.60 0.00 0.00 0.00 175.10 174.82 1p81 s ARG 165 N 0.04 2.76 -0.00 2.72 3.52 0.67 -1.29 118.95 127.37 1p81 s ARG 165 Ca -0.08 -0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 1p81 s ARG 165 Cb -0.15 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 1p81 s ARG 165 CO 0.05 0.03 0.14 -0.06 -0.81 0.00 0.00 175.30 174.65 1p81 s PHE 166 N 0.72 3.44 0.33 5.12 0.40 0.25 -1.04 117.98 127.20 1p81 s PHE 166 Ca -0.11 0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 56.39 1p81 s PHE 166 Cb -0.16 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1p81 s PHE 166 CO 0.01 0.61 0.62 -1.54 0.70 0.00 0.00 175.22 175.62 1p81 s SER 167 N -1.90 0.19 0.00 1.36 1.04 -0.70 -0.29 113.70 113.40 1p81 s SER 167 Ca 0.26 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1p81 s SER 167 Cb -0.12 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1p81 s SER 167 CO 0.17 -1.41 0.00 0.35 0.98 0.00 0.00 173.24 173.34 1p81 n THR 168 N -0.49 0.00 0.01 2.02 -2.24 -0.23 0.13 114.28 113.48 1p81 n THR 168 Ca -0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1p81 n THR 168 Cb 0.61 -1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1p81 n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p81 n VAL 169 N -0.61 0.59 0.04 2.28 0.31 -1.26 -3.90 118.33 115.78 1p81 n VAL 169 Ca 0.00 0.16 -0.19 0.00 -0.01 0.00 0.00 64.34 64.29 1p81 n VAL 169 Cb 0.00 -1.57 -0.14 0.00 -0.91 0.00 0.00 33.84 31.22 1p81 n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1p81 h GLN 170 N -0.06 0.28 -7.30 5.55 -0.00 -1.95 -0.38 115.11 111.25 1p81 h GLN 170 Ca -0.02 -0.46 -0.51 0.00 -0.00 0.00 0.00 58.65 57.66 1p81 h GLN 170 Cb 0.62 0.17 0.16 0.00 0.00 0.00 0.00 27.48 28.42 1p81 h GLN 170 CO -0.01 1.21 0.27 0.20 0.00 0.00 0.00 178.83 180.50 1p81 s GLY 171 N -4.38 1.67 1.08 2.39 0.00 -1.26 -4.77 107.32 102.04 1p81 s GLY 171 Ca -0.14 0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.77 1p81 s GLY 171 CO 0.82 0.73 1.11 -0.32 0.00 0.00 0.00 173.10 175.44 1p81 s GLY 172 N -3.14 1.58 0.58 0.20 0.00 -1.26 -3.72 107.32 101.56 1p81 s GLY 172 Ca 0.63 -0.65 0.33 0.00 0.00 0.00 0.00 44.72 45.03 1p81 s GLY 172 CO 0.57 0.08 2.19 0.00 0.00 0.00 0.00 173.10 175.93 1p81 h ALA 173 N -2.14 1.26 -0.52 3.20 0.00 -1.95 -0.96 119.26 118.15 1p81 h ALA 173 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1p81 h ALA 173 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1p81 h ALA 173 CO 0.48 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1p81 n GLY 174 N -0.89 2.58 3.98 0.00 0.00 -1.26 -4.73 105.19 104.87 1p81 n GLY 174 Ca -0.02 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1p81 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p81 s SER 175 N -0.73 3.66 0.46 1.61 1.04 -0.37 -5.07 113.70 114.32 1p81 s SER 175 Ca 0.45 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 1p81 s SER 175 Cb 0.32 0.10 -0.07 0.00 0.10 0.00 0.00 66.02 66.47 1p81 s SER 175 CO 0.17 -2.34 0.88 0.00 0.98 0.00 0.00 173.24 172.93 1p81 s ALA 176 N -3.48 3.20 -0.07 5.32 0.00 -1.26 -4.93 121.76 120.54 1p81 s ALA 176 Ca 0.71 -0.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.42 1p81 s ALA 176 Cb -0.03 -2.92 -0.26 0.00 0.00 0.00 0.00 23.12 19.91 1p81 s ALA 176 CO 0.48 -0.13 0.94 -0.44 0.00 0.00 0.00 175.76 176.62 1p81 h ASP 177 N 1.08 0.23 -0.67 0.00 3.45 -1.17 -3.38 116.42 115.96 1p81 h ASP 177 Ca -0.47 -0.87 -0.38 0.00 0.43 0.00 0.00 57.03 55.75 1p81 h ASP 177 Cb 1.19 -0.07 -0.15 0.00 -0.56 0.00 0.00 39.33 39.74 1p81 h ASP 177 CO 0.63 1.07 0.37 0.35 -1.57 0.00 0.00 179.24 180.08 1p81 n THR 178 N -4.45 2.98 -1.65 0.35 -2.24 -1.26 -4.93 114.28 103.09 1p81 n THR 178 Ca -0.11 -2.13 -0.29 0.00 -2.27 0.00 0.00 64.05 59.25 1p81 n THR 178 Cb 0.57 -1.47 0.13 0.00 -2.10 0.00 0.00 70.33 67.46 1p81 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p81 s VAL 179 N -2.10 1.99 -0.37 2.28 -7.23 -1.26 -4.37 120.40 109.33 1p81 s VAL 179 Ca 0.43 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 60.41 1p81 s VAL 179 Cb 0.30 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1p81 s VAL 179 CO -0.09 0.00 0.55 -0.60 -0.31 0.00 0.00 175.10 174.66 1p81 s ARG 180 N -5.41 3.53 -0.07 4.82 3.52 -1.26 -4.53 118.95 119.56 1p81 s ARG 180 Ca 0.64 -0.20 -0.31 0.00 -0.13 0.00 0.00 55.73 55.72 1p81 s ARG 180 Cb -0.13 -3.84 0.12 0.00 -1.56 0.00 0.00 34.95 29.53 1p81 s ARG 180 CO 0.52 -0.74 1.12 -2.00 -0.81 0.00 0.00 175.30 173.39 1p81 s GLU 181 N 2.50 0.56 0.69 5.12 2.12 -0.30 -4.60 118.70 124.78 1p81 s GLU 181 Ca 0.20 -0.25 -0.16 0.00 0.36 0.00 0.00 54.97 55.12 1p81 s GLU 181 Cb -0.15 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.49 1p81 s GLU 181 CO 0.15 -0.25 1.19 0.42 -0.54 0.00 0.00 175.26 176.23 1p81 s ILE 182 N -2.70 2.51 0.07 -3.70 -1.09 -1.26 -4.54 121.20 110.48 1p81 s ILE 182 Ca 0.10 0.26 0.08 0.00 -2.23 0.00 0.00 60.65 58.86 1p81 s ILE 182 Cb 0.00 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 1p81 s ILE 182 CO -0.05 -0.12 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.21 1p81 s ARG 183 N -3.82 1.93 0.36 2.79 1.81 -1.26 -4.05 118.95 116.70 1p81 s ARG 183 Ca 0.74 -1.07 -0.10 0.00 -1.72 0.00 0.00 55.73 53.58 1p81 s ARG 183 Cb -0.28 -2.13 -0.07 0.00 -0.45 0.00 0.00 34.95 32.02 1p81 s ARG 183 CO 0.42 0.52 0.71 0.20 -0.68 0.00 0.00 175.30 176.47 1p81 s GLY 184 N -1.62 2.02 -0.33 -3.53 0.00 0.12 -0.89 107.32 103.08 1p81 s GLY 184 Ca 0.15 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1p81 s GLY 184 CO 0.06 -0.05 0.31 -0.12 0.00 0.00 0.00 173.10 173.29 1p81 s PHE 185 N -2.21 -0.18 -0.11 1.90 2.19 0.73 -1.72 117.98 118.59 1p81 s PHE 185 Ca 0.50 -0.71 0.00 0.00 0.33 0.00 0.00 56.93 57.06 1p81 s PHE 185 Cb -0.10 -0.53 -0.02 0.00 -1.31 0.00 0.00 43.02 41.06 1p81 s PHE 185 CO 0.28 -0.92 -0.12 0.00 1.83 0.00 0.00 175.22 176.28 1p81 s ALA 186 N 1.75 2.67 -0.09 11.12 0.00 -0.21 -1.28 121.76 135.73 1p81 s ALA 186 Ca 0.14 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1p81 s ALA 186 Cb -0.16 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1p81 s ALA 186 CO -0.15 0.32 -0.19 0.99 0.00 0.00 0.00 175.76 176.72 1p81 s THR 187 N 0.10 1.70 -0.33 0.00 2.01 -0.17 -0.24 115.64 118.71 1p81 s THR 187 Ca -0.05 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 1p81 s THR 187 Cb -0.15 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1p81 s THR 187 CO 0.04 0.48 0.16 -0.75 -0.69 0.00 0.00 174.62 173.87 1p81 s LYS 188 N 0.57 3.14 -0.26 4.92 2.20 -0.29 -0.62 119.74 129.40 1p81 s LYS 188 Ca -0.15 -0.85 -0.16 0.00 -0.36 0.00 0.00 55.97 54.44 1p81 s LYS 188 Cb -0.17 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1p81 s LYS 188 CO 0.05 -0.51 0.44 -0.06 -0.36 0.00 0.00 175.35 174.91 1p81 s PHE 189 N 1.58 3.26 -1.16 4.03 0.40 0.19 -1.24 117.98 125.05 1p81 s PHE 189 Ca 0.03 0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 56.75 1p81 s PHE 189 Cb -0.18 -2.64 0.19 0.00 0.51 0.00 0.00 43.02 40.90 1p81 s PHE 189 CO 0.06 -0.24 1.33 0.71 0.70 0.00 0.00 175.22 177.78 1p81 s TYR 190 N 2.15 3.61 0.65 0.36 2.02 -0.39 -1.90 117.35 123.85 1p81 s TYR 190 Ca 0.18 -2.16 -0.07 0.00 -0.37 0.00 0.00 57.07 54.65 1p81 s TYR 190 Cb -0.16 -4.22 0.03 0.00 -0.40 0.00 0.00 41.96 37.22 1p81 s TYR 190 CO 0.09 -1.32 0.97 0.95 -1.57 0.00 0.00 175.55 174.68 1p81 s THR 191 N 1.15 2.99 -0.59 -0.71 -4.23 -0.92 -4.36 115.64 108.97 1p81 s THR 191 Ca 0.39 -0.09 0.22 0.00 -1.18 0.00 0.00 61.69 61.03 1p81 s THR 191 Cb -0.04 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 70.78 1p81 s THR 191 CO -0.02 -0.26 1.67 -0.62 -0.54 0.00 0.00 174.62 174.85 1p81 n GLU 192 N -2.78 0.16 -0.23 3.99 1.02 -1.26 -2.35 120.64 119.19 1p81 n GLU 192 Ca 0.06 0.38 0.09 0.00 -0.02 0.00 0.00 57.16 57.67 1p81 n GLU 192 Cb 0.59 -1.80 0.19 0.00 -0.02 0.00 0.00 31.44 30.40 1p81 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p81 n GLU 193 N -2.10 2.14 0.00 3.49 1.02 -1.26 -4.83 120.64 119.10 1p81 n GLU 193 Ca 0.02 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 1p81 n GLU 193 Cb 0.23 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1p81 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p81 n GLY 194 N -0.92 3.33 3.74 0.62 0.00 -0.99 -4.74 105.19 106.23 1p81 n GLY 194 Ca 0.17 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1p81 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 195 N -2.49 3.56 -0.19 -0.61 -1.09 -1.26 -2.16 121.20 116.94 1p81 s ILE 195 Ca 0.00 1.30 0.01 0.00 -2.23 0.00 0.00 60.65 59.72 1p81 s ILE 195 Cb 0.00 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1p81 s ILE 195 CO 0.00 0.20 -0.17 0.12 -1.23 0.00 0.00 174.94 173.86 1p81 s PHE 196 N 0.01 2.85 -0.22 3.97 5.36 -0.80 -4.22 117.98 124.93 1p81 s PHE 196 Ca 0.53 -1.62 -0.07 0.00 -0.96 0.00 0.00 56.93 54.82 1p81 s PHE 196 Cb -0.33 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1p81 s PHE 196 CO 0.36 -0.78 0.05 -0.51 -1.46 0.00 0.00 175.22 172.88 1p81 s ASP 197 N 1.30 5.21 -0.45 6.13 -0.00 -0.23 -0.64 116.67 127.99 1p81 s ASP 197 Ca 0.04 -0.12 -0.11 0.00 -0.00 0.00 0.00 52.55 52.36 1p81 s ASP 197 Cb -0.14 -1.91 0.09 0.00 -0.00 0.00 0.00 42.92 40.96 1p81 s ASP 197 CO -0.11 0.05 0.33 -0.22 -0.00 0.00 0.00 175.17 175.22 1p81 s LEU 198 N 1.09 5.48 -0.66 1.23 0.20 0.21 -4.40 118.68 121.82 1p81 s LEU 198 Ca 0.04 -1.61 -0.07 0.00 0.69 0.00 0.00 54.13 53.18 1p81 s LEU 198 Cb -0.14 -2.05 0.17 0.00 -0.43 0.00 0.00 46.19 43.74 1p81 s LEU 198 CO 0.03 -0.63 0.52 -0.69 -0.29 0.00 0.00 176.35 175.29 1p81 s VAL 199 N 1.46 4.31 0.00 1.68 1.01 -1.26 -1.00 120.40 126.60 1p81 s VAL 199 Ca 0.04 -2.67 0.00 0.00 0.00 0.00 0.00 61.98 59.35 1p81 s VAL 199 Cb -0.25 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1p81 s VAL 199 CO 0.02 -0.91 0.00 0.61 0.00 0.00 0.00 175.10 174.83 1p81 n GLY 200 N 3.81 4.65 3.45 4.51 0.00 -0.40 -4.89 105.19 116.30 1p81 n GLY 200 Ca 0.08 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.69 1p81 n GLY 200 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p81 s ASN 201 N -0.74 2.54 -0.05 1.61 0.01 -0.68 -0.19 114.94 117.44 1p81 s ASN 201 Ca 0.00 -1.76 0.15 0.00 -0.71 0.00 0.00 52.86 50.55 1p81 s ASN 201 Cb 0.00 0.60 0.53 0.00 0.41 0.00 0.00 41.25 42.79 1p81 s ASN 201 CO 0.00 -1.03 1.42 -0.46 -1.51 0.00 0.00 177.10 175.52 1p81 n ASN 202 N -1.52 3.41 -4.10 -1.22 6.94 -0.07 -0.65 115.26 118.04 1p81 n ASN 202 Ca -0.02 -2.19 -0.14 0.00 -0.02 0.00 0.00 54.58 52.22 1p81 n ASN 202 Cb 0.64 -0.44 -0.11 0.00 -2.36 0.00 0.00 39.78 37.50 1p81 n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1p81 s THR 203 N -1.54 0.71 -1.92 5.53 -4.23 -1.26 -4.60 115.64 108.32 1p81 s THR 203 Ca 0.38 -1.23 0.29 0.00 -1.18 0.00 0.00 61.69 59.95 1p81 s THR 203 Cb 0.23 -0.84 0.77 0.00 1.34 0.00 0.00 72.50 74.00 1p81 s THR 203 CO 0.22 -0.39 2.04 -0.81 -0.54 0.00 0.00 174.62 175.13 1p81 n PRO 204 N 1.26 0.83 -4.17 3.99 -0.04 -1.26 -4.56 135.00 131.04 1p81 n PRO 204 Ca -0.21 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.15 1p81 n PRO 204 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1p81 n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1p81 s ILE 205 N -2.08 0.25 0.46 0.52 -0.00 -1.26 -4.50 121.20 114.59 1p81 s ILE 205 Ca 0.41 -1.92 0.07 0.00 -0.00 0.00 0.00 60.65 59.20 1p81 s ILE 205 Cb 0.20 -2.05 -0.01 0.00 -0.00 0.00 0.00 42.46 40.59 1p81 s ILE 205 CO 0.34 -0.48 0.34 0.12 -0.00 0.00 0.00 174.94 175.26 1p81 s PHE 206 N -3.95 2.34 0.25 1.37 5.99 0.27 -4.89 117.98 119.36 1p81 s PHE 206 Ca 0.24 -0.62 0.09 0.00 0.00 0.00 0.00 56.93 56.63 1p81 s PHE 206 Cb 0.07 -2.04 0.26 0.00 0.00 0.00 0.00 43.02 41.31 1p81 s PHE 206 CO 0.02 -0.16 1.56 0.74 -0.00 0.00 0.00 175.22 177.37 1p81 h PHE 207 N 1.04 0.05 -2.73 10.12 -1.00 -1.88 -3.39 116.94 119.14 1p81 h PHE 207 Ca -0.40 -0.02 -0.48 0.00 2.81 0.00 0.00 57.97 59.88 1p81 h PHE 207 Cb 1.27 -0.01 -0.14 0.00 3.61 0.00 0.00 35.95 40.69 1p81 h PHE 207 CO 0.68 0.70 -0.69 0.96 -1.61 0.00 0.00 178.31 178.35 1p81 s ILE 208 N -3.50 1.67 -0.21 -0.55 -4.36 -1.26 -2.73 121.20 110.25 1p81 s ILE 208 Ca -0.01 -2.15 -0.00 0.00 -0.26 0.00 0.00 60.65 58.22 1p81 s ILE 208 Cb 0.12 -2.32 -0.20 0.00 1.25 0.00 0.00 42.46 41.31 1p81 s ILE 208 CO 0.78 -0.39 -0.04 0.00 0.24 0.00 0.00 174.94 175.53 1p81 n GLN 209 N -0.52 0.68 -5.07 0.37 6.02 -1.26 -4.61 117.38 113.00 1p81 n GLN 209 Ca -0.06 0.18 -0.32 0.00 -0.01 0.00 0.00 57.00 56.79 1p81 n GLN 209 Cb 0.62 -1.58 -0.15 0.00 1.02 0.00 0.00 30.24 30.16 1p81 n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1p81 s ASP 210 N -6.66 3.55 0.59 1.08 -1.08 -1.26 -2.56 116.67 110.32 1p81 s ASP 210 Ca -0.31 -0.36 0.29 0.00 -0.52 0.00 0.00 52.55 51.65 1p81 s ASP 210 Cb 0.08 -0.83 1.68 0.00 -1.46 0.00 0.00 42.92 42.40 1p81 s ASP 210 CO 0.66 0.29 2.14 0.00 0.52 0.00 0.00 175.17 178.78 1p81 h ALA 211 N 5.74 1.75 -0.12 3.66 0.00 -1.68 -1.16 119.26 127.45 1p81 h ALA 211 Ca -0.39 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1p81 h ALA 211 Cb 1.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1p81 h ALA 211 CO 0.49 -0.22 0.11 1.25 0.00 0.00 0.00 179.25 180.88 1p81 h HIS 212 N 0.00 0.00 -0.01 0.00 6.17 -1.95 -0.48 115.15 118.88 1p81 h HIS 212 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1p81 h HIS 212 Cb 0.36 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.29 1p81 h HIS 212 CO 0.00 0.00 -0.01 1.63 0.71 0.00 0.00 177.93 180.26 1p81 n LYS 213 N -4.12 1.50 0.05 5.26 5.02 -0.44 -4.50 118.16 120.92 1p81 n LYS 213 Ca 0.00 -0.77 -0.11 0.00 -2.02 0.00 0.00 58.31 55.41 1p81 n LYS 213 Cb 0.22 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.71 1p81 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1p81 h PHE 214 N 1.88 -0.66 -0.55 2.13 3.04 -1.22 -0.77 116.94 120.79 1p81 h PHE 214 Ca 0.00 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.04 1p81 h PHE 214 Cb 0.41 0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1p81 h PHE 214 CO 0.00 -0.33 0.37 -1.35 -2.02 0.00 0.00 178.31 174.97 1p81 h PRO 215 N -0.37 0.48 -0.05 6.41 0.11 -1.80 0.12 132.00 136.89 1p81 h PRO 215 Ca 0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 1p81 h PRO 215 Cb 0.46 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1p81 h PRO 215 CO -0.23 0.31 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.39 1p81 h ASP 216 N 0.49 0.13 -0.16 -2.05 3.45 -1.48 -0.95 116.42 115.85 1p81 h ASP 216 Ca 0.24 -0.45 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1p81 h ASP 216 Cb 0.32 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1p81 h ASP 216 CO -0.07 0.55 0.10 0.15 -1.57 0.00 0.00 179.24 178.40 1p81 h PHE 217 N -0.29 0.20 -0.54 4.55 3.04 -0.95 -1.70 116.94 121.26 1p81 h PHE 217 Ca 0.01 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 1p81 h PHE 217 Cb 0.51 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 1p81 h PHE 217 CO 0.08 0.15 0.09 0.28 -2.02 0.00 0.00 178.31 176.90 1p81 h VAL 218 N 0.19 1.25 -0.84 1.41 2.07 -0.78 -1.48 116.25 118.07 1p81 h VAL 218 Ca 0.06 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1p81 h VAL 218 Cb 0.01 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1p81 h VAL 218 CO -0.01 0.34 0.51 0.45 0.02 0.00 0.00 177.57 178.88 1p81 h HIS 219 N 0.77 1.11 -0.30 1.57 3.86 -1.12 -0.17 115.15 120.86 1p81 h HIS 219 Ca 0.16 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1p81 h HIS 219 Cb 0.40 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1p81 h HIS 219 CO 0.03 0.74 -0.07 0.00 0.86 0.00 0.00 177.93 179.49 1p81 h ALA 220 N 1.39 1.31 0.00 2.45 0.00 -0.88 -3.16 119.26 120.38 1p81 h ALA 220 Ca 0.30 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1p81 h ALA 220 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1p81 h ALA 220 CO -0.06 0.46 -1.37 -0.24 0.00 0.00 0.00 179.25 178.04 1p81 h VAL 221 N 0.46 0.71 -3.68 0.00 3.04 -0.57 -2.69 116.25 113.52 1p81 h VAL 221 Ca 0.09 -2.30 -0.45 0.00 -1.01 0.00 0.00 66.70 63.03 1p81 h VAL 221 Cb 0.42 2.23 0.18 0.00 -2.01 0.00 0.00 31.29 32.10 1p81 h VAL 221 CO 0.02 0.40 0.13 -0.54 -1.01 0.00 0.00 177.57 176.58 1p81 s LYS 222 N -2.83 0.01 0.35 4.17 -0.14 -0.14 -4.69 119.74 116.46 1p81 s LYS 222 Ca -0.02 0.66 -0.28 0.00 -1.36 0.00 0.00 55.97 54.97 1p81 s LYS 222 Cb 0.08 -1.68 -0.12 0.00 -1.68 0.00 0.00 37.83 34.44 1p81 s LYS 222 CO 0.81 -3.06 1.37 -2.30 -0.76 0.00 0.00 175.35 171.42 1p81 n PRO 223 N -4.42 2.33 -1.94 -1.68 -0.02 -1.25 -4.77 135.00 123.23 1p81 n PRO 223 Ca 0.05 0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 61.95 1p81 n PRO 223 Cb 0.56 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1p81 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p81 s GLU 224 N -1.81 3.70 0.43 -0.52 2.02 -0.45 -4.70 118.70 117.38 1p81 s GLU 224 Ca 0.56 2.22 0.16 0.00 0.02 0.00 0.00 54.97 57.92 1p81 s GLU 224 Cb -0.54 -2.60 0.96 0.00 0.10 0.00 0.00 34.13 32.06 1p81 s GLU 224 CO 0.61 -0.73 1.94 -1.00 0.02 0.00 0.00 175.26 176.11 1p81 h PRO 225 N 2.28 0.00 -0.06 0.39 0.13 -1.90 0.24 132.00 133.08 1p81 h PRO 225 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1p81 h PRO 225 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p81 h PRO 225 CO 0.61 0.24 -0.06 1.12 -0.23 0.00 0.00 178.00 179.68 1p81 h HIS 226 N 0.00 0.18 -0.01 1.56 2.07 -1.97 -3.39 115.15 113.59 1p81 h HIS 226 Ca -0.00 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1p81 h HIS 226 Cb 0.45 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.39 1p81 h HIS 226 CO 0.00 0.60 0.00 -2.67 -3.07 0.00 0.00 177.93 172.79 1p81 n TRP 227 N -4.73 0.01 -3.58 6.12 4.27 -1.18 -5.03 117.44 113.31 1p81 n TRP 227 Ca -0.07 -0.04 -0.20 0.00 -3.89 0.00 0.00 57.50 53.29 1p81 n TRP 227 Cb 0.30 -0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.29 1p81 n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1p81 n ALA 228 N 0.05 -2.11 -2.83 -1.67 0.00 0.84 -5.00 120.51 109.79 1p81 n ALA 228 Ca 0.01 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1p81 n ALA 228 Cb 0.06 -2.64 -0.13 0.00 0.00 0.00 0.00 19.45 16.74 1p81 n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p81 s ILE 229 N -3.55 0.34 0.20 0.00 1.01 -1.25 -4.72 121.20 113.22 1p81 s ILE 229 Ca 0.09 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1p81 s ILE 229 Cb -0.02 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.07 1p81 s ILE 229 CO 0.79 -0.10 0.26 -2.16 0.00 0.00 0.00 174.94 173.73 1p81 s PRO 230 N -0.63 3.23 -0.02 2.79 0.04 -1.26 -1.34 135.00 137.81 1p81 s PRO 230 Ca -0.03 -0.79 -0.23 0.00 0.04 0.00 0.00 61.00 59.99 1p81 s PRO 230 Cb -0.05 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1p81 s PRO 230 CO -0.00 0.46 0.69 -1.14 0.04 0.00 0.00 177.00 177.05 1p81 s GLN 231 N -3.55 4.42 -1.55 4.56 2.00 -1.26 -3.96 119.66 120.32 1p81 s GLN 231 Ca 0.33 0.88 -0.01 0.00 -2.00 0.00 0.00 55.36 54.56 1p81 s GLN 231 Cb -0.10 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.32 1p81 s GLN 231 CO 0.27 0.20 0.19 0.41 -0.50 0.00 0.00 175.29 175.86 1p81 n GLY 232 N 2.75 -0.41 3.01 2.59 0.00 -1.26 -4.98 105.19 106.88 1p81 n GLY 232 Ca -0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1p81 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p81 s GLN 233 N -5.17 0.16 0.00 1.61 -0.21 -1.26 -4.51 119.66 110.29 1p81 s GLN 233 Ca 0.10 0.30 0.24 0.00 0.02 0.00 0.00 55.36 56.02 1p81 s GLN 233 Cb -0.04 -0.01 0.76 0.00 1.00 0.00 0.00 33.01 34.72 1p81 s GLN 233 CO 0.12 -0.08 1.57 -1.13 -2.12 0.00 0.00 175.29 173.65 1p81 n SER 234 N 3.48 1.96 -3.80 5.90 3.41 -1.26 -4.72 113.62 118.59 1p81 n SER 234 Ca -0.18 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.32 1p81 n SER 234 Cb 0.56 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1p81 n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 n ALA 235 N 0.52 5.38 -3.48 7.33 0.00 -1.26 -4.57 120.51 124.42 1p81 n ALA 235 Ca 0.17 -3.89 -0.12 0.00 0.00 0.00 0.00 53.44 49.60 1p81 n ALA 235 Cb 0.40 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.29 1p81 n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1p81 s HIS 236 N 3.19 -0.49 0.18 0.00 -3.43 -1.26 -4.73 115.29 108.75 1p81 s HIS 236 Ca 0.47 0.51 -0.16 0.00 -0.80 0.00 0.00 55.06 55.08 1p81 s HIS 236 Cb 0.13 0.51 0.14 0.00 -1.43 0.00 0.00 32.58 31.93 1p81 s HIS 236 CO -0.07 -0.65 1.65 -0.44 -2.00 0.00 0.00 174.74 173.23 1p81 h ASP 237 N 2.29 -0.49 -0.58 7.38 5.19 -1.88 -2.83 116.42 125.50 1p81 h ASP 237 Ca -0.27 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1p81 h ASP 237 Cb 1.24 0.31 -0.03 0.00 0.18 0.00 0.00 39.33 41.03 1p81 h ASP 237 CO 0.35 -0.17 0.31 0.71 -3.12 0.00 0.00 179.24 177.32 1p81 h THR 238 N -0.02 1.19 0.06 0.35 1.35 -1.94 0.48 112.91 114.37 1p81 h THR 238 Ca 0.23 -0.50 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1p81 h THR 238 Cb 0.37 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1p81 h THR 238 CO -0.50 0.22 -0.03 0.15 -0.25 0.00 0.00 175.52 175.11 1p81 h PHE 239 N 0.84 -0.07 0.00 4.73 3.57 -1.22 -2.08 116.94 122.71 1p81 h PHE 239 Ca 0.21 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1p81 h PHE 239 Cb 0.05 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1p81 h PHE 239 CO 0.01 0.04 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.35 1p81 h TRP 240 N -0.17 0.00 0.17 0.41 4.06 -1.44 -0.47 115.95 118.52 1p81 h TRP 240 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1p81 h TRP 240 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1p81 h TRP 240 CO -0.04 0.29 -0.08 0.22 -3.56 0.00 0.00 178.44 175.26 1p81 h ASP 241 N 0.00 -0.20 -0.02 -3.49 3.58 -0.82 -0.40 116.42 115.07 1p81 h ASP 241 Ca -0.00 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.32 1p81 h ASP 241 Cb 0.74 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 1p81 h ASP 241 CO 0.04 0.04 -0.09 0.22 -2.88 0.00 0.00 179.24 176.57 1p81 h TYR 242 N -0.43 -0.22 -0.89 0.28 5.03 -0.96 -2.11 116.97 117.67 1p81 h TYR 242 Ca -0.02 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.38 1p81 h TYR 242 Cb 0.34 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 38.65 1p81 h TYR 242 CO -0.01 -0.14 0.54 0.28 -1.32 0.00 0.00 178.16 177.52 1p81 h VAL 243 N -0.14 0.98 0.00 1.81 2.07 -1.03 -0.81 116.25 119.13 1p81 h VAL 243 Ca 0.04 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1p81 h VAL 243 Cb 0.20 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1p81 h VAL 243 CO -0.11 0.17 -0.24 0.77 0.02 0.00 0.00 177.57 178.18 1p81 h SER 244 N 0.94 0.00 0.23 0.57 4.64 -0.63 -2.40 113.55 116.90 1p81 h SER 244 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1p81 h SER 244 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1p81 h SER 244 CO -0.21 0.24 -0.59 0.18 -0.87 0.00 0.00 176.83 175.57 1p81 n LEU 245 N -4.06 0.95 -3.42 5.97 4.77 -0.69 -4.63 117.00 115.90 1p81 n LEU 245 Ca -0.02 -0.30 -0.26 0.00 -0.03 0.00 0.00 56.01 55.40 1p81 n LEU 245 Cb 0.31 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1p81 n LEU 245 CO 0.36 0.21 -0.24 0.00 -1.33 0.00 0.00 177.39 176.39 1p81 n GLN 246 N -1.13 0.76 0.30 3.23 1.13 -0.40 -4.98 117.38 116.29 1p81 n GLN 246 Ca 0.07 -3.51 0.15 0.00 -1.94 0.00 0.00 57.00 51.76 1p81 n GLN 246 Cb 0.35 -1.70 0.79 0.00 0.11 0.00 0.00 30.24 29.79 1p81 n GLN 246 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1p81 h PRO 247 N 5.07 0.00 -0.29 -1.09 0.13 -1.82 -1.13 132.00 132.88 1p81 h PRO 247 Ca 0.20 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.41 1p81 h PRO 247 Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1p81 h PRO 247 CO 0.48 0.00 0.28 1.05 -0.23 0.00 0.00 178.00 179.59 1p81 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -1.59 114.58 116.08 1p81 h GLU 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p81 h GLU 248 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1p81 h GLU 248 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1p81 h THR 249 N 0.00 0.00 -0.78 -1.06 1.35 -1.00 -3.36 112.91 108.06 1p81 h THR 249 Ca 0.14 -0.47 0.03 0.00 -0.55 0.00 0.00 66.41 65.55 1p81 h THR 249 Cb 0.70 1.38 -0.04 0.00 -1.73 0.00 0.00 68.15 68.45 1p81 h THR 249 CO -0.00 0.00 0.51 -0.07 -0.25 0.00 0.00 175.52 175.71 1p81 h LEU 250 N 0.00 0.85 0.40 3.87 3.38 -1.49 -2.07 115.31 120.25 1p81 h LEU 250 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1p81 h LEU 250 Cb 0.57 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1p81 h LEU 250 CO 0.00 0.59 -0.23 -0.74 0.09 0.00 0.00 178.44 178.15 1p81 h HIS 251 N 0.99 -0.60 0.00 1.13 2.76 -1.81 0.11 115.15 117.73 1p81 h HIS 251 Ca 0.30 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.39 1p81 h HIS 251 Cb -0.01 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1p81 h HIS 251 CO -0.00 -0.36 -0.35 -0.97 -1.30 0.00 0.00 177.93 174.95 1p81 h ASN 252 N -0.59 0.00 -0.62 3.26 -0.00 -1.76 -1.64 115.58 114.23 1p81 h ASN 252 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.17 1p81 h ASN 252 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.78 1p81 h ASN 252 CO 0.05 0.35 0.08 0.58 -0.00 0.00 0.00 177.43 178.49 1p81 h VAL 253 N 0.00 1.26 -0.39 2.57 2.07 -1.15 -1.12 116.25 119.49 1p81 h VAL 253 Ca -0.00 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1p81 h VAL 253 Cb 0.70 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1p81 h VAL 253 CO 0.05 0.39 0.14 0.24 0.02 0.00 0.00 177.57 178.40 1p81 h MET 254 N 0.98 0.29 -0.84 1.57 2.86 0.19 -1.35 114.93 118.63 1p81 h MET 254 Ca 0.19 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1p81 h MET 254 Cb 0.46 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 1p81 h MET 254 CO 0.02 0.19 0.40 -1.49 1.06 0.00 0.00 176.91 177.08 1p81 h TRP 255 N 0.30 1.21 -0.36 -0.22 4.06 -1.12 -2.41 115.95 117.40 1p81 h TRP 255 Ca 0.18 -0.06 -0.09 0.00 2.06 0.00 0.00 58.89 60.98 1p81 h TRP 255 Cb 0.16 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 27.93 1p81 h TRP 255 CO -0.15 0.87 -0.16 0.00 -3.56 0.00 0.00 178.44 175.45 1p81 h ALA 256 N 1.24 1.05 0.00 1.49 0.00 -0.72 -2.91 119.26 119.41 1p81 h ALA 256 Ca 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1p81 h ALA 256 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p81 h ALA 256 CO -0.04 0.58 -0.04 0.52 0.00 0.00 0.00 179.25 180.27 1p81 h MET 257 N 0.59 0.00 -7.69 0.00 2.86 -1.16 -3.34 114.93 106.19 1p81 h MET 257 Ca 0.10 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.29 1p81 h MET 257 Cb 0.61 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.43 1p81 h MET 257 CO 0.04 0.04 0.36 -1.54 1.06 0.00 0.00 176.91 176.87 1p81 s SER 258 N -6.08 2.99 0.00 1.22 1.04 -0.92 -4.04 113.70 107.91 1p81 s SER 258 Ca 0.05 0.47 0.08 0.00 0.48 0.00 0.00 55.95 57.04 1p81 s SER 258 Cb 0.06 -0.67 0.39 0.00 0.10 0.00 0.00 66.02 65.90 1p81 s SER 258 CO 0.64 -2.83 1.22 0.47 0.98 0.00 0.00 173.24 173.72 1p81 n ASP 259 N -3.87 0.00 0.28 7.02 10.43 -1.26 -1.54 116.55 127.60 1p81 n ASP 259 Ca 0.13 0.37 0.13 0.00 2.57 0.00 0.00 54.79 57.99 1p81 n ASP 259 Cb 0.60 -0.42 0.81 0.00 1.84 0.00 0.00 41.12 43.95 1p81 n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1p81 h ARG 260 N 0.00 0.00 0.00 -1.24 2.47 -1.89 -2.19 114.38 111.54 1p81 h ARG 260 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1p81 h ARG 260 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1p81 h ARG 260 CO 0.00 0.05 0.00 0.41 0.56 0.00 0.00 179.97 180.99 1p81 n GLY 261 N -1.13 -1.11 2.24 0.04 0.00 -0.59 -4.17 105.19 100.46 1p81 n GLY 261 Ca -0.03 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1p81 n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p81 n ILE 262 N -1.25 -0.56 -2.06 -0.61 -5.35 -0.82 -1.15 119.36 107.56 1p81 n ILE 262 Ca 0.13 -4.01 -0.36 0.00 -0.27 0.00 0.00 62.75 58.24 1p81 n ILE 262 Cb 0.19 -1.93 0.02 0.00 -1.74 0.00 0.00 39.64 36.19 1p81 n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1p81 s PRO 263 N -1.10 3.12 0.22 6.28 0.04 -1.26 -0.19 135.00 142.11 1p81 s PRO 263 Ca 0.35 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1p81 s PRO 263 Cb 0.15 -2.01 0.19 0.00 0.04 0.00 0.00 34.50 32.87 1p81 s PRO 263 CO -0.12 -1.09 1.52 -0.09 0.04 0.00 0.00 177.00 177.27 1p81 h ARG 264 N 1.09 0.26 -2.99 4.56 9.65 -1.62 -3.39 114.38 121.95 1p81 h ARG 264 Ca -0.50 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.17 1p81 h ARG 264 Cb 1.29 0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 29.78 1p81 h ARG 264 CO 0.56 0.82 0.21 0.45 2.80 0.00 0.00 179.97 184.81 1p81 s SER 265 N -6.91 -0.55 0.49 -3.80 0.15 -1.26 -4.95 113.70 96.86 1p81 s SER 265 Ca -0.04 -0.03 0.32 0.00 0.70 0.00 0.00 55.95 56.90 1p81 s SER 265 Cb 0.12 0.60 1.30 0.00 -1.71 0.00 0.00 66.02 66.33 1p81 s SER 265 CO 0.81 -0.98 1.93 1.88 1.20 0.00 0.00 173.24 178.07 1p81 h TYR 266 N 2.00 0.00 0.00 3.44 0.05 -1.91 -1.82 116.97 118.73 1p81 h TYR 266 Ca -0.33 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.42 1p81 h TYR 266 Cb 1.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.04 1p81 h TYR 266 CO 0.24 0.00 -0.13 0.00 -1.05 0.00 0.00 178.16 177.22 1p81 h ARG 267 N 0.00 0.00 -0.46 4.88 3.08 -1.95 -3.30 114.38 116.62 1p81 h ARG 267 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1p81 h ARG 267 Cb 0.46 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.33 1p81 h ARG 267 CO 0.00 0.13 -0.17 0.25 -1.07 0.00 0.00 179.97 179.11 1p81 n THR 268 N -3.19 2.63 -4.32 2.04 -2.24 -0.69 -4.33 114.28 104.19 1p81 n THR 268 Ca 0.02 -3.10 -0.17 0.00 -2.27 0.00 0.00 64.05 58.53 1p81 n THR 268 Cb 0.47 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.05 1p81 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p81 s MET 269 N -3.37 1.25 0.57 -0.78 0.23 -1.24 -1.16 119.30 114.79 1p81 s MET 269 Ca 0.47 -1.54 -0.07 0.00 -1.03 0.00 0.00 55.69 53.52 1p81 s MET 269 Cb 0.42 -0.98 -0.01 0.00 -1.53 0.00 0.00 34.83 32.72 1p81 s MET 269 CO -0.00 0.16 0.89 -1.21 -2.03 0.00 0.00 175.02 172.83 1p81 s GLU 270 N -3.64 3.19 0.05 3.16 2.02 -1.26 -4.21 118.70 118.01 1p81 s GLU 270 Ca 0.20 0.18 0.05 0.00 0.02 0.00 0.00 54.97 55.42 1p81 s GLU 270 Cb 0.00 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1p81 s GLU 270 CO 0.05 -0.55 -0.13 0.20 0.02 0.00 0.00 175.26 174.85 1p81 s GLY 271 N -4.23 0.77 -0.05 -1.39 0.00 -0.94 -4.19 107.32 97.29 1p81 s GLY 271 Ca 0.52 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 44.30 1p81 s GLY 271 CO 0.47 -0.87 0.20 -1.36 0.00 0.00 0.00 173.10 171.54 1p81 s PHE 272 N -1.04 -0.16 -0.90 1.90 0.08 0.18 -0.59 117.98 117.45 1p81 s PHE 272 Ca -0.01 0.37 0.28 0.00 0.12 0.00 0.00 56.93 57.69 1p81 s PHE 272 Cb -0.09 0.05 1.08 0.00 -0.57 0.00 0.00 43.02 43.49 1p81 s PHE 272 CO 0.02 -0.17 1.87 0.41 -0.10 0.00 0.00 175.22 177.24 1p81 n GLY 273 N 2.48 -1.57 5.00 4.36 0.00 -0.60 -1.68 105.19 113.17 1p81 n GLY 273 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1p81 n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p81 n ILE 274 N -1.77 0.00 -2.14 -0.61 5.41 -1.26 -4.84 119.36 114.15 1p81 n ILE 274 Ca 0.06 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.49 1p81 n ILE 274 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 1p81 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p81 s HIS 275 N 0.00 3.07 -0.12 1.39 3.76 -1.26 -4.88 115.29 117.24 1p81 s HIS 275 Ca 0.00 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.12 1p81 s HIS 275 Cb 0.00 -2.98 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 1p81 s HIS 275 CO 0.00 -0.97 1.15 0.99 -0.85 0.00 0.00 174.74 175.05 1p81 s THR 276 N -2.45 4.45 0.09 1.30 2.01 -1.26 -4.58 115.64 115.19 1p81 s THR 276 Ca 0.63 1.75 0.01 0.00 0.31 0.00 0.00 61.69 64.39 1p81 s THR 276 Cb -0.15 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1p81 s THR 276 CO 0.35 -0.06 0.06 0.49 -0.69 0.00 0.00 174.62 174.77 1p81 n PHE 277 N 5.66 -1.23 -4.34 4.92 3.72 0.30 -4.23 117.46 122.26 1p81 n PHE 277 Ca 0.11 -0.38 -0.25 0.00 -0.05 0.00 0.00 57.45 56.88 1p81 n PHE 277 Cb 0.46 -0.07 -0.12 0.00 -0.94 0.00 0.00 39.48 38.81 1p81 n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1p81 s ARG 278 N -2.36 1.26 -0.08 -1.08 0.52 -0.22 -1.21 118.95 115.78 1p81 s ARG 278 Ca 0.05 -1.30 0.01 0.00 -0.52 0.00 0.00 55.73 53.97 1p81 s ARG 278 Cb -0.00 -1.55 -0.03 0.00 0.52 0.00 0.00 34.95 33.89 1p81 s ARG 278 CO 0.03 0.35 -0.08 -0.51 0.02 0.00 0.00 175.30 175.11 1p81 s LEU 279 N -2.18 3.07 -0.13 2.53 1.43 0.29 -1.46 118.68 122.23 1p81 s LEU 279 Ca 0.12 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1p81 s LEU 279 Cb -0.09 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1p81 s LEU 279 CO 0.06 0.33 -0.14 -0.63 0.23 0.00 0.00 176.35 176.20 1p81 s ILE 280 N -0.59 1.46 0.75 -0.59 -1.09 0.13 -1.44 121.20 119.83 1p81 s ILE 280 Ca 0.09 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1p81 s ILE 280 Cb -0.12 -1.37 0.15 0.00 -1.58 0.00 0.00 42.46 39.54 1p81 s ILE 280 CO 0.02 0.44 1.03 0.54 -1.23 0.00 0.00 174.94 175.74 1p81 s ASN 281 N 1.30 4.16 0.51 3.58 2.20 -0.71 -1.05 114.94 124.94 1p81 s ASN 281 Ca 0.00 -0.46 0.25 0.00 -0.94 0.00 0.00 52.86 51.72 1p81 s ASN 281 Cb -0.14 0.18 1.37 0.00 -2.00 0.00 0.00 41.25 40.66 1p81 s ASN 281 CO -0.07 -2.00 2.05 0.00 -2.94 0.00 0.00 177.10 174.14 1p81 h ALA 282 N -0.63 1.34 0.00 3.54 0.00 -1.88 -1.22 119.26 120.40 1p81 h ALA 282 Ca -0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1p81 h ALA 282 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1p81 h ALA 282 CO 0.37 0.17 0.00 0.39 0.00 0.00 0.00 179.25 180.18 1p81 n GLU 283 N -3.74 0.01 -0.11 0.00 4.71 -1.26 -4.75 120.64 115.51 1p81 n GLU 283 Ca -0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1p81 n GLU 283 Cb 0.25 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1p81 n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p81 n GLY 284 N 1.21 0.53 3.73 0.62 0.00 -0.46 -5.05 105.19 105.77 1p81 n GLY 284 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1p81 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p81 s LYS 285 N -0.86 4.46 -0.13 1.61 2.20 -1.26 -4.77 119.74 120.99 1p81 s LYS 285 Ca 0.00 1.87 -0.10 0.00 -0.36 0.00 0.00 55.97 57.38 1p81 s LYS 285 Cb 0.00 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1p81 s LYS 285 CO 0.00 -0.16 0.21 0.00 -0.36 0.00 0.00 175.35 175.03 1p81 s ALA 286 N 0.33 3.74 -0.08 3.13 0.00 -1.26 -1.73 121.76 125.89 1p81 s ALA 286 Ca 0.55 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.00 1p81 s ALA 286 Cb -0.32 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1p81 s ALA 286 CO 0.34 0.37 -0.21 0.99 0.00 0.00 0.00 175.76 177.25 1p81 s THR 287 N -0.35 1.77 0.30 0.00 2.01 -0.52 -4.13 115.64 114.72 1p81 s THR 287 Ca 0.15 -0.87 -0.28 0.00 0.31 0.00 0.00 61.69 60.99 1p81 s THR 287 Cb -0.13 -1.53 -0.09 0.00 0.01 0.00 0.00 72.50 70.76 1p81 s THR 287 CO 0.04 0.50 1.08 -0.36 -0.69 0.00 0.00 174.62 175.18 1p81 s PHE 288 N 0.27 3.54 -0.02 4.92 0.08 -0.46 -0.54 117.98 125.76 1p81 s PHE 288 Ca -0.13 1.70 -0.02 0.00 0.12 0.00 0.00 56.93 58.60 1p81 s PHE 288 Cb -0.16 -3.23 0.01 0.00 -0.57 0.00 0.00 43.02 39.07 1p81 s PHE 288 CO 0.06 -0.51 0.05 0.54 -0.10 0.00 0.00 175.22 175.27 1p81 s VAL 289 N -1.27 -0.00 -0.09 -0.44 0.11 -0.35 -1.42 120.40 116.93 1p81 s VAL 289 Ca 0.47 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.57 1p81 s VAL 289 Cb -0.29 -0.09 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1p81 s VAL 289 CO 0.38 0.00 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.82 1p81 s ARG 290 N 0.09 2.94 0.05 1.54 0.52 -0.37 -0.54 118.95 123.19 1p81 s ARG 290 Ca -0.01 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.18 1p81 s ARG 290 Cb -0.01 -2.36 -0.06 0.00 0.52 0.00 0.00 34.95 33.03 1p81 s ARG 290 CO -0.00 0.30 0.63 -0.06 0.02 0.00 0.00 175.30 176.19 1p81 s PHE 291 N 0.08 3.77 0.06 -0.53 0.08 -1.26 -0.43 117.98 119.74 1p81 s PHE 291 Ca -0.09 1.33 0.04 0.00 0.12 0.00 0.00 56.93 58.33 1p81 s PHE 291 Cb -0.15 -2.62 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1p81 s PHE 291 CO 0.06 0.45 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.49 1p81 s HIS 292 N -0.64 1.06 -0.12 0.36 3.76 -0.27 -1.56 115.29 117.88 1p81 s HIS 292 Ca 0.32 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 1p81 s HIS 292 Cb -0.20 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 32.89 1p81 s HIS 292 CO 0.20 0.02 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.32 1p81 s TRP 293 N -1.23 2.39 -0.20 1.40 0.52 0.25 -0.08 118.94 121.98 1p81 s TRP 293 Ca -0.04 -1.10 -0.06 0.00 0.02 0.00 0.00 56.10 54.92 1p81 s TRP 293 Cb -0.10 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1p81 s TRP 293 CO 0.02 -0.50 0.04 0.21 0.02 0.00 0.00 176.95 176.73 1p81 s LYS 294 N 0.70 3.74 -0.29 4.98 2.20 0.29 -2.21 119.74 129.15 1p81 s LYS 294 Ca -0.11 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.76 1p81 s LYS 294 Cb -0.16 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1p81 s LYS 294 CO 0.02 0.06 1.42 -1.25 -0.36 0.00 0.00 175.35 175.24 1p81 s PRO 295 N 0.91 3.83 0.17 4.03 0.04 -1.26 -0.50 135.00 142.21 1p81 s PRO 295 Ca 0.02 1.35 0.20 0.00 0.04 0.00 0.00 61.00 62.61 1p81 s PRO 295 Cb -0.14 -3.95 0.85 0.00 0.04 0.00 0.00 34.50 31.30 1p81 s PRO 295 CO 0.02 -1.23 1.62 1.28 0.04 0.00 0.00 177.00 178.73 1p81 n LEU 296 N 8.05 0.43 -0.13 -3.56 4.77 -0.46 -1.05 117.00 125.06 1p81 n LEU 296 Ca 0.16 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 56.90 1p81 n LEU 296 Cb 0.46 -0.55 0.74 0.00 -2.33 0.00 0.00 43.42 41.74 1p81 n LEU 296 CO 0.64 -0.46 0.98 0.00 -1.33 0.00 0.00 177.39 177.22 1p81 n ALA 297 N -1.68 2.67 0.00 -1.18 0.00 -1.26 -4.96 120.51 114.10 1p81 n ALA 297 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1p81 n ALA 297 Cb 0.20 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1p81 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p81 n GLY 298 N 1.15 -0.57 3.71 0.00 0.00 -0.22 -4.18 105.19 105.08 1p81 n GLY 298 Ca 0.19 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1p81 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p81 s LYS 299 N -1.91 4.27 -0.18 1.61 1.02 -1.26 -4.24 119.74 119.04 1p81 s LYS 299 Ca 0.00 0.30 -0.14 0.00 0.02 0.00 0.00 55.97 56.15 1p81 s LYS 299 Cb 0.00 -3.47 0.05 0.00 -0.52 0.00 0.00 37.83 33.89 1p81 s LYS 299 CO 0.00 0.10 0.47 0.00 -0.92 0.00 0.00 175.35 175.01 1p81 s ALA 300 N 0.84 -1.20 0.17 5.17 0.00 -0.31 -4.91 121.76 121.53 1p81 s ALA 300 Ca 0.22 1.49 0.06 0.00 0.00 0.00 0.00 51.96 53.73 1p81 s ALA 300 Cb -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1p81 s ALA 300 CO 0.08 -0.25 -0.12 -1.12 0.00 0.00 0.00 175.76 174.35 1p81 s SER 301 N 0.72 2.14 1.07 0.00 0.01 -1.26 -1.79 113.70 114.59 1p81 s SER 301 Ca -0.04 -1.01 -0.14 0.00 1.31 0.00 0.00 55.95 56.07 1p81 s SER 301 Cb -0.05 -0.07 0.19 0.00 0.21 0.00 0.00 66.02 66.31 1p81 s SER 301 CO -0.05 -0.26 0.94 0.18 0.41 0.00 0.00 173.24 174.46 1p81 n LEU 302 N -0.27 0.00 -4.71 2.44 4.77 0.73 -4.65 117.00 115.30 1p81 n LEU 302 Ca -0.09 -1.02 -0.27 0.00 -0.03 0.00 0.00 56.01 54.60 1p81 n LEU 302 Cb 0.60 -0.77 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1p81 n LEU 302 CO 0.33 -1.47 -0.29 0.68 -1.33 0.00 0.00 177.39 175.31 1p81 s VAL 303 N -2.94 4.02 0.16 4.08 -7.23 -1.26 -4.91 120.40 112.31 1p81 s VAL 303 Ca 0.56 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 59.30 1p81 s VAL 303 Cb -0.03 -3.02 0.05 0.00 0.56 0.00 0.00 36.38 33.94 1p81 s VAL 303 CO 0.41 -0.09 1.70 -0.25 -0.31 0.00 0.00 175.10 176.56 1p81 h TRP 304 N 2.67 -0.07 -0.92 2.82 2.91 -1.98 -1.10 115.95 120.29 1p81 h TRP 304 Ca -0.47 0.03 0.01 0.00 1.13 0.00 0.00 58.89 59.58 1p81 h TRP 304 Cb 1.20 0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.89 1p81 h TRP 304 CO 0.61 -0.09 0.61 0.22 -1.03 0.00 0.00 178.44 178.75 1p81 h ASP 305 N 0.07 1.06 0.29 2.65 -0.00 -1.99 0.46 116.42 118.95 1p81 h ASP 305 Ca 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.16 1p81 h ASP 305 Cb 0.24 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.31 1p81 h ASP 305 CO -0.30 0.77 -0.14 -0.08 -0.00 0.00 0.00 179.24 179.49 1p81 h GLU 306 N 1.25 -0.37 -0.17 0.28 4.81 -1.89 -1.67 114.58 116.83 1p81 h GLU 306 Ca 0.34 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1p81 h GLU 306 Cb -0.14 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1p81 h GLU 306 CO -0.07 -0.21 0.06 0.00 -0.73 0.00 0.00 179.01 178.05 1p81 h ALA 307 N 0.27 0.18 -0.51 2.92 0.00 -0.60 -0.19 119.26 121.33 1p81 h ALA 307 Ca -0.04 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1p81 h ALA 307 Cb 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1p81 h ALA 307 CO 0.06 -0.38 0.10 0.37 0.00 0.00 0.00 179.25 179.40 1p81 h GLN 308 N 0.14 0.83 -0.17 0.00 4.15 -0.94 -2.31 115.11 116.82 1p81 h GLN 308 Ca 0.07 -0.22 -0.08 0.00 0.77 0.00 0.00 58.65 59.19 1p81 h GLN 308 Cb 0.04 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1p81 h GLN 308 CO -0.07 0.82 -0.26 -0.22 -1.93 0.00 0.00 178.83 177.16 1p81 h LYS 309 N 0.72 0.31 0.00 1.69 3.64 -1.03 -2.52 116.57 119.38 1p81 h LYS 309 Ca 0.16 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1p81 h LYS 309 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1p81 h LYS 309 CO 0.01 0.55 -0.21 1.25 -2.27 0.00 0.00 179.45 178.77 1p81 h LEU 310 N 0.28 0.00 -1.86 5.20 5.85 -0.64 0.11 115.31 124.25 1p81 h LEU 310 Ca 0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1p81 h LEU 310 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1p81 h LEU 310 CO 0.04 0.21 -0.13 0.71 -0.34 0.00 0.00 178.44 178.94 1p81 h THR 311 N 0.00 0.88 0.07 1.05 1.35 -0.96 0.13 112.91 115.42 1p81 h THR 311 Ca -0.00 -0.47 -0.36 0.00 -0.55 0.00 0.00 66.41 65.02 1p81 h THR 311 Cb 0.62 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 1p81 h THR 311 CO 0.03 0.12 -2.09 0.61 -0.25 0.00 0.00 175.52 173.94 1p81 n GLY 312 N -1.00 -0.52 0.24 5.82 0.00 -0.33 -3.52 105.19 105.88 1p81 n GLY 312 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1p81 n GLY 312 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p81 h ARG 313 N -0.16 0.77 -2.02 1.61 2.47 -0.86 -3.40 114.38 112.80 1p81 h ARG 313 Ca -0.48 -0.44 -0.39 0.00 -1.26 0.00 0.00 59.98 57.40 1p81 h ARG 313 Cb 1.88 0.03 -0.32 0.00 -1.65 0.00 0.00 29.97 29.91 1p81 h ARG 313 CO -0.04 1.07 -0.70 0.34 0.56 0.00 0.00 179.97 181.20 1p81 s ASP 314 N -6.89 1.37 0.31 7.04 2.15 0.02 -5.00 116.67 115.67 1p81 s ASP 314 Ca -0.09 -1.64 0.24 0.00 0.43 0.00 0.00 52.55 51.49 1p81 s ASP 314 Cb 0.11 0.45 1.13 0.00 -0.30 0.00 0.00 42.92 44.31 1p81 s ASP 314 CO 0.86 -0.27 1.73 1.55 -0.17 0.00 0.00 175.17 178.88 1p81 h PRO 315 N 7.07 0.00 -0.54 4.34 0.13 -1.60 -2.27 132.00 139.13 1p81 h PRO 315 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 1p81 h PRO 315 Cb 1.05 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 1p81 h PRO 315 CO 0.21 0.00 0.09 -0.25 -0.23 0.00 0.00 178.00 177.82 1p81 n ASP 316 N -2.33 4.70 -0.23 1.44 8.00 -1.26 -0.60 116.55 126.28 1p81 n ASP 316 Ca 0.00 -3.13 -0.00 0.00 0.71 0.00 0.00 54.79 52.38 1p81 n ASP 316 Cb 0.16 -0.67 0.11 0.00 -0.02 0.00 0.00 41.12 40.70 1p81 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1p81 h PHE 317 N 2.72 0.59 -0.03 1.24 3.04 -1.75 0.57 116.94 123.33 1p81 h PHE 317 Ca 0.11 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.88 1p81 h PHE 317 Cb 1.95 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 40.29 1p81 h PHE 317 CO 1.01 0.24 -0.87 0.45 -2.02 0.00 0.00 178.31 177.12 1p81 h HIS 318 N 0.58 0.56 -0.34 0.41 3.86 -1.87 -1.25 115.15 117.10 1p81 h HIS 318 Ca 0.32 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1p81 h HIS 318 Cb 0.29 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1p81 h HIS 318 CO -0.11 1.08 0.14 -0.09 0.86 0.00 0.00 177.93 179.81 1p81 h ARG 319 N 0.23 0.50 -0.17 2.45 2.43 -1.79 -1.35 114.38 116.69 1p81 h ARG 319 Ca -0.06 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1p81 h ARG 319 Cb 1.48 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 1p81 h ARG 319 CO 0.15 0.49 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.98 1p81 h ARG 320 N 0.40 0.32 -0.72 0.20 2.43 -0.87 -2.06 114.38 114.06 1p81 h ARG 320 Ca 0.11 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1p81 h ARG 320 Cb 0.18 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1p81 h ARG 320 CO -0.01 0.58 0.48 1.49 -1.51 0.00 0.00 179.97 181.00 1p81 h GLU 321 N 0.03 0.95 0.02 0.20 4.22 -1.16 0.14 114.58 118.98 1p81 h GLU 321 Ca 0.04 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1p81 h GLU 321 Cb 0.45 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1p81 h GLU 321 CO 0.01 0.63 -0.01 1.25 -2.18 0.00 0.00 179.01 178.71 1p81 h LEU 322 N 0.98 -0.03 -0.35 1.64 5.85 -1.12 -0.85 115.31 121.43 1p81 h LEU 322 Ca 0.27 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1p81 h LEU 322 Cb -0.11 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1p81 h LEU 322 CO -0.06 0.28 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.00 1p81 h TRP 323 N -0.34 -0.15 -0.08 1.25 2.91 -1.07 -2.18 115.95 116.29 1p81 h TRP 323 Ca -0.00 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 1p81 h TRP 323 Cb 0.32 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 1p81 h TRP 323 CO 0.03 -0.14 -0.39 0.93 -1.03 0.00 0.00 178.44 177.84 1p81 h GLU 324 N 0.02 0.17 -0.68 2.65 5.08 -0.68 -1.55 114.58 119.58 1p81 h GLU 324 Ca 0.17 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1p81 h GLU 324 Cb 0.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1p81 h GLU 324 CO -0.35 0.54 0.15 0.00 -1.00 0.00 0.00 179.01 178.36 1p81 h ALA 325 N 1.45 0.90 -0.36 3.43 0.00 -0.71 0.48 119.26 124.46 1p81 h ALA 325 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1p81 h ALA 325 Cb 0.76 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1p81 h ALA 325 CO 0.06 0.64 -0.39 0.82 0.00 0.00 0.00 179.25 180.38 1p81 h ILE 326 N 1.04 1.28 -0.02 0.00 2.04 -1.24 0.15 117.51 120.75 1p81 h ILE 326 Ca 0.21 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1p81 h ILE 326 Cb 0.39 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1p81 h ILE 326 CO 0.00 0.52 -0.30 -0.33 0.00 0.00 0.00 178.15 178.04 1p81 h GLU 327 N 0.71 0.04 -0.00 2.37 5.08 -0.91 -2.59 114.58 119.28 1p81 h GLU 327 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1p81 h GLU 327 Cb 0.96 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1p81 h GLU 327 CO 0.09 0.34 -0.02 0.00 -1.00 0.00 0.00 179.01 178.42 1p81 n ALA 328 N -2.48 2.53 -0.64 3.43 0.00 0.13 -2.51 120.51 120.97 1p81 n ALA 328 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1p81 n ALA 328 Cb 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1p81 n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p81 n GLY 329 N 1.30 0.79 2.41 0.00 0.00 -0.96 -4.57 105.19 104.15 1p81 n GLY 329 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1p81 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 330 N 0.00 7.85 -4.72 1.61 10.43 0.48 -4.97 116.55 127.24 1p81 n ASP 330 Ca 0.00 -2.97 -0.42 0.00 2.57 0.00 0.00 54.79 53.97 1p81 n ASP 330 Cb 0.00 -1.40 -0.03 0.00 1.84 0.00 0.00 41.12 41.53 1p81 n ASP 330 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1p81 s PHE 331 N -0.30 2.89 -0.03 1.24 2.99 -1.26 -4.38 117.98 119.13 1p81 s PHE 331 Ca 0.59 0.34 -0.34 0.00 0.00 0.00 0.00 56.93 57.52 1p81 s PHE 331 Cb 0.22 -4.14 -0.13 0.00 0.00 0.00 0.00 43.02 38.97 1p81 s PHE 331 CO -0.10 -4.32 1.78 -2.30 -0.00 0.00 0.00 175.22 170.28 1p81 n PRO 332 N 4.04 2.09 -5.10 0.24 -0.02 -1.23 -4.76 135.00 130.25 1p81 n PRO 332 Ca 0.16 0.76 -0.29 0.00 -2.02 0.00 0.00 63.50 62.11 1p81 n PRO 332 Cb 0.35 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.10 1p81 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p81 s GLU 333 N 3.11 2.10 0.00 -0.52 2.02 -1.26 -0.92 118.70 123.23 1p81 s GLU 333 Ca 0.89 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 55.10 1p81 s GLU 333 Cb -0.71 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.65 1p81 s GLU 333 CO 0.49 0.38 -0.05 0.71 0.02 0.00 0.00 175.26 176.81 1p81 s TYR 334 N -0.24 0.42 -0.27 1.61 2.02 -0.15 -1.35 117.35 119.39 1p81 s TYR 334 Ca 0.01 -0.12 -0.10 0.00 -0.37 0.00 0.00 57.07 56.48 1p81 s TYR 334 Cb -0.11 -0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.13 1p81 s TYR 334 CO 0.02 -0.02 0.16 -2.00 -1.57 0.00 0.00 175.55 172.14 1p81 s GLU 335 N -0.26 3.90 0.16 -0.62 2.12 0.34 -0.71 118.70 123.63 1p81 s GLU 335 Ca 0.00 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1p81 s GLU 335 Cb -0.03 -3.58 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 1p81 s GLU 335 CO -0.00 -0.16 1.21 -1.17 -0.54 0.00 0.00 175.26 174.60 1p81 s LEU 336 N 1.65 4.43 0.05 2.70 2.96 0.24 -0.55 118.68 130.17 1p81 s LEU 336 Ca 0.07 2.20 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 1p81 s LEU 336 Cb -0.16 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 1p81 s LEU 336 CO 0.09 -0.40 -0.06 -0.83 -1.32 0.00 0.00 176.35 173.83 1p81 s GLY 337 N 0.35 0.50 -0.03 7.98 0.00 0.89 -0.44 107.32 116.56 1p81 s GLY 337 Ca 0.54 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 44.38 1p81 s GLY 337 CO 0.35 -1.01 -0.18 -1.36 0.00 0.00 0.00 173.10 170.90 1p81 s PHE 338 N -2.31 1.74 -0.25 1.90 2.99 0.05 -1.12 117.98 120.98 1p81 s PHE 338 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 56.93 56.32 1p81 s PHE 338 Cb -0.04 -1.15 -0.04 0.00 0.00 0.00 0.00 43.02 41.78 1p81 s PHE 338 CO -0.03 -0.13 0.26 -0.65 -0.00 0.00 0.00 175.22 174.68 1p81 s GLN 339 N -0.12 4.03 -0.13 0.44 -0.21 0.42 -0.38 119.66 123.71 1p81 s GLN 339 Ca -0.00 -0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.25 1p81 s GLN 339 Cb -0.10 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.29 1p81 s GLN 339 CO 0.01 -0.12 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.40 1p81 s LEU 340 N 1.59 2.55 -0.10 2.90 1.43 -1.26 -1.24 118.68 124.55 1p81 s LEU 340 Ca 0.11 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1p81 s LEU 340 Cb -0.15 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1p81 s LEU 340 CO 0.08 0.15 -0.10 -0.63 0.23 0.00 0.00 176.35 176.08 1p81 s ILE 341 N 0.42 1.15 0.60 -0.59 1.01 -0.51 -4.96 121.20 118.32 1p81 s ILE 341 Ca -0.12 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 1p81 s ILE 341 Cb -0.16 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1p81 s ILE 341 CO 0.05 0.38 1.28 -2.84 0.00 0.00 0.00 174.94 173.81 1p81 s PRO 342 N 1.29 2.87 0.35 2.79 0.02 -1.26 -1.36 135.00 139.70 1p81 s PRO 342 Ca -0.02 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.11 1p81 s PRO 342 Cb -0.14 -1.99 0.81 0.00 0.02 0.00 0.00 34.50 33.20 1p81 s PRO 342 CO -0.04 -1.34 1.87 1.49 -0.33 0.00 0.00 177.00 178.65 1p81 h GLU 343 N 0.93 0.68 0.00 5.54 4.81 -1.95 -0.19 114.58 124.40 1p81 h GLU 343 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1p81 h GLU 343 Cb 1.31 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1p81 h GLU 343 CO 0.55 0.45 0.00 -0.85 -0.73 0.00 0.00 179.01 178.43 1p81 n GLU 344 N -4.57 0.02 -0.64 1.92 0.00 -1.26 -2.12 120.64 114.00 1p81 n GLU 344 Ca 0.17 0.27 0.09 0.00 0.00 0.00 0.00 57.16 57.70 1p81 n GLU 344 Cb 0.47 -1.54 0.36 0.00 0.00 0.00 0.00 31.44 30.72 1p81 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1p81 n ASP 345 N -1.58 4.84 -0.33 -1.84 8.00 -0.08 -4.59 116.55 120.96 1p81 n ASP 345 Ca 0.03 -2.54 0.12 0.00 0.71 0.00 0.00 54.79 53.11 1p81 n ASP 345 Cb 0.17 -0.58 0.30 0.00 -0.02 0.00 0.00 41.12 40.99 1p81 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1p81 h GLU 346 N 3.90 0.65 -0.34 -1.24 4.81 -1.52 -2.12 114.58 118.73 1p81 h GLU 346 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1p81 h GLU 346 Cb 1.52 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1p81 h GLU 346 CO 0.27 0.43 0.00 1.19 -0.73 0.00 0.00 179.01 180.17 1p81 n PHE 347 N -4.84 0.92 1.54 0.92 3.01 -1.26 -4.39 117.46 113.36 1p81 n PHE 347 Ca 0.22 -0.74 0.15 0.00 1.01 0.00 0.00 57.45 58.08 1p81 n PHE 347 Cb 0.56 -0.24 0.68 0.00 -0.01 0.00 0.00 39.48 40.47 1p81 n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1p81 n LYS 348 N -0.02 0.88 -2.92 -1.08 5.02 -0.80 -4.87 118.16 114.37 1p81 n LYS 348 Ca 0.19 -0.28 -0.19 0.00 -2.02 0.00 0.00 58.31 56.02 1p81 n LYS 348 Cb 0.78 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.33 1p81 n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p81 s PHE 349 N -2.31 2.32 -2.01 2.13 0.40 -1.26 -4.99 117.98 112.25 1p81 s PHE 349 Ca 0.34 -0.42 0.12 0.00 -0.60 0.00 0.00 56.93 56.37 1p81 s PHE 349 Cb 0.21 -2.44 0.35 0.00 0.51 0.00 0.00 43.02 41.64 1p81 s PHE 349 CO 0.43 -0.81 1.29 -0.40 0.70 0.00 0.00 175.22 176.43 1p81 n ASP 350 N -2.12 1.96 -4.32 1.36 5.68 -1.26 -4.76 116.55 113.08 1p81 n ASP 350 Ca 0.11 -1.99 -0.18 0.00 -0.50 0.00 0.00 54.79 52.23 1p81 n ASP 350 Cb 0.60 -0.24 -0.10 0.00 -1.14 0.00 0.00 41.12 40.24 1p81 n ASP 350 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1p81 s PHE 351 N -1.52 1.65 0.05 2.11 -0.12 -1.26 -5.05 117.98 113.84 1p81 s PHE 351 Ca 0.25 -0.58 -0.30 0.00 -0.05 0.00 0.00 56.93 56.25 1p81 s PHE 351 Cb 0.13 -0.79 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 1p81 s PHE 351 CO 0.17 0.31 1.04 0.34 -0.05 0.00 0.00 175.22 177.03 1p81 s ASP 352 N -3.14 7.31 0.58 1.98 3.68 -1.26 -4.92 116.67 120.90 1p81 s ASP 352 Ca 0.20 1.81 0.36 0.00 2.13 0.00 0.00 52.55 57.05 1p81 s ASP 352 Cb -0.01 -2.58 1.75 0.00 -1.45 0.00 0.00 42.92 40.63 1p81 s ASP 352 CO 0.06 -0.28 2.14 -0.07 0.13 0.00 0.00 175.17 177.15 1p81 h LEU 353 N 6.43 0.00 -1.20 -1.34 3.38 -1.96 -2.46 115.31 118.16 1p81 h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1p81 h LEU 353 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1p81 h LEU 353 CO 0.76 0.04 0.00 0.18 0.09 0.00 0.00 178.44 179.50 1p81 n LEU 354 N -3.25 1.82 -4.57 1.67 4.77 -1.26 -4.42 117.00 111.75 1p81 n LEU 354 Ca -0.01 -0.74 -0.40 0.00 -0.03 0.00 0.00 56.01 54.82 1p81 n LEU 354 Cb 0.21 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1p81 n LEU 354 CO 0.26 0.37 0.12 -0.62 -1.33 0.00 0.00 177.39 176.18 1p81 s ASP 355 N -1.62 6.26 0.00 -1.43 3.68 -0.93 -4.29 116.67 118.34 1p81 s ASP 355 Ca 0.33 0.06 0.27 0.00 2.13 0.00 0.00 52.55 55.34 1p81 s ASP 355 Cb 0.18 -2.23 1.54 0.00 -1.45 0.00 0.00 42.92 40.96 1p81 s ASP 355 CO 0.28 -0.33 1.94 -0.81 0.13 0.00 0.00 175.17 176.38 1p81 n PRO 356 N 5.49 0.72 -0.04 4.34 -0.04 -1.26 -2.02 135.00 142.19 1p81 n PRO 356 Ca -0.07 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1p81 n PRO 356 Cb 0.50 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.80 1p81 n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1p81 n THR 357 N -1.07 0.10 -4.72 0.52 -2.24 -1.26 -0.57 114.28 105.03 1p81 n THR 357 Ca 0.18 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1p81 n THR 357 Cb 0.12 0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 1p81 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p81 s LYS 358 N -1.90 3.27 0.42 -0.78 -0.14 -0.86 -4.85 119.74 114.91 1p81 s LYS 358 Ca 0.34 -0.65 0.02 0.00 -1.36 0.00 0.00 55.97 54.32 1p81 s LYS 358 Cb 0.20 -2.64 -0.00 0.00 -1.68 0.00 0.00 37.83 33.71 1p81 s LYS 358 CO 0.31 0.30 0.61 -0.48 -0.76 0.00 0.00 175.35 175.33 1p81 s LEU 359 N 0.13 3.74 -0.39 3.17 0.05 -1.26 -4.84 118.68 119.27 1p81 s LEU 359 Ca -0.05 0.13 -0.08 0.00 0.05 0.00 0.00 54.13 54.18 1p81 s LEU 359 Cb -0.15 -3.03 0.06 0.00 -2.05 0.00 0.00 46.19 41.03 1p81 s LEU 359 CO 0.04 -0.63 0.21 -0.63 -0.55 0.00 0.00 176.35 174.79 1p81 s ILE 360 N -2.44 4.10 0.24 1.48 1.01 -1.26 -5.05 121.20 119.27 1p81 s ILE 360 Ca 0.47 -1.29 -0.31 0.00 0.00 0.00 0.00 60.65 59.52 1p81 s ILE 360 Cb -0.10 -3.45 -0.14 0.00 0.01 0.00 0.00 42.46 38.79 1p81 s ILE 360 CO 0.36 -0.39 1.36 -2.65 0.00 0.00 0.00 174.94 173.62 1p81 n PRO 361 N 4.88 1.90 0.26 2.79 -0.02 -1.26 -4.86 135.00 138.69 1p81 n PRO 361 Ca -0.11 0.68 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1p81 n PRO 361 Cb 0.44 -2.30 0.71 0.00 -0.02 0.00 0.00 33.50 32.32 1p81 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p81 h GLU 362 N 3.97 0.00 0.00 -0.52 5.08 -1.98 0.37 114.58 121.50 1p81 h GLU 362 Ca -0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1p81 h GLU 362 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1p81 h GLU 362 CO 0.74 0.13 -0.03 0.93 -1.00 0.00 0.00 179.01 179.77 1p81 h GLU 363 N 0.00 0.00 0.08 2.33 4.39 -1.97 -3.17 114.58 116.24 1p81 h GLU 363 Ca -0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.33 1p81 h GLU 363 Cb 0.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1p81 h GLU 363 CO 0.02 0.03 -2.07 1.28 -1.16 0.00 0.00 179.01 177.11 1p81 n LEU 364 N -3.17 2.63 -3.68 1.33 4.77 0.05 -4.86 117.00 114.07 1p81 n LEU 364 Ca -0.00 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 1p81 n LEU 364 Cb 0.26 -1.05 -0.16 0.00 -2.33 0.00 0.00 43.42 40.15 1p81 n LEU 364 CO 0.27 0.82 -0.35 -0.69 -1.33 0.00 0.00 177.39 176.11 1p81 s VAL 365 N -2.53 0.41 0.67 4.08 1.01 -0.77 -5.08 120.40 118.19 1p81 s VAL 365 Ca -0.27 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 1p81 s VAL 365 Cb 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1p81 s VAL 365 CO 0.70 -0.44 1.11 -2.16 0.00 0.00 0.00 175.10 174.31 1p81 s PRO 366 N 1.88 2.74 -0.29 2.72 0.04 -1.20 -4.09 135.00 136.81 1p81 s PRO 366 Ca 0.04 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 1p81 s PRO 366 Cb -0.17 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1p81 s PRO 366 CO -0.18 -1.29 0.82 0.08 0.04 0.00 0.00 177.00 176.46 1p81 s VAL 367 N -2.38 4.78 -0.05 -0.36 1.01 -1.26 -4.47 120.40 117.67 1p81 s VAL 367 Ca 0.67 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.72 1p81 s VAL 367 Cb -0.20 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1p81 s VAL 367 CO 0.43 -0.22 0.71 -1.58 0.00 0.00 0.00 175.10 174.44 1p81 s GLN 368 N 2.98 4.44 0.27 2.72 0.74 0.48 -4.81 119.66 126.48 1p81 s GLN 368 Ca 0.34 0.91 -0.29 0.00 0.05 0.00 0.00 55.36 56.36 1p81 s GLN 368 Cb -0.14 -3.44 -0.10 0.00 1.10 0.00 0.00 33.01 30.43 1p81 s GLN 368 CO 0.11 0.09 1.30 1.03 -0.55 0.00 0.00 175.29 177.27 1p81 s ARG 369 N 0.71 4.39 0.00 1.67 0.52 -1.26 -0.77 118.95 124.21 1p81 s ARG 369 Ca 0.38 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 1p81 s ARG 369 Cb -0.18 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.16 1p81 s ARG 369 CO 0.19 -0.18 0.00 0.28 0.02 0.00 0.00 175.30 175.60 1p81 n VAL 370 N 1.63 0.00 -3.94 3.52 0.31 0.41 -4.88 118.33 115.38 1p81 n VAL 370 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1p81 n VAL 370 Cb 0.42 -0.73 0.02 0.00 -0.91 0.00 0.00 33.84 32.64 1p81 n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p81 n GLY 371 N 3.19 0.43 3.22 2.92 0.00 -1.06 -0.48 105.19 113.40 1p81 n GLY 371 Ca 0.00 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 1p81 n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p81 s LYS 372 N -2.03 1.64 -0.09 1.61 2.20 -0.46 -0.59 119.74 122.01 1p81 s LYS 372 Ca 0.26 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1p81 s LYS 372 Cb -0.02 -1.60 -0.02 0.00 -1.51 0.00 0.00 37.83 34.69 1p81 s LYS 372 CO 0.03 0.44 -0.15 1.41 -0.36 0.00 0.00 175.35 176.71 1p81 s MET 373 N -0.52 2.99 -0.09 4.03 -2.45 0.12 -1.77 119.30 121.61 1p81 s MET 373 Ca 0.08 -0.72 0.01 0.00 -1.25 0.00 0.00 55.69 53.80 1p81 s MET 373 Cb -0.08 -2.48 0.02 0.00 1.25 0.00 0.00 34.83 33.54 1p81 s MET 373 CO -0.01 0.36 -0.09 0.08 1.05 0.00 0.00 175.02 176.42 1p81 s VAL 374 N -0.06 1.01 -0.42 10.11 1.01 -0.19 -0.98 120.40 130.88 1p81 s VAL 374 Ca -0.03 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1p81 s VAL 374 Cb -0.14 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1p81 s VAL 374 CO 0.04 0.35 0.46 -0.76 0.00 0.00 0.00 175.10 175.19 1p81 s LEU 375 N 1.31 4.83 -0.00 3.92 1.02 -0.10 -1.03 118.68 128.63 1p81 s LEU 375 Ca -0.03 -0.64 0.00 0.00 0.02 0.00 0.00 54.13 53.49 1p81 s LEU 375 Cb -0.14 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.65 1p81 s LEU 375 CO -0.04 -0.61 0.89 -0.46 0.02 0.00 0.00 176.35 176.16 1p81 n ASN 376 N 5.68 1.55 -3.68 2.29 6.94 -0.57 -3.58 115.26 123.89 1p81 n ASN 376 Ca -0.07 -1.81 -0.11 0.00 -0.02 0.00 0.00 54.58 52.58 1p81 n ASN 376 Cb 0.47 -0.01 -0.09 0.00 -2.36 0.00 0.00 39.78 37.79 1p81 n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1p81 s ARG 377 N -0.82 0.54 0.63 -3.83 3.52 -0.96 -5.01 118.95 113.03 1p81 s ARG 377 Ca 0.01 0.85 -0.11 0.00 -0.13 0.00 0.00 55.73 56.35 1p81 s ARG 377 Cb 0.01 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 1p81 s ARG 377 CO 0.00 -0.12 1.04 -0.80 -0.81 0.00 0.00 175.30 174.61 1p81 s ASN 378 N 0.98 6.08 1.04 -2.12 0.01 -1.26 -0.43 114.94 119.23 1p81 s ASN 378 Ca -0.06 1.43 -0.13 0.00 -0.71 0.00 0.00 52.86 53.39 1p81 s ASN 378 Cb -0.06 -2.44 0.21 0.00 0.41 0.00 0.00 41.25 39.37 1p81 s ASN 378 CO -0.09 -0.97 1.08 -2.16 -1.51 0.00 0.00 177.10 173.46 1p81 s PRO 379 N -5.17 0.12 -0.15 -0.60 0.04 -1.26 -3.59 135.00 124.39 1p81 s PRO 379 Ca 0.56 0.51 -0.15 0.00 0.04 0.00 0.00 61.00 61.95 1p81 s PRO 379 Cb -0.11 -1.70 -0.24 0.00 0.04 0.00 0.00 34.50 32.49 1p81 s PRO 379 CO 0.54 -2.94 0.37 -0.44 0.04 0.00 0.00 177.00 174.57 1p81 h ASP 380 N -2.05 0.24 -3.25 6.66 3.45 -1.95 -1.54 116.42 117.98 1p81 h ASP 380 Ca -0.56 -0.76 -0.49 0.00 0.43 0.00 0.00 57.03 55.65 1p81 h ASP 380 Cb 1.34 -0.08 -0.38 0.00 -0.56 0.00 0.00 39.33 39.65 1p81 h ASP 380 CO 0.57 1.63 -0.78 0.21 -1.57 0.00 0.00 179.24 179.30 1p81 s ASN 381 N -6.95 2.18 0.14 6.45 3.84 -1.26 -4.65 114.94 114.70 1p81 s ASN 381 Ca -0.24 -0.37 -0.19 0.00 0.21 0.00 0.00 52.86 52.26 1p81 s ASN 381 Cb 0.05 -0.64 0.02 0.00 -0.55 0.00 0.00 41.25 40.13 1p81 s ASN 381 CO 0.70 -0.20 1.68 0.15 -2.79 0.00 0.00 177.10 176.65 1p81 h PHE 382 N 8.24 -0.20 0.41 0.43 3.57 -1.98 -2.05 116.94 125.37 1p81 h PHE 382 Ca -0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 1p81 h PHE 382 Cb 1.12 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1p81 h PHE 382 CO 0.44 -0.14 -0.20 0.35 -2.23 0.00 0.00 178.31 176.53 1p81 h PHE 383 N -0.04 -0.51 -0.49 0.41 3.04 -1.96 0.19 116.94 117.59 1p81 h PHE 383 Ca 0.13 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.14 1p81 h PHE 383 Cb 0.23 0.17 -0.06 0.00 2.56 0.00 0.00 35.95 38.85 1p81 h PHE 383 CO -0.28 -0.31 0.14 0.00 -2.02 0.00 0.00 178.31 175.85 1p81 h ALA 384 N 0.03 0.58 0.03 2.41 0.00 -1.95 -2.14 119.26 118.22 1p81 h ALA 384 Ca -0.06 0.08 -0.39 0.00 0.00 0.00 0.00 54.91 54.55 1p81 h ALA 384 Cb 0.43 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1p81 h ALA 384 CO 0.09 -0.26 -2.33 0.39 0.00 0.00 0.00 179.25 177.14 1p81 n GLU 385 N -5.05 0.67 -0.05 0.00 1.02 -0.78 -4.21 120.64 112.23 1p81 n GLU 385 Ca 0.05 0.20 -0.02 0.00 -0.02 0.00 0.00 57.16 57.37 1p81 n GLU 385 Cb 0.22 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1p81 n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1p81 h ASN 386 N -0.13 0.00 -0.85 1.62 -0.73 -0.80 -3.24 115.58 111.44 1p81 h ASN 386 Ca -0.55 0.00 0.11 0.00 1.87 0.00 0.00 56.30 57.73 1p81 h ASN 386 Cb 1.88 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 40.39 1p81 h ASN 386 CO -0.09 0.53 0.49 -0.08 -0.37 0.00 0.00 177.43 177.90 1p81 h GLU 387 N -0.82 0.76 -0.01 6.67 4.57 -1.09 -1.94 114.58 122.73 1p81 h GLU 387 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1p81 h GLU 387 Cb 0.24 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1p81 h GLU 387 CO 0.00 0.50 -0.05 1.04 -1.18 0.00 0.00 179.01 179.32 1p81 n GLN 388 N -4.75 1.22 -2.01 1.92 6.02 -0.82 -4.91 117.38 114.05 1p81 n GLN 388 Ca 0.15 -0.54 -0.37 0.00 -0.01 0.00 0.00 57.00 56.23 1p81 n GLN 388 Cb 0.32 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.11 1p81 n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p81 s ALA 389 N -2.15 2.80 -0.13 -1.58 0.00 -0.73 -4.88 121.76 115.09 1p81 s ALA 389 Ca 0.37 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 1p81 s ALA 389 Cb 0.21 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1p81 s ALA 389 CO 0.39 -1.07 -0.05 0.00 0.00 0.00 0.00 175.76 175.03 1p81 s ALA 390 N -1.46 1.30 0.08 0.00 0.00 -1.26 -5.04 121.76 115.37 1p81 s ALA 390 Ca 0.70 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1p81 s ALA 390 Cb -0.34 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1p81 s ALA 390 CO 0.39 -0.62 0.02 -0.06 0.00 0.00 0.00 175.76 175.50 1p81 s PHE 391 N 1.72 3.06 -0.25 0.00 0.08 -1.26 -5.00 117.98 116.33 1p81 s PHE 391 Ca 0.03 0.01 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 1p81 s PHE 391 Cb -0.14 -1.57 0.09 0.00 -0.57 0.00 0.00 43.02 40.83 1p81 s PHE 391 CO -0.08 0.49 0.57 -1.58 -0.10 0.00 0.00 175.22 174.53 1p81 s HIS 392 N -1.32 -1.01 0.29 0.36 5.65 -1.26 -4.95 115.29 113.04 1p81 s HIS 392 Ca 0.26 1.92 0.37 0.00 0.25 0.00 0.00 55.06 57.86 1p81 s HIS 392 Cb -0.12 0.56 1.84 0.00 -1.18 0.00 0.00 32.58 33.68 1p81 s HIS 392 CO 0.19 -0.53 2.11 -1.00 -0.65 0.00 0.00 174.74 174.86 1p81 h PRO 393 N 7.54 0.00 0.00 2.88 0.13 -1.91 0.16 132.00 140.80 1p81 h PRO 393 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1p81 h PRO 393 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1p81 h PRO 393 CO 0.16 0.00 -0.03 0.78 -0.23 0.00 0.00 178.00 178.68 1p81 h GLY 394 N 0.74 0.00 -7.46 1.56 0.00 -1.89 -3.40 103.07 92.63 1p81 h GLY 394 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1p81 h GLY 394 CO 0.00 0.00 1.63 0.30 0.00 0.00 0.00 176.54 178.47 1p81 s HIS 395 N -3.82 2.47 0.49 5.60 3.76 0.04 -4.93 115.29 118.89 1p81 s HIS 395 Ca -0.01 -0.81 0.06 0.00 -0.15 0.00 0.00 55.06 54.16 1p81 s HIS 395 Cb 0.10 -4.56 0.01 0.00 1.11 0.00 0.00 32.58 29.24 1p81 s HIS 395 CO 0.53 -1.77 0.34 0.96 -0.85 0.00 0.00 174.74 173.95 1p81 s ILE 396 N 6.07 1.99 0.21 0.60 -4.36 -1.26 -1.07 121.20 123.38 1p81 s ILE 396 Ca 0.55 -1.51 0.03 0.00 -0.26 0.00 0.00 60.65 59.46 1p81 s ILE 396 Cb 0.01 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 1p81 s ILE 396 CO 0.01 0.00 -0.01 0.68 0.24 0.00 0.00 174.94 175.86 1p81 s VAL 397 N -2.67 0.96 0.18 8.37 -7.23 -1.26 -4.81 120.40 113.94 1p81 s VAL 397 Ca 0.38 -2.03 -0.33 0.00 -1.81 0.00 0.00 61.98 58.19 1p81 s VAL 397 Cb -0.01 -2.25 -0.15 0.00 0.56 0.00 0.00 36.38 34.53 1p81 s VAL 397 CO 0.22 -0.39 1.38 -2.65 -0.31 0.00 0.00 175.10 173.35 1p81 n PRO 398 N -0.36 1.70 0.00 4.82 -0.02 -1.26 -1.42 135.00 138.46 1p81 n PRO 398 Ca -0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1p81 n PRO 398 Cb 0.63 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1p81 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p81 n GLY 399 N 2.48 1.85 3.53 -1.23 0.00 -1.26 -3.45 105.19 107.10 1p81 n GLY 399 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1p81 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p81 s LEU 400 N 0.00 2.72 0.23 0.99 1.43 -0.50 -0.69 118.68 122.85 1p81 s LEU 400 Ca 0.00 -1.07 -0.22 0.00 -1.03 0.00 0.00 54.13 51.80 1p81 s LEU 400 Cb 0.00 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 45.14 1p81 s LEU 400 CO 0.00 -0.09 0.85 -0.62 0.23 0.00 0.00 176.35 176.72 1p81 s ASP 401 N -3.58 -0.19 0.63 2.29 3.68 -0.54 -4.74 116.67 114.21 1p81 s ASP 401 Ca 0.32 -0.56 -0.00 0.00 2.13 0.00 0.00 52.55 54.44 1p81 s ASP 401 Cb -0.02 0.62 0.10 0.00 -1.45 0.00 0.00 42.92 42.17 1p81 s ASP 401 CO 0.16 -1.16 0.66 0.49 0.13 0.00 0.00 175.17 175.46 1p81 n PHE 402 N -0.48 -3.11 -4.36 -5.34 0.99 -1.26 -1.06 117.46 102.84 1p81 n PHE 402 Ca -0.05 -1.15 -0.21 0.00 -0.00 0.00 0.00 57.45 56.04 1p81 n PHE 402 Cb 0.60 -0.48 -0.08 0.00 -1.00 0.00 0.00 39.48 38.51 1p81 n PHE 402 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1p81 s THR 403 N -1.97 0.23 -2.06 4.37 -4.23 -1.26 -4.20 115.64 106.52 1p81 s THR 403 Ca 0.44 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.19 1p81 s THR 403 Cb -0.02 -2.45 0.67 0.00 1.34 0.00 0.00 72.50 72.04 1p81 s THR 403 CO 0.29 0.00 1.91 0.59 -0.54 0.00 0.00 174.62 176.87 1p81 n ASN 404 N -1.34 0.23 -2.92 3.99 3.02 -1.26 -4.73 115.26 112.25 1p81 n ASN 404 Ca 0.02 -1.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.87 1p81 n ASN 404 Cb 0.64 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.73 1p81 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p81 n ASP 405 N -0.72 0.66 0.27 6.41 -0.08 -1.26 -4.78 116.55 117.05 1p81 n ASP 405 Ca 0.18 0.64 0.18 0.00 -1.51 0.00 0.00 54.79 54.28 1p81 n ASP 405 Cb 0.12 -0.57 0.78 0.00 2.34 0.00 0.00 41.12 43.80 1p81 n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1p81 h PRO 406 N 4.18 0.00 0.00 -0.67 0.13 -1.77 0.74 132.00 134.62 1p81 h PRO 406 Ca -0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1p81 h PRO 406 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1p81 h PRO 406 CO 0.65 0.00 -0.22 1.25 -0.23 0.00 0.00 178.00 179.45 1p81 h LEU 407 N 0.00 0.00 -1.07 1.56 5.85 -1.80 -2.56 115.31 117.29 1p81 h LEU 407 Ca 0.00 -0.67 0.04 0.00 0.84 0.00 0.00 57.88 58.10 1p81 h LEU 407 Cb 0.35 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1p81 h LEU 407 CO 0.00 0.96 0.63 0.25 -0.34 0.00 0.00 178.44 179.94 1p81 h LEU 408 N -1.00 1.02 -0.71 2.25 5.85 -1.83 -2.19 115.31 118.70 1p81 h LEU 408 Ca -0.05 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1p81 h LEU 408 Cb 0.82 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1p81 h LEU 408 CO -0.03 0.69 0.43 1.56 -0.34 0.00 0.00 178.44 180.74 1p81 h GLN 409 N 1.18 0.78 0.00 1.25 1.08 -0.98 -2.41 115.11 116.01 1p81 h GLN 409 Ca 0.39 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.45 1p81 h GLN 409 Cb 0.06 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1p81 h GLN 409 CO -0.13 0.52 -0.47 0.78 -0.95 0.00 0.00 178.83 178.58 1p81 h GLY 410 N 0.81 0.00 1.49 3.46 0.00 -1.58 -3.06 103.07 104.19 1p81 h GLY 410 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1p81 h GLY 410 CO -0.14 0.00 0.22 3.21 0.00 0.00 0.00 176.54 179.83 1p81 h ARG 411 N 0.00 0.67 -0.44 4.80 3.08 -0.92 -1.98 114.38 119.58 1p81 h ARG 411 Ca -0.01 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.05 1p81 h ARG 411 Cb 1.34 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1p81 h ARG 411 CO 0.06 0.53 0.31 -0.07 -1.07 0.00 0.00 179.97 179.72 1p81 h LEU 412 N 0.67 0.19 -0.14 3.04 3.38 -1.35 -2.10 115.31 118.99 1p81 h LEU 412 Ca 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1p81 h LEU 412 Cb 0.08 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1p81 h LEU 412 CO -0.02 0.12 -0.54 0.15 0.09 0.00 0.00 178.44 178.23 1p81 h PHE 413 N 0.21 0.82 -0.13 1.13 3.57 -1.51 -3.39 116.94 117.64 1p81 h PHE 413 Ca 0.20 -0.34 -0.22 0.00 3.53 0.00 0.00 57.97 61.14 1p81 h PHE 413 Cb 0.54 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.15 1p81 h PHE 413 CO -0.00 1.13 -0.80 1.03 -2.23 0.00 0.00 178.31 177.44 1p81 h SER 414 N 0.27 0.87 1.17 0.41 0.87 -1.31 -3.11 113.55 112.72 1p81 h SER 414 Ca -0.03 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 1p81 h SER 414 Cb 1.17 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1p81 h SER 414 CO 0.11 1.38 0.00 1.88 -0.53 0.00 0.00 176.83 179.67 1p81 h TYR 415 N 0.49 0.00 0.10 2.24 0.99 -1.73 -1.26 116.97 117.80 1p81 h TYR 415 Ca -0.06 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.54 1p81 h TYR 415 Cb 1.43 0.00 0.01 0.00 1.00 0.00 0.00 36.73 39.17 1p81 h TYR 415 CO 0.08 0.00 -0.61 1.15 -0.00 0.00 0.00 178.16 178.78 1p81 h THR 416 N 0.00 1.57 -0.21 -2.88 2.02 -1.79 -3.37 112.91 108.25 1p81 h THR 416 Ca 0.00 -2.47 0.04 0.00 0.77 0.00 0.00 66.41 64.75 1p81 h THR 416 Cb 0.58 3.23 -0.04 0.00 -1.74 0.00 0.00 68.15 70.18 1p81 h THR 416 CO 0.00 0.68 -0.06 -0.78 0.37 0.00 0.00 175.52 175.73 1p81 h ASP 417 N -0.56 -0.23 -0.26 4.18 3.58 -1.43 -2.96 116.42 118.75 1p81 h ASP 417 Ca -0.11 0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.44 1p81 h ASP 417 Cb 1.46 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.64 1p81 h ASP 417 CO 0.10 -0.08 0.18 0.00 -2.88 0.00 0.00 179.24 176.55 1p81 h THR 418 N -0.02 0.98 -0.00 2.25 1.03 -1.41 -2.04 112.91 113.71 1p81 h THR 418 Ca 0.11 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.43 1p81 h THR 418 Cb 0.18 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 1p81 h THR 418 CO -0.23 0.04 -0.00 0.00 -0.01 0.00 0.00 175.52 175.32 1p81 n GLN 419 N -4.49 0.69 0.09 0.00 3.00 -1.12 -2.09 117.38 113.47 1p81 n GLN 419 Ca 0.02 -0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.02 1p81 n GLN 419 Cb 0.18 -1.50 0.37 0.00 0.00 0.00 0.00 30.24 29.29 1p81 n GLN 419 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1p81 h ILE 420 N 0.02 1.18 0.05 5.09 1.08 -1.50 0.56 117.51 123.99 1p81 h ILE 420 Ca 0.00 -0.79 -0.38 0.00 -0.39 0.00 0.00 64.86 63.30 1p81 h ILE 420 Cb 0.16 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.02 1p81 h ILE 420 CO 0.00 0.25 -2.31 -1.54 -0.69 0.00 0.00 178.15 173.87 1p81 n SER 421 N -4.27 2.02 -0.02 1.72 3.41 -1.13 -1.96 113.62 113.39 1p81 n SER 421 Ca -0.00 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 1p81 n SER 421 Cb 0.27 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 1p81 n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1p81 h ARG 422 N 0.03 0.18 -0.36 4.33 2.43 -1.30 -3.02 114.38 116.67 1p81 h ARG 422 Ca -0.52 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1p81 h ARG 422 Cb 1.95 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1p81 h ARG 422 CO -0.02 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.93 1p81 n LEU 423 N -4.94 4.47 -0.41 3.80 4.77 0.18 -4.38 117.00 120.49 1p81 n LEU 423 Ca -0.05 -3.00 -0.05 0.00 -0.03 0.00 0.00 56.01 52.88 1p81 n LEU 423 Cb 0.08 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 1p81 n LEU 423 CO 0.34 0.66 -0.05 0.61 -1.33 0.00 0.00 177.39 177.62 1p81 n GLY 424 N -0.16 0.66 0.00 -0.72 0.00 -1.14 -4.79 105.19 99.04 1p81 n GLY 424 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1p81 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p81 n GLY 425 N -0.66 -1.97 0.02 -0.02 0.00 -0.83 -4.78 105.19 96.96 1p81 n GLY 425 Ca -0.05 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 44.67 1p81 n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p81 n PRO 426 N -1.00 0.41 -0.69 1.61 -0.04 -1.26 -3.51 135.00 130.52 1p81 n PRO 426 Ca 0.00 -0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.37 1p81 n PRO 426 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 1p81 n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p81 n ASN 427 N -1.26 3.81 0.33 3.54 3.02 -1.26 -4.54 115.26 118.89 1p81 n ASN 427 Ca 0.13 -2.82 0.21 0.00 -0.03 0.00 0.00 54.58 52.07 1p81 n ASN 427 Cb 0.26 -0.67 1.11 0.00 -0.61 0.00 0.00 39.78 39.87 1p81 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1p81 h PHE 428 N 1.65 0.00 0.00 3.10 -5.15 -1.86 -0.35 116.94 114.33 1p81 h PHE 428 Ca 0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 1p81 h PHE 428 Cb 1.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.01 1p81 h PHE 428 CO 0.88 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 174.80 1p81 n HIS 429 N -3.14 0.63 0.99 6.09 1.44 -1.26 -2.20 115.22 117.75 1p81 n HIS 429 Ca -0.02 0.24 0.12 0.00 -2.01 0.00 0.00 57.72 56.04 1p81 n HIS 429 Cb 0.11 -0.88 0.21 0.00 0.12 0.00 0.00 29.99 29.55 1p81 n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1p81 n GLU 430 N -2.06 0.01 -1.93 -1.40 1.02 -0.14 -3.04 120.64 113.10 1p81 n GLU 430 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1p81 n GLU 430 Cb 0.24 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1p81 n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p81 s ILE 431 N -3.01 2.86 0.25 -3.67 1.01 -0.94 -4.82 121.20 112.89 1p81 s ILE 431 Ca 0.11 0.47 -0.13 0.00 0.00 0.00 0.00 60.65 61.09 1p81 s ILE 431 Cb 0.17 -3.30 0.33 0.00 0.01 0.00 0.00 42.46 39.67 1p81 s ILE 431 CO 0.72 0.01 1.56 -0.65 0.00 0.00 0.00 174.94 176.58 1p81 h PRO 432 N 7.69 -0.01 -0.12 2.79 0.11 -1.89 0.93 132.00 141.49 1p81 h PRO 432 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1p81 h PRO 432 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1p81 h PRO 432 CO 0.92 -0.01 0.02 0.97 -0.21 0.00 0.00 178.00 179.69 1p81 h ILE 433 N -0.01 1.07 0.00 4.15 6.09 -1.90 -2.65 117.51 124.27 1p81 h ILE 433 Ca 0.40 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.62 1p81 h ILE 433 Cb 0.65 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1p81 h ILE 433 CO -0.97 0.09 -0.21 0.78 -3.07 0.00 0.00 178.15 174.77 1p81 h ASN 434 N 0.17 0.00 -3.08 2.19 2.35 -1.09 -3.47 115.58 112.65 1p81 h ASN 434 Ca 0.04 -0.07 -0.53 0.00 -0.55 0.00 0.00 56.30 55.20 1p81 h ASN 434 Cb 0.09 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.51 1p81 h ASN 434 CO -0.00 0.03 0.82 -0.13 -1.65 0.00 0.00 177.43 176.50 1p81 s ARG 435 N -3.13 4.24 0.68 0.81 0.52 -1.00 -4.85 118.95 116.22 1p81 s ARG 435 Ca 0.09 2.33 -0.17 0.00 -0.52 0.00 0.00 55.73 57.46 1p81 s ARG 435 Cb 0.12 -3.14 -0.00 0.00 0.52 0.00 0.00 34.95 32.45 1p81 s ARG 435 CO 0.64 -0.52 1.13 -2.30 0.02 0.00 0.00 175.30 174.27 1p81 n PRO 436 N 3.24 0.80 0.00 3.54 -0.02 -1.26 -4.93 135.00 136.37 1p81 n PRO 436 Ca 0.11 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1p81 n PRO 436 Cb 0.39 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 1p81 n PRO 436 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1p81 n THR 437 N -2.21 0.00 -2.60 3.45 -2.24 -1.26 -4.92 114.28 104.50 1p81 n THR 437 Ca 0.15 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.69 1p81 n THR 437 Cb 0.49 0.99 0.05 0.00 -2.10 0.00 0.00 70.33 69.75 1p81 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p81 s PRO 439 N -4.85 3.56 -0.06 0.00 0.02 -1.26 -5.03 135.00 127.38 1p81 s PRO 439 Ca 0.59 2.20 -0.03 0.00 0.02 0.00 0.00 61.00 63.78 1p81 s PRO 439 Cb -0.10 -2.50 0.04 0.00 0.02 0.00 0.00 34.50 31.96 1p81 s PRO 439 CO 0.40 -0.84 0.11 1.52 -0.33 0.00 0.00 177.00 177.86 1p81 s TYR 440 N -1.30 -0.07 -0.05 6.54 1.13 -1.26 -4.97 117.35 117.37 1p81 s TYR 440 Ca 0.64 0.44 -0.02 0.00 -1.41 0.00 0.00 57.07 56.72 1p81 s TYR 440 Cb -0.39 -0.36 0.03 0.00 -1.10 0.00 0.00 41.96 40.14 1p81 s TYR 440 CO 0.48 -0.23 0.11 -1.01 -2.51 0.00 0.00 175.55 172.40 1p81 s HIS 441 N 2.20 -0.11 0.02 -3.49 3.76 -1.26 -5.16 115.29 111.24 1p81 s HIS 441 Ca 0.04 0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 55.31 1p81 s HIS 441 Cb -0.12 -0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1p81 s HIS 441 CO -0.04 -0.13 0.05 0.27 -0.85 0.00 0.00 174.74 174.03 1p81 n ASN 442 N 4.00 -0.12 -1.17 1.40 0.23 -1.26 -4.93 115.26 113.42 1p81 n ASN 442 Ca -0.24 -1.08 0.09 0.00 -0.53 0.00 0.00 54.58 52.82 1p81 n ASN 442 Cb 0.53 0.19 0.28 0.00 -2.08 0.00 0.00 39.78 38.70 1p81 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1p81 n PHE 443 N -0.03 0.94 -2.54 -2.53 3.01 -1.26 -4.95 117.46 110.10 1p81 n PHE 443 Ca -0.00 -0.55 -0.40 0.00 1.01 0.00 0.00 57.45 57.50 1p81 n PHE 443 Cb 0.03 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.37 1p81 n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1p81 s GLN 444 N -1.30 4.68 0.16 -1.08 -0.21 -1.26 -4.70 119.66 115.94 1p81 s GLN 444 Ca 0.41 1.72 0.01 0.00 0.02 0.00 0.00 55.36 57.53 1p81 s GLN 444 Cb 0.24 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 1p81 s GLN 444 CO 0.25 0.25 0.02 1.03 -2.12 0.00 0.00 175.29 174.72 1p81 s ARG 445 N -1.19 1.04 3.80 2.91 1.81 -1.26 -5.08 118.95 120.97 1p81 s ARG 445 Ca 0.45 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.96 1p81 s ARG 445 Cb -0.30 -0.08 0.00 0.00 -0.45 0.00 0.00 34.95 34.12 1p81 s ARG 445 CO 0.38 -0.18 0.00 -0.25 -0.68 0.00 0.00 175.30 174.57 1p81 n ASP 446 N -0.18 -0.01 0.00 0.23 8.00 -1.26 -5.06 116.55 118.27 1p81 n ASP 446 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1p81 n ASP 446 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1p81 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p81 n GLY 447 N 0.00 0.79 3.77 0.44 0.00 -1.26 -4.69 105.19 104.24 1p81 n GLY 447 Ca 0.00 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1p81 n GLY 447 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p81 s MET 448 N -3.04 3.80 -1.29 1.61 1.75 -1.26 -3.11 119.30 117.75 1p81 s MET 448 Ca 0.00 2.28 -0.13 0.00 -1.25 0.00 0.00 55.69 56.59 1p81 s MET 448 Cb 0.00 -2.68 0.00 0.00 2.84 0.00 0.00 34.83 34.99 1p81 s MET 448 CO 0.00 -0.68 0.56 1.58 -0.65 0.00 0.00 175.02 175.83 1p81 n HIS 449 N -0.08 -1.67 -2.26 4.11 -0.00 -1.26 -4.50 115.22 109.57 1p81 n HIS 449 Ca 0.05 0.53 -0.42 0.00 -0.00 0.00 0.00 57.72 57.87 1p81 n HIS 449 Cb 0.43 -3.41 -0.03 0.00 -0.00 0.00 0.00 29.99 26.98 1p81 n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1p81 s ARG 450 N -6.56 4.24 -0.21 1.57 6.06 -1.18 -4.91 118.95 117.96 1p81 s ARG 450 Ca 0.24 1.89 -0.16 0.00 -2.50 0.00 0.00 55.73 55.20 1p81 s ARG 450 Cb -0.10 -3.75 -0.18 0.00 0.06 0.00 0.00 34.95 30.97 1p81 s ARG 450 CO 0.90 -0.68 0.09 -1.33 -2.50 0.00 0.00 175.30 171.77 1p81 n MET 451 N 6.26 0.60 -1.90 5.12 2.81 -1.26 -4.94 117.12 123.82 1p81 n MET 451 Ca 0.14 0.44 -0.42 0.00 -1.81 0.00 0.00 57.70 56.05 1p81 n MET 451 Cb 0.44 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 1p81 n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1p81 s GLY 452 N -5.20 1.52 -0.45 3.03 0.00 -1.26 -4.95 107.32 100.01 1p81 s GLY 452 Ca -0.30 1.33 -0.13 0.00 0.00 0.00 0.00 44.72 45.61 1p81 s GLY 452 CO 0.60 2.78 0.35 -0.42 0.00 0.00 0.00 173.10 176.40 1p81 s ILE 453 N 1.80 4.91 0.11 0.90 1.01 -1.26 -4.98 121.20 123.68 1p81 s ILE 453 Ca 0.72 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 1p81 s ILE 453 Cb -0.43 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.04 1p81 s ILE 453 CO 0.32 -0.55 0.99 -1.81 0.00 0.00 0.00 174.94 173.90 1p81 s ASP 454 N 2.42 7.44 0.00 3.58 1.11 -1.26 -4.94 116.67 125.01 1p81 s ASP 454 Ca 0.04 1.83 0.15 0.00 0.18 0.00 0.00 52.55 54.75 1p81 s ASP 454 Cb -0.24 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.14 1p81 s ASP 454 CO 0.05 -0.12 0.80 0.35 1.18 0.00 0.00 175.17 177.43 1p81 n THR 455 N 2.90 0.00 -1.70 -1.27 -2.24 -1.26 -4.98 114.28 105.74 1p81 n THR 455 Ca 0.03 -0.32 -0.44 0.00 -2.27 0.00 0.00 64.05 61.06 1p81 n THR 455 Cb 0.49 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1p81 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p81 n ASN 456 N -0.30 3.59 0.20 3.42 2.85 -1.26 -4.83 115.26 118.93 1p81 n ASN 456 Ca 0.06 1.07 0.09 0.00 -0.11 0.00 0.00 54.58 55.70 1p81 n ASN 456 Cb 0.31 -1.51 0.63 0.00 1.24 0.00 0.00 39.78 40.45 1p81 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1p81 h PRO 457 N 6.31 0.04 -5.78 1.20 0.11 -1.93 -3.41 132.00 128.53 1p81 h PRO 457 Ca -0.44 -0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.02 1p81 h PRO 457 Cb 1.23 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1p81 h PRO 457 CO 0.92 0.02 -0.46 0.00 -0.21 0.00 0.00 178.00 178.28 1p81 s ALA 458 N -5.09 3.90 -0.19 -0.75 0.00 -1.26 -5.00 121.76 113.37 1p81 s ALA 458 Ca -0.05 -0.67 0.14 0.00 0.00 0.00 0.00 51.96 51.37 1p81 s ALA 458 Cb 0.17 -1.96 0.43 0.00 0.00 0.00 0.00 23.12 21.76 1p81 s ALA 458 CO 0.68 0.68 1.20 0.27 0.00 0.00 0.00 175.76 178.59 1p81 n ASN 459 N 1.32 2.13 -3.60 0.00 2.04 -1.26 -4.99 115.26 110.90 1p81 n ASN 459 Ca -0.14 -3.44 -0.11 0.00 -0.44 0.00 0.00 54.58 50.45 1p81 n ASN 459 Cb 0.53 -0.45 -0.04 0.00 -2.53 0.00 0.00 39.78 37.29 1p81 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1p81 s TYR 460 N -2.75 -0.27 -0.00 -2.53 -0.85 -1.26 -4.82 117.35 104.87 1p81 s TYR 460 Ca 0.39 -0.02 -0.07 0.00 -0.52 0.00 0.00 57.07 56.84 1p81 s TYR 460 Cb 0.38 0.35 0.00 0.00 0.38 0.00 0.00 41.96 43.07 1p81 s TYR 460 CO -0.07 -0.77 0.15 -1.83 -1.52 0.00 0.00 175.55 171.51 1p81 s GLU 461 N -3.80 0.47 0.35 -3.49 4.04 -1.26 -4.07 118.70 110.94 1p81 s GLU 461 Ca 0.03 -0.34 -0.27 0.00 0.04 0.00 0.00 54.97 54.43 1p81 s GLU 461 Cb 0.01 0.20 -0.09 0.00 0.02 0.00 0.00 34.13 34.26 1p81 s GLU 461 CO -0.11 -0.11 1.17 -1.25 -1.84 0.00 0.00 175.26 173.12 1p81 s PRO 462 N -1.27 4.28 0.08 -4.83 0.04 -1.26 -5.20 135.00 126.85 1p81 s PRO 462 Ca -0.14 1.90 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1p81 s PRO 462 Cb -0.07 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 1p81 s PRO 462 CO 0.02 -0.14 -0.14 0.54 0.04 0.00 0.00 177.00 177.32 1p81 s ASN 463 N -0.94 1.71 -0.09 6.66 2.20 -1.26 -5.03 114.94 118.19 1p81 s ASN 463 Ca 0.52 -0.66 0.16 0.00 -0.94 0.00 0.00 52.86 51.94 1p81 s ASN 463 Cb -0.33 -0.05 -0.24 0.00 -2.00 0.00 0.00 41.25 38.64 1p81 s ASN 463 CO 0.42 -0.10 0.22 -1.54 -2.94 0.00 0.00 177.10 173.16 1p81 n SER 464 N 1.11 0.95 0.22 3.54 3.41 -1.26 -1.10 113.62 120.49 1p81 n SER 464 Ca -0.20 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.57 1p81 n SER 464 Cb 0.55 1.36 0.73 0.00 -0.26 0.00 0.00 64.21 66.59 1p81 n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1p81 h ILE 465 N 0.00 0.00 0.00 -1.33 3.07 -1.99 -0.05 117.51 117.22 1p81 h ILE 465 Ca -0.22 -0.21 -0.01 0.00 1.55 0.00 0.00 64.86 65.97 1p81 h ILE 465 Cb 1.40 1.01 -0.02 0.00 -0.27 0.00 0.00 36.82 38.95 1p81 h ILE 465 CO 0.01 0.00 -0.24 -3.20 -1.05 0.00 0.00 178.15 173.68 1p81 n ASN 466 N -2.66 1.70 -3.97 2.16 5.15 -1.26 -4.89 115.26 111.49 1p81 n ASN 466 Ca -0.00 -2.94 -0.31 0.00 -0.60 0.00 0.00 54.58 50.73 1p81 n ASN 466 Cb 0.17 -0.39 0.02 0.00 -0.53 0.00 0.00 39.78 39.04 1p81 n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1p81 n ASP 467 N -0.99 -4.35 -0.62 1.20 2.03 -0.03 -1.96 116.55 111.81 1p81 n ASP 467 Ca 0.13 -0.83 -0.08 0.00 0.52 0.00 0.00 54.79 54.53 1p81 n ASP 467 Cb 0.69 -3.65 -0.03 0.00 -0.72 0.00 0.00 41.12 37.40 1p81 n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1p81 n ASN 468 N -2.81 -5.45 -4.85 1.67 5.15 -0.26 -4.99 115.26 103.72 1p81 n ASN 468 Ca 0.03 0.20 -0.33 0.00 -0.60 0.00 0.00 54.58 53.89 1p81 n ASN 468 Cb 0.52 -3.67 -0.06 0.00 -0.53 0.00 0.00 39.78 36.05 1p81 n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1p81 s TRP 469 N -1.81 3.42 0.31 1.20 0.52 -0.83 -3.53 118.94 118.22 1p81 s TRP 469 Ca 0.00 1.13 -0.28 0.00 0.02 0.00 0.00 56.10 56.97 1p81 s TRP 469 Cb 0.00 -2.46 -0.09 0.00 -1.15 0.00 0.00 33.47 29.77 1p81 s TRP 469 CO 0.00 0.18 1.10 -1.25 0.02 0.00 0.00 176.95 177.00 1p81 s PRO 470 N -2.79 4.52 0.07 4.98 0.04 -1.26 -4.91 135.00 135.66 1p81 s PRO 470 Ca 0.50 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 1p81 s PRO 470 Cb -0.11 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1p81 s PRO 470 CO 0.19 0.12 0.26 1.03 0.04 0.00 0.00 177.00 178.64 1p81 s ARG 471 N -1.67 3.50 0.77 4.56 0.52 -1.23 -5.01 118.95 120.38 1p81 s ARG 471 Ca 0.47 -0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 55.24 1p81 s ARG 471 Cb -0.30 -3.00 0.06 0.00 0.52 0.00 0.00 34.95 32.23 1p81 s ARG 471 CO 0.39 0.58 1.24 -1.21 0.02 0.00 0.00 175.30 176.31 1p81 s GLU 472 N -2.43 1.86 -0.07 3.54 2.02 -1.26 -5.02 118.70 117.34 1p81 s GLU 472 Ca 0.35 1.86 0.01 0.00 0.02 0.00 0.00 54.97 57.22 1p81 s GLU 472 Cb -0.13 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.33 1p81 s GLU 472 CO 0.25 -2.07 -0.09 0.99 0.02 0.00 0.00 175.26 174.36 1p81 s THR 473 N -1.92 0.98 0.66 3.63 2.01 -1.26 -5.08 115.64 114.66 1p81 s THR 473 Ca 0.76 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.24 1p81 s THR 473 Cb -0.32 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1p81 s THR 473 CO 0.48 0.33 1.25 -2.84 -0.69 0.00 0.00 174.62 173.15 1p81 s PRO 474 N 0.99 2.48 0.79 4.92 0.02 -1.26 -2.18 135.00 140.76 1p81 s PRO 474 Ca -0.09 1.94 -0.12 0.00 0.02 0.00 0.00 61.00 62.75 1p81 s PRO 474 Cb -0.15 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.59 1p81 s PRO 474 CO -0.00 -1.61 1.14 -1.25 -0.33 0.00 0.00 177.00 174.94 1p81 s PRO 475 N -3.53 1.94 -0.02 5.54 0.04 -1.25 -1.81 135.00 135.90 1p81 s PRO 475 Ca 0.79 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 63.10 1p81 s PRO 475 Cb -0.34 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.43 1p81 s PRO 475 CO 0.40 -1.93 0.87 0.41 0.04 0.00 0.00 177.00 176.79 1p81 n GLY 476 N -0.29 0.33 0.21 0.56 0.00 -1.26 -4.78 105.19 99.95 1p81 n GLY 476 Ca 0.11 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 1p81 n GLY 476 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1p81 h PRO 477 N 0.00 0.67 -3.81 1.61 0.11 -1.95 -3.40 132.00 125.23 1p81 h PRO 477 Ca -0.14 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.73 1p81 h PRO 477 Cb 0.79 -0.14 -0.23 0.00 0.11 0.00 0.00 31.00 31.52 1p81 h PRO 477 CO 0.21 0.48 -0.67 0.15 -0.21 0.00 0.00 178.00 177.95 1p81 s LYS 478 N -6.04 0.24 -1.35 1.05 1.02 -1.26 -4.83 119.74 108.56 1p81 s LYS 478 Ca -0.13 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 1p81 s LYS 478 Cb 0.12 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.54 1p81 s LYS 478 CO 0.74 -0.04 0.31 0.54 -0.92 0.00 0.00 175.35 175.98 1p81 n ARG 479 N 2.08 -3.22 -3.45 1.68 5.12 -1.26 -4.98 116.66 112.63 1p81 n ARG 479 Ca -0.20 0.70 -0.19 0.00 -1.93 0.00 0.00 57.85 56.23 1p81 n ARG 479 Cb 0.57 -5.41 -0.01 0.00 -1.16 0.00 0.00 32.46 26.45 1p81 n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1p81 s GLY 480 N -2.42 1.65 0.69 -0.13 0.00 -1.26 -4.97 107.32 100.88 1p81 s GLY 480 Ca 0.20 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 43.30 1p81 s GLY 480 CO 0.25 -1.41 1.07 -0.32 0.00 0.00 0.00 173.10 172.69 1p81 s GLY 481 N -4.18 1.83 0.01 0.20 0.00 -0.75 -4.80 107.32 99.63 1p81 s GLY 481 Ca 0.46 0.25 -0.30 0.00 0.00 0.00 0.00 44.72 45.13 1p81 s GLY 481 CO 0.31 0.58 1.18 -0.12 0.00 0.00 0.00 173.10 175.05 1p81 s PHE 482 N -2.80 3.36 -0.06 1.90 5.36 -1.26 -3.97 117.98 120.51 1p81 s PHE 482 Ca 0.61 1.30 0.02 0.00 -0.96 0.00 0.00 56.93 57.90 1p81 s PHE 482 Cb -0.16 -3.40 0.02 0.00 -0.34 0.00 0.00 43.02 39.14 1p81 s PHE 482 CO 0.50 -1.19 -0.09 -2.00 -1.46 0.00 0.00 175.22 170.98 1p81 s GLU 483 N 1.50 1.40 0.36 10.12 2.12 -1.26 -4.95 118.70 127.99 1p81 s GLU 483 Ca 0.57 -0.30 -0.27 0.00 0.36 0.00 0.00 54.97 55.34 1p81 s GLU 483 Cb -0.27 -1.24 -0.09 0.00 0.26 0.00 0.00 34.13 32.80 1p81 s GLU 483 CO 0.26 -0.03 1.17 -1.12 -0.54 0.00 0.00 175.26 175.01 1p81 s SER 484 N 0.83 6.73 0.34 -1.70 0.01 -1.26 -4.97 113.70 113.68 1p81 s SER 484 Ca -0.12 2.38 -0.29 0.00 1.31 0.00 0.00 55.95 59.23 1p81 s SER 484 Cb -0.15 -2.62 -0.11 0.00 0.21 0.00 0.00 66.02 63.34 1p81 s SER 484 CO 0.02 -0.53 1.54 0.00 0.41 0.00 0.00 173.24 174.67 1p81 n TYR 485 N 0.43 2.92 -1.94 2.43 9.36 -1.26 -4.86 117.16 124.24 1p81 n TYR 485 Ca 0.02 0.36 -0.41 0.00 3.32 0.00 0.00 57.90 61.19 1p81 n TYR 485 Cb 0.45 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.60 1p81 n TYR 485 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1p81 n GLN 486 N 1.24 3.81 -1.99 2.98 6.02 -1.26 -4.95 117.38 123.23 1p81 n GLN 486 Ca 0.05 -3.11 -0.41 0.00 -0.01 0.00 0.00 57.00 53.52 1p81 n GLN 486 Cb 0.38 -2.87 -0.01 0.00 1.02 0.00 0.00 30.24 28.75 1p81 n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1p81 s GLU 487 N 0.71 4.26 0.03 -1.09 2.12 -1.26 -4.97 118.70 118.51 1p81 s GLU 487 Ca 0.51 2.36 -0.30 0.00 0.36 0.00 0.00 54.97 57.89 1p81 s GLU 487 Cb 0.15 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1p81 s GLU 487 CO -0.05 -0.33 1.09 0.50 -0.54 0.00 0.00 175.26 175.93 1p81 s ARG 488 N -1.87 4.50 -0.15 4.30 6.06 -1.26 -5.04 118.95 125.49 1p81 s ARG 488 Ca 0.51 1.60 0.01 0.00 -2.50 0.00 0.00 55.73 55.34 1p81 s ARG 488 Cb -0.42 -3.40 0.00 0.00 0.06 0.00 0.00 34.95 31.19 1p81 s ARG 488 CO 0.57 -0.15 -0.18 0.08 -2.50 0.00 0.00 175.30 173.12 1p81 s VAL 489 N 1.02 2.45 -0.18 7.11 1.01 -1.26 -5.10 120.40 125.45 1p81 s VAL 489 Ca 0.55 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1p81 s VAL 489 Cb -0.25 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.19 1p81 s VAL 489 CO 0.29 0.53 0.22 -1.61 0.00 0.00 0.00 175.10 174.53 1p81 s GLU 490 N 0.83 0.17 0.00 2.72 2.02 -1.26 -5.14 118.70 118.03 1p81 s GLU 490 Ca -0.06 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1p81 s GLU 490 Cb -0.15 -0.87 0.00 0.00 0.10 0.00 0.00 34.13 33.21 1p81 s GLU 490 CO -0.01 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.13 1p81 n GLY 491 N 5.33 1.38 3.92 -1.39 0.00 -1.26 -5.15 105.19 108.01 1p81 n GLY 491 Ca -0.05 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1p81 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p81 s ASN 492 N 0.00 6.22 -0.52 1.61 -0.87 -1.26 -4.99 114.94 115.13 1p81 s ASN 492 Ca 0.00 0.75 -0.27 0.00 -1.57 0.00 0.00 52.86 51.76 1p81 s ASN 492 Cb 0.00 -2.12 -0.01 0.00 -0.02 0.00 0.00 41.25 39.09 1p81 s ASN 492 CO 0.00 -0.52 1.76 -0.54 -2.57 0.00 0.00 177.10 175.23 1p81 s LYS 493 N -4.62 2.96 0.07 -0.60 1.02 -1.26 -4.97 119.74 112.35 1p81 s LYS 493 Ca 0.46 0.83 0.05 0.00 0.02 0.00 0.00 55.97 57.32 1p81 s LYS 493 Cb -0.10 -4.28 -0.03 0.00 -0.52 0.00 0.00 37.83 32.90 1p81 s LYS 493 CO 0.42 -2.32 -0.13 0.14 -0.92 0.00 0.00 175.35 172.54 1p81 s VAL 494 N 7.88 1.01 -0.84 3.17 -7.23 -1.26 -5.07 120.40 118.06 1p81 s VAL 494 Ca 0.68 -1.32 -0.09 0.00 -1.81 0.00 0.00 61.98 59.44 1p81 s VAL 494 Cb -0.15 -1.04 0.22 0.00 0.56 0.00 0.00 36.38 35.96 1p81 s VAL 494 CO 0.25 -0.29 0.75 -0.13 -0.31 0.00 0.00 175.10 175.38 1p81 s ARG 495 N -1.86 3.44 -0.09 4.82 0.52 -1.26 -5.01 118.95 119.51 1p81 s ARG 495 Ca -0.02 -2.71 -0.09 0.00 -0.52 0.00 0.00 55.73 52.40 1p81 s ARG 495 Cb -0.09 -4.24 0.02 0.00 0.52 0.00 0.00 34.95 31.16 1p81 s ARG 495 CO 0.02 -1.25 0.25 -2.00 0.02 0.00 0.00 175.30 172.33 1p81 s GLU 496 N -0.31 0.29 0.20 3.54 2.12 -1.26 -5.14 118.70 118.13 1p81 s GLU 496 Ca 0.21 0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.58 1p81 s GLU 496 Cb -0.12 0.14 -0.08 0.00 0.26 0.00 0.00 34.13 34.33 1p81 s GLU 496 CO -0.08 -0.03 0.95 0.50 -0.54 0.00 0.00 175.26 176.06 1p81 s ARG 497 N 0.12 4.80 0.22 4.30 6.06 -1.26 -5.01 118.95 128.19 1p81 s ARG 497 Ca -0.00 1.49 -0.30 0.00 -2.50 0.00 0.00 55.73 54.41 1p81 s ARG 497 Cb -0.02 -3.31 -0.10 0.00 0.06 0.00 0.00 34.95 31.59 1p81 s ARG 497 CO 0.00 0.41 1.44 0.45 -2.50 0.00 0.00 175.30 175.10 1p81 s SER 498 N -0.78 6.69 0.44 -2.12 0.15 -1.26 -4.89 113.70 111.93 1p81 s SER 498 Ca 0.43 2.60 0.19 0.00 0.70 0.00 0.00 55.95 59.87 1p81 s SER 498 Cb -0.25 -2.61 1.13 0.00 -1.71 0.00 0.00 66.02 62.57 1p81 s SER 498 CO 0.31 -0.69 1.88 -0.65 1.20 0.00 0.00 173.24 175.29 1p81 h PRO 499 N 5.44 0.34 0.00 5.44 0.11 -2.00 -0.42 132.00 140.90 1p81 h PRO 499 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1p81 h PRO 499 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p81 h PRO 499 CO 0.80 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.48 1p81 h SER 500 N 0.35 0.00 0.34 -2.05 4.64 -2.02 0.31 113.55 115.12 1p81 h SER 500 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1p81 h SER 500 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1p81 h SER 500 CO -0.14 0.00 -0.23 0.49 -0.87 0.00 0.00 176.83 176.08 1p81 n PHE 501 N -2.95 0.00 -1.03 4.77 3.01 -0.17 -4.34 117.46 116.76 1p81 n PHE 501 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 1p81 n PHE 501 Cb 0.11 -0.17 -0.11 0.00 -0.01 0.00 0.00 39.48 39.30 1p81 n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p81 n GLY 502 N 1.35 3.27 2.78 1.37 0.00 0.10 -4.75 105.19 109.31 1p81 n GLY 502 Ca 0.12 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 1p81 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p81 s GLU 503 N 0.14 0.58 0.00 1.61 -6.30 -1.26 -5.05 118.70 108.42 1p81 s GLU 503 Ca 0.54 0.09 0.00 0.00 -2.50 0.00 0.00 54.97 53.10 1p81 s GLU 503 Cb 0.28 -0.90 0.00 0.00 0.00 0.00 0.00 34.13 33.51 1p81 s GLU 503 CO -0.05 -0.27 0.14 0.66 0.02 0.00 0.00 175.26 175.76 1p81 n TYR 504 N 4.96 0.00 -0.02 5.30 4.01 -1.26 -4.88 117.16 125.27 1p81 n TYR 504 Ca -0.10 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.65 1p81 n TYR 504 Cb 0.50 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.46 1p81 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p81 n TYR 505 N -0.70 0.00 -0.12 -0.72 4.01 -1.26 -4.56 117.16 113.80 1p81 n TYR 505 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1p81 n TYR 505 Cb 0.00 -0.30 0.06 0.00 -0.31 0.00 0.00 39.34 38.79 1p81 n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p81 h SER 506 N 0.00 0.89 -0.31 7.72 4.64 -1.90 -2.01 113.55 122.58 1p81 h SER 506 Ca -0.09 -0.31 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 1p81 h SER 506 Cb 0.87 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1p81 h SER 506 CO 0.01 1.06 -0.14 0.45 -0.87 0.00 0.00 176.83 177.33 1p81 h HIS 507 N 0.77 0.74 -0.55 4.77 3.86 -1.90 -0.81 115.15 122.02 1p81 h HIS 507 Ca 0.11 -0.18 0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1p81 h HIS 507 Cb 0.73 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.94 1p81 h HIS 507 CO 0.04 0.86 0.07 -1.35 0.86 0.00 0.00 177.93 178.41 1p81 h PRO 508 N 0.40 0.19 -0.67 2.45 0.11 -1.80 -0.64 132.00 132.04 1p81 h PRO 508 Ca 0.07 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1p81 h PRO 508 Cb 0.66 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.70 1p81 h PRO 508 CO 0.04 0.12 0.18 -0.09 -0.21 0.00 0.00 178.00 178.05 1p81 h ARG 509 N 0.19 1.07 -0.48 1.05 2.43 -1.09 -1.41 114.38 116.14 1p81 h ARG 509 Ca 0.29 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1p81 h ARG 509 Cb 0.43 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1p81 h ARG 509 CO -0.41 0.94 0.32 1.25 -1.51 0.00 0.00 179.97 180.56 1p81 h LEU 510 N 1.00 0.55 0.18 3.80 5.85 -0.41 -1.07 115.31 125.21 1p81 h LEU 510 Ca 0.21 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1p81 h LEU 510 Cb 0.34 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1p81 h LEU 510 CO -0.00 0.40 -0.10 0.15 -0.34 0.00 0.00 178.44 178.56 1p81 h PHE 511 N 0.65 -0.25 -0.33 1.25 3.04 -0.98 -2.52 116.94 117.81 1p81 h PHE 511 Ca 0.18 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.19 1p81 h PHE 511 Cb -0.07 0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.45 1p81 h PHE 511 CO -0.04 -0.15 -0.15 2.35 -2.02 0.00 0.00 178.31 178.30 1p81 h TRP 512 N -0.26 -0.36 0.00 0.41 2.91 -0.92 -1.76 115.95 115.97 1p81 h TRP 512 Ca -0.02 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1p81 h TRP 512 Cb 0.21 0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1p81 h TRP 512 CO -0.08 -0.22 0.00 1.28 -1.03 0.00 0.00 178.44 178.39 1p81 n LEU 513 N -5.33 0.37 -0.28 0.65 4.77 -0.44 -2.44 117.00 114.31 1p81 n LEU 513 Ca 0.01 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 1p81 n LEU 513 Cb 0.24 -0.52 0.36 0.00 -2.33 0.00 0.00 43.42 41.18 1p81 n LEU 513 CO 0.15 -0.36 0.65 -1.20 -1.33 0.00 0.00 177.39 175.30 1p81 n SER 514 N -1.89 1.13 -4.88 -1.43 7.64 -0.67 -4.84 113.62 108.67 1p81 n SER 514 Ca 0.03 -0.97 -0.31 0.00 1.01 0.00 0.00 58.87 58.63 1p81 n SER 514 Cb 0.23 0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 1p81 n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p81 s GLN 515 N -2.46 3.77 0.88 1.43 -1.52 -1.02 -4.30 119.66 116.43 1p81 s GLN 515 Ca 0.25 0.25 -0.12 0.00 -1.95 0.00 0.00 55.36 53.79 1p81 s GLN 515 Cb 0.19 -2.61 0.12 0.00 -0.22 0.00 0.00 33.01 30.49 1p81 s GLN 515 CO 0.51 0.25 1.09 0.95 -0.25 0.00 0.00 175.29 177.84 1p81 s THR 516 N -1.95 2.70 0.26 -0.19 -4.23 -1.26 -4.73 115.64 106.25 1p81 s THR 516 Ca 0.47 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1p81 s THR 516 Cb -0.11 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.23 1p81 s THR 516 CO 0.24 -0.30 1.86 -0.65 -0.54 0.00 0.00 174.62 175.23 1p81 h PRO 517 N -1.48 1.04 0.00 3.99 0.11 -1.97 0.15 132.00 133.84 1p81 h PRO 517 Ca -0.49 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.42 1p81 h PRO 517 Cb 1.28 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1p81 h PRO 517 CO 0.55 0.69 -0.65 0.27 -0.21 0.00 0.00 178.00 178.66 1p81 h PHE 518 N 1.08 0.00 -0.23 0.65 -0.00 -1.97 -1.83 116.94 114.63 1p81 h PHE 518 Ca 0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 58.25 1p81 h PHE 518 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.18 1p81 h PHE 518 CO -0.01 0.65 -0.49 0.93 -0.00 0.00 0.00 178.31 179.38 1p81 h GLU 519 N 0.00 0.62 -0.64 6.09 5.08 -1.52 -1.94 114.58 122.28 1p81 h GLU 519 Ca -0.01 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1p81 h GLU 519 Cb 1.16 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1p81 h GLU 519 CO 0.08 0.97 0.31 1.96 -1.00 0.00 0.00 179.01 181.33 1p81 h GLN 520 N 0.49 0.92 -0.72 2.33 4.20 -0.55 -0.70 115.11 121.09 1p81 h GLN 520 Ca 0.02 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1p81 h GLN 520 Cb 1.03 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 1p81 h GLN 520 CO 0.10 0.74 0.47 -0.09 -0.67 0.00 0.00 178.83 179.38 1p81 h ARG 521 N 0.88 0.93 -0.17 1.46 2.43 -1.19 -0.93 114.38 117.79 1p81 h ARG 521 Ca 0.22 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1p81 h ARG 521 Cb 0.12 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1p81 h ARG 521 CO -0.03 0.62 -0.26 0.45 -1.51 0.00 0.00 179.97 179.24 1p81 h HIS 522 N 0.96 0.36 -0.12 2.20 3.86 -0.68 0.30 115.15 122.02 1p81 h HIS 522 Ca 0.27 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1p81 h HIS 522 Cb -0.09 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1p81 h HIS 522 CO -0.03 0.56 0.04 0.82 0.86 0.00 0.00 177.93 180.19 1p81 h ILE 523 N 0.29 1.16 -0.33 2.45 2.04 -0.69 0.47 117.51 122.90 1p81 h ILE 523 Ca 0.04 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1p81 h ILE 523 Cb 0.61 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1p81 h ILE 523 CO 0.04 0.15 -0.06 0.58 0.00 0.00 0.00 178.15 178.86 1p81 h VAL 524 N 0.02 0.69 -0.58 1.67 2.07 -0.74 -1.30 116.25 118.09 1p81 h VAL 524 Ca 0.04 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1p81 h VAL 524 Cb 0.19 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1p81 h VAL 524 CO -0.00 0.00 0.25 0.44 0.02 0.00 0.00 177.57 178.28 1p81 h ASP 525 N 0.03 0.75 0.33 0.57 3.45 -0.74 0.20 116.42 121.00 1p81 h ASP 525 Ca 0.16 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 1p81 h ASP 525 Cb 0.24 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1p81 h ASP 525 CO -0.32 0.66 -0.16 1.23 -1.57 0.00 0.00 179.24 179.08 1p81 h GLY 526 N 0.93 -0.46 0.43 2.75 0.00 -0.13 -0.07 103.07 106.53 1p81 h GLY 526 Ca 0.20 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.79 1p81 h GLY 526 CO -0.02 -0.17 0.25 0.74 0.00 0.00 0.00 176.54 177.34 1p81 h PHE 527 N -0.67 0.44 -0.34 5.60 0.04 -1.19 -1.39 116.94 119.43 1p81 h PHE 527 Ca -0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1p81 h PHE 527 Cb 0.47 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1p81 h PHE 527 CO 0.00 0.13 0.15 0.77 -0.60 0.00 0.00 178.31 178.76 1p81 h SER 528 N 0.45 0.47 0.12 2.17 0.02 -0.74 -1.08 113.55 114.96 1p81 h SER 528 Ca 0.31 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1p81 h SER 528 Cb 0.35 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1p81 h SER 528 CO -0.29 0.49 -0.06 0.15 -1.14 0.00 0.00 176.83 175.99 1p81 h PHE 529 N 0.41 -0.15 -0.22 3.45 3.04 -0.78 -1.29 116.94 121.40 1p81 h PHE 529 Ca 0.12 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1p81 h PHE 529 Cb 0.16 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1p81 h PHE 529 CO -0.01 -0.07 0.11 0.93 -2.02 0.00 0.00 178.31 177.25 1p81 h GLU 530 N -0.19 0.32 0.00 1.11 4.39 -1.22 -2.58 114.58 116.41 1p81 h GLU 530 Ca -0.02 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1p81 h GLU 530 Cb 0.15 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1p81 h GLU 530 CO 0.03 0.33 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.01 1p81 h LEU 531 N 0.23 0.00 -1.76 1.33 3.38 -1.17 -1.39 115.31 115.93 1p81 h LEU 531 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1p81 h LEU 531 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1p81 h LEU 531 CO -0.01 0.13 -0.01 0.77 0.09 0.00 0.00 178.44 179.40 1p81 h SER 532 N 0.00 0.00 0.02 -0.43 4.64 -0.82 -2.01 113.55 114.94 1p81 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p81 h SER 532 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1p81 h SER 532 CO 0.02 0.01 -0.04 0.29 -0.87 0.00 0.00 176.83 176.24 1p81 n LYS 533 N -3.12 1.62 -2.83 4.77 4.76 -0.53 -4.81 118.16 118.02 1p81 n LYS 533 Ca -0.00 -1.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.02 1p81 n LYS 533 Cb 0.26 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 1p81 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1p81 s VAL 534 N -2.07 4.81 0.08 -0.18 1.01 -0.76 -4.54 120.40 118.75 1p81 s VAL 534 Ca 0.35 1.71 -0.16 0.00 0.00 0.00 0.00 61.98 63.89 1p81 s VAL 534 Cb 0.21 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 1p81 s VAL 534 CO 0.36 -0.07 1.36 0.58 0.00 0.00 0.00 175.10 177.32 1p81 h VAL 535 N 5.36 1.32 -3.55 2.92 2.07 -1.87 -3.42 116.25 119.08 1p81 h VAL 535 Ca -0.24 -1.59 -0.58 0.00 0.82 0.00 0.00 66.70 65.11 1p81 h VAL 535 Cb 1.10 1.80 -0.08 0.00 -1.52 0.00 0.00 31.29 32.58 1p81 h VAL 535 CO 0.89 0.50 0.77 -0.13 0.02 0.00 0.00 177.57 179.62 1p81 s ARG 536 N -4.12 3.81 0.40 1.57 0.52 -1.26 -4.94 118.95 114.92 1p81 s ARG 536 Ca -0.12 0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.78 1p81 s ARG 536 Cb 0.08 -3.84 0.81 0.00 0.52 0.00 0.00 34.95 32.52 1p81 s ARG 536 CO 0.83 -1.13 2.03 -1.35 0.02 0.00 0.00 175.30 175.70 1p81 h PRO 537 N 8.74 0.55 0.00 3.54 0.11 -1.98 -2.31 132.00 140.65 1p81 h PRO 537 Ca -0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1p81 h PRO 537 Cb 1.07 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1p81 h PRO 537 CO 1.05 0.39 -0.19 0.10 -0.21 0.00 0.00 178.00 179.15 1p81 h TYR 538 N 0.56 0.00 -0.26 0.65 -0.00 -1.97 -1.26 116.97 114.70 1p81 h TYR 538 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.84 1p81 h TYR 538 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.71 1p81 h TYR 538 CO 0.00 0.19 0.01 0.82 -0.00 0.00 0.00 178.16 179.18 1p81 h ILE 539 N 0.00 1.25 -0.49 -0.90 2.04 -1.83 -0.69 117.51 116.89 1p81 h ILE 539 Ca -0.00 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.04 1p81 h ILE 539 Cb 0.34 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1p81 h ILE 539 CO 0.02 0.28 0.16 0.03 0.00 0.00 0.00 178.15 178.64 1p81 h ARG 540 N 0.23 0.31 -0.78 2.37 3.08 -1.29 -1.39 114.38 116.91 1p81 h ARG 540 Ca 0.07 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1p81 h ARG 540 Cb 0.40 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1p81 h ARG 540 CO 0.01 0.21 0.51 0.93 -1.07 0.00 0.00 179.97 180.56 1p81 h GLU 541 N 0.32 0.99 -0.71 0.04 5.08 -1.11 -0.22 114.58 118.98 1p81 h GLU 541 Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1p81 h GLU 541 Cb 0.27 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1p81 h GLU 541 CO -0.26 0.65 0.32 0.00 -1.00 0.00 0.00 179.01 178.72 1p81 h ARG 542 N 1.02 1.04 -0.46 2.33 3.08 -0.48 -0.48 114.38 120.43 1p81 h ARG 542 Ca 0.30 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 1p81 h ARG 542 Cb -0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1p81 h ARG 542 CO -0.08 0.84 -0.19 0.28 -1.07 0.00 0.00 179.97 179.75 1p81 h VAL 543 N 1.01 1.27 -0.88 2.04 2.07 -0.91 -2.05 116.25 118.80 1p81 h VAL 543 Ca 0.24 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1p81 h VAL 543 Cb 0.16 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1p81 h VAL 543 CO -0.03 0.45 0.46 0.58 0.02 0.00 0.00 177.57 179.06 1p81 h VAL 544 N 0.79 1.26 -0.82 2.57 2.07 -0.64 -0.10 116.25 121.38 1p81 h VAL 544 Ca 0.11 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1p81 h VAL 544 Cb 0.73 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1p81 h VAL 544 CO 0.06 0.30 0.52 -0.78 0.02 0.00 0.00 177.57 177.68 1p81 h ASP 545 N 1.24 0.84 -0.54 0.57 1.82 -0.86 -1.72 116.42 117.75 1p81 h ASP 545 Ca 0.31 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.90 1p81 h ASP 545 Cb 0.06 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 1p81 h ASP 545 CO -0.05 0.56 0.14 1.56 -1.61 0.00 0.00 179.24 179.84 1p81 h GLN 546 N 0.98 0.86 -0.21 0.28 1.08 -0.51 -2.55 115.11 115.04 1p81 h GLN 546 Ca 0.34 -0.20 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1p81 h GLN 546 Cb 0.07 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1p81 h GLN 546 CO -0.14 0.81 0.15 -0.07 -0.95 0.00 0.00 178.83 178.63 1p81 h LEU 547 N 0.76 0.15 -1.15 1.46 3.38 -0.30 -1.22 115.31 118.39 1p81 h LEU 547 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1p81 h LEU 547 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1p81 h LEU 547 CO 0.00 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1p81 h ALA 548 N 1.88 1.00 0.00 1.53 0.00 -0.90 -0.29 119.26 122.49 1p81 h ALA 548 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1p81 h ALA 548 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1p81 h ALA 548 CO -0.02 0.00 -0.38 0.72 0.00 0.00 0.00 179.25 179.58 1p81 n HIS 549 N -2.43 0.26 -0.09 0.00 8.25 -0.46 -4.25 115.22 116.50 1p81 n HIS 549 Ca 0.01 0.08 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 1p81 n HIS 549 Cb 0.18 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 30.75 1p81 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1p81 n ILE 550 N -1.76 1.48 -3.62 1.59 5.41 -0.21 -4.16 119.36 118.08 1p81 n ILE 550 Ca 0.05 0.07 -0.03 0.00 1.00 0.00 0.00 62.75 63.84 1p81 n ILE 550 Cb 0.38 -2.27 -0.05 0.00 -0.71 0.00 0.00 39.64 36.98 1p81 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p81 s ASP 551 N -6.16 -0.97 0.36 4.38 -1.08 -0.64 -4.59 116.67 107.97 1p81 s ASP 551 Ca -0.27 1.42 0.12 0.00 -0.52 0.00 0.00 52.55 53.31 1p81 s ASP 551 Cb 0.05 1.81 0.69 0.00 -1.46 0.00 0.00 42.92 44.01 1p81 s ASP 551 CO 0.39 -0.21 1.81 -0.07 0.52 0.00 0.00 175.17 177.61 1p81 h LEU 552 N 7.42 0.03 -0.26 -1.34 4.07 -1.80 -0.72 115.31 122.70 1p81 h LEU 552 Ca -0.23 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 1p81 h LEU 552 Cb 1.16 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1p81 h LEU 552 CO 0.13 0.40 0.01 0.74 -1.08 0.00 0.00 178.44 178.64 1p81 h THR 553 N 0.02 1.25 -0.26 0.22 2.02 -1.97 0.37 112.91 114.56 1p81 h THR 553 Ca -0.00 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1p81 h THR 553 Cb 0.68 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1p81 h THR 553 CO 0.05 0.28 0.13 0.25 0.37 0.00 0.00 175.52 176.59 1p81 h LEU 554 N 0.23 0.34 -0.61 2.58 5.85 -1.89 -0.68 115.31 121.14 1p81 h LEU 554 Ca 0.07 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1p81 h LEU 554 Cb 0.39 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1p81 h LEU 554 CO 0.01 0.37 0.39 0.00 -0.34 0.00 0.00 178.44 178.87 1p81 h ALA 555 N 0.98 0.78 -0.16 1.25 0.00 -0.88 -2.14 119.26 119.10 1p81 h ALA 555 Ca 0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1p81 h ALA 555 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1p81 h ALA 555 CO -0.01 0.24 -0.41 1.96 0.00 0.00 0.00 179.25 181.03 1p81 h GLN 556 N 0.83 0.36 -0.17 0.00 4.20 -0.81 -0.64 115.11 118.88 1p81 h GLN 556 Ca 0.22 -0.18 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 1p81 h GLN 556 Cb -0.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1p81 h GLN 556 CO -0.04 0.71 -0.58 0.00 -0.67 0.00 0.00 178.83 178.25 1p81 h ALA 557 N 1.27 0.66 -0.02 3.87 0.00 -0.66 -1.26 119.26 123.13 1p81 h ALA 557 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1p81 h ALA 557 Cb 0.85 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1p81 h ALA 557 CO 0.07 0.70 -0.02 0.28 0.00 0.00 0.00 179.25 180.28 1p81 h VAL 558 N 0.42 1.39 -0.68 0.00 2.07 -1.31 -2.99 116.25 115.15 1p81 h VAL 558 Ca 0.00 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.44 1p81 h VAL 558 Cb 1.13 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 1p81 h VAL 558 CO 0.11 0.31 0.33 0.00 0.02 0.00 0.00 177.57 178.34 1p81 h ALA 559 N 0.52 0.92 -0.80 1.67 0.00 -1.07 -1.46 119.26 119.05 1p81 h ALA 559 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1p81 h ALA 559 Cb 0.51 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1p81 h ALA 559 CO 0.00 -0.05 0.45 -0.22 0.00 0.00 0.00 179.25 179.43 1p81 h LYS 560 N 0.58 0.73 0.00 0.00 3.64 -1.22 -0.05 116.57 120.25 1p81 h LYS 560 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1p81 h LYS 560 Cb 0.32 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1p81 h LYS 560 CO -0.25 0.48 0.00 0.09 -2.27 0.00 0.00 179.45 177.50 1p81 n ASN 561 N -4.77 0.67 -0.89 4.20 3.02 -0.60 -2.23 115.26 114.66 1p81 n ASN 561 Ca 0.13 0.65 0.09 0.00 -0.03 0.00 0.00 54.58 55.42 1p81 n ASN 561 Cb 0.27 -0.80 0.16 0.00 -0.61 0.00 0.00 39.78 38.81 1p81 n ASN 561 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1p81 n LEU 562 N -2.22 3.02 -1.36 3.41 4.77 -0.43 -4.94 117.00 119.24 1p81 n LEU 562 Ca 0.03 -1.48 -0.14 0.00 -0.03 0.00 0.00 56.01 54.39 1p81 n LEU 562 Cb 0.26 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1p81 n LEU 562 CO 0.21 0.65 -0.16 0.61 -1.33 0.00 0.00 177.39 177.38 1p81 n GLY 563 N 1.11 0.49 3.78 -0.72 0.00 -0.59 -5.00 105.19 104.26 1p81 n GLY 563 Ca 0.15 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1p81 n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 564 N -2.61 4.75 -0.19 -0.61 1.01 -0.16 -5.02 121.20 118.37 1p81 s ILE 564 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1p81 s ILE 564 Cb 0.00 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1p81 s ILE 564 CO 0.00 0.41 -0.03 -0.70 0.00 0.00 0.00 174.94 174.62 1p81 s GLU 565 N -1.54 3.55 0.41 2.79 2.56 -1.26 -3.96 118.70 121.24 1p81 s GLU 565 Ca 0.21 -0.56 -0.25 0.00 0.00 0.00 0.00 54.97 54.36 1p81 s GLU 565 Cb -0.12 -2.98 -0.08 0.00 2.00 0.00 0.00 34.13 32.94 1p81 s GLU 565 CO 0.11 0.03 1.27 -0.51 -0.56 0.00 0.00 175.26 175.59 1p81 s LEU 566 N 0.93 4.18 0.99 2.70 1.43 -1.26 -5.03 118.68 122.62 1p81 s LEU 566 Ca 0.00 2.57 -0.15 0.00 -1.03 0.00 0.00 54.13 55.52 1p81 s LEU 566 Cb -0.15 -3.96 0.19 0.00 0.03 0.00 0.00 46.19 42.30 1p81 s LEU 566 CO 0.01 -0.84 1.20 0.42 0.23 0.00 0.00 176.35 177.37 1p81 s THR 567 N -1.31 1.91 0.24 5.49 -4.23 -1.26 -4.87 115.64 111.60 1p81 s THR 567 Ca 0.58 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 1p81 s THR 567 Cb -0.36 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 70.71 1p81 s THR 567 CO 0.46 0.00 1.65 0.44 -0.54 0.00 0.00 174.62 176.63 1p81 h ASP 568 N -1.75 0.66 -0.51 3.99 5.19 -1.98 -1.97 116.42 120.05 1p81 h ASP 568 Ca -0.47 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 55.68 1p81 h ASP 568 Cb 1.29 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1p81 h ASP 568 CO 0.47 0.90 0.22 0.44 -3.12 0.00 0.00 179.24 178.16 1p81 h ASP 569 N 0.56 0.68 -0.74 6.45 3.45 -1.97 -2.07 116.42 122.79 1p81 h ASP 569 Ca 0.07 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.35 1p81 h ASP 569 Cb 0.74 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.30 1p81 h ASP 569 CO 0.06 0.64 0.31 1.56 -1.57 0.00 0.00 179.24 180.25 1p81 h GLN 570 N 0.68 1.09 0.00 3.56 4.20 -1.89 -1.49 115.11 121.25 1p81 h GLN 570 Ca 0.17 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1p81 h GLN 570 Cb 0.16 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1p81 h GLN 570 CO -0.02 0.88 0.00 -0.07 -0.67 0.00 0.00 178.83 178.95 1p81 h LEU 571 N 1.05 0.00 -2.99 1.46 3.38 -1.05 -2.16 115.31 115.00 1p81 h LEU 571 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1p81 h LEU 571 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1p81 h LEU 571 CO -0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.10 1p81 n ASN 572 N -2.94 4.19 -4.71 -0.43 3.02 -0.60 -4.96 115.26 108.82 1p81 n ASN 572 Ca -0.00 -2.27 -0.42 0.00 -0.03 0.00 0.00 54.58 51.86 1p81 n ASN 572 Cb 0.22 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1p81 n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1p81 s ILE 573 N -1.51 3.46 0.15 2.41 1.01 -0.82 -4.97 121.20 120.94 1p81 s ILE 573 Ca 0.46 1.04 -0.31 0.00 0.00 0.00 0.00 60.65 61.84 1p81 s ILE 573 Cb 0.28 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 39.00 1p81 s ILE 573 CO 0.25 0.07 1.35 -0.89 0.00 0.00 0.00 174.94 175.73 1p81 s THR 574 N 1.19 3.27 0.73 2.92 2.01 -1.26 -4.96 115.64 119.55 1p81 s THR 574 Ca 0.64 0.97 -0.16 0.00 0.31 0.00 0.00 61.69 63.45 1p81 s THR 574 Cb -0.35 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.58 1p81 s THR 574 CO 0.30 0.11 1.25 -2.16 -0.69 0.00 0.00 174.62 173.42 1p81 s PRO 575 N 0.57 2.06 0.69 4.92 0.04 -1.26 -4.96 135.00 137.05 1p81 s PRO 575 Ca 0.61 1.91 -0.14 0.00 0.04 0.00 0.00 61.00 63.42 1p81 s PRO 575 Cb -0.37 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1p81 s PRO 575 CO 0.34 -1.93 1.11 -1.25 0.04 0.00 0.00 177.00 175.31 1p81 s PRO 576 N -3.77 2.63 0.86 0.56 0.04 -1.26 -4.99 135.00 129.07 1p81 s PRO 576 Ca 0.78 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1p81 s PRO 576 Cb -0.33 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.39 1p81 s PRO 576 CO 0.45 -1.38 1.18 -2.14 0.04 0.00 0.00 177.00 175.15 1p81 s PRO 577 N -4.26 1.31 0.73 0.56 0.02 -1.26 -4.92 135.00 127.18 1p81 s PRO 577 Ca 0.66 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 63.22 1p81 s PRO 577 Cb -0.20 -1.75 0.03 0.00 0.02 0.00 0.00 34.50 32.60 1p81 s PRO 577 CO 0.45 -2.44 1.11 -0.51 -0.33 0.00 0.00 177.00 175.28 1p81 s ASP 578 N -2.39 4.69 -0.58 2.53 -0.00 -1.26 -4.69 116.67 114.97 1p81 s ASP 578 Ca 0.70 1.94 -0.21 0.00 -0.00 0.00 0.00 52.55 54.98 1p81 s ASP 578 Cb -0.26 -2.54 0.06 0.00 -0.00 0.00 0.00 42.92 40.18 1p81 s ASP 578 CO 0.54 -1.91 0.82 -0.69 -0.00 0.00 0.00 175.17 173.93 1p81 s VAL 579 N -2.60 4.58 -1.42 -1.27 1.01 -1.22 -4.27 120.40 115.20 1p81 s VAL 579 Ca 0.65 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1p81 s VAL 579 Cb -0.19 -4.50 0.04 0.00 0.00 0.00 0.00 36.38 31.72 1p81 s VAL 579 CO 0.49 -1.13 0.79 0.59 0.00 0.00 0.00 175.10 175.84 1p81 n ASN 580 N 6.99 -2.61 0.00 3.32 4.13 -1.26 -1.08 115.26 124.75 1p81 n ASN 580 Ca -0.04 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.39 1p81 n ASN 580 Cb 0.45 -3.83 0.00 0.00 -1.54 0.00 0.00 39.78 34.87 1p81 n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p81 n GLY 581 N -1.66 2.05 3.71 7.41 0.00 -1.26 -5.02 105.19 110.41 1p81 n GLY 581 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1p81 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p81 s LEU 582 N 0.00 4.35 0.00 0.99 1.43 -0.24 -4.91 118.68 120.29 1p81 s LEU 582 Ca 0.00 1.67 0.23 0.00 -1.03 0.00 0.00 54.13 55.00 1p81 s LEU 582 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.68 1p81 s LEU 582 CO 0.00 -0.32 1.12 0.29 0.23 0.00 0.00 176.35 177.67 1p81 n LYS 583 N 4.13 1.41 0.00 1.70 5.02 -1.26 -3.44 118.16 125.71 1p81 n LYS 583 Ca 0.07 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 1p81 n LYS 583 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1p81 n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p81 n LYS 584 N 0.22 0.00 -3.34 1.97 2.85 -1.26 -4.74 118.16 113.86 1p81 n LYS 584 Ca 0.10 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.27 1p81 n LYS 584 Cb 0.49 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.80 1p81 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p81 s ASP 585 N 0.00 0.37 0.62 -5.58 3.68 -1.26 -5.01 116.67 109.49 1p81 s ASP 585 Ca 0.00 -0.01 0.35 0.00 2.13 0.00 0.00 52.55 55.02 1p81 s ASP 585 Cb 0.00 1.08 1.99 0.00 -1.45 0.00 0.00 42.92 44.54 1p81 s ASP 585 CO 0.00 -0.32 2.24 -0.65 0.13 0.00 0.00 175.17 176.57 1p81 h PRO 586 N 8.18 0.00 0.00 4.34 0.11 -1.98 -1.99 132.00 140.67 1p81 h PRO 586 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1p81 h PRO 586 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1p81 h PRO 586 CO 0.27 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.93 1p81 n SER 587 N -3.50 0.00 0.02 -2.05 3.41 -1.26 -2.19 113.62 108.05 1p81 n SER 587 Ca -0.02 0.20 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1p81 n SER 587 Cb 0.15 -0.34 0.36 0.00 -0.26 0.00 0.00 64.21 64.12 1p81 n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p81 n LEU 588 N -1.34 0.42 -4.87 1.04 4.77 -0.75 -4.86 117.00 111.42 1p81 n LEU 588 Ca 0.05 0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.96 1p81 n LEU 588 Cb 0.12 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1p81 n LEU 588 CO 0.11 0.01 0.12 -0.55 -1.33 0.00 0.00 177.39 175.75 1p81 s SER 589 N -3.43 6.67 0.14 -1.43 0.15 -0.93 -4.91 113.70 109.96 1p81 s SER 589 Ca 0.11 0.84 -0.08 0.00 0.70 0.00 0.00 55.95 57.53 1p81 s SER 589 Cb 0.17 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1p81 s SER 589 CO 0.64 0.13 1.39 -0.07 1.20 0.00 0.00 173.24 176.53 1p81 h LEU 590 N 3.51 0.76 0.00 3.45 3.38 -1.89 -3.40 115.31 121.12 1p81 h LEU 590 Ca -0.49 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1p81 h LEU 590 Cb 1.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1p81 h LEU 590 CO 0.67 1.24 -0.31 -1.22 0.09 0.00 0.00 178.44 178.90 1p81 n TYR 591 N -3.92 0.00 -0.20 1.13 4.01 -1.26 -4.74 117.16 112.17 1p81 n TYR 591 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1p81 n TYR 591 Cb 0.70 -0.01 0.11 0.00 -0.31 0.00 0.00 39.34 39.82 1p81 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p81 h ALA 592 N 0.45 0.77 -2.79 -0.72 0.00 -1.87 -3.34 119.26 111.76 1p81 h ALA 592 Ca 0.00 0.09 -0.71 0.00 0.00 0.00 0.00 54.91 54.29 1p81 h ALA 592 Cb 0.09 0.07 -0.24 0.00 0.00 0.00 0.00 17.79 17.71 1p81 h ALA 592 CO 0.00 -0.21 -0.51 0.42 0.00 0.00 0.00 179.25 178.95 1p81 s ILE 593 N -6.10 4.61 0.08 0.00 1.01 -1.26 -5.06 121.20 114.49 1p81 s ILE 593 Ca -0.13 -0.86 -0.36 0.00 0.00 0.00 0.00 60.65 59.29 1p81 s ILE 593 Cb 0.17 -3.58 -0.17 0.00 0.01 0.00 0.00 42.46 38.88 1p81 s ILE 593 CO 0.74 -0.25 1.20 -2.65 0.00 0.00 0.00 174.94 173.98 1p81 n PRO 594 N 5.01 0.79 -1.15 2.79 -0.02 -1.26 -4.89 135.00 136.28 1p81 n PRO 594 Ca -0.12 0.28 -0.02 0.00 -2.02 0.00 0.00 63.50 61.63 1p81 n PRO 594 Cb 0.46 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1p81 n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1p81 n ASP 595 N 2.12 -0.12 -4.76 2.55 3.85 -1.26 -5.13 116.55 113.80 1p81 n ASP 595 Ca 0.18 -1.95 -0.39 0.00 -0.71 0.00 0.00 54.79 51.93 1p81 n ASP 595 Cb 0.17 0.03 0.01 0.00 -1.35 0.00 0.00 41.12 39.98 1p81 n ASP 595 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1p81 s GLY 596 N -1.34 2.89 -0.14 6.12 0.00 -1.25 -4.16 107.32 109.44 1p81 s GLY 596 Ca 0.13 1.23 -0.04 0.00 0.00 0.00 0.00 44.72 46.04 1p81 s GLY 596 CO -0.07 1.77 0.21 -0.35 0.00 0.00 0.00 173.10 174.67 1p81 s ASP 597 N -0.88 0.90 0.12 1.64 3.68 -1.26 -4.97 116.67 115.90 1p81 s ASP 597 Ca 0.62 0.19 0.25 0.00 2.13 0.00 0.00 52.55 55.73 1p81 s ASP 597 Cb -0.37 0.43 0.44 0.00 -1.45 0.00 0.00 42.92 41.97 1p81 s ASP 597 CO 0.47 -0.28 1.41 1.33 0.13 0.00 0.00 175.17 178.23 1p81 n VAL 598 N 5.33 0.36 -1.72 1.11 0.24 -1.26 -4.83 118.33 117.56 1p81 n VAL 598 Ca -0.05 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 1p81 n VAL 598 Cb 0.50 -0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1p81 n VAL 598 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1p81 n LYS 599 N -2.08 2.77 0.00 7.34 4.81 -1.24 -1.49 118.16 128.26 1p81 n LYS 599 Ca 0.04 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1p81 n LYS 599 Cb 0.43 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1p81 n LYS 599 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p81 n GLY 600 N 3.71 1.68 3.68 3.14 0.00 -0.07 -4.98 105.19 112.34 1p81 n GLY 600 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1p81 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p81 s ARG 601 N -0.61 0.08 0.01 1.61 1.81 -0.55 -4.79 118.95 116.49 1p81 s ARG 601 Ca 0.00 0.26 0.00 0.00 -1.72 0.00 0.00 55.73 54.28 1p81 s ARG 601 Cb 0.00 -1.72 -0.01 0.00 -0.45 0.00 0.00 34.95 32.78 1p81 s ARG 601 CO 0.00 -2.91 -0.02 0.54 -0.68 0.00 0.00 175.30 172.23 1p81 s VAL 602 N -3.08 0.11 0.02 3.52 0.11 -1.26 -1.23 120.40 118.59 1p81 s VAL 602 Ca 0.67 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 59.50 1p81 s VAL 602 Cb -0.15 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1p81 s VAL 602 CO 0.56 -0.11 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.36 1p81 s VAL 603 N -0.40 2.84 -0.06 2.04 1.01 0.10 -0.24 120.40 125.70 1p81 s VAL 603 Ca -0.04 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1p81 s VAL 603 Cb -0.03 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1p81 s VAL 603 CO -0.00 0.41 0.47 0.00 0.00 0.00 0.00 175.10 175.98 1p81 s ALA 604 N -0.87 3.55 -0.25 5.51 0.00 -0.32 -0.86 121.76 128.52 1p81 s ALA 604 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 1p81 s ALA 604 Cb -0.11 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.47 1p81 s ALA 604 CO 0.04 0.18 -0.08 0.42 0.00 0.00 0.00 175.76 176.32 1p81 s ILE 605 N -0.08 2.63 -0.58 0.00 1.01 0.04 -0.36 121.20 123.86 1p81 s ILE 605 Ca 0.26 -1.21 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 1p81 s ILE 605 Cb -0.16 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1p81 s ILE 605 CO 0.12 0.14 1.02 -0.76 0.00 0.00 0.00 174.94 175.47 1p81 s LEU 606 N 1.26 3.93 0.80 2.97 1.43 -0.83 -1.05 118.68 127.19 1p81 s LEU 606 Ca -0.02 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1p81 s LEU 606 Cb -0.17 -2.83 0.07 0.00 0.03 0.00 0.00 46.19 43.29 1p81 s LEU 606 CO -0.05 -1.35 1.15 -0.76 0.23 0.00 0.00 176.35 175.57 1p81 s LEU 607 N 4.30 2.54 0.32 1.79 1.43 0.24 -4.30 118.68 125.00 1p81 s LEU 607 Ca 0.32 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.36 1p81 s LEU 607 Cb -0.12 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1p81 s LEU 607 CO 0.19 -1.85 0.13 0.54 0.23 0.00 0.00 176.35 175.59 1p81 s ASN 608 N -4.44 1.80 0.00 2.29 2.20 -1.26 -4.83 114.94 110.71 1p81 s ASN 608 Ca 0.61 -1.53 0.16 0.00 -0.94 0.00 0.00 52.86 51.16 1p81 s ASN 608 Cb -0.12 0.32 0.94 0.00 -2.00 0.00 0.00 41.25 40.39 1p81 s ASN 608 CO 0.50 -0.84 1.53 -0.90 -2.94 0.00 0.00 177.10 174.45 1p81 n ASP 609 N -0.91 0.00 -2.95 3.54 3.85 -1.26 -3.74 116.55 115.08 1p81 n ASP 609 Ca -0.01 -1.31 -0.13 0.00 -0.71 0.00 0.00 54.79 52.63 1p81 n ASP 609 Cb 0.65 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.45 1p81 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1p81 n GLU 610 N -0.77 1.00 -1.70 0.11 4.07 -1.26 -4.37 120.64 117.71 1p81 n GLU 610 Ca 0.12 -2.65 -0.42 0.00 -0.06 0.00 0.00 57.16 54.14 1p81 n GLU 610 Cb 0.05 -1.35 -0.00 0.00 -0.06 0.00 0.00 31.44 30.08 1p81 n GLU 610 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1p81 n VAL 611 N 0.31 2.15 -2.57 6.31 0.31 -1.25 -2.85 118.33 120.73 1p81 n VAL 611 Ca 0.15 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.57 1p81 n VAL 611 Cb 0.68 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.01 1p81 n VAL 611 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1p81 s ARG 612 N -1.98 3.34 0.45 5.55 3.52 -0.58 -0.68 118.95 128.58 1p81 s ARG 612 Ca 0.57 -0.03 0.16 0.00 -0.13 0.00 0.00 55.73 56.31 1p81 s ARG 612 Cb -0.55 -4.10 1.11 0.00 -1.56 0.00 0.00 34.95 29.85 1p81 s ARG 612 CO 0.61 -1.92 1.97 0.66 -0.81 0.00 0.00 175.30 175.81 1p81 h SER 613 N 9.79 0.29 -0.20 -2.12 4.64 -1.90 -0.01 113.55 124.04 1p81 h SER 613 Ca -0.27 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1p81 h SER 613 Cb 1.05 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 1p81 h SER 613 CO 1.23 0.17 -0.06 0.00 -0.87 0.00 0.00 176.83 177.30 1p81 h ALA 614 N 1.70 1.29 -0.19 5.18 0.00 -1.99 -0.00 119.26 125.24 1p81 h ALA 614 Ca 0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1p81 h ALA 614 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1p81 h ALA 614 CO -0.07 0.48 -0.08 -0.44 0.00 0.00 0.00 179.25 179.14 1p81 h ASP 615 N 0.50 0.40 -0.80 0.00 3.45 -1.30 -2.87 116.42 115.81 1p81 h ASP 615 Ca 0.10 -0.40 -0.04 0.00 0.43 0.00 0.00 57.03 57.13 1p81 h ASP 615 Cb 0.42 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 39.04 1p81 h ASP 615 CO 0.02 0.71 0.36 0.25 -1.57 0.00 0.00 179.24 179.01 1p81 h LEU 616 N 0.09 1.07 0.02 1.55 5.85 -1.09 -0.22 115.31 122.58 1p81 h LEU 616 Ca 0.05 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1p81 h LEU 616 Cb 0.55 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1p81 h LEU 616 CO 0.03 0.93 -0.14 0.25 -0.34 0.00 0.00 178.44 179.16 1p81 h LEU 617 N 1.15 -0.41 -0.93 2.25 5.85 -1.04 0.10 115.31 122.27 1p81 h LEU 617 Ca 0.27 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 1p81 h LEU 617 Cb 0.16 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1p81 h LEU 617 CO -0.03 -0.20 -0.07 0.00 -0.34 0.00 0.00 178.44 177.80 1p81 h ALA 618 N 0.68 1.11 0.50 1.25 0.00 -1.21 -1.57 119.26 120.01 1p81 h ALA 618 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1p81 h ALA 618 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p81 h ALA 618 CO -0.13 0.56 -0.24 0.82 0.00 0.00 0.00 179.25 180.26 1p81 h ILE 619 N 0.66 0.50 -0.66 0.00 2.04 -0.47 -2.74 117.51 116.83 1p81 h ILE 619 Ca 0.12 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1p81 h ILE 619 Cb 0.50 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1p81 h ILE 619 CO 0.03 0.03 0.27 -0.07 0.00 0.00 0.00 178.15 178.41 1p81 h LEU 620 N -0.76 0.88 -0.30 1.44 3.38 -0.92 -1.31 115.31 117.72 1p81 h LEU 620 Ca -0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1p81 h LEU 620 Cb 0.55 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1p81 h LEU 620 CO 0.11 0.78 0.13 0.50 0.09 0.00 0.00 178.44 180.05 1p81 h LYS 621 N 0.95 0.44 -0.42 1.13 3.64 -1.32 0.24 116.57 121.24 1p81 h LYS 621 Ca 0.22 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1p81 h LYS 621 Cb 0.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1p81 h LYS 621 CO -0.02 0.44 -0.23 0.00 -2.27 0.00 0.00 179.45 177.36 1p81 h ALA 622 N 0.98 0.59 -0.82 5.00 0.00 -1.16 -2.01 119.26 121.85 1p81 h ALA 622 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1p81 h ALA 622 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1p81 h ALA 622 CO -0.01 0.59 0.51 -0.07 0.00 0.00 0.00 179.25 180.27 1p81 h LEU 623 N 0.72 0.97 -0.79 0.00 3.38 -1.13 -3.00 115.31 115.46 1p81 h LEU 623 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1p81 h LEU 623 Cb 0.81 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1p81 h LEU 623 CO 0.07 0.73 0.37 0.50 0.09 0.00 0.00 178.44 180.20 1p81 h LYS 624 N 1.12 1.14 0.00 1.13 3.64 -0.81 -0.79 116.57 121.99 1p81 h LYS 624 Ca 0.30 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1p81 h LYS 624 Cb -0.07 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1p81 h LYS 624 CO -0.06 0.88 -0.06 0.00 -2.27 0.00 0.00 179.45 177.95 1p81 h ALA 625 N 1.19 1.58 -0.43 5.00 0.00 -1.22 -2.37 119.26 123.01 1p81 h ALA 625 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1p81 h ALA 625 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p81 h ALA 625 CO -0.03 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.92 1p81 n LYS 626 N -4.00 2.94 -2.19 0.00 4.76 -0.77 -4.98 118.16 113.92 1p81 n LYS 626 Ca -0.03 -2.33 -0.13 0.00 -2.87 0.00 0.00 58.31 52.95 1p81 n LYS 626 Cb 0.15 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 1p81 n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p81 n GLY 627 N 0.65 -0.06 3.80 0.72 0.00 -0.79 -3.70 105.19 105.81 1p81 n GLY 627 Ca 0.16 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1p81 n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p81 s VAL 628 N -2.65 5.28 0.51 1.61 1.01 -0.37 -0.89 120.40 124.89 1p81 s VAL 628 Ca 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 1p81 s VAL 628 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1p81 s VAL 628 CO 0.00 0.50 0.74 -1.00 0.00 0.00 0.00 175.10 175.34 1p81 s HIS 629 N -0.35 3.09 0.08 5.22 3.76 -0.37 -4.20 115.29 122.53 1p81 s HIS 629 Ca 0.18 0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.33 1p81 s HIS 629 Cb -0.14 -2.53 -0.03 0.00 1.11 0.00 0.00 32.58 30.99 1p81 s HIS 629 CO 0.06 -0.61 -0.10 0.00 -0.85 0.00 0.00 174.74 173.24 1p81 s ALA 630 N -2.69 1.02 -0.14 -1.40 0.00 -1.26 -0.72 121.76 116.57 1p81 s ALA 630 Ca 0.52 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1p81 s ALA 630 Cb -0.10 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1p81 s ALA 630 CO 0.39 -0.02 -0.12 -1.59 0.00 0.00 0.00 175.76 174.43 1p81 s LYS 631 N -2.50 2.00 -0.32 0.00 -2.85 -0.04 -4.90 119.74 111.13 1p81 s LYS 631 Ca 0.02 -0.46 -0.26 0.00 -1.00 0.00 0.00 55.97 54.27 1p81 s LYS 631 Cb -0.05 -1.94 0.01 0.00 -2.06 0.00 0.00 37.83 33.80 1p81 s LYS 631 CO 0.00 -0.26 0.92 -0.51 0.10 0.00 0.00 175.35 175.60 1p81 s LEU 632 N 1.56 4.02 0.14 2.77 1.43 -1.26 -0.78 118.68 126.57 1p81 s LEU 632 Ca 0.05 0.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.04 1p81 s LEU 632 Cb -0.13 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1p81 s LEU 632 CO -0.10 -0.74 -0.14 -0.76 0.23 0.00 0.00 176.35 174.84 1p81 s LEU 633 N 3.28 2.85 0.00 1.79 1.43 -0.21 -1.09 118.68 126.73 1p81 s LEU 633 Ca 0.38 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1p81 s LEU 633 Cb -0.13 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1p81 s LEU 633 CO 0.14 0.15 0.58 0.00 0.23 0.00 0.00 176.35 177.45 1p81 n TYR 634 N 0.47 -1.75 1.53 0.29 9.36 -1.05 -0.59 117.16 125.41 1p81 n TYR 634 Ca -0.13 -2.10 0.14 0.00 3.32 0.00 0.00 57.90 59.13 1p81 n TYR 634 Cb 0.54 0.67 0.61 0.00 -0.63 0.00 0.00 39.34 40.53 1p81 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p81 n SER 635 N -1.59 0.83 -3.94 2.98 3.41 -1.26 -1.98 113.62 112.06 1p81 n SER 635 Ca -0.03 -1.03 -0.09 0.00 -0.26 0.00 0.00 58.87 57.46 1p81 n SER 635 Cb 0.57 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1p81 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 s ARG 636 N -2.22 1.59 0.23 4.33 1.70 -1.26 -4.91 118.95 118.41 1p81 s ARG 636 Ca 0.35 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.35 1p81 s ARG 636 Cb 0.21 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 35.11 1p81 s ARG 636 CO 0.41 -0.67 0.31 -1.33 -1.08 0.00 0.00 175.30 172.95 1p81 n MET 637 N -0.40 0.45 0.00 3.89 2.81 -1.26 -4.72 117.12 117.88 1p81 n MET 637 Ca -0.02 -0.88 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 1p81 n MET 637 Cb 0.62 -0.20 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 1p81 n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p81 n GLY 638 N 2.57 0.92 3.15 3.03 0.00 -1.26 -4.95 105.19 108.65 1p81 n GLY 638 Ca 0.05 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 1p81 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p81 s GLU 639 N 0.00 0.80 0.08 1.61 2.02 -1.26 -0.94 118.70 121.01 1p81 s GLU 639 Ca 0.00 -1.33 0.04 0.00 0.02 0.00 0.00 54.97 53.70 1p81 s GLU 639 Cb 0.00 -0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 1p81 s GLU 639 CO 0.00 -0.08 -0.11 0.14 0.02 0.00 0.00 175.26 175.24 1p81 s VAL 640 N -3.75 0.92 -0.16 2.63 -7.23 -0.82 -4.98 120.40 107.01 1p81 s VAL 640 Ca 0.13 -1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1p81 s VAL 640 Cb 0.06 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1p81 s VAL 640 CO -0.05 -0.47 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.27 1p81 s THR 641 N -2.05 3.01 1.15 5.32 2.01 -1.26 -0.96 115.64 122.86 1p81 s THR 641 Ca 0.02 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1p81 s THR 641 Cb -0.05 -2.30 0.26 0.00 0.01 0.00 0.00 72.50 70.42 1p81 s THR 641 CO 0.01 0.50 1.10 0.00 -0.69 0.00 0.00 174.62 175.53 1p81 s ALA 642 N 0.78 0.64 0.57 7.40 0.00 0.05 -4.24 121.76 126.97 1p81 s ALA 642 Ca -0.04 -0.76 0.41 0.00 0.00 0.00 0.00 51.96 51.56 1p81 s ALA 642 Cb -0.15 -2.96 2.17 0.00 0.00 0.00 0.00 23.12 22.18 1p81 s ALA 642 CO 0.01 -3.41 2.30 0.38 0.00 0.00 0.00 175.76 175.04 1p81 h ASP 643 N -2.41 0.00 -0.53 0.00 3.04 -1.12 -1.88 116.42 113.53 1p81 h ASP 643 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 1p81 h ASP 643 Cb 1.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1p81 h ASP 643 CO 0.42 0.01 0.00 -0.90 -2.04 0.00 0.00 179.24 176.72 1p81 n ASP 644 N -3.21 4.09 0.00 4.15 3.85 -1.26 -4.94 116.55 119.22 1p81 n ASP 644 Ca -0.02 -2.36 0.00 0.00 -0.71 0.00 0.00 54.79 51.70 1p81 n ASP 644 Cb 0.11 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.40 1p81 n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p81 n GLY 645 N 0.82 0.81 3.71 6.12 0.00 -0.70 -5.03 105.19 110.91 1p81 n GLY 645 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1p81 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p81 s THR 646 N -3.19 3.01 -0.20 2.61 2.01 -1.26 -4.72 115.64 113.90 1p81 s THR 646 Ca 0.00 0.63 -0.21 0.00 0.31 0.00 0.00 61.69 62.41 1p81 s THR 646 Cb 0.00 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 1p81 s THR 646 CO 0.00 0.03 0.66 -0.69 -0.69 0.00 0.00 174.62 173.93 1p81 s VAL 647 N 1.72 5.00 -0.31 3.82 1.01 -1.26 -0.77 120.40 129.61 1p81 s VAL 647 Ca 0.69 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 1p81 s VAL 647 Cb -0.40 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.05 1p81 s VAL 647 CO 0.31 0.09 0.05 -0.76 0.00 0.00 0.00 175.10 174.79 1p81 s LEU 648 N 2.00 4.02 0.37 3.92 1.43 -0.13 -4.98 118.68 125.30 1p81 s LEU 648 Ca 0.30 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.04 1p81 s LEU 648 Cb -0.16 -1.81 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 1p81 s LEU 648 CO 0.10 -0.27 1.18 -2.16 0.23 0.00 0.00 176.35 175.43 1p81 s PRO 649 N 1.37 4.21 -0.17 1.29 0.04 -1.26 -1.94 135.00 138.54 1p81 s PRO 649 Ca -0.02 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 1p81 s PRO 649 Cb -0.19 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1p81 s PRO 649 CO 0.01 -0.20 0.50 0.42 0.04 0.00 0.00 177.00 177.77 1p81 s ILE 650 N -1.33 5.14 0.10 0.56 1.01 -0.11 -4.83 121.20 121.75 1p81 s ILE 650 Ca 0.53 0.94 -0.12 0.00 0.00 0.00 0.00 60.65 62.01 1p81 s ILE 650 Cb -0.32 -3.83 -0.16 0.00 0.01 0.00 0.00 42.46 38.16 1p81 s ILE 650 CO 0.41 0.24 1.30 0.00 0.00 0.00 0.00 174.94 176.89 1p81 h ALA 651 N 7.15 0.30 -2.01 9.38 0.00 -1.45 -3.41 119.26 129.22 1p81 h ALA 651 Ca -0.37 -0.61 0.22 0.00 0.00 0.00 0.00 54.91 54.15 1p81 h ALA 651 Cb 1.16 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 1p81 h ALA 651 CO 0.75 0.69 0.61 0.00 0.00 0.00 0.00 179.25 181.29 1p81 s ALA 652 N -3.71 -1.87 0.57 0.00 0.00 -1.23 -5.05 121.76 110.48 1p81 s ALA 652 Ca -0.10 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 1p81 s ALA 652 Cb 0.09 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1p81 s ALA 652 CO 0.91 -0.96 0.88 0.95 0.00 0.00 0.00 175.76 177.54 1p81 s THR 653 N -2.95 3.80 0.23 0.00 -4.23 -1.26 -2.52 115.64 108.71 1p81 s THR 653 Ca 0.11 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1p81 s THR 653 Cb 0.00 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.54 1p81 s THR 653 CO -0.02 -0.51 1.76 -0.26 -0.54 0.00 0.00 174.62 175.05 1p81 h PHE 654 N -0.12 0.59 -0.01 3.99 0.05 -1.72 -1.42 116.94 118.31 1p81 h PHE 654 Ca -0.46 0.03 -0.17 0.00 3.82 0.00 0.00 57.97 61.19 1p81 h PHE 654 Cb 1.25 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 39.03 1p81 h PHE 654 CO 0.48 0.16 -0.79 0.00 -0.18 0.00 0.00 178.31 177.98 1p81 h ALA 655 N 1.48 0.66 0.00 2.45 0.00 -1.90 -3.31 119.26 118.64 1p81 h ALA 655 Ca 0.38 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1p81 h ALA 655 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1p81 h ALA 655 CO -0.33 0.91 -0.50 0.78 0.00 0.00 0.00 179.25 180.12 1p81 h GLY 656 N 1.99 0.00 -6.47 0.00 0.00 -1.68 -3.35 103.07 93.56 1p81 h GLY 656 Ca -0.02 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.71 1p81 h GLY 656 CO 0.11 0.00 -0.89 0.00 0.00 0.00 0.00 176.54 175.77 1p81 n ALA 657 N -2.37 2.99 -0.65 3.60 0.00 -0.63 -4.87 120.51 118.60 1p81 n ALA 657 Ca -0.01 -3.54 -0.31 0.00 0.00 0.00 0.00 53.44 49.59 1p81 n ALA 657 Cb 0.56 -0.83 0.18 0.00 0.00 0.00 0.00 19.45 19.36 1p81 n ALA 657 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1p81 n PRO 658 N 2.36 -1.00 0.33 0.00 -0.04 -1.24 -4.83 135.00 130.57 1p81 n PRO 658 Ca 0.27 -0.24 0.21 0.00 -0.04 0.00 0.00 63.50 63.69 1p81 n PRO 658 Cb 0.45 -2.19 1.13 0.00 -0.04 0.00 0.00 33.50 32.86 1p81 n PRO 658 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p81 h SER 659 N -2.05 0.00 -0.73 3.54 4.64 -1.84 -1.58 113.55 115.53 1p81 h SER 659 Ca -0.48 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.04 1p81 h SER 659 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1p81 h SER 659 CO 0.41 0.00 0.52 -0.07 -0.87 0.00 0.00 176.83 176.82 1p81 h LEU 660 N 0.00 0.07 -0.19 5.97 3.38 -1.94 -2.10 115.31 120.50 1p81 h LEU 660 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1p81 h LEU 660 Cb 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1p81 h LEU 660 CO -0.00 0.03 -0.19 0.35 0.09 0.00 0.00 178.44 178.73 1p81 n THR 661 N -4.36 0.00 -4.63 0.22 -2.24 -0.60 -4.91 114.28 97.77 1p81 n THR 661 Ca 0.14 -0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.59 1p81 n THR 661 Cb 0.75 -0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.85 1p81 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p81 s VAL 662 N -2.66 1.91 -0.29 2.28 -7.23 -0.79 -4.95 120.40 108.67 1p81 s VAL 662 Ca 0.23 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.62 1p81 s VAL 662 Cb 0.19 -2.93 -0.26 0.00 0.56 0.00 0.00 36.38 33.95 1p81 s VAL 662 CO 0.53 0.00 0.68 0.47 -0.31 0.00 0.00 175.10 176.47 1p81 n ASP 663 N -0.99 0.33 -3.58 4.85 9.92 0.66 -5.00 116.55 122.74 1p81 n ASP 663 Ca -0.06 -0.16 -0.07 0.00 -0.53 0.00 0.00 54.79 53.96 1p81 n ASP 663 Cb 0.67 1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 42.66 1p81 n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p81 s ALA 664 N -3.38 -1.73 -0.05 2.24 0.00 -1.22 -4.24 121.76 113.39 1p81 s ALA 664 Ca -0.03 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1p81 s ALA 664 Cb 0.14 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1p81 s ALA 664 CO 0.88 -0.81 -0.14 0.08 0.00 0.00 0.00 175.76 175.76 1p81 s VAL 665 N -3.27 1.21 -0.07 0.00 1.01 -0.90 -1.18 120.40 117.21 1p81 s VAL 665 Ca 0.07 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1p81 s VAL 665 Cb -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1p81 s VAL 665 CO -0.06 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.59 1p81 s ILE 666 N 0.29 1.57 -0.27 2.22 1.01 0.51 -1.09 121.20 125.44 1p81 s ILE 666 Ca -0.08 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1p81 s ILE 666 Cb -0.13 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 41.04 1p81 s ILE 666 CO 0.03 0.45 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 1p81 s VAL 667 N 0.29 2.19 0.78 2.92 1.01 0.16 -1.95 120.40 125.79 1p81 s VAL 667 Ca -0.11 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 59.99 1p81 s VAL 667 Cb -0.15 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 33.94 1p81 s VAL 667 CO 0.05 -0.13 1.09 -2.16 0.00 0.00 0.00 175.10 173.94 1p81 s PRO 668 N 1.07 2.22 0.16 2.72 0.04 -1.26 -1.63 135.00 138.31 1p81 s PRO 668 Ca -0.05 0.79 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 1p81 s PRO 668 Cb -0.20 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1p81 s PRO 668 CO -0.06 -1.56 0.21 0.00 0.04 0.00 0.00 177.00 175.64 1p81 n GLY 670 N 3.60 0.54 3.40 0.00 0.00 -1.26 -1.52 105.19 109.94 1p81 n GLY 670 Ca 0.03 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 1p81 n GLY 670 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p81 n ASN 671 N 0.00 5.29 0.04 1.61 5.15 -1.13 -4.85 115.26 121.38 1p81 n ASN 671 Ca 0.00 -3.00 0.04 0.00 -0.60 0.00 0.00 54.58 51.01 1p81 n ASN 671 Cb 0.00 -1.53 0.42 0.00 -0.53 0.00 0.00 39.78 38.15 1p81 n ASN 671 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1p81 h ILE 672 N 4.39 1.12 -1.15 -1.44 1.08 -1.93 -2.36 117.51 117.21 1p81 h ILE 672 Ca 0.30 -0.35 0.33 0.00 -0.39 0.00 0.00 64.86 64.75 1p81 h ILE 672 Cb 0.85 0.72 -0.09 0.00 -3.07 0.00 0.00 36.82 35.24 1p81 h ILE 672 CO 1.23 0.14 0.77 0.00 -0.69 0.00 0.00 178.15 179.60 1p81 h ALA 673 N 1.72 2.60 -0.90 1.87 0.00 -1.97 0.18 119.26 122.76 1p81 h ALA 673 Ca 0.11 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1p81 h ALA 673 Cb 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1p81 h ALA 673 CO -0.01 -1.03 0.55 0.22 0.00 0.00 0.00 179.25 178.97 1p81 h ASP 674 N 0.22 0.81 -0.01 0.00 -0.00 -1.85 -3.23 116.42 112.37 1p81 h ASP 674 Ca 0.64 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.71 1p81 h ASP 674 Cb 1.96 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 41.17 1p81 h ASP 674 CO -0.24 0.46 -0.09 2.30 -0.00 0.00 0.00 179.24 181.67 1p81 n ILE 675 N -4.67 0.00 -0.24 2.25 -5.35 0.09 -4.73 119.36 106.71 1p81 n ILE 675 Ca 0.15 -0.45 0.08 0.00 -0.27 0.00 0.00 62.75 62.26 1p81 n ILE 675 Cb 0.28 1.10 0.34 0.00 -1.74 0.00 0.00 39.64 39.62 1p81 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p81 h ALA 676 N 1.21 1.71 -0.57 -1.28 0.00 -0.77 -0.80 119.26 118.76 1p81 h ALA 676 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p81 h ALA 676 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1p81 h ALA 676 CO 0.00 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1p81 n ASP 677 N -4.51 4.60 -4.67 0.00 8.00 -1.26 -4.91 116.55 113.80 1p81 n ASP 677 Ca 0.14 -2.53 -0.43 0.00 0.71 0.00 0.00 54.79 52.68 1p81 n ASP 677 Cb 0.31 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 1p81 n ASP 677 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1p81 s ASN 678 N -1.04 7.10 0.16 -2.24 3.84 -0.31 -4.93 114.94 117.52 1p81 s ASN 678 Ca 0.48 1.36 -0.15 0.00 0.21 0.00 0.00 52.86 54.76 1p81 s ASN 678 Cb 0.32 -2.52 0.06 0.00 -0.55 0.00 0.00 41.25 38.56 1p81 s ASN 678 CO 0.21 -0.57 1.80 1.23 -2.79 0.00 0.00 177.10 176.99 1p81 h GLY 679 N 8.92 0.62 0.99 1.21 0.00 -1.92 -1.63 103.07 111.26 1p81 h GLY 679 Ca -0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1p81 h GLY 679 CO 0.92 0.17 0.21 -0.55 0.00 0.00 0.00 176.54 177.29 1p81 h ASP 680 N 0.53 0.79 -0.74 0.19 3.45 -1.96 -0.20 116.42 118.47 1p81 h ASP 680 Ca 0.18 -0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1p81 h ASP 680 Cb 0.01 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 1p81 h ASP 680 CO -0.08 0.76 0.40 0.00 -1.57 0.00 0.00 179.24 178.74 1p81 h ALA 681 N 1.06 0.95 -0.29 3.45 0.00 -1.82 0.82 119.26 123.41 1p81 h ALA 681 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1p81 h ALA 681 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1p81 h ALA 681 CO -0.01 0.47 -0.00 -0.91 0.00 0.00 0.00 179.25 178.79 1p81 h ASN 682 N 1.02 0.51 -0.43 0.00 2.35 -1.11 -3.06 115.58 114.86 1p81 h ASN 682 Ca 0.26 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1p81 h ASN 682 Cb 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1p81 h ASN 682 CO -0.04 0.70 0.16 0.22 -1.65 0.00 0.00 177.43 176.82 1p81 h TYR 683 N 0.31 0.72 -0.60 1.19 5.03 -0.85 -2.26 116.97 120.51 1p81 h TYR 683 Ca 0.08 -0.04 0.12 0.00 2.58 0.00 0.00 58.73 61.47 1p81 h TYR 683 Cb 0.44 -0.22 -0.10 0.00 1.55 0.00 0.00 36.73 38.39 1p81 h TYR 683 CO 0.04 0.58 -0.01 -0.92 -1.32 0.00 0.00 178.16 176.53 1p81 h TYR 684 N 0.70 -0.06 -0.15 -3.82 5.03 -0.74 0.31 116.97 118.25 1p81 h TYR 684 Ca 0.16 0.04 -0.16 0.00 2.58 0.00 0.00 58.73 61.36 1p81 h TYR 684 Cb 0.20 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 1p81 h TYR 684 CO 0.01 -0.16 -0.59 -0.07 -1.32 0.00 0.00 178.16 176.03 1p81 h LEU 685 N 0.11 0.55 -0.94 2.82 3.38 -1.38 -1.90 115.31 117.95 1p81 h LEU 685 Ca 0.31 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1p81 h LEU 685 Cb 0.50 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1p81 h LEU 685 CO -0.52 1.02 -0.07 0.24 0.09 0.00 0.00 178.44 179.20 1p81 h MET 686 N 0.37 0.69 -0.13 1.13 2.86 -0.83 0.81 114.93 119.83 1p81 h MET 686 Ca -0.00 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1p81 h MET 686 Cb 1.13 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1p81 h MET 686 CO 0.11 0.76 -0.24 1.49 1.06 0.00 0.00 176.91 180.09 1p81 h GLU 687 N 0.64 0.38 -0.69 1.72 4.81 -0.96 -1.66 114.58 118.84 1p81 h GLU 687 Ca 0.12 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1p81 h GLU 687 Cb 0.51 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1p81 h GLU 687 CO 0.03 0.84 0.34 0.00 -0.73 0.00 0.00 179.01 179.49 1p81 h ALA 688 N 0.54 1.31 -0.14 2.92 0.00 -1.23 -1.67 119.26 120.99 1p81 h ALA 688 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1p81 h ALA 688 Cb 0.82 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1p81 h ALA 688 CO 0.05 0.54 0.03 -0.92 0.00 0.00 0.00 179.25 178.95 1p81 h TYR 689 N 0.96 0.24 -0.99 0.00 3.20 -0.76 -0.82 116.97 118.81 1p81 h TYR 689 Ca 0.24 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.09 1p81 h TYR 689 Cb 0.08 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1p81 h TYR 689 CO 0.01 0.39 0.66 -0.22 -1.64 0.00 0.00 178.16 177.36 1p81 h LYS 690 N 0.03 1.29 -0.71 1.82 3.64 -1.08 -1.89 116.57 119.66 1p81 h LYS 690 Ca 0.04 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1p81 h LYS 690 Cb 0.27 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1p81 h LYS 690 CO 0.00 0.85 0.00 0.72 -2.27 0.00 0.00 179.45 178.75 1p81 n HIS 691 N -4.41 0.70 -2.14 1.91 8.25 -0.65 -4.88 115.22 114.00 1p81 n HIS 691 Ca 0.12 -0.26 -0.15 0.00 -0.26 0.00 0.00 57.72 57.18 1p81 n HIS 691 Cb 0.03 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 1p81 n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p81 n LEU 692 N 0.26 -1.59 -4.85 2.41 4.77 -0.71 -4.90 117.00 112.40 1p81 n LEU 692 Ca 0.10 0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.79 1p81 n LEU 692 Cb 0.52 -2.25 -0.06 0.00 -2.33 0.00 0.00 43.42 39.31 1p81 n LEU 692 CO 0.11 -0.27 0.24 -0.54 -1.33 0.00 0.00 177.39 175.61 1p81 s LYS 693 N -4.50 3.97 0.32 3.23 1.02 -0.34 -0.06 119.74 123.38 1p81 s LYS 693 Ca 0.00 0.48 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 1p81 s LYS 693 Cb 0.00 -2.90 -0.11 0.00 -0.52 0.00 0.00 37.83 34.30 1p81 s LYS 693 CO 0.00 0.46 1.48 -2.14 -0.92 0.00 0.00 175.35 174.23 1p81 s PRO 694 N -2.05 4.18 -0.03 -1.68 0.02 -1.26 -4.59 135.00 129.58 1p81 s PRO 694 Ca 0.39 2.47 0.05 0.00 0.02 0.00 0.00 61.00 63.93 1p81 s PRO 694 Cb -0.15 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 1p81 s PRO 694 CO 0.19 -0.49 -0.17 0.42 -0.33 0.00 0.00 177.00 176.62 1p81 s ILE 695 N -0.58 1.42 -0.07 2.83 1.01 -1.14 -2.12 121.20 122.56 1p81 s ILE 695 Ca 0.57 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1p81 s ILE 695 Cb -0.45 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1p81 s ILE 695 CO 0.53 0.41 -0.12 0.00 0.00 0.00 0.00 174.94 175.76 1p81 s ALA 696 N -0.10 1.29 -0.12 9.38 0.00 -0.25 -1.10 121.76 130.86 1p81 s ALA 696 Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1p81 s ALA 696 Cb -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1p81 s ALA 696 CO 0.01 0.05 -0.15 -0.51 0.00 0.00 0.00 175.76 175.16 1p81 s LEU 697 N 0.79 1.73 -0.04 0.00 1.43 0.13 -0.67 118.68 122.06 1p81 s LEU 697 Ca -0.12 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1p81 s LEU 697 Cb -0.15 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1p81 s LEU 697 CO 0.02 -0.01 -0.12 0.00 0.23 0.00 0.00 176.35 176.48 1p81 s ALA 698 N 1.15 2.79 0.00 4.21 0.00 -0.65 -2.85 121.76 126.41 1p81 s ALA 698 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1p81 s ALA 698 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1p81 s ALA 698 CO -0.05 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1p81 n GLY 699 N 2.08 3.24 0.06 0.00 0.00 -0.16 -1.00 105.19 109.41 1p81 n GLY 699 Ca -0.17 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1p81 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 700 N 3.55 0.27 0.29 1.61 8.00 -1.26 -1.57 116.55 127.44 1p81 n ASP 700 Ca 0.00 0.59 0.17 0.00 0.71 0.00 0.00 54.79 56.26 1p81 n ASP 700 Cb 0.00 -0.64 0.88 0.00 -0.02 0.00 0.00 41.12 41.34 1p81 n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p81 h ALA 701 N 2.20 1.18 0.00 2.24 0.00 -1.33 -2.13 119.26 121.42 1p81 h ALA 701 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p81 h ALA 701 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1p81 h ALA 701 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1p81 h ARG 702 N 0.00 0.00 0.00 0.00 3.08 -1.43 -1.38 114.38 114.65 1p81 h ARG 702 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p81 h ARG 702 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1p81 h ARG 702 CO 0.01 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.54 1p81 n LYS 703 N -2.82 0.16 0.09 0.04 4.76 -0.80 -1.53 118.16 118.06 1p81 n LYS 703 Ca -0.02 0.51 0.12 0.00 -2.87 0.00 0.00 58.31 56.05 1p81 n LYS 703 Cb 0.08 -1.88 0.45 0.00 -1.84 0.00 0.00 35.03 31.84 1p81 n LYS 703 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1p81 n PHE 704 N -2.19 0.68 0.03 2.13 3.01 -0.52 -3.38 117.46 117.22 1p81 n PHE 704 Ca 0.01 0.24 0.19 0.00 1.01 0.00 0.00 57.45 58.89 1p81 n PHE 704 Cb 0.14 -0.88 0.69 0.00 -0.01 0.00 0.00 39.48 39.42 1p81 n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1p81 h LYS 705 N 0.00 0.00 0.00 -1.08 1.57 -1.48 -0.95 116.57 114.64 1p81 h LYS 705 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1p81 h LYS 705 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1p81 h LYS 705 CO 0.00 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 178.60 1p81 h ALA 706 N 1.75 1.38 -0.30 3.86 0.00 -1.79 -2.81 119.26 121.34 1p81 h ALA 706 Ca 0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1p81 h ALA 706 Cb 0.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1p81 h ALA 706 CO -0.00 0.35 -0.29 1.15 0.00 0.00 0.00 179.25 180.45 1p81 h THR 707 N 0.00 1.28 -0.89 0.00 2.02 -1.42 -2.45 112.91 111.45 1p81 h THR 707 Ca -0.00 -1.40 -0.54 0.00 0.77 0.00 0.00 66.41 65.23 1p81 h THR 707 Cb 0.54 1.37 -0.27 0.00 -1.74 0.00 0.00 68.15 68.05 1p81 h THR 707 CO 0.04 0.45 0.70 2.30 0.37 0.00 0.00 175.52 179.38 1p81 n ILE 708 N -4.09 3.25 -1.72 3.11 -5.35 -1.07 -4.91 119.36 108.59 1p81 n ILE 708 Ca -0.01 -2.25 0.00 0.00 -0.27 0.00 0.00 62.75 60.22 1p81 n ILE 708 Cb 0.46 -0.90 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 1p81 n ILE 708 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1p81 n LYS 709 N -0.80 -0.38 -3.64 6.28 3.00 -0.92 -4.78 118.16 116.92 1p81 n LYS 709 Ca 0.55 -0.19 -0.04 0.00 -0.00 0.00 0.00 58.31 58.63 1p81 n LYS 709 Cb 1.04 0.33 -0.07 0.00 0.00 0.00 0.00 35.03 36.34 1p81 n LYS 709 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1p81 s ILE 710 N -2.08 0.00 0.59 3.15 1.10 -1.24 -5.08 121.20 117.65 1p81 s ILE 710 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1p81 s ILE 710 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 1p81 s ILE 710 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.83 1p81 n ALA 711 N 3.00 -2.47 0.00 1.50 0.00 -1.26 -4.89 120.51 116.40 1p81 n ALA 711 Ca -0.16 0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1p81 n ALA 711 Cb 0.57 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1p81 n ALA 711 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p81 n ASP 712 N -3.10 0.99 -0.50 0.00 5.68 -1.26 -4.64 116.55 113.72 1p81 n ASP 712 Ca -0.03 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.39 1p81 n ASP 712 Cb 0.54 0.15 0.32 0.00 -1.14 0.00 0.00 41.12 40.99 1p81 n ASP 712 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1p81 n GLN 713 N -0.52 1.47 0.00 0.11 1.13 -1.26 -5.04 117.38 113.27 1p81 n GLN 713 Ca 0.00 -1.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.05 1p81 n GLN 713 Cb 0.04 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.91 1p81 n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p81 n GLY 714 N 1.30 1.31 3.07 1.08 0.00 -1.26 -5.07 105.19 105.61 1p81 n GLY 714 Ca 0.14 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 1p81 n GLY 714 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p81 s GLU 715 N -1.91 0.26 0.11 1.61 2.12 -1.26 -4.82 118.70 114.81 1p81 s GLU 715 Ca 0.00 0.12 -0.34 0.00 0.36 0.00 0.00 54.97 55.12 1p81 s GLU 715 Cb 0.00 0.12 -0.13 0.00 0.26 0.00 0.00 34.13 34.38 1p81 s GLU 715 CO 0.00 -0.04 1.66 0.39 -0.54 0.00 0.00 175.26 176.73 1p81 n GLU 716 N 2.68 2.24 0.00 4.30 1.02 -1.26 -1.94 120.64 127.68 1p81 n GLU 716 Ca -0.14 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1p81 n GLU 716 Cb 0.58 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1p81 n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p81 n GLY 717 N 3.70 2.46 3.17 0.62 0.00 -1.26 -4.87 105.19 109.00 1p81 n GLY 717 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1p81 n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 718 N -2.45 2.76 -0.12 -0.61 -1.09 -0.82 -2.86 121.20 116.02 1p81 s ILE 718 Ca 0.00 -1.24 -0.19 0.00 -2.23 0.00 0.00 60.65 56.99 1p81 s ILE 718 Cb 0.00 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1p81 s ILE 718 CO 0.00 0.07 0.50 -0.69 -1.23 0.00 0.00 174.94 173.59 1p81 s VAL 719 N 1.26 5.17 -0.01 2.92 1.01 -0.25 -4.47 120.40 126.03 1p81 s VAL 719 Ca -0.03 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.92 1p81 s VAL 719 Cb -0.18 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1p81 s VAL 719 CO -0.04 0.31 0.07 -1.83 0.00 0.00 0.00 175.10 173.61 1p81 s GLU 720 N 0.68 0.24 0.09 2.72 -1.05 -1.26 -0.69 118.70 119.43 1p81 s GLU 720 Ca 0.27 -0.19 -0.26 0.00 -0.15 0.00 0.00 54.97 54.64 1p81 s GLU 720 Cb -0.15 0.10 0.08 0.00 -0.44 0.00 0.00 34.13 33.71 1p81 s GLU 720 CO 0.11 -0.05 0.87 0.00 0.95 0.00 0.00 175.26 177.15 1p81 s ALA 721 N -0.67 -1.70 0.41 -0.84 0.00 -1.13 -5.00 121.76 112.82 1p81 s ALA 721 Ca -0.07 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.50 1p81 s ALA 721 Cb -0.05 0.58 0.85 0.00 0.00 0.00 0.00 23.12 24.51 1p81 s ALA 721 CO 0.00 -0.85 2.04 -0.44 0.00 0.00 0.00 175.76 176.51 1p81 h ASP 722 N 2.00 0.43 -5.23 0.00 3.45 -1.93 -0.41 116.42 114.74 1p81 h ASP 722 Ca -0.24 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.10 1p81 h ASP 722 Cb 1.25 -0.11 -0.13 0.00 -0.56 0.00 0.00 39.33 39.77 1p81 h ASP 722 CO 0.29 0.35 -0.36 -0.94 -1.57 0.00 0.00 179.24 177.01 1p81 s SER 723 N -6.72 0.08 -0.49 6.45 1.04 -1.26 -2.18 113.70 110.62 1p81 s SER 723 Ca -0.08 -0.81 -0.28 0.00 0.48 0.00 0.00 55.95 55.27 1p81 s SER 723 Cb 0.17 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1p81 s SER 723 CO 0.73 -0.82 1.07 0.00 0.98 0.00 0.00 173.24 175.20 1p81 s ALA 724 N -3.93 3.16 0.00 5.32 0.00 -1.26 -4.83 121.76 120.21 1p81 s ALA 724 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1p81 s ALA 724 Cb 0.04 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1p81 s ALA 724 CO -0.04 -2.26 0.00 -0.40 0.00 0.00 0.00 175.76 173.06 1p81 n ASP 725 N 7.70 1.54 -0.15 0.00 5.68 -1.26 -4.71 116.55 125.34 1p81 n ASP 725 Ca 0.09 -0.47 -0.08 0.00 -0.50 0.00 0.00 54.79 53.84 1p81 n ASP 725 Cb 0.49 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.48 1p81 n ASP 725 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1p81 h GLY 726 N 0.00 0.67 0.93 6.12 0.00 -1.94 -0.22 103.07 108.62 1p81 h GLY 726 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1p81 h GLY 726 CO 0.00 0.27 -0.19 0.23 0.00 0.00 0.00 176.54 176.85 1p81 h SER 727 N 0.61 0.67 -0.35 0.19 0.87 -1.97 -0.50 113.55 113.07 1p81 h SER 727 Ca 0.16 -0.43 0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1p81 h SER 727 Cb 0.00 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 1p81 h SER 727 CO -0.03 0.96 0.19 0.15 -0.53 0.00 0.00 176.83 177.57 1p81 h PHE 728 N 0.39 0.35 -0.15 2.24 3.04 -1.86 -1.56 116.94 119.40 1p81 h PHE 728 Ca 0.06 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.91 1p81 h PHE 728 Cb 0.73 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1p81 h PHE 728 CO 0.07 0.20 -0.38 0.52 -2.02 0.00 0.00 178.31 176.70 1p81 h MET 729 N 0.39 0.33 -0.52 1.11 2.86 -0.90 -2.10 114.93 116.09 1p81 h MET 729 Ca 0.14 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1p81 h MET 729 Cb 0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1p81 h MET 729 CO -0.08 0.66 0.15 -0.44 1.06 0.00 0.00 176.91 178.27 1p81 h ASP 730 N 0.28 0.78 -0.12 1.22 3.32 -0.69 -0.02 116.42 121.18 1p81 h ASP 730 Ca 0.03 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1p81 h ASP 730 Cb 0.80 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1p81 h ASP 730 CO 0.06 0.79 0.08 -0.33 -1.72 0.00 0.00 179.24 178.12 1p81 h GLU 731 N 0.73 0.16 -0.19 3.56 5.08 -1.08 -1.52 114.58 121.31 1p81 h GLU 731 Ca 0.17 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1p81 h GLU 731 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1p81 h GLU 731 CO -0.00 0.10 0.10 1.25 -1.00 0.00 0.00 179.01 179.46 1p81 h LEU 732 N 0.16 0.24 -1.71 1.33 7.12 -1.13 -1.70 115.31 119.63 1p81 h LEU 732 Ca 0.04 -0.09 -0.03 0.00 0.13 0.00 0.00 57.88 57.93 1p81 h LEU 732 Cb -0.02 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.05 1p81 h LEU 732 CO -0.01 0.26 -0.16 -0.07 -0.13 0.00 0.00 178.44 178.33 1p81 h LEU 733 N 0.20 0.00 -0.26 2.25 3.38 -0.94 -0.80 115.31 119.14 1p81 h LEU 733 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1p81 h LEU 733 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1p81 h LEU 733 CO -0.01 0.16 -0.41 0.74 0.09 0.00 0.00 178.44 179.01 1p81 h THR 734 N 0.00 1.30 -0.67 0.22 2.02 -1.06 -1.73 112.91 112.99 1p81 h THR 734 Ca -0.00 -1.61 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1p81 h THR 734 Cb 0.29 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1p81 h THR 734 CO 0.02 0.51 0.39 -0.07 0.37 0.00 0.00 175.52 176.74 1p81 h LEU 735 N 0.46 0.83 -1.05 2.58 3.38 -0.42 -2.74 115.31 118.36 1p81 h LEU 735 Ca 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1p81 h LEU 735 Cb 1.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1p81 h LEU 735 CO 0.09 0.66 0.24 0.24 0.09 0.00 0.00 178.44 179.77 1p81 h MET 736 N 0.92 0.93 0.00 1.13 2.86 -1.10 -1.58 114.93 118.09 1p81 h MET 736 Ca 0.24 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1p81 h MET 736 Cb 0.00 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 1p81 h MET 736 CO -0.04 0.76 -0.08 0.00 1.06 0.00 0.00 176.91 178.61 1p81 h ALA 737 N 1.36 1.24 -0.48 6.32 0.00 -1.01 -0.41 119.26 126.28 1p81 h ALA 737 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p81 h ALA 737 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1p81 h ALA 737 CO -0.02 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1p81 n ALA 738 N -2.24 2.56 0.00 0.00 0.00 -0.61 -3.85 120.51 116.37 1p81 n ALA 738 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1p81 n ALA 738 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1p81 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1p81 n HIS 739 N 0.88 0.00 -4.27 0.00 -0.00 -0.16 -4.78 115.22 106.88 1p81 n HIS 739 Ca 0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.74 1p81 n HIS 739 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 1p81 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1p81 s ARG 740 N 0.00 1.18 -1.14 1.57 1.81 -1.26 -4.75 118.95 116.36 1p81 s ARG 740 Ca 0.00 -1.57 -0.10 0.00 -1.72 0.00 0.00 55.73 52.34 1p81 s ARG 740 Cb 0.00 -0.41 0.26 0.00 -0.45 0.00 0.00 34.95 34.35 1p81 s ARG 740 CO 0.00 -0.10 1.18 0.08 -0.68 0.00 0.00 175.30 175.78 1p81 s VAL 741 N -3.55 5.82 0.40 3.52 1.01 0.91 -4.88 120.40 123.62 1p81 s VAL 741 Ca 0.25 -3.28 0.17 0.00 0.00 0.00 0.00 61.98 59.11 1p81 s VAL 741 Cb 0.06 -4.67 0.17 0.00 0.00 0.00 0.00 36.38 31.93 1p81 s VAL 741 CO 0.05 -1.28 1.93 -0.50 0.00 0.00 0.00 175.10 175.31 1p81 h TRP 742 N 6.75 0.00 0.00 5.22 4.06 -1.94 -1.72 115.95 128.32 1p81 h TRP 742 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 1p81 h TRP 742 Cb 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 1p81 h TRP 742 CO 0.82 0.25 0.00 0.66 -3.56 0.00 0.00 178.44 176.62 1p81 h SER 743 N 0.00 0.00 0.35 -3.49 4.64 -1.96 -1.59 113.55 111.50 1p81 h SER 743 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p81 h SER 743 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1p81 h SER 743 CO 0.03 0.00 -0.08 -1.14 -0.87 0.00 0.00 176.83 174.77 1p81 n ARG 744 N -2.90 0.71 -0.13 4.77 0.63 -0.65 -4.31 116.66 114.78 1p81 n ARG 744 Ca -0.02 -0.21 -0.04 0.00 -0.92 0.00 0.00 57.85 56.66 1p81 n ARG 744 Cb 0.13 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.57 1p81 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1p81 h ILE 745 N 0.50 0.55 -0.92 5.15 2.04 -1.44 -0.15 117.51 123.24 1p81 h ILE 745 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1p81 h ILE 745 Cb 0.32 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1p81 h ILE 745 CO 0.00 0.00 0.59 -0.65 0.00 0.00 0.00 178.15 178.09 1p81 h PRO 746 N -0.02 0.74 0.00 2.37 0.11 -1.84 -2.49 132.00 130.88 1p81 h PRO 746 Ca 0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1p81 h PRO 746 Cb 0.33 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1p81 h PRO 746 CO -0.45 0.49 0.00 0.87 -0.21 0.00 0.00 178.00 178.70 1p81 h LYS 747 N 0.76 0.00 0.00 1.05 1.57 -1.31 -3.37 116.57 115.27 1p81 h LYS 747 Ca 0.46 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.10 1p81 h LYS 747 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1p81 h LYS 747 CO -0.22 0.00 -1.05 -0.84 -0.57 0.00 0.00 179.45 176.77 1p81 h ILE 748 N 0.00 0.65 0.00 1.86 3.07 -1.31 -3.39 117.51 118.39 1p81 h ILE 748 Ca 0.00 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.33 1p81 h ILE 748 Cb 0.60 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.33 1p81 h ILE 748 CO 0.00 0.37 0.00 0.47 -1.05 0.00 0.00 178.15 177.94 1p81 n ASP 749 N -3.02 0.04 -0.07 2.16 10.43 -1.26 -1.49 116.55 123.34 1p81 n ASP 749 Ca -0.05 -1.78 -0.04 0.00 2.57 0.00 0.00 54.79 55.49 1p81 n ASP 749 Cb 0.79 -0.02 -0.15 0.00 1.84 0.00 0.00 41.12 43.58 1p81 n ASP 749 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1p81 n LYS 750 N -0.48 0.81 -1.94 -1.24 0.00 -1.26 -4.93 118.16 109.12 1p81 n LYS 750 Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 58.31 57.84 1p81 n LYS 750 Cb 0.01 -1.49 -0.02 0.00 0.00 0.00 0.00 35.03 33.53 1p81 n LYS 750 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1p81 s ILE 751 N -2.71 2.51 -1.23 3.15 -5.25 -0.56 -4.91 121.20 112.21 1p81 s ILE 751 Ca -0.09 0.42 -0.15 0.00 -0.99 0.00 0.00 60.65 59.84 1p81 s ILE 751 Cb 0.08 -3.27 0.14 0.00 2.95 0.00 0.00 42.46 42.35 1p81 s ILE 751 CO 0.80 0.06 1.52 -2.16 -1.79 0.00 0.00 174.94 173.38 1p81 s PRO 752 N -0.17 4.04 0.00 0.37 0.04 -1.26 -5.07 135.00 132.95 1p81 s PRO 752 Ca 0.62 -2.36 0.00 0.00 0.04 0.00 0.00 61.00 59.30 1p81 s PRO 752 Cb -0.44 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 28.89 1p81 s PRO 752 CO 0.42 -1.93 0.00 0.00 0.04 0.00 0.00 177.00 175.54