#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p80 n SER 28 N 0.00 0.00 -0.18 -2.24 7.64 -1.26 -5.08 113.62 112.51 1p80 n SER 28 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1p80 n SER 28 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1p80 n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1p80 n LEU 29 N 0.00 1.16 -4.78 -3.43 4.77 -1.26 -4.95 117.00 108.50 1p80 n LEU 29 Ca 0.00 -0.41 -0.35 0.00 -0.03 0.00 0.00 56.01 55.22 1p80 n LEU 29 Cb 0.00 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1p80 n LEU 29 CO 0.00 0.24 0.77 0.00 -1.33 0.00 0.00 177.39 177.07 1p80 s ALA 30 N -2.77 2.79 0.29 -1.18 0.00 -1.26 -4.97 121.76 114.66 1p80 s ALA 30 Ca 0.15 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1p80 s ALA 30 Cb 0.18 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 1p80 s ALA 30 CO 0.69 -0.61 1.52 -1.25 0.00 0.00 0.00 175.76 176.10 1p80 s PRO 31 N -3.18 4.18 0.57 0.00 0.04 -1.26 -4.90 135.00 130.44 1p80 s PRO 31 Ca 0.70 2.47 0.26 0.00 0.04 0.00 0.00 61.00 64.47 1p80 s PRO 31 Cb -0.22 -3.05 1.62 0.00 0.04 0.00 0.00 34.50 32.89 1p80 s PRO 31 CO 0.26 -0.53 2.17 1.49 0.04 0.00 0.00 177.00 180.42 1p80 h GLU 32 N 4.59 0.00 0.00 4.56 4.57 -1.98 -1.62 114.58 124.70 1p80 h GLU 32 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1p80 h GLU 32 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1p80 h GLU 32 CO 0.76 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 178.19 1p80 n ASP 33 N -4.03 0.00 -1.32 1.04 5.68 -1.26 -4.89 116.55 111.77 1p80 n ASP 33 Ca -0.01 -0.34 -0.13 0.00 -0.50 0.00 0.00 54.79 53.81 1p80 n ASP 33 Cb 0.19 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 1p80 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p80 n GLY 34 N 0.47 0.49 0.54 6.12 0.00 -0.61 -4.89 105.19 107.30 1p80 n GLY 34 Ca 0.13 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.87 1p80 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 35 N -0.41 1.57 0.17 1.61 3.41 -1.26 -3.24 113.62 115.48 1p80 n SER 35 Ca -0.15 -1.90 0.08 0.00 -0.26 0.00 0.00 58.87 56.64 1p80 n SER 35 Cb 0.55 -0.17 0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1p80 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1p80 h HIS 36 N 1.81 0.00 -3.34 7.33 2.07 -1.90 -3.45 115.15 117.67 1p80 h HIS 36 Ca 0.00 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.89 1p80 h HIS 36 Cb 0.41 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.18 1p80 h HIS 36 CO 0.17 0.22 -0.64 0.50 -3.07 0.00 0.00 177.93 175.12 1p80 s ARG 37 N -3.11 3.73 0.44 5.12 6.06 -1.20 -4.98 118.95 125.01 1p80 s ARG 37 Ca 0.05 -0.48 -0.24 0.00 -2.50 0.00 0.00 55.73 52.56 1p80 s ARG 37 Cb 0.06 -3.03 -0.08 0.00 0.06 0.00 0.00 34.95 31.96 1p80 s ARG 37 CO 0.71 0.19 1.21 -1.25 -2.50 0.00 0.00 175.30 173.66 1p80 s PRO 38 N 0.54 3.82 0.31 5.12 0.05 -1.26 -4.99 135.00 138.60 1p80 s PRO 38 Ca -0.01 1.90 -0.29 0.00 0.05 0.00 0.00 61.00 62.65 1p80 s PRO 38 Cb -0.14 -2.53 -0.10 0.00 0.05 0.00 0.00 34.50 31.78 1p80 s PRO 38 CO 0.02 -0.53 1.23 0.00 0.05 0.00 0.00 177.00 177.77 1p80 s ALA 39 N -1.44 3.46 -1.39 8.56 0.00 -1.26 -4.91 121.76 124.78 1p80 s ALA 39 Ca 0.61 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 53.61 1p80 s ALA 39 Cb -0.32 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.46 1p80 s ALA 39 CO 0.39 -0.46 2.29 0.00 0.00 0.00 0.00 175.76 177.98 1p80 n ALA 40 N 0.94 6.22 -3.42 0.00 0.00 -1.26 -4.80 120.51 118.19 1p80 n ALA 40 Ca -0.00 -4.02 -0.16 0.00 0.00 0.00 0.00 53.44 49.26 1p80 n ALA 40 Cb 0.43 -3.11 -0.06 0.00 0.00 0.00 0.00 19.45 16.71 1p80 n ALA 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1p80 s GLU 41 N 0.84 0.99 0.13 0.00 2.56 -1.23 -4.85 118.70 117.14 1p80 s GLU 41 Ca 0.51 0.04 -0.33 0.00 0.00 0.00 0.00 54.97 55.19 1p80 s GLU 41 Cb 0.15 0.46 -0.12 0.00 2.00 0.00 0.00 34.13 36.61 1p80 s GLU 41 CO -0.05 -0.32 1.72 -2.30 -0.56 0.00 0.00 175.26 173.74 1p80 n PRO 42 N 0.81 2.46 -3.95 4.30 -0.02 -1.26 -4.99 135.00 132.35 1p80 n PRO 42 Ca -0.19 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.08 1p80 n PRO 42 Cb 0.58 -2.72 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 1p80 n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p80 s THR 43 N 1.87 0.10 0.65 3.45 -4.23 -0.97 -4.96 115.64 111.54 1p80 s THR 43 Ca 0.81 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 60.37 1p80 s THR 43 Cb -0.59 -0.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 1p80 s THR 43 CO 0.38 -0.43 1.14 -2.16 -0.54 0.00 0.00 174.62 173.01 1p80 s PRO 44 N -1.32 2.77 0.11 3.99 0.04 -1.26 -3.17 135.00 136.16 1p80 s PRO 44 Ca -0.14 1.54 -0.35 0.00 0.04 0.00 0.00 61.00 62.08 1p80 s PRO 44 Cb -0.09 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 1p80 s PRO 44 CO -0.00 -1.30 1.48 -2.30 0.04 0.00 0.00 177.00 174.92 1p80 n PRO 45 N -2.22 1.65 -0.06 0.56 -0.02 -1.26 -1.78 135.00 131.87 1p80 n PRO 45 Ca 0.11 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1p80 n PRO 45 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1p80 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p80 n GLY 46 N 3.05 2.26 0.17 -1.23 0.00 -1.26 -4.92 105.19 103.26 1p80 n GLY 46 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1p80 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p80 h ALA 47 N 0.00 0.69 -2.36 4.61 0.00 -1.70 -3.46 119.26 117.03 1p80 h ALA 47 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 54.91 54.10 1p80 h ALA 47 Cb 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.57 1p80 h ALA 47 CO 0.00 0.76 -0.66 -0.65 0.00 0.00 0.00 179.25 178.70 1p80 s GLN 48 N -3.66 0.97 0.40 0.00 -1.52 -1.26 -5.07 119.66 109.52 1p80 s GLN 48 Ca -0.05 -1.46 -0.26 0.00 -1.95 0.00 0.00 55.36 51.64 1p80 s GLN 48 Cb 0.11 0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.86 1p80 s GLN 48 CO 0.82 -0.20 1.34 -2.14 -0.25 0.00 0.00 175.29 174.86 1p80 s PRO 49 N -3.99 3.98 0.79 2.91 0.02 -1.26 -5.00 135.00 132.44 1p80 s PRO 49 Ca 0.23 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 1p80 s PRO 49 Cb 0.07 -2.80 0.06 0.00 0.02 0.00 0.00 34.50 31.86 1p80 s PRO 49 CO 0.02 -0.52 1.09 0.95 -0.33 0.00 0.00 177.00 178.21 1p80 s THR 50 N -1.22 3.24 0.21 0.99 -4.23 -1.26 -4.63 115.64 108.74 1p80 s THR 50 Ca 0.56 0.40 -0.16 0.00 -1.18 0.00 0.00 61.69 61.32 1p80 s THR 50 Cb -0.40 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.37 1p80 s THR 50 CO 0.52 -0.53 0.49 0.00 -0.54 0.00 0.00 174.62 174.56 1p80 s ALA 51 N -3.08 -0.68 0.27 3.99 0.00 -1.26 -4.99 121.76 116.01 1p80 s ALA 51 Ca 0.61 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.83 1p80 s ALA 51 Cb -0.15 0.89 -0.15 0.00 0.00 0.00 0.00 23.12 23.71 1p80 s ALA 51 CO 0.55 -0.80 0.95 -2.30 0.00 0.00 0.00 175.76 174.15 1p80 n PRO 52 N -0.34 1.15 -0.21 0.00 -0.02 -1.26 -4.67 135.00 129.65 1p80 n PRO 52 Ca -0.08 0.40 0.02 0.00 -2.02 0.00 0.00 63.50 61.82 1p80 n PRO 52 Cb 0.62 -1.73 0.12 0.00 -0.02 0.00 0.00 33.50 32.50 1p80 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1p80 h GLY 53 N 1.91 0.80 2.00 -1.23 0.00 -1.31 -1.04 103.07 104.20 1p80 h GLY 53 Ca -0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1p80 h GLY 53 CO 0.60 -0.15 -0.01 1.48 0.00 0.00 0.00 176.54 178.46 1p80 h SER 54 N 0.23 0.00 0.31 0.19 4.64 -1.83 -0.51 113.55 116.59 1p80 h SER 54 Ca 0.34 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.33 1p80 h SER 54 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 1p80 h SER 54 CO -0.45 0.01 -1.86 0.18 -0.87 0.00 0.00 176.83 173.84 1p80 n LEU 55 N -3.12 1.64 0.06 5.97 4.77 -0.65 -3.12 117.00 122.55 1p80 n LEU 55 Ca -0.00 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1p80 n LEU 55 Cb 0.25 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1p80 n LEU 55 CO 0.26 0.60 0.17 0.50 -1.33 0.00 0.00 177.39 177.59 1p80 h LYS 56 N 0.03 0.50 -1.96 3.23 1.63 -1.04 -3.40 116.57 115.56 1p80 h LYS 56 Ca -0.36 -0.52 -0.54 0.00 -0.85 0.00 0.00 60.65 58.38 1p80 h LYS 56 Cb 2.03 0.14 -0.39 0.00 -0.60 0.00 0.00 32.23 33.42 1p80 h LYS 56 CO 0.08 1.16 -1.11 0.00 -3.45 0.00 0.00 179.45 176.13 1p80 n ALA 57 N -2.57 2.30 0.29 5.00 0.00 -0.21 -3.54 120.51 121.78 1p80 n ALA 57 Ca -0.08 -3.36 0.14 0.00 0.00 0.00 0.00 53.44 50.14 1p80 n ALA 57 Cb 0.84 -0.84 0.89 0.00 0.00 0.00 0.00 19.45 20.34 1p80 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p80 h PRO 58 N 3.86 0.00 -0.02 0.00 0.13 -1.72 -2.03 132.00 132.23 1p80 h PRO 58 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1p80 h PRO 58 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1p80 h PRO 58 CO 0.46 0.00 -0.06 -0.25 -0.23 0.00 0.00 178.00 177.92 1p80 n ASP 59 N -3.92 1.62 -4.54 1.44 8.00 -1.26 -4.76 116.55 113.13 1p80 n ASP 59 Ca -0.03 -1.45 -0.43 0.00 0.71 0.00 0.00 54.79 53.59 1p80 n ASP 59 Cb 0.09 0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1p80 n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1p80 s THR 60 N -2.11 4.64 0.20 -3.53 2.01 -0.77 -5.02 115.64 111.06 1p80 s THR 60 Ca 0.34 0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.79 1p80 s THR 60 Cb 0.20 -4.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1p80 s THR 60 CO 0.37 -0.74 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.36 1p80 s ARG 61 N 3.32 1.25 0.27 4.92 1.81 -1.26 -5.05 118.95 124.22 1p80 s ARG 61 Ca 0.30 -1.59 -0.18 0.00 -1.72 0.00 0.00 55.73 52.54 1p80 s ARG 61 Cb -0.12 -0.74 0.01 0.00 -0.45 0.00 0.00 34.95 33.65 1p80 s ARG 61 CO 0.22 0.02 0.64 0.54 -0.68 0.00 0.00 175.30 176.04 1p80 s ASN 62 N -3.27 -0.18 0.25 0.23 2.20 -1.26 -5.01 114.94 107.89 1p80 s ASN 62 Ca 0.23 -0.74 -0.05 0.00 -0.94 0.00 0.00 52.86 51.36 1p80 s ASN 62 Cb 0.03 0.69 0.31 0.00 -2.00 0.00 0.00 41.25 40.28 1p80 s ASN 62 CO 0.06 -1.29 1.89 -0.08 -2.94 0.00 0.00 177.10 174.73 1p80 h GLU 63 N 2.08 1.13 -0.25 3.55 4.81 -1.97 -0.62 114.58 123.32 1p80 h GLU 63 Ca -0.22 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1p80 h GLU 63 Cb 1.25 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1p80 h GLU 63 CO 0.28 0.75 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.94 1p80 h LYS 64 N 1.17 0.55 -0.98 1.92 1.63 -1.96 -1.79 116.57 117.10 1p80 h LYS 64 Ca 0.38 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1p80 h LYS 64 Cb 0.03 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 1p80 h LYS 64 CO -0.13 0.82 0.64 -0.07 -3.45 0.00 0.00 179.45 177.26 1p80 h LEU 65 N 0.27 1.14 -0.88 5.20 3.38 -1.89 -1.80 115.31 120.73 1p80 h LEU 65 Ca 0.05 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1p80 h LEU 65 Cb 0.66 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1p80 h LEU 65 CO 0.04 0.83 -0.32 0.78 0.09 0.00 0.00 178.44 179.86 1p80 h ASN 66 N 1.34 0.46 0.89 -0.43 2.35 -1.07 -2.78 115.58 116.33 1p80 h ASN 66 Ca 0.36 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1p80 h ASN 66 Cb -0.14 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.10 1p80 h ASN 66 CO -0.08 0.76 0.00 0.77 -1.65 0.00 0.00 177.43 177.23 1p80 h SER 67 N 0.38 0.00 0.42 5.81 4.64 -0.48 -2.17 113.55 122.15 1p80 h SER 67 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1p80 h SER 67 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1p80 h SER 67 CO 0.06 0.00 -0.12 0.18 -0.87 0.00 0.00 176.83 176.08 1p80 n LEU 68 N -2.46 0.44 0.23 5.97 4.77 -0.93 -4.10 117.00 120.92 1p80 n LEU 68 Ca 0.02 0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.15 1p80 n LEU 68 Cb 0.27 -0.21 0.68 0.00 -2.33 0.00 0.00 43.42 41.83 1p80 n LEU 68 CO 0.23 0.08 1.09 -0.08 -1.33 0.00 0.00 177.39 177.38 1p80 h GLU 69 N 0.49 0.00 0.00 3.23 4.57 -1.47 -1.99 114.58 119.41 1p80 h GLU 69 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1p80 h GLU 69 Cb 0.38 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1p80 h GLU 69 CO 0.00 0.00 -0.01 0.38 -1.18 0.00 0.00 179.01 178.20 1p80 h ASP 70 N 0.00 0.00 -0.01 1.04 -0.00 -1.82 -2.78 116.42 112.85 1p80 h ASP 70 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 1p80 h ASP 70 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.47 1p80 h ASP 70 CO -0.00 0.01 -0.16 1.33 -0.00 0.00 0.00 179.24 180.42 1p80 n VAL 71 N -3.70 0.00 -2.19 4.15 0.24 -0.77 -5.00 118.33 111.05 1p80 n VAL 71 Ca -0.03 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 1p80 n VAL 71 Cb 0.09 1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 1p80 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1p80 s ARG 72 N -1.18 4.39 -0.12 7.34 0.52 -1.05 -5.01 118.95 123.84 1p80 s ARG 72 Ca 0.07 2.10 0.02 0.00 -0.52 0.00 0.00 55.73 57.41 1p80 s ARG 72 Cb 0.07 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.39 1p80 s ARG 72 CO 0.20 -0.20 -0.20 0.21 0.02 0.00 0.00 175.30 175.34 1p80 s LYS 73 N -0.78 3.15 0.00 3.54 2.20 -1.26 -5.04 119.74 121.54 1p80 s LYS 73 Ca 0.53 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1p80 s LYS 73 Cb -0.38 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1p80 s LYS 73 CO 0.43 0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.96 1p80 n GLY 74 N 3.71 0.43 0.00 5.54 0.00 -1.26 -5.07 105.19 108.54 1p80 n GLY 74 Ca -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1p80 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 75 N -0.07 0.00 -4.74 1.61 3.41 -1.26 -5.07 113.62 107.51 1p80 n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1p80 n SER 75 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1p80 n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1p80 s GLU 76 N -0.99 4.13 -0.83 4.33 2.02 -1.26 -2.12 118.70 123.99 1p80 s GLU 76 Ca 0.00 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.55 1p80 s GLU 76 Cb 0.00 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1p80 s GLU 76 CO 0.00 -0.66 0.00 0.09 0.02 0.00 0.00 175.26 174.71 1p80 n ASN 77 N 2.79 -4.68 -4.77 -0.19 3.02 -1.26 -5.02 115.26 105.15 1p80 n ASN 77 Ca 0.11 0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.56 1p80 n ASN 77 Cb 0.37 -2.86 -0.06 0.00 -0.61 0.00 0.00 39.78 36.61 1p80 n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p80 s TYR 78 N -2.04 3.16 0.41 3.10 2.02 -0.90 -5.10 117.35 118.00 1p80 s TYR 78 Ca 0.00 0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 56.51 1p80 s TYR 78 Cb 0.00 -1.58 -0.09 0.00 -0.40 0.00 0.00 41.96 39.88 1p80 s TYR 78 CO 0.00 0.52 1.02 0.00 -1.57 0.00 0.00 175.55 175.52 1p80 s ALA 79 N -1.48 3.06 -0.03 3.71 0.00 -1.26 -5.01 121.76 120.74 1p80 s ALA 79 Ca 0.29 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 1p80 s ALA 79 Cb -0.12 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1p80 s ALA 79 CO 0.22 -0.13 1.07 -1.17 0.00 0.00 0.00 175.76 175.76 1p80 s LEU 80 N -2.78 4.32 0.29 0.00 2.96 -1.26 -5.00 118.68 117.20 1p80 s LEU 80 Ca 0.59 1.73 0.02 0.00 -0.22 0.00 0.00 54.13 56.25 1p80 s LEU 80 Cb -0.19 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 1p80 s LEU 80 CO 0.24 -0.42 0.10 0.42 -1.32 0.00 0.00 176.35 175.37 1p80 s THR 81 N 1.54 0.65 1.07 3.68 -4.23 -1.26 -1.36 115.64 115.72 1p80 s THR 81 Ca 0.53 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.87 1p80 s THR 81 Cb -0.23 -2.63 0.24 0.00 1.34 0.00 0.00 72.50 71.22 1p80 s THR 81 CO 0.24 0.00 1.22 0.42 -0.54 0.00 0.00 174.62 175.96 1p80 s THR 82 N -3.60 1.82 -0.63 3.99 -4.23 0.12 -4.88 115.64 108.22 1p80 s THR 82 Ca 0.36 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.11 1p80 s THR 82 Cb 0.07 -2.77 0.24 0.00 1.34 0.00 0.00 72.50 71.38 1p80 s THR 82 CO 0.15 0.00 1.71 0.59 -0.54 0.00 0.00 174.62 176.52 1p80 n ASN 83 N -4.20 0.58 -0.46 3.99 3.02 -1.26 -1.85 115.26 115.08 1p80 n ASN 83 Ca 0.14 0.62 0.14 0.00 -0.03 0.00 0.00 54.58 55.44 1p80 n ASN 83 Cb 0.59 -0.75 0.47 0.00 -0.61 0.00 0.00 39.78 39.48 1p80 n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p80 n GLN 84 N -2.11 1.54 -0.34 3.52 1.13 -1.26 -4.95 117.38 114.91 1p80 n GLN 84 Ca 0.03 -0.93 0.00 0.00 -1.94 0.00 0.00 57.00 54.16 1p80 n GLN 84 Cb 0.27 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1p80 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p80 n GLY 85 N 1.22 0.83 3.67 1.08 0.00 -0.77 -5.05 105.19 106.16 1p80 n GLY 85 Ca 0.17 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1p80 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p80 s VAL 86 N -2.00 4.93 0.35 1.61 1.01 -1.26 -4.80 120.40 120.25 1p80 s VAL 86 Ca 0.00 1.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.18 1p80 s VAL 86 Cb 0.00 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 1p80 s VAL 86 CO 0.00 0.06 1.38 -0.13 0.00 0.00 0.00 175.10 176.41 1p80 s ARG 87 N 2.02 4.24 -0.18 2.72 0.52 -1.26 -0.71 118.95 126.31 1p80 s ARG 87 Ca 0.35 2.35 -0.09 0.00 -0.52 0.00 0.00 55.73 57.82 1p80 s ARG 87 Cb -0.16 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1p80 s ARG 87 CO 0.12 -0.33 0.12 0.42 0.02 0.00 0.00 175.30 175.64 1p80 s ILE 88 N -1.14 5.30 -0.17 1.52 1.01 -0.47 -4.89 121.20 122.37 1p80 s ILE 88 Ca 0.51 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 1p80 s ILE 88 Cb -0.42 -3.39 -0.23 0.00 0.01 0.00 0.00 42.46 38.43 1p80 s ILE 88 CO 0.57 0.48 0.23 0.00 0.00 0.00 0.00 174.94 176.22 1p80 n ALA 89 N 3.21 0.92 -3.83 9.38 0.00 -1.26 -4.81 120.51 124.12 1p80 n ALA 89 Ca -0.17 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.34 1p80 n ALA 89 Cb 0.53 -0.55 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 1p80 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p80 s ASP 90 N -6.97 3.96 -0.22 0.00 3.68 -1.26 -4.97 116.67 110.89 1p80 s ASP 90 Ca -0.26 -1.50 0.11 0.00 2.13 0.00 0.00 52.55 53.02 1p80 s ASP 90 Cb 0.07 -1.03 0.67 0.00 -1.45 0.00 0.00 42.92 41.18 1p80 s ASP 90 CO 0.69 -0.35 1.57 -0.67 0.13 0.00 0.00 175.17 176.53 1p80 n ASP 91 N 4.73 4.81 -0.00 -0.34 4.64 -1.26 -4.07 116.55 125.05 1p80 n ASP 91 Ca -0.04 -2.84 0.06 0.00 -1.38 0.00 0.00 54.79 50.58 1p80 n ASP 91 Cb 0.43 -0.67 -0.08 0.00 -1.04 0.00 0.00 41.12 39.76 1p80 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p80 n GLN 92 N 0.36 2.00 -4.02 -0.67 1.13 -1.26 -5.05 117.38 109.87 1p80 n GLN 92 Ca 0.26 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 55.16 1p80 n GLN 92 Cb 1.09 -1.14 -0.12 0.00 0.11 0.00 0.00 30.24 30.18 1p80 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1p80 s ASN 93 N -2.63 0.54 0.54 1.08 0.01 -1.26 -5.15 114.94 108.08 1p80 s ASN 93 Ca 0.01 -0.47 -0.10 0.00 -0.71 0.00 0.00 52.86 51.59 1p80 s ASN 93 Cb 0.08 0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.75 1p80 s ASN 93 CO 0.48 -0.21 0.93 -0.44 -1.51 0.00 0.00 177.10 176.34 1p80 s SER 94 N -1.35 6.33 -0.10 -1.22 0.01 -1.26 -4.97 113.70 111.14 1p80 s SER 94 Ca -0.11 1.27 -0.29 0.00 1.31 0.00 0.00 55.95 58.13 1p80 s SER 94 Cb -0.09 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1p80 s SER 94 CO -0.00 -0.70 0.96 -0.22 0.41 0.00 0.00 173.24 173.70 1p80 s LEU 95 N -4.75 4.26 0.07 2.44 2.96 -1.26 -5.03 118.68 117.37 1p80 s LEU 95 Ca 0.53 1.48 -0.00 0.00 -0.22 0.00 0.00 54.13 55.92 1p80 s LEU 95 Cb -0.11 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1p80 s LEU 95 CO 0.46 -0.40 -0.02 0.00 -1.32 0.00 0.00 176.35 175.07 1p80 s ARG 96 N 1.83 0.71 -0.97 1.98 1.70 -1.26 -1.36 118.95 121.58 1p80 s ARG 96 Ca 0.47 -1.28 -0.20 0.00 -0.47 0.00 0.00 55.73 54.25 1p80 s ARG 96 Cb -0.18 0.13 0.10 0.00 -0.57 0.00 0.00 34.95 34.43 1p80 s ARG 96 CO 0.19 -0.12 1.25 0.00 -1.08 0.00 0.00 175.30 175.54 1p80 s ALA 97 N -3.88 3.17 0.00 7.88 0.00 -0.77 -4.75 121.76 123.40 1p80 s ALA 97 Ca 0.11 -2.62 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1p80 s ALA 97 Cb 0.07 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1p80 s ALA 97 CO -0.07 -3.19 0.00 0.41 0.00 0.00 0.00 175.76 172.91 1p80 n GLY 98 N 5.91 1.14 0.22 0.00 0.00 -1.26 -3.55 105.19 107.65 1p80 n GLY 98 Ca 0.28 -1.70 0.16 0.00 0.00 0.00 0.00 46.02 44.76 1p80 n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1p80 h SER 99 N 0.00 0.00 -0.23 1.61 4.64 -2.00 -1.37 113.55 116.20 1p80 h SER 99 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p80 h SER 99 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1p80 h SER 99 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1p80 n ARG 100 N -2.70 2.70 -1.85 4.77 1.74 -1.26 -5.07 116.66 115.00 1p80 n ARG 100 Ca 0.00 -2.51 -0.14 0.00 -0.77 0.00 0.00 57.85 54.43 1p80 n ARG 100 Cb 0.21 -1.59 0.07 0.00 -1.02 0.00 0.00 32.46 30.13 1p80 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p80 n GLY 101 N -0.37 0.72 3.78 -0.13 0.00 -0.52 -5.06 105.19 103.60 1p80 n GLY 101 Ca 0.17 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1p80 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p80 s PRO 102 N -4.08 3.32 0.27 1.61 0.04 -1.26 -4.59 135.00 130.31 1p80 s PRO 102 Ca 0.41 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 1p80 s PRO 102 Cb -0.02 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1p80 s PRO 102 CO 0.27 -0.86 1.01 0.99 0.04 0.00 0.00 177.00 178.46 1p80 s THR 103 N -1.91 3.81 0.06 1.26 2.01 -1.26 -1.86 115.64 117.76 1p80 s THR 103 Ca 0.71 1.79 -0.08 0.00 0.31 0.00 0.00 61.69 64.41 1p80 s THR 103 Cb -0.22 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 1p80 s THR 103 CO 0.29 0.39 0.36 -0.76 -0.69 0.00 0.00 174.62 174.21 1p80 s LEU 104 N -1.42 4.35 0.55 4.42 1.43 -0.47 -4.94 118.68 122.60 1p80 s LEU 104 Ca 0.44 0.70 0.28 0.00 -1.03 0.00 0.00 54.13 54.52 1p80 s LEU 104 Cb -0.28 -2.91 1.59 0.00 0.03 0.00 0.00 46.19 44.62 1p80 s LEU 104 CO 0.35 0.19 2.15 0.25 0.23 0.00 0.00 176.35 179.52 1p80 h LEU 105 N 3.73 0.00 0.00 1.79 5.85 -1.96 -2.38 115.31 122.35 1p80 h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1p80 h LEU 105 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1p80 h LEU 105 CO 0.67 0.07 0.00 -1.84 -0.34 0.00 0.00 178.44 177.00 1p80 n GLU 106 N -3.76 0.79 -2.43 1.25 0.28 -1.26 -4.55 120.64 110.95 1p80 n GLU 106 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 1p80 n GLU 106 Cb 0.17 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 1p80 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1p80 s ASP 107 N -1.76 6.23 0.46 -1.84 3.68 -0.90 -4.77 116.67 117.78 1p80 s ASP 107 Ca 0.26 -1.64 0.26 0.00 2.13 0.00 0.00 52.55 53.56 1p80 s ASP 107 Cb 0.12 -2.57 0.91 0.00 -1.45 0.00 0.00 42.92 39.93 1p80 s ASP 107 CO 0.20 -1.77 1.82 2.19 0.13 0.00 0.00 175.17 177.74 1p80 h PHE 108 N 9.38 0.00 -0.05 -5.34 -0.00 -1.90 -2.05 116.94 116.98 1p80 h PHE 108 Ca 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.19 1p80 h PHE 108 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.91 1p80 h PHE 108 CO 1.31 0.16 -0.11 0.82 -0.00 0.00 0.00 178.31 180.49 1p80 h ILE 109 N 0.00 1.44 -0.04 0.88 2.04 -1.98 -1.11 117.51 118.74 1p80 h ILE 109 Ca -0.00 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1p80 h ILE 109 Cb 0.76 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1p80 h ILE 109 CO 0.02 0.40 -0.05 0.25 0.00 0.00 0.00 178.15 178.77 1p80 h LEU 110 N -0.37 -0.14 -1.01 1.44 5.85 -1.93 -2.19 115.31 116.97 1p80 h LEU 110 Ca -0.00 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1p80 h LEU 110 Cb 0.70 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1p80 h LEU 110 CO 0.02 -0.07 -0.06 0.03 -0.34 0.00 0.00 178.44 178.02 1p80 h ARG 111 N -0.07 0.64 -0.30 1.25 3.08 -1.36 -0.28 114.38 117.36 1p80 h ARG 111 Ca 0.03 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1p80 h ARG 111 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1p80 h ARG 111 CO -0.08 0.71 -0.16 1.49 -1.07 0.00 0.00 179.97 180.85 1p80 h GLU 112 N 0.60 0.64 -0.27 0.04 4.81 -1.09 0.36 114.58 119.67 1p80 h GLU 112 Ca 0.11 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1p80 h GLU 112 Cb 0.47 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1p80 h GLU 112 CO 0.02 0.87 0.13 -0.22 -0.73 0.00 0.00 179.01 179.09 1p80 h LYS 113 N 0.39 0.40 -0.19 1.92 3.64 -1.01 -1.29 116.57 120.43 1p80 h LYS 113 Ca 0.06 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1p80 h LYS 113 Cb 0.69 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1p80 h LYS 113 CO 0.05 0.39 -0.51 0.82 -2.27 0.00 0.00 179.45 177.93 1p80 h ILE 114 N 0.31 1.32 -0.47 2.00 1.08 -1.06 -2.62 117.51 118.07 1p80 h ILE 114 Ca 0.09 -1.74 -0.01 0.00 -0.39 0.00 0.00 64.86 62.82 1p80 h ILE 114 Cb 0.12 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 1p80 h ILE 114 CO -0.01 0.54 0.26 0.74 -0.69 0.00 0.00 178.15 178.99 1p80 h THR 115 N 0.40 1.16 -0.63 -0.27 2.02 -0.75 0.16 112.91 115.01 1p80 h THR 115 Ca 0.02 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1p80 h THR 115 Cb 1.03 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1p80 h THR 115 CO 0.09 0.17 0.18 -0.74 0.37 0.00 0.00 175.52 175.60 1p80 h HIS 116 N 0.62 1.03 -0.35 3.16 -0.00 -1.19 -2.49 115.15 115.93 1p80 h HIS 116 Ca 0.17 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1p80 h HIS 116 Cb 0.05 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 1p80 h HIS 116 CO -0.02 0.85 0.23 0.35 -0.00 0.00 0.00 177.93 179.34 1p80 h PHE 117 N 0.92 0.44 -0.06 5.26 3.57 -1.08 -2.37 116.94 123.61 1p80 h PHE 117 Ca 0.20 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1p80 h PHE 117 Cb 0.32 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1p80 h PHE 117 CO 0.02 0.27 0.07 -0.44 -2.23 0.00 0.00 178.31 176.01 1p80 h ASP 118 N 0.47 0.00 -0.31 0.41 3.45 -0.35 -2.57 116.42 117.52 1p80 h ASP 118 Ca 0.13 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.47 1p80 h ASP 118 Cb -0.05 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.65 1p80 h ASP 118 CO -0.03 0.00 -0.05 1.41 -1.57 0.00 0.00 179.24 179.00 1p80 n HIS 119 N -3.80 0.99 0.06 4.55 8.25 -0.91 -4.75 115.22 119.62 1p80 n HIS 119 Ca -0.01 -1.36 -0.05 0.00 -0.26 0.00 0.00 57.72 56.04 1p80 n HIS 119 Cb 0.17 -0.42 0.16 0.00 1.12 0.00 0.00 29.99 31.01 1p80 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1p80 h GLU 120 N 1.18 0.34 -6.76 -0.41 5.08 -1.28 -3.45 114.58 109.27 1p80 h GLU 120 Ca 0.15 -0.18 -0.49 0.00 -1.00 0.00 0.00 59.36 57.84 1p80 h GLU 120 Cb 1.57 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1p80 h GLU 120 CO 0.32 0.74 0.21 1.03 -1.00 0.00 0.00 179.01 180.31 1p80 s ARG 121 N -4.05 4.30 0.26 2.33 1.81 -1.26 -5.09 118.95 117.25 1p80 s ARG 121 Ca -0.05 1.00 0.07 0.00 -1.72 0.00 0.00 55.73 55.03 1p80 s ARG 121 Cb 0.13 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.90 1p80 s ARG 121 CO 0.80 0.26 -0.09 0.96 -0.68 0.00 0.00 175.30 176.54 1p80 s ILE 122 N -1.73 1.76 0.34 1.52 -4.36 -1.26 -5.11 121.20 112.36 1p80 s ILE 122 Ca 0.50 -2.17 -0.29 0.00 -0.26 0.00 0.00 60.65 58.43 1p80 s ILE 122 Cb -0.15 -2.34 -0.12 0.00 1.25 0.00 0.00 42.46 41.10 1p80 s ILE 122 CO 0.20 -0.38 1.47 -2.65 0.24 0.00 0.00 174.94 173.83 1p80 n PRO 123 N -0.54 2.55 -1.73 0.37 -0.02 -1.26 -4.99 135.00 129.38 1p80 n PRO 123 Ca -0.06 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 62.02 1p80 n PRO 123 Cb 0.62 -2.61 0.06 0.00 -0.02 0.00 0.00 33.50 31.55 1p80 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1p80 s GLU 124 N -1.58 2.71 0.46 -0.52 -1.05 -1.26 -4.90 118.70 112.56 1p80 s GLU 124 Ca 0.57 0.62 -0.24 0.00 -0.15 0.00 0.00 54.97 55.77 1p80 s GLU 124 Cb -0.51 -1.99 -0.08 0.00 -0.44 0.00 0.00 34.13 31.11 1p80 s GLU 124 CO 0.59 -1.18 1.26 0.54 0.95 0.00 0.00 175.26 177.43 1p80 n ARG 125 N -3.13 1.80 -0.33 -4.83 1.74 -1.26 -4.90 116.66 105.74 1p80 n ARG 125 Ca 0.07 0.65 -0.02 0.00 -0.77 0.00 0.00 57.85 57.77 1p80 n ARG 125 Cb 0.56 -2.40 0.13 0.00 -1.02 0.00 0.00 32.46 29.72 1p80 n ARG 125 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1p80 h ILE 126 N 1.82 1.25 -3.49 0.55 6.09 -1.98 -3.36 117.51 118.38 1p80 h ILE 126 Ca -0.49 -0.52 -0.32 0.00 -1.37 0.00 0.00 64.86 62.17 1p80 h ILE 126 Cb 1.30 -0.07 -0.15 0.00 0.47 0.00 0.00 36.82 38.37 1p80 h ILE 126 CO 0.59 0.26 -0.72 0.68 -3.07 0.00 0.00 178.15 175.88 1p80 s VAL 127 N -5.96 1.09 -1.50 2.19 -7.23 -1.26 -4.83 120.40 102.90 1p80 s VAL 127 Ca -0.12 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1p80 s VAL 127 Cb 0.18 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.38 1p80 s VAL 127 CO 0.82 -0.72 0.21 1.41 -0.31 0.00 0.00 175.10 176.52 1p80 n HIS 128 N -0.03 -1.22 0.24 2.82 8.25 -0.47 -4.90 115.22 119.91 1p80 n HIS 128 Ca -0.12 0.18 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 1p80 n HIS 128 Cb 0.60 -3.83 0.56 0.00 1.12 0.00 0.00 29.99 28.44 1p80 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p80 h ALA 129 N 0.88 1.67 -2.43 -1.41 0.00 -1.71 -3.40 119.26 112.86 1p80 h ALA 129 Ca -0.45 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 53.67 1p80 h ALA 129 Cb 1.33 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1p80 h ALA 129 CO 0.51 0.19 -0.06 0.50 0.00 0.00 0.00 179.25 180.39 1p80 s ARG 130 N -4.63 3.57 0.12 0.00 6.06 -1.25 -4.08 118.95 118.74 1p80 s ARG 130 Ca -0.04 -0.22 -0.24 0.00 -2.50 0.00 0.00 55.73 52.73 1p80 s ARG 130 Cb 0.16 -3.83 0.07 0.00 0.06 0.00 0.00 34.95 31.41 1p80 s ARG 130 CO 0.67 -0.68 0.61 0.20 -2.50 0.00 0.00 175.30 173.61 1p80 s GLY 131 N 1.78 -0.61 -0.02 8.12 0.00 -1.26 -1.55 107.32 113.77 1p80 s GLY 131 Ca 0.18 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.55 1p80 s GLY 131 CO 0.14 0.29 -0.09 -0.56 0.00 0.00 0.00 173.10 172.88 1p80 s SER 132 N -2.48 1.19 0.14 1.64 0.01 0.67 -4.93 113.70 109.92 1p80 s SER 132 Ca -0.01 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.09 1p80 s SER 132 Cb -0.01 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1p80 s SER 132 CO -0.09 0.07 -0.06 0.00 0.41 0.00 0.00 173.24 173.56 1p80 s ALA 133 N 0.17 1.25 0.14 1.44 0.00 -1.26 -0.45 121.76 123.05 1p80 s ALA 133 Ca -0.03 -1.46 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 1p80 s ALA 133 Cb -0.08 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1p80 s ALA 133 CO 0.00 -0.20 0.40 0.00 0.00 0.00 0.00 175.76 175.96 1p80 s ALA 134 N -3.51 -0.79 0.23 0.00 0.00 -0.26 -4.52 121.76 112.90 1p80 s ALA 134 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1p80 s ALA 134 Cb 0.04 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1p80 s ALA 134 CO -0.01 -0.66 0.47 -1.01 0.00 0.00 0.00 175.76 174.55 1p80 s HIS 135 N -3.84 3.47 0.00 0.00 3.76 0.43 -1.21 115.29 117.90 1p80 s HIS 135 Ca 0.05 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 1p80 s HIS 135 Cb 0.02 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1p80 s HIS 135 CO -0.09 0.30 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 1p80 n GLY 136 N -0.54 2.03 3.20 -2.22 0.00 -0.50 -1.42 105.19 105.74 1p80 n GLY 136 Ca -0.02 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1p80 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p80 s TYR 137 N -2.73 0.06 0.09 1.61 -0.85 -0.47 -0.93 117.35 114.13 1p80 s TYR 137 Ca 0.00 -0.34 0.07 0.00 -0.52 0.00 0.00 57.07 56.28 1p80 s TYR 137 Cb 0.00 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 1p80 s TYR 137 CO 0.00 -0.48 -0.19 0.12 -1.52 0.00 0.00 175.55 173.48 1p80 s PHE 138 N -3.02 1.60 -0.16 -3.49 5.36 0.44 -1.33 117.98 117.38 1p80 s PHE 138 Ca -0.02 -0.43 -0.09 0.00 -0.96 0.00 0.00 56.93 55.44 1p80 s PHE 138 Cb 0.01 -0.89 0.05 0.00 -0.34 0.00 0.00 43.02 41.86 1p80 s PHE 138 CO -0.06 0.15 0.38 -1.14 -1.46 0.00 0.00 175.22 173.09 1p80 s GLN 139 N -1.82 0.36 0.48 10.12 0.74 -0.73 -0.75 119.66 128.07 1p80 s GLN 139 Ca 0.04 0.72 -0.21 0.00 0.05 0.00 0.00 55.36 55.96 1p80 s GLN 139 Cb -0.10 -0.02 -0.08 0.00 1.10 0.00 0.00 33.01 33.90 1p80 s GLN 139 CO 0.03 -0.15 1.04 -1.25 -0.55 0.00 0.00 175.29 174.42 1p80 s PRO 140 N 1.28 3.81 0.17 1.67 0.04 -1.26 -1.50 135.00 139.21 1p80 s PRO 140 Ca -0.09 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 1p80 s PRO 140 Cb -0.08 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1p80 s PRO 140 CO -0.11 -0.43 1.41 1.88 0.04 0.00 0.00 177.00 179.79 1p80 h TYR 141 N 1.62 0.49 -3.43 0.56 0.99 -1.45 -3.38 116.97 112.38 1p80 h TYR 141 Ca -0.49 -0.23 -0.04 0.00 2.00 0.00 0.00 58.73 59.96 1p80 h TYR 141 Cb 1.22 -0.07 -0.11 0.00 1.00 0.00 0.00 36.73 38.77 1p80 h TYR 141 CO 0.57 1.01 -0.05 -1.59 -0.00 0.00 0.00 178.16 178.09 1p80 s LYS 142 N -3.48 1.29 0.29 4.88 -2.85 -1.26 -4.74 119.74 113.86 1p80 s LYS 142 Ca -0.05 -0.90 -0.30 0.00 -1.00 0.00 0.00 55.97 53.72 1p80 s LYS 142 Cb 0.10 0.48 -0.11 0.00 -2.06 0.00 0.00 37.83 36.25 1p80 s LYS 142 CO 0.84 -0.53 1.47 0.45 0.10 0.00 0.00 175.35 177.68 1p80 s SER 143 N -2.88 6.56 -0.23 0.03 0.15 -1.26 -4.68 113.70 111.38 1p80 s SER 143 Ca 0.10 2.79 0.14 0.00 0.70 0.00 0.00 55.95 59.67 1p80 s SER 143 Cb 0.00 -2.63 0.61 0.00 -1.71 0.00 0.00 66.02 62.29 1p80 s SER 143 CO -0.04 -0.75 1.55 0.18 1.20 0.00 0.00 173.24 175.38 1p80 n LEU 144 N 1.86 4.59 -0.11 3.45 4.77 -0.26 -4.73 117.00 126.57 1p80 n LEU 144 Ca 0.05 -3.16 0.27 0.00 -0.03 0.00 0.00 56.01 53.15 1p80 n LEU 144 Cb 0.40 -0.62 0.72 0.00 -2.33 0.00 0.00 43.42 41.59 1p80 n LEU 144 CO 0.62 0.78 1.24 0.28 -1.33 0.00 0.00 177.39 178.98 1p80 h SER 145 N 2.13 0.00 0.47 -1.43 0.02 -1.77 0.92 113.55 113.88 1p80 h SER 145 Ca 0.08 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1p80 h SER 145 Cb 1.72 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1p80 h SER 145 CO 0.38 0.00 -0.30 0.44 -1.14 0.00 0.00 176.83 176.21 1p80 h ASP 146 N 0.00 0.00 0.00 3.07 3.45 -1.98 -3.33 116.42 117.63 1p80 h ASP 146 Ca 0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.83 1p80 h ASP 146 Cb 1.66 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.43 1p80 h ASP 146 CO -0.00 0.30 -0.86 2.30 -1.57 0.00 0.00 179.24 179.41 1p80 n ILE 147 N -3.87 0.00 -3.74 0.35 -5.35 0.18 -4.85 119.36 102.09 1p80 n ILE 147 Ca -0.02 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.11 1p80 n ILE 147 Cb 0.38 0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 38.80 1p80 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p80 s THR 148 N -2.02 0.03 -2.12 7.28 -1.32 -0.41 -3.42 115.64 113.65 1p80 s THR 148 Ca -0.00 -0.25 0.20 0.00 -1.21 0.00 0.00 61.69 60.42 1p80 s THR 148 Cb 0.03 -0.61 0.51 0.00 -1.51 0.00 0.00 72.50 70.93 1p80 s THR 148 CO 0.21 -0.14 1.45 2.29 -2.21 0.00 0.00 174.62 176.22 1p80 n LYS 149 N 1.90 2.39 -1.68 7.08 2.85 -0.64 -3.75 118.16 126.31 1p80 n LYS 149 Ca -0.18 -2.14 -0.45 0.00 -1.05 0.00 0.00 58.31 54.48 1p80 n LYS 149 Cb 0.57 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.43 1p80 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p80 n ALA 150 N 1.27 1.46 -0.33 0.58 0.00 -1.22 -4.71 120.51 117.56 1p80 n ALA 150 Ca 0.20 0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.96 1p80 n ALA 150 Cb 0.52 -2.51 0.16 0.00 0.00 0.00 0.00 19.45 17.62 1p80 n ALA 150 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1p80 h ASP 151 N 8.34 1.06 0.50 0.00 3.58 -1.93 -2.11 116.42 125.86 1p80 h ASP 151 Ca -0.47 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1p80 h ASP 151 Cb 1.25 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1p80 h ASP 151 CO 0.93 0.76 0.00 2.22 -2.88 0.00 0.00 179.24 180.27 1p80 n PHE 152 N -4.40 0.46 -0.40 0.28 1.16 -1.26 -1.66 117.46 111.65 1p80 n PHE 152 Ca 0.11 0.19 0.07 0.00 -1.87 0.00 0.00 57.45 55.95 1p80 n PHE 152 Cb 0.03 -0.81 0.19 0.00 -1.61 0.00 0.00 39.48 37.28 1p80 n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1p80 n LEU 153 N -1.93 3.26 0.03 5.98 4.77 -0.80 -4.63 117.00 123.67 1p80 n LEU 153 Ca 0.02 -2.26 0.12 0.00 -0.03 0.00 0.00 56.01 53.85 1p80 n LEU 153 Cb 0.17 -0.33 0.19 0.00 -2.33 0.00 0.00 43.42 41.11 1p80 n LEU 153 CO 0.15 0.73 0.34 -1.54 -1.33 0.00 0.00 177.39 175.74 1p80 n SER 154 N 0.31 0.60 -3.68 -1.43 3.41 -0.66 -1.11 113.62 111.07 1p80 n SER 154 Ca 0.15 -0.06 -0.10 0.00 -0.26 0.00 0.00 58.87 58.60 1p80 n SER 154 Cb 0.56 0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 64.70 1p80 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p80 s ASP 155 N -3.72 -0.66 0.60 4.04 3.68 -1.26 -4.50 116.67 114.86 1p80 s ASP 155 Ca 0.08 1.13 0.33 0.00 2.13 0.00 0.00 52.55 56.22 1p80 s ASP 155 Cb 0.15 1.03 1.94 0.00 -1.45 0.00 0.00 42.92 44.59 1p80 s ASP 155 CO 0.72 -0.21 2.27 1.55 0.13 0.00 0.00 175.17 179.63 1p80 h PRO 156 N 6.74 0.00 -0.13 4.34 0.13 -1.84 -1.25 132.00 140.00 1p80 h PRO 156 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1p80 h PRO 156 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p80 h PRO 156 CO 0.23 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.10 1p80 n ASN 157 N -3.62 1.99 -4.60 1.44 3.02 -1.26 -4.52 115.26 107.71 1p80 n ASN 157 Ca -0.03 -1.71 -0.42 0.00 -0.03 0.00 0.00 54.58 52.39 1p80 n ASN 157 Cb 0.10 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1p80 n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1p80 s LYS 158 N -1.85 3.83 -0.15 3.52 2.20 -0.47 -5.02 119.74 121.80 1p80 s LYS 158 Ca 0.34 0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 56.34 1p80 s LYS 158 Cb 0.20 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1p80 s LYS 158 CO 0.30 -0.89 0.26 0.42 -0.36 0.00 0.00 175.35 175.07 1p80 s ILE 159 N 3.31 5.32 -0.19 5.43 -1.09 -1.26 -4.45 121.20 128.27 1p80 s ILE 159 Ca 0.36 0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 59.24 1p80 s ILE 159 Cb -0.13 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1p80 s ILE 159 CO 0.17 0.44 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.30 1p80 s THR 160 N 0.17 2.64 0.56 2.92 2.01 0.07 -4.95 115.64 119.05 1p80 s THR 160 Ca 0.15 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 1p80 s THR 160 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1p80 s THR 160 CO 0.04 0.49 1.27 -2.84 -0.69 0.00 0.00 174.62 172.89 1p80 s PRO 161 N 1.25 3.14 0.14 4.92 0.02 -1.26 -0.42 135.00 142.78 1p80 s PRO 161 Ca 0.03 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.09 1p80 s PRO 161 Cb -0.14 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 1p80 s PRO 161 CO -0.07 -1.12 -0.08 0.14 -0.33 0.00 0.00 177.00 175.54 1p80 s VAL 162 N -1.44 0.99 -0.07 3.83 -7.23 -0.11 -1.38 120.40 114.99 1p80 s VAL 162 Ca 0.73 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1p80 s VAL 162 Cb -0.35 -1.84 0.03 0.00 0.56 0.00 0.00 36.38 34.78 1p80 s VAL 162 CO 0.40 -0.75 -0.01 0.12 -0.31 0.00 0.00 175.10 174.56 1p80 s PHE 163 N -3.44 0.73 -0.05 2.82 5.36 -0.77 -1.41 117.98 121.22 1p80 s PHE 163 Ca 0.16 -0.21 0.05 0.00 -0.96 0.00 0.00 56.93 55.97 1p80 s PHE 163 Cb 0.04 -0.82 -0.02 0.00 -0.34 0.00 0.00 43.02 41.88 1p80 s PHE 163 CO -0.00 -0.33 -0.20 0.08 -1.46 0.00 0.00 175.22 173.31 1p80 s VAL 164 N 1.85 2.56 -0.09 3.12 1.01 -0.35 -1.14 120.40 127.37 1p80 s VAL 164 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1p80 s VAL 164 Cb -0.12 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1p80 s VAL 164 CO -0.05 0.58 -0.16 -0.60 0.00 0.00 0.00 175.10 174.87 1p80 s ARG 165 N -0.54 2.18 0.09 2.72 3.52 0.02 -1.10 118.95 125.84 1p80 s ARG 165 Ca 0.07 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 1p80 s ARG 165 Cb -0.11 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1p80 s ARG 165 CO 0.01 0.01 0.09 -0.06 -0.81 0.00 0.00 175.30 174.54 1p80 s PHE 166 N 0.77 3.20 0.27 5.12 0.40 0.41 -1.34 117.98 126.81 1p80 s PHE 166 Ca -0.11 0.07 -0.17 0.00 -0.60 0.00 0.00 56.93 56.12 1p80 s PHE 166 Cb -0.16 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1p80 s PHE 166 CO 0.02 0.52 0.62 -1.54 0.70 0.00 0.00 175.22 175.54 1p80 s SER 167 N -2.50 -0.16 0.52 1.36 1.04 -0.67 -0.24 113.70 113.04 1p80 s SER 167 Ca 0.30 -0.78 0.06 0.00 0.48 0.00 0.00 55.95 56.01 1p80 s SER 167 Cb -0.12 0.68 0.09 0.00 0.10 0.00 0.00 66.02 66.76 1p80 s SER 167 CO 0.23 -1.28 0.69 0.35 0.98 0.00 0.00 173.24 174.21 1p80 n THR 168 N -0.43 0.00 -0.11 2.02 -2.24 -0.60 -0.31 114.28 112.61 1p80 n THR 168 Ca -0.03 -1.52 -0.20 0.00 -2.27 0.00 0.00 64.05 60.02 1p80 n THR 168 Cb 0.60 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 1p80 n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p80 n VAL 169 N -2.15 1.37 -0.03 2.28 0.31 -1.22 -3.80 118.33 115.08 1p80 n VAL 169 Ca 0.13 -0.18 -0.17 0.00 -0.01 0.00 0.00 64.34 64.11 1p80 n VAL 169 Cb 0.49 -1.96 -0.14 0.00 -0.91 0.00 0.00 33.84 31.33 1p80 n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1p80 h GLN 170 N -0.86 0.12 -7.28 5.55 4.15 -1.90 -1.24 115.11 113.64 1p80 h GLN 170 Ca -0.43 -0.21 -0.52 0.00 0.77 0.00 0.00 58.65 58.27 1p80 h GLN 170 Cb 1.33 0.08 0.18 0.00 0.21 0.00 0.00 27.48 29.27 1p80 h GLN 170 CO -0.26 1.10 0.26 0.20 -1.93 0.00 0.00 178.83 178.20 1p80 s GLY 171 N -4.38 1.73 1.20 2.39 0.00 -1.25 -4.89 107.32 102.12 1p80 s GLY 171 Ca -0.18 0.53 -0.20 0.00 0.00 0.00 0.00 44.72 44.87 1p80 s GLY 171 CO 0.74 0.92 1.17 -0.32 0.00 0.00 0.00 173.10 175.61 1p80 s GLY 172 N -2.82 1.64 0.55 0.20 0.00 -1.26 -3.86 107.32 101.77 1p80 s GLY 172 Ca 0.66 -1.15 0.30 0.00 0.00 0.00 0.00 44.72 44.54 1p80 s GLY 172 CO 0.56 -0.22 2.10 0.00 0.00 0.00 0.00 173.10 175.55 1p80 h ALA 173 N -2.53 1.21 -0.63 3.20 0.00 -1.95 -1.53 119.26 117.02 1p80 h ALA 173 Ca -0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1p80 h ALA 173 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p80 h ALA 173 CO 0.29 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1p80 n GLY 174 N -0.65 2.37 3.94 0.00 0.00 -1.26 -4.72 105.19 104.87 1p80 n GLY 174 Ca -0.02 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1p80 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p80 s SER 175 N -0.91 3.43 0.34 1.61 1.04 -0.58 -5.06 113.70 113.57 1p80 s SER 175 Ca 0.47 0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.97 1p80 s SER 175 Cb 0.28 -0.28 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 1p80 s SER 175 CO 0.26 -2.51 0.65 0.00 0.98 0.00 0.00 173.24 172.62 1p80 s ALA 176 N -3.72 3.50 -0.05 5.32 0.00 -1.26 -4.92 121.76 120.63 1p80 s ALA 176 Ca 0.72 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.07 1p80 s ALA 176 Cb -0.04 -2.49 -0.27 0.00 0.00 0.00 0.00 23.12 20.31 1p80 s ALA 176 CO 0.51 0.14 0.95 -0.44 0.00 0.00 0.00 175.76 176.92 1p80 h ASP 177 N 1.53 0.37 -0.58 0.00 3.45 -1.09 -3.37 116.42 116.74 1p80 h ASP 177 Ca -0.47 -0.88 -0.35 0.00 0.43 0.00 0.00 57.03 55.75 1p80 h ASP 177 Cb 1.19 -0.12 -0.14 0.00 -0.56 0.00 0.00 39.33 39.70 1p80 h ASP 177 CO 0.65 1.22 0.39 0.35 -1.57 0.00 0.00 179.24 180.28 1p80 n THR 178 N -4.29 2.89 -1.48 0.35 -2.24 -1.26 -4.91 114.28 103.33 1p80 n THR 178 Ca -0.12 -1.91 -0.29 0.00 -2.27 0.00 0.00 64.05 59.46 1p80 n THR 178 Cb 0.68 -1.40 0.12 0.00 -2.10 0.00 0.00 70.33 67.63 1p80 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p80 s VAL 179 N -2.21 2.54 -0.46 2.28 -7.23 -1.26 -4.40 120.40 109.65 1p80 s VAL 179 Ca 0.37 0.17 -0.21 0.00 -1.81 0.00 0.00 61.98 60.50 1p80 s VAL 179 Cb 0.27 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 34.37 1p80 s VAL 179 CO -0.05 -0.23 0.69 -0.60 -0.31 0.00 0.00 175.10 174.61 1p80 s ARG 180 N -5.17 3.28 0.19 4.82 3.52 -1.26 -4.61 118.95 119.74 1p80 s ARG 180 Ca 0.63 -0.39 -0.23 0.00 -0.13 0.00 0.00 55.73 55.61 1p80 s ARG 180 Cb -0.15 -3.98 0.05 0.00 -1.56 0.00 0.00 34.95 29.31 1p80 s ARG 180 CO 0.54 -1.10 0.72 -0.65 -0.81 0.00 0.00 175.30 174.00 1p80 s GLN 181 N 2.98 1.44 0.52 5.12 -1.52 -0.67 -4.49 119.66 123.03 1p80 s GLN 181 Ca 0.24 -0.69 -0.20 0.00 -1.95 0.00 0.00 55.36 52.76 1p80 s GLN 181 Cb -0.14 0.56 -0.07 0.00 -0.22 0.00 0.00 33.01 33.14 1p80 s GLN 181 CO 0.19 -0.65 1.09 0.42 -0.25 0.00 0.00 175.29 176.09 1p80 s ILE 182 N -3.71 3.41 0.03 1.08 -1.09 -1.26 -4.52 121.20 115.14 1p80 s ILE 182 Ca 0.07 0.88 0.05 0.00 -2.23 0.00 0.00 60.65 59.41 1p80 s ILE 182 Cb -0.03 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1p80 s ILE 182 CO -0.03 -0.18 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.28 1p80 s ARG 183 N -3.25 2.41 0.25 2.79 1.81 -1.26 -3.46 118.95 118.24 1p80 s ARG 183 Ca 0.70 -0.82 -0.11 0.00 -1.72 0.00 0.00 55.73 53.78 1p80 s ARG 183 Cb -0.21 -2.42 -0.08 0.00 -0.45 0.00 0.00 34.95 31.79 1p80 s ARG 183 CO 0.24 0.57 0.59 0.20 -0.68 0.00 0.00 175.30 176.23 1p80 s GLY 184 N -1.63 2.29 -0.34 -3.53 0.00 0.57 -0.57 107.32 104.12 1p80 s GLY 184 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1p80 s GLY 184 CO 0.09 -0.05 0.26 -0.12 0.00 0.00 0.00 173.10 173.28 1p80 s PHE 185 N -1.86 0.16 -0.13 1.90 2.19 0.44 -1.68 117.98 119.01 1p80 s PHE 185 Ca 0.49 -1.03 -0.01 0.00 0.33 0.00 0.00 56.93 56.70 1p80 s PHE 185 Cb -0.11 -0.69 -0.02 0.00 -1.31 0.00 0.00 43.02 40.89 1p80 s PHE 185 CO 0.20 -0.89 -0.09 0.00 1.83 0.00 0.00 175.22 176.28 1p80 s ALA 186 N 1.55 2.79 -0.11 11.12 0.00 -0.45 -1.33 121.76 135.33 1p80 s ALA 186 Ca 0.15 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1p80 s ALA 186 Cb -0.18 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.63 1p80 s ALA 186 CO -0.12 0.29 -0.16 0.99 0.00 0.00 0.00 175.76 176.76 1p80 s THR 187 N 0.17 1.56 -0.31 0.00 2.01 -0.26 -0.80 115.64 118.01 1p80 s THR 187 Ca -0.05 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 1p80 s THR 187 Cb -0.14 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1p80 s THR 187 CO 0.04 0.45 0.18 -0.75 -0.69 0.00 0.00 174.62 173.85 1p80 s LYS 188 N 0.88 3.50 -0.29 4.92 2.20 -0.29 -0.53 119.74 130.14 1p80 s LYS 188 Ca -0.08 -0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 54.79 1p80 s LYS 188 Cb -0.15 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 1p80 s LYS 188 CO -0.00 -0.37 0.20 -0.06 -0.36 0.00 0.00 175.35 174.76 1p80 s PHE 189 N 1.67 3.22 -1.08 4.03 0.40 0.58 -1.85 117.98 124.95 1p80 s PHE 189 Ca 0.06 0.09 -0.15 0.00 -0.60 0.00 0.00 56.93 56.33 1p80 s PHE 189 Cb -0.17 -2.40 0.17 0.00 0.51 0.00 0.00 43.02 41.14 1p80 s PHE 189 CO 0.08 -0.18 1.25 0.71 0.70 0.00 0.00 175.22 177.78 1p80 s TYR 190 N 1.77 3.48 0.63 0.36 2.02 -0.48 -1.72 117.35 123.40 1p80 s TYR 190 Ca 0.07 -1.94 -0.06 0.00 -0.37 0.00 0.00 57.07 54.78 1p80 s TYR 190 Cb -0.16 -4.22 0.03 0.00 -0.40 0.00 0.00 41.96 37.21 1p80 s TYR 190 CO 0.11 -1.35 0.93 0.95 -1.57 0.00 0.00 175.55 174.62 1p80 s THR 191 N 1.53 3.06 -0.86 -0.71 -4.23 -0.98 -4.31 115.64 109.15 1p80 s THR 191 Ca 0.36 -0.16 0.22 0.00 -1.18 0.00 0.00 61.69 60.93 1p80 s THR 191 Cb -0.05 -3.25 0.20 0.00 1.34 0.00 0.00 72.50 70.74 1p80 s THR 191 CO -0.05 -0.25 1.68 -0.62 -0.54 0.00 0.00 174.62 174.84 1p80 n GLU 192 N -2.69 0.07 -0.18 3.99 1.02 -1.26 -2.65 120.64 118.95 1p80 n GLU 192 Ca 0.06 0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 1p80 n GLU 192 Cb 0.59 -1.62 0.17 0.00 -0.02 0.00 0.00 31.44 30.56 1p80 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p80 n GLU 193 N -1.75 1.63 0.00 3.49 1.02 -1.26 -4.86 120.64 118.91 1p80 n GLU 193 Ca 0.04 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 1p80 n GLU 193 Cb 0.26 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1p80 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p80 n GLY 194 N -1.24 3.24 3.71 0.62 0.00 -1.09 -4.75 105.19 105.70 1p80 n GLY 194 Ca 0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1p80 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 195 N -2.46 4.27 -0.20 -0.61 -1.09 -1.26 -2.31 121.20 117.53 1p80 s ILE 195 Ca 0.00 1.64 -0.02 0.00 -2.23 0.00 0.00 60.65 60.03 1p80 s ILE 195 Cb 0.00 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1p80 s ILE 195 CO 0.00 0.13 -0.09 0.12 -1.23 0.00 0.00 174.94 173.87 1p80 s PHE 196 N 1.01 2.90 -0.24 3.97 5.36 -0.70 -4.28 117.98 126.00 1p80 s PHE 196 Ca 0.57 -1.12 -0.07 0.00 -0.96 0.00 0.00 56.93 55.34 1p80 s PHE 196 Cb -0.27 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1p80 s PHE 196 CO 0.29 -0.60 0.06 -0.51 -1.46 0.00 0.00 175.22 173.00 1p80 s ASP 197 N 1.37 5.11 -0.48 6.13 -0.00 -0.58 -0.31 116.67 127.92 1p80 s ASP 197 Ca 0.05 -0.20 -0.13 0.00 -0.00 0.00 0.00 52.55 52.27 1p80 s ASP 197 Cb -0.14 -1.91 0.10 0.00 -0.00 0.00 0.00 42.92 40.97 1p80 s ASP 197 CO -0.06 -0.02 0.38 -0.22 -0.00 0.00 0.00 175.17 175.26 1p80 s LEU 198 N 1.53 5.69 -0.72 1.23 2.96 0.31 -4.43 118.68 125.25 1p80 s LEU 198 Ca 0.06 -1.63 -0.10 0.00 -0.22 0.00 0.00 54.13 52.24 1p80 s LEU 198 Cb -0.15 -2.11 0.19 0.00 0.50 0.00 0.00 46.19 44.62 1p80 s LEU 198 CO 0.03 -0.69 0.61 -0.69 -1.32 0.00 0.00 176.35 174.29 1p80 s VAL 199 N 1.51 4.84 0.40 1.68 1.01 -1.26 -1.10 120.40 127.48 1p80 s VAL 199 Ca 0.04 -2.55 0.02 0.00 0.00 0.00 0.00 61.98 59.49 1p80 s VAL 199 Cb -0.26 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1p80 s VAL 199 CO 0.03 -0.95 0.17 0.61 0.00 0.00 0.00 175.10 174.95 1p80 n GLY 200 N 3.92 3.23 3.59 4.51 0.00 -0.44 -4.91 105.19 115.10 1p80 n GLY 200 Ca 0.09 -2.30 -0.28 0.00 0.00 0.00 0.00 46.02 43.53 1p80 n GLY 200 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p80 s ASN 201 N -3.27 3.24 -0.06 1.61 0.01 -0.63 -0.42 114.94 115.42 1p80 s ASN 201 Ca 0.13 -1.68 0.13 0.00 -0.71 0.00 0.00 52.86 50.73 1p80 s ASN 201 Cb -0.01 0.53 0.49 0.00 0.41 0.00 0.00 41.25 42.67 1p80 s ASN 201 CO 0.08 -0.92 1.36 -0.46 -1.51 0.00 0.00 177.10 175.65 1p80 n ASN 202 N -1.33 3.26 -4.07 -1.22 6.94 0.27 -0.35 115.26 118.77 1p80 n ASN 202 Ca -0.10 -2.23 -0.14 0.00 -0.02 0.00 0.00 54.58 52.08 1p80 n ASN 202 Cb 0.65 -0.44 -0.12 0.00 -2.36 0.00 0.00 39.78 37.51 1p80 n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1p80 s THR 203 N -1.65 0.62 -2.00 5.53 -4.23 -1.26 -4.58 115.64 108.06 1p80 s THR 203 Ca 0.35 -1.01 0.29 0.00 -1.18 0.00 0.00 61.69 60.14 1p80 s THR 203 Cb 0.21 -0.65 0.82 0.00 1.34 0.00 0.00 72.50 74.23 1p80 s THR 203 CO 0.18 -0.29 2.07 -0.81 -0.54 0.00 0.00 174.62 175.24 1p80 n PRO 204 N 1.63 0.93 -4.22 3.99 -0.04 -1.26 -4.59 135.00 131.44 1p80 n PRO 204 Ca -0.21 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.12 1p80 n PRO 204 Cb 0.55 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1p80 n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1p80 s ILE 205 N -2.00 0.27 0.41 0.52 -0.00 -1.26 -4.51 121.20 114.63 1p80 s ILE 205 Ca 0.43 -1.97 0.07 0.00 -0.00 0.00 0.00 60.65 59.19 1p80 s ILE 205 Cb 0.20 -2.33 -0.04 0.00 -0.00 0.00 0.00 42.46 40.28 1p80 s ILE 205 CO 0.33 -0.22 0.23 0.12 -0.00 0.00 0.00 174.94 175.41 1p80 s PHE 206 N -3.95 2.64 0.23 1.37 2.19 0.16 -4.88 117.98 115.73 1p80 s PHE 206 Ca 0.32 -0.56 0.03 0.00 0.33 0.00 0.00 56.93 57.05 1p80 s PHE 206 Cb 0.07 -2.01 0.23 0.00 -1.31 0.00 0.00 43.02 40.00 1p80 s PHE 206 CO 0.08 0.11 1.55 0.74 1.83 0.00 0.00 175.22 179.53 1p80 h PHE 207 N 1.32 0.39 -2.47 10.12 -1.00 -1.89 -3.39 116.94 120.02 1p80 h PHE 207 Ca -0.42 -0.14 -0.53 0.00 2.81 0.00 0.00 57.97 59.68 1p80 h PHE 207 Cb 1.26 -0.07 -0.14 0.00 3.61 0.00 0.00 35.95 40.61 1p80 h PHE 207 CO 0.60 0.82 -0.72 0.96 -1.61 0.00 0.00 178.31 178.36 1p80 s ILE 208 N -3.81 2.00 -0.18 -0.55 -4.36 -1.26 -2.71 121.20 110.32 1p80 s ILE 208 Ca -0.05 -2.24 0.07 0.00 -0.26 0.00 0.00 60.65 58.17 1p80 s ILE 208 Cb 0.12 -2.33 -0.22 0.00 1.25 0.00 0.00 42.46 41.28 1p80 s ILE 208 CO 0.81 -0.40 0.11 0.00 0.24 0.00 0.00 174.94 175.70 1p80 n GLN 209 N -0.57 0.68 -5.23 0.37 6.02 -1.26 -4.56 117.38 112.82 1p80 n GLN 209 Ca -0.06 0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 1p80 n GLN 209 Cb 0.62 -1.60 -0.16 0.00 1.02 0.00 0.00 30.24 30.11 1p80 n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1p80 s ASP 210 N -6.23 3.01 0.57 1.08 -1.08 -1.26 -3.03 116.67 109.73 1p80 s ASP 210 Ca -0.20 -0.50 0.26 0.00 -0.52 0.00 0.00 52.55 51.59 1p80 s ASP 210 Cb 0.07 -0.86 1.57 0.00 -1.46 0.00 0.00 42.92 42.25 1p80 s ASP 210 CO 0.74 0.23 2.10 0.00 0.52 0.00 0.00 175.17 178.76 1p80 h ALA 211 N 6.11 1.92 -0.30 3.66 0.00 -1.72 -1.93 119.26 127.01 1p80 h ALA 211 Ca -0.31 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1p80 h ALA 211 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1p80 h ALA 211 CO 0.47 -0.29 0.27 1.25 0.00 0.00 0.00 179.25 180.95 1p80 h HIS 212 N 0.00 0.00 -0.08 0.00 6.17 -1.96 -0.48 115.15 118.80 1p80 h HIS 212 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1p80 h HIS 212 Cb 0.47 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1p80 h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1p80 n LYS 213 N -4.05 1.74 -0.15 5.26 4.76 -0.72 -4.49 118.16 120.50 1p80 n LYS 213 Ca 0.04 -1.09 -0.04 0.00 -2.87 0.00 0.00 58.31 54.35 1p80 n LYS 213 Cb 0.43 -1.45 0.05 0.00 -1.84 0.00 0.00 35.03 32.21 1p80 n LYS 213 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1p80 h PHE 214 N 2.49 0.39 -0.63 2.13 3.04 -1.22 -0.89 116.94 122.25 1p80 h PHE 214 Ca 0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1p80 h PHE 214 Cb 0.53 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 1p80 h PHE 214 CO 0.04 0.18 0.33 -1.35 -2.02 0.00 0.00 178.31 175.49 1p80 h PRO 215 N 0.43 0.88 0.07 6.41 0.11 -1.80 0.95 132.00 139.05 1p80 h PRO 215 Ca 0.22 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1p80 h PRO 215 Cb 0.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1p80 h PRO 215 CO -0.18 0.66 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.80 1p80 h ASP 216 N 0.88 -0.08 0.04 -2.05 3.45 -1.68 0.41 116.42 117.40 1p80 h ASP 216 Ca 0.22 -0.30 0.00 0.00 0.43 0.00 0.00 57.03 57.39 1p80 h ASP 216 Cb 0.05 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1p80 h ASP 216 CO -0.03 0.26 -0.06 0.15 -1.57 0.00 0.00 179.24 177.99 1p80 h PHE 217 N -0.43 -0.14 -0.75 4.55 3.04 -0.91 -0.42 116.94 121.87 1p80 h PHE 217 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1p80 h PHE 217 Cb 0.38 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.91 1p80 h PHE 217 CO 0.04 -0.09 0.45 0.28 -2.02 0.00 0.00 178.31 176.97 1p80 h VAL 218 N -0.12 1.21 -0.73 1.41 2.07 -0.82 -1.35 116.25 117.92 1p80 h VAL 218 Ca 0.01 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1p80 h VAL 218 Cb 0.12 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1p80 h VAL 218 CO -0.03 0.22 0.34 0.45 0.02 0.00 0.00 177.57 178.58 1p80 h HIS 219 N 1.03 1.04 -0.54 1.57 3.86 -0.72 -0.57 115.15 120.82 1p80 h HIS 219 Ca 0.27 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 1p80 h HIS 219 Cb -0.03 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 1p80 h HIS 219 CO -0.01 0.76 0.05 0.00 0.86 0.00 0.00 177.93 179.59 1p80 h ALA 220 N 1.34 1.07 0.08 2.45 0.00 -0.44 -3.21 119.26 120.55 1p80 h ALA 220 Ca 0.25 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1p80 h ALA 220 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1p80 h ALA 220 CO -0.03 0.59 -1.15 -0.24 0.00 0.00 0.00 179.25 178.42 1p80 h VAL 221 N 0.83 1.57 -3.76 0.00 3.04 -0.92 -2.32 116.25 114.70 1p80 h VAL 221 Ca 0.17 -3.17 -0.45 0.00 -1.01 0.00 0.00 66.70 62.24 1p80 h VAL 221 Cb 0.43 2.90 0.17 0.00 -2.01 0.00 0.00 31.29 32.77 1p80 h VAL 221 CO 0.01 0.92 0.16 -0.54 -1.01 0.00 0.00 177.57 177.11 1p80 s LYS 222 N -2.70 0.14 0.27 4.17 -0.14 -0.25 -4.76 119.74 116.48 1p80 s LYS 222 Ca -0.02 0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.87 1p80 s LYS 222 Cb 0.08 -1.70 -0.14 0.00 -1.68 0.00 0.00 37.83 34.40 1p80 s LYS 222 CO 0.86 -2.94 1.24 -2.30 -0.76 0.00 0.00 175.35 171.45 1p80 n PRO 223 N -4.33 1.75 -1.94 -1.68 -0.02 -1.25 -4.80 135.00 122.74 1p80 n PRO 223 Ca 0.05 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.75 1p80 n PRO 223 Cb 0.57 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1p80 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p80 s GLU 224 N -1.08 3.88 0.39 -0.52 2.02 -0.49 -4.72 118.70 118.18 1p80 s GLU 224 Ca 0.63 2.29 0.17 0.00 0.02 0.00 0.00 54.97 58.08 1p80 s GLU 224 Cb -0.67 -2.74 0.81 0.00 0.10 0.00 0.00 34.13 31.63 1p80 s GLU 224 CO 0.56 -0.62 1.83 -1.00 0.02 0.00 0.00 175.26 176.05 1p80 h PRO 225 N 2.58 0.00 -0.10 0.39 0.13 -1.90 0.35 132.00 133.45 1p80 h PRO 225 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1p80 h PRO 225 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1p80 h PRO 225 CO 0.62 0.35 -0.11 1.12 -0.23 0.00 0.00 178.00 179.74 1p80 h HIS 226 N 0.00 0.31 -0.00 1.56 2.07 -1.97 -3.38 115.15 113.73 1p80 h HIS 226 Ca -0.00 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.42 1p80 h HIS 226 Cb 0.70 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.62 1p80 h HIS 226 CO 0.00 0.69 -0.01 -2.67 -3.07 0.00 0.00 177.93 172.87 1p80 n TRP 227 N -4.63 0.00 -3.44 6.12 4.27 -1.19 -5.04 117.44 113.53 1p80 n TRP 227 Ca -0.07 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.34 1p80 n TRP 227 Cb 0.34 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.35 1p80 n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1p80 n ALA 228 N -0.06 -2.33 -2.99 -1.67 0.00 0.12 -5.00 120.51 108.59 1p80 n ALA 228 Ca 0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1p80 n ALA 228 Cb 0.05 -4.20 -0.12 0.00 0.00 0.00 0.00 19.45 15.18 1p80 n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p80 s ILE 229 N -3.45 0.04 0.20 0.00 1.01 -1.25 -4.67 121.20 113.08 1p80 s ILE 229 Ca 0.30 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1p80 s ILE 229 Cb -0.06 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 1p80 s ILE 229 CO 0.77 -0.17 0.36 -2.16 0.00 0.00 0.00 174.94 173.74 1p80 s PRO 230 N -0.53 3.48 0.01 2.79 0.04 -1.26 -1.39 135.00 138.14 1p80 s PRO 230 Ca -0.06 -0.48 -0.15 0.00 0.04 0.00 0.00 61.00 60.35 1p80 s PRO 230 Cb -0.04 -2.87 -0.08 0.00 0.04 0.00 0.00 34.50 31.55 1p80 s PRO 230 CO 0.00 0.42 0.95 0.37 0.04 0.00 0.00 177.00 178.79 1p80 h GLN 231 N 1.83 -0.51 -0.00 4.56 5.75 -1.98 -3.31 115.11 121.46 1p80 h GLN 231 Ca -0.49 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1p80 h GLN 231 Cb 1.20 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.86 1p80 h GLN 231 CO 0.67 -0.34 0.00 0.41 -2.65 0.00 0.00 178.83 176.92 1p80 n GLY 232 N -0.49 3.51 3.30 2.39 0.00 -1.26 -3.87 105.19 108.77 1p80 n GLY 232 Ca -0.07 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1p80 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p80 s GLN 233 N -1.51 1.57 0.00 1.61 -1.52 -1.26 -4.61 119.66 113.94 1p80 s GLN 233 Ca 0.09 -1.05 0.21 0.00 -1.95 0.00 0.00 55.36 52.66 1p80 s GLN 233 Cb 0.08 -1.73 0.90 0.00 -0.22 0.00 0.00 33.01 32.04 1p80 s GLN 233 CO 0.01 0.44 1.63 -1.13 -0.25 0.00 0.00 175.29 175.99 1p80 n SER 234 N 1.75 1.16 -3.84 5.90 3.41 -1.26 -4.69 113.62 116.05 1p80 n SER 234 Ca -0.17 -1.59 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1p80 n SER 234 Cb 0.53 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1p80 n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p80 n ALA 235 N -0.02 4.64 -3.19 7.33 0.00 -1.26 -4.68 120.51 123.33 1p80 n ALA 235 Ca 0.16 -3.71 -0.12 0.00 0.00 0.00 0.00 53.44 49.77 1p80 n ALA 235 Cb 0.25 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.09 1p80 n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1p80 s HIS 236 N 4.06 -0.34 0.20 0.00 -3.43 -1.26 -4.71 115.29 109.81 1p80 s HIS 236 Ca 0.51 0.19 -0.12 0.00 -0.80 0.00 0.00 55.06 54.84 1p80 s HIS 236 Cb 0.12 0.33 0.24 0.00 -1.43 0.00 0.00 32.58 31.84 1p80 s HIS 236 CO -0.01 -0.69 1.70 -0.44 -2.00 0.00 0.00 174.74 173.30 1p80 h ASP 237 N 2.52 -0.07 -0.37 7.38 5.19 -1.88 -2.91 116.42 126.28 1p80 h ASP 237 Ca -0.33 0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.14 1p80 h ASP 237 Cb 1.24 0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 1p80 h ASP 237 CO 0.43 -0.02 0.06 0.71 -3.12 0.00 0.00 179.24 177.31 1p80 h THR 238 N 0.20 1.21 -0.15 0.35 1.35 -1.95 0.19 112.91 114.13 1p80 h THR 238 Ca 0.28 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1p80 h THR 238 Cb 0.41 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1p80 h THR 238 CO -0.39 0.29 0.07 0.15 -0.25 0.00 0.00 175.52 175.38 1p80 h PHE 239 N 0.66 0.22 0.00 4.73 3.57 -1.21 -1.99 116.94 122.92 1p80 h PHE 239 Ca 0.14 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1p80 h PHE 239 Cb 0.32 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1p80 h PHE 239 CO 0.01 0.27 -0.39 -1.49 -2.23 0.00 0.00 178.31 174.48 1p80 h TRP 240 N 0.10 0.00 0.03 0.41 4.06 -1.45 -1.50 115.95 117.60 1p80 h TRP 240 Ca 0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 1p80 h TRP 240 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1p80 h TRP 240 CO -0.02 0.39 -0.01 0.22 -3.56 0.00 0.00 178.44 175.46 1p80 h ASP 241 N 0.00 -0.03 -0.12 -3.49 3.58 -0.49 -0.07 116.42 115.80 1p80 h ASP 241 Ca -0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1p80 h ASP 241 Cb 0.98 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1p80 h ASP 241 CO 0.05 0.09 0.08 0.22 -2.88 0.00 0.00 179.24 176.80 1p80 h TYR 242 N -0.15 0.15 -0.59 0.28 5.03 -1.08 -2.67 116.97 117.93 1p80 h TYR 242 Ca -0.00 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.38 1p80 h TYR 242 Cb 0.14 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.31 1p80 h TYR 242 CO -0.04 0.11 0.27 0.28 -1.32 0.00 0.00 178.16 177.47 1p80 h VAL 243 N 0.14 0.87 0.00 1.81 2.07 -1.19 -0.55 116.25 119.39 1p80 h VAL 243 Ca 0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1p80 h VAL 243 Cb 0.00 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1p80 h VAL 243 CO -0.01 0.09 -0.10 0.77 0.02 0.00 0.00 177.57 178.34 1p80 h SER 244 N 0.49 0.00 -0.01 0.57 4.64 -0.68 -2.40 113.55 116.17 1p80 h SER 244 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1p80 h SER 244 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1p80 h SER 244 CO -0.24 0.10 -0.64 0.18 -0.87 0.00 0.00 176.83 175.36 1p80 n LEU 245 N -3.54 1.44 -3.52 5.97 4.77 -0.73 -4.74 117.00 116.65 1p80 n LEU 245 Ca -0.02 -0.64 -0.28 0.00 -0.03 0.00 0.00 56.01 55.04 1p80 n LEU 245 Cb 0.23 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1p80 n LEU 245 CO 0.29 0.30 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.26 1p80 s GLN 246 N -2.51 0.97 0.66 3.23 -1.52 -0.29 -5.00 119.66 115.19 1p80 s GLN 246 Ca 0.12 -1.91 0.42 0.00 -1.95 0.00 0.00 55.36 52.04 1p80 s GLN 246 Cb 0.15 -1.71 2.31 0.00 -0.22 0.00 0.00 33.01 33.54 1p80 s GLN 246 CO 0.63 -1.27 2.34 -1.00 -0.25 0.00 0.00 175.29 175.75 1p80 h PRO 247 N 6.32 0.00 -0.37 2.91 0.13 -1.85 -1.37 132.00 137.77 1p80 h PRO 247 Ca 0.13 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.37 1p80 h PRO 247 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1p80 h PRO 247 CO 0.38 0.00 0.31 1.05 -0.23 0.00 0.00 178.00 179.51 1p80 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -1.53 114.58 116.14 1p80 h GLU 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p80 h GLU 248 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1p80 h GLU 248 CO -0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1p80 h THR 249 N 0.00 0.00 -0.81 -1.06 1.35 -1.03 -3.36 112.91 108.00 1p80 h THR 249 Ca 0.18 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1p80 h THR 249 Cb 0.80 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 1p80 h THR 249 CO -0.00 0.00 0.52 -0.07 -0.25 0.00 0.00 175.52 175.72 1p80 h LEU 250 N 0.00 0.94 0.50 3.87 3.38 -1.48 -1.47 115.31 121.06 1p80 h LEU 250 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1p80 h LEU 250 Cb 0.48 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1p80 h LEU 250 CO 0.00 0.70 -0.30 -0.74 0.09 0.00 0.00 178.44 178.19 1p80 h HIS 251 N 1.11 -0.79 0.00 1.13 2.76 -1.80 0.29 115.15 117.84 1p80 h HIS 251 Ca 0.29 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1p80 h HIS 251 Cb -0.10 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1p80 h HIS 251 CO 0.00 -0.46 -0.30 -0.97 -1.30 0.00 0.00 177.93 174.89 1p80 h ASN 252 N -0.76 0.00 -0.75 3.26 -0.00 -1.72 -2.40 115.58 113.21 1p80 h ASN 252 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.20 1p80 h ASN 252 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.91 1p80 h ASN 252 CO 0.06 0.30 0.31 0.58 -0.00 0.00 0.00 177.43 178.69 1p80 h VAL 253 N 0.00 1.25 -0.36 2.57 2.07 -0.88 -1.07 116.25 119.82 1p80 h VAL 253 Ca -0.00 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1p80 h VAL 253 Cb 0.57 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1p80 h VAL 253 CO 0.04 0.32 0.12 0.24 0.02 0.00 0.00 177.57 178.31 1p80 h MET 254 N 1.08 0.26 -0.68 1.57 2.86 -0.45 -0.25 114.93 119.33 1p80 h MET 254 Ca 0.25 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1p80 h MET 254 Cb 0.20 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1p80 h MET 254 CO -0.02 0.17 0.41 -1.49 1.06 0.00 0.00 176.91 177.04 1p80 h TRP 255 N 0.27 0.90 -0.42 -0.22 4.06 -1.18 -2.01 115.95 117.34 1p80 h TRP 255 Ca 0.17 -0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.03 1p80 h TRP 255 Cb 0.15 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 1p80 h TRP 255 CO -0.15 0.61 -0.08 0.00 -3.56 0.00 0.00 178.44 175.26 1p80 h ALA 256 N 1.21 1.07 0.00 1.49 0.00 -0.72 -2.63 119.26 119.68 1p80 h ALA 256 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1p80 h ALA 256 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1p80 h ALA 256 CO -0.05 0.57 0.00 0.52 0.00 0.00 0.00 179.25 180.30 1p80 h MET 257 N 0.67 0.00 -7.66 0.00 2.86 -0.88 -3.31 114.93 106.60 1p80 h MET 257 Ca 0.12 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.33 1p80 h MET 257 Cb 0.53 0.00 0.18 0.00 0.06 0.00 0.00 31.60 32.37 1p80 h MET 257 CO 0.03 0.00 0.30 -1.54 1.06 0.00 0.00 176.91 176.77 1p80 s SER 258 N -5.69 2.06 0.00 1.22 1.04 -0.77 -4.12 113.70 107.44 1p80 s SER 258 Ca 0.04 0.36 0.14 0.00 0.48 0.00 0.00 55.95 56.97 1p80 s SER 258 Cb 0.08 -0.44 0.69 0.00 0.10 0.00 0.00 66.02 66.45 1p80 s SER 258 CO 0.57 -3.40 1.39 0.47 0.98 0.00 0.00 173.24 173.26 1p80 n ASP 259 N -4.23 0.00 0.22 7.02 10.43 -1.26 -1.65 116.55 127.09 1p80 n ASP 259 Ca 0.15 0.16 0.07 0.00 2.57 0.00 0.00 54.79 57.75 1p80 n ASP 259 Cb 0.59 -0.33 0.60 0.00 1.84 0.00 0.00 41.12 43.83 1p80 n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1p80 h ARG 260 N 0.00 0.07 0.00 -1.24 2.47 -1.87 -1.93 114.38 111.88 1p80 h ARG 260 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1p80 h ARG 260 Cb 0.15 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1p80 h ARG 260 CO 0.00 0.06 0.00 0.41 0.56 0.00 0.00 179.97 181.00 1p80 n GLY 261 N -1.48 -0.91 2.23 0.04 0.00 -0.66 -4.08 105.19 100.34 1p80 n GLY 261 Ca -0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1p80 n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p80 n ILE 262 N -1.11 -0.19 -1.77 -0.61 -5.35 -0.72 -1.67 119.36 107.93 1p80 n ILE 262 Ca 0.16 -4.34 -0.37 0.00 -0.27 0.00 0.00 62.75 57.93 1p80 n ILE 262 Cb 0.13 -1.38 0.06 0.00 -1.74 0.00 0.00 39.64 36.71 1p80 n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1p80 s PRO 263 N -1.76 2.71 0.24 6.28 0.04 -1.26 -0.43 135.00 140.82 1p80 s PRO 263 Ca 0.37 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.52 1p80 s PRO 263 Cb 0.23 -1.95 0.28 0.00 0.04 0.00 0.00 34.50 33.10 1p80 s PRO 263 CO -0.09 -1.48 1.62 -0.09 0.04 0.00 0.00 177.00 176.99 1p80 h ARG 264 N 0.78 0.46 -2.76 4.56 9.65 -1.38 -3.39 114.38 122.30 1p80 h ARG 264 Ca -0.51 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.13 1p80 h ARG 264 Cb 1.33 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.78 1p80 h ARG 264 CO 0.54 0.80 0.25 0.45 2.80 0.00 0.00 179.97 184.81 1p80 s SER 265 N -6.86 -0.55 0.58 -3.80 0.15 -1.26 -4.94 113.70 97.01 1p80 s SER 265 Ca -0.06 0.10 0.35 0.00 0.70 0.00 0.00 55.95 57.03 1p80 s SER 265 Cb 0.13 0.56 1.76 0.00 -1.71 0.00 0.00 66.02 66.76 1p80 s SER 265 CO 0.81 -0.87 2.15 1.88 1.20 0.00 0.00 173.24 178.41 1p80 h TYR 266 N 2.14 0.00 0.00 3.44 0.05 -1.90 -1.45 116.97 119.24 1p80 h TYR 266 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1p80 h TYR 266 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 1p80 h TYR 266 CO 0.25 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.41 1p80 h ARG 267 N 0.00 0.00 -0.72 4.88 3.08 -1.96 -3.31 114.38 116.35 1p80 h ARG 267 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1p80 h ARG 267 Cb 0.27 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.91 1p80 h ARG 267 CO 0.01 0.00 -0.80 0.25 -1.07 0.00 0.00 179.97 178.36 1p80 n THR 268 N -2.98 2.52 -4.22 2.04 -2.24 -0.55 -4.36 114.28 104.50 1p80 n THR 268 Ca 0.02 -4.17 -0.14 0.00 -2.27 0.00 0.00 64.05 57.49 1p80 n THR 268 Cb 0.35 -1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 1p80 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p80 s MET 269 N -3.58 0.97 0.57 -0.78 0.23 -1.25 -1.46 119.30 114.00 1p80 s MET 269 Ca 0.50 -1.37 -0.04 0.00 -1.03 0.00 0.00 55.69 53.76 1p80 s MET 269 Cb 0.41 -0.53 0.01 0.00 -1.53 0.00 0.00 34.83 33.19 1p80 s MET 269 CO 0.03 0.06 0.85 -1.21 -2.03 0.00 0.00 175.02 172.73 1p80 s GLU 270 N -3.56 2.85 0.03 3.16 2.02 -1.26 -4.24 118.70 117.70 1p80 s GLU 270 Ca 0.13 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 54.97 1p80 s GLU 270 Cb 0.02 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 1p80 s GLU 270 CO -0.01 -0.66 -0.11 0.20 0.02 0.00 0.00 175.26 174.70 1p80 s GLY 271 N -4.32 0.64 -0.02 -1.39 0.00 -0.68 -4.21 107.32 97.34 1p80 s GLY 271 Ca 0.54 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 1p80 s GLY 271 CO 0.43 -0.67 0.16 -1.36 0.00 0.00 0.00 173.10 171.65 1p80 s PHE 272 N -0.77 -0.05 -0.45 1.90 0.08 0.53 -0.31 117.98 118.91 1p80 s PHE 272 Ca -0.00 0.09 0.23 0.00 0.12 0.00 0.00 56.93 57.37 1p80 s PHE 272 Cb -0.07 -0.00 0.34 0.00 -0.57 0.00 0.00 43.02 42.71 1p80 s PHE 272 CO 0.01 -0.22 1.52 0.78 -0.10 0.00 0.00 175.22 177.21 1p80 h GLY 273 N 4.81 0.00 0.00 4.36 0.00 -1.57 -1.67 103.07 109.01 1p80 h GLY 273 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1p80 h GLY 273 CO 0.40 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.33 1p80 n ILE 274 N -2.90 0.00 -1.87 2.60 5.41 -1.26 -4.83 119.36 116.51 1p80 n ILE 274 Ca 0.03 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.45 1p80 n ILE 274 Cb 0.52 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.48 1p80 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p80 s HIS 275 N 0.00 2.67 -0.19 1.39 3.76 -1.26 -4.89 115.29 116.76 1p80 s HIS 275 Ca 0.00 1.55 -0.28 0.00 -0.15 0.00 0.00 55.06 56.17 1p80 s HIS 275 Cb 0.00 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.52 1p80 s HIS 275 CO 0.00 -1.60 0.99 0.99 -0.85 0.00 0.00 174.74 174.27 1p80 s THR 276 N -2.26 4.74 0.06 1.30 2.01 -1.26 -4.56 115.64 115.67 1p80 s THR 276 Ca 0.67 1.95 0.01 0.00 0.31 0.00 0.00 61.69 64.64 1p80 s THR 276 Cb -0.20 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.03 1p80 s THR 276 CO 0.39 -0.11 0.06 0.49 -0.69 0.00 0.00 174.62 174.76 1p80 n PHE 277 N 5.87 -1.73 -4.44 4.92 3.72 0.31 -4.27 117.46 121.84 1p80 n PHE 277 Ca 0.10 -0.26 -0.23 0.00 -0.05 0.00 0.00 57.45 57.01 1p80 n PHE 277 Cb 0.47 -0.05 -0.13 0.00 -0.94 0.00 0.00 39.48 38.82 1p80 n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1p80 s ARG 278 N -2.26 1.13 -0.10 -1.08 0.52 -0.31 -1.19 118.95 115.64 1p80 s ARG 278 Ca 0.04 -0.90 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 1p80 s ARG 278 Cb -0.00 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.22 1p80 s ARG 278 CO 0.03 0.30 0.03 -0.51 0.02 0.00 0.00 175.30 175.17 1p80 s LEU 279 N -1.30 3.73 -0.14 2.53 1.43 0.02 -0.87 118.68 124.09 1p80 s LEU 279 Ca 0.04 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1p80 s LEU 279 Cb -0.09 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1p80 s LEU 279 CO 0.02 0.36 -0.17 -0.63 0.23 0.00 0.00 176.35 176.15 1p80 s ILE 280 N -0.74 1.74 0.67 -0.59 -1.09 0.03 -1.25 121.20 119.96 1p80 s ILE 280 Ca 0.12 -0.77 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1p80 s ILE 280 Cb -0.12 -1.58 0.12 0.00 -1.58 0.00 0.00 42.46 39.30 1p80 s ILE 280 CO 0.02 0.49 0.92 0.54 -1.23 0.00 0.00 174.94 175.68 1p80 s ASN 281 N 1.09 4.62 0.55 3.58 2.20 -0.84 -1.62 114.94 124.52 1p80 s ASN 281 Ca -0.03 -0.61 0.26 0.00 -0.94 0.00 0.00 52.86 51.55 1p80 s ASN 281 Cb -0.14 0.18 1.58 0.00 -2.00 0.00 0.00 41.25 40.87 1p80 s ASN 281 CO -0.05 -1.68 2.16 0.00 -2.94 0.00 0.00 177.10 174.60 1p80 h ALA 282 N -0.25 1.51 -0.00 3.54 0.00 -1.88 -0.24 119.26 121.94 1p80 h ALA 282 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1p80 h ALA 282 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1p80 h ALA 282 CO 0.40 0.07 -0.03 0.39 0.00 0.00 0.00 179.25 180.08 1p80 n GLU 283 N -3.90 0.40 -0.36 0.00 4.71 -1.26 -4.79 120.64 115.45 1p80 n GLU 283 Ca -0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1p80 n GLU 283 Cb 0.15 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1p80 n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p80 n GLY 284 N 1.32 0.74 3.73 0.62 0.00 -0.10 -5.05 105.19 106.44 1p80 n GLY 284 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1p80 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p80 s LYS 285 N -0.64 4.62 -0.14 1.61 2.20 -1.26 -4.79 119.74 121.33 1p80 s LYS 285 Ca 0.00 1.56 -0.07 0.00 -0.36 0.00 0.00 55.97 57.09 1p80 s LYS 285 Cb 0.00 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1p80 s LYS 285 CO 0.00 0.08 0.13 0.00 -0.36 0.00 0.00 175.35 175.20 1p80 s ALA 286 N 0.20 3.77 -0.05 3.13 0.00 -1.26 -1.99 121.76 125.56 1p80 s ALA 286 Ca 0.50 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1p80 s ALA 286 Cb -0.25 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1p80 s ALA 286 CO 0.31 0.48 -0.22 0.99 0.00 0.00 0.00 175.76 177.31 1p80 s THR 287 N -0.59 1.84 0.34 0.00 2.01 -0.38 -4.26 115.64 114.61 1p80 s THR 287 Ca 0.12 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.91 1p80 s THR 287 Cb -0.12 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.73 1p80 s THR 287 CO 0.02 0.52 1.06 -0.36 -0.69 0.00 0.00 174.62 175.17 1p80 s PHE 288 N -0.07 3.42 -0.01 4.92 0.08 0.25 -0.80 117.98 125.77 1p80 s PHE 288 Ca -0.04 1.68 -0.01 0.00 0.12 0.00 0.00 56.93 58.68 1p80 s PHE 288 Cb -0.13 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1p80 s PHE 288 CO 0.03 -0.54 0.03 0.54 -0.10 0.00 0.00 175.22 175.18 1p80 s VAL 289 N -1.44 0.00 -0.08 -0.44 0.11 -0.34 -1.27 120.40 116.94 1p80 s VAL 289 Ca 0.52 -0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.59 1p80 s VAL 289 Cb -0.26 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1p80 s VAL 289 CO 0.33 -0.00 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.77 1p80 s ARG 290 N -0.00 2.87 0.01 1.54 0.52 -0.46 -0.53 118.95 122.90 1p80 s ARG 290 Ca -0.00 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 1p80 s ARG 290 Cb -0.00 -2.35 -0.06 0.00 0.52 0.00 0.00 34.95 33.06 1p80 s ARG 290 CO 0.00 0.34 0.41 -0.06 0.02 0.00 0.00 175.30 176.01 1p80 s PHE 291 N -0.02 3.72 0.05 -0.53 0.08 -1.26 -1.30 117.98 118.72 1p80 s PHE 291 Ca -0.06 0.99 0.04 0.00 0.12 0.00 0.00 56.93 58.01 1p80 s PHE 291 Cb -0.15 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1p80 s PHE 291 CO 0.05 0.64 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.68 1p80 s HIS 292 N -1.10 0.99 -0.11 0.36 3.76 -0.06 -1.53 115.29 117.61 1p80 s HIS 292 Ca 0.24 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.75 1p80 s HIS 292 Cb -0.17 -0.58 0.01 0.00 1.11 0.00 0.00 32.58 32.96 1p80 s HIS 292 CO 0.14 0.00 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.26 1p80 s TRP 293 N -1.15 2.23 -0.18 1.40 0.52 0.58 -0.61 118.94 121.72 1p80 s TRP 293 Ca -0.04 -0.99 -0.05 0.00 0.02 0.00 0.00 56.10 55.04 1p80 s TRP 293 Cb -0.09 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1p80 s TRP 293 CO 0.01 -0.45 0.01 0.21 0.02 0.00 0.00 176.95 176.75 1p80 s LYS 294 N 0.68 3.73 -0.16 4.98 2.20 0.06 -1.69 119.74 129.54 1p80 s LYS 294 Ca -0.12 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 1p80 s LYS 294 Cb -0.16 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1p80 s LYS 294 CO 0.03 0.15 1.28 -1.25 -0.36 0.00 0.00 175.35 175.20 1p80 s PRO 295 N 0.66 4.23 0.02 4.03 0.04 -1.26 -0.22 135.00 142.49 1p80 s PRO 295 Ca 0.00 1.68 0.19 0.00 0.04 0.00 0.00 61.00 62.92 1p80 s PRO 295 Cb -0.14 -3.78 0.82 0.00 0.04 0.00 0.00 34.50 31.44 1p80 s PRO 295 CO 0.02 -0.72 1.62 1.28 0.04 0.00 0.00 177.00 179.24 1p80 n LEU 296 N 6.65 0.05 -0.30 -3.56 4.77 -0.42 -1.92 117.00 122.27 1p80 n LEU 296 Ca 0.14 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.77 1p80 n LEU 296 Cb 0.45 -0.50 0.48 0.00 -2.33 0.00 0.00 43.42 41.52 1p80 n LEU 296 CO 0.56 -0.19 0.77 0.00 -1.33 0.00 0.00 177.39 177.20 1p80 n ALA 297 N -1.52 2.85 0.00 -1.18 0.00 -1.26 -4.95 120.51 114.45 1p80 n ALA 297 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1p80 n ALA 297 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1p80 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p80 n GLY 298 N 1.26 0.18 3.73 0.00 0.00 -0.81 -3.70 105.19 105.85 1p80 n GLY 298 Ca 0.15 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1p80 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p80 s LYS 299 N -1.65 4.22 -0.22 1.61 1.02 -1.26 -4.23 119.74 119.22 1p80 s LYS 299 Ca 0.00 0.01 -0.19 0.00 0.02 0.00 0.00 55.97 55.81 1p80 s LYS 299 Cb 0.00 -3.42 0.06 0.00 -0.52 0.00 0.00 37.83 33.95 1p80 s LYS 299 CO 0.00 0.27 0.58 0.00 -0.92 0.00 0.00 175.35 175.29 1p80 s ALA 300 N 0.39 -1.47 0.16 5.17 0.00 -0.54 -4.89 121.76 120.59 1p80 s ALA 300 Ca 0.14 1.74 0.03 0.00 0.00 0.00 0.00 51.96 53.87 1p80 s ALA 300 Cb -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1p80 s ALA 300 CO 0.02 -0.29 -0.04 -1.12 0.00 0.00 0.00 175.76 174.33 1p80 s SER 301 N 0.57 1.48 0.95 0.00 0.01 -1.26 -1.11 113.70 114.33 1p80 s SER 301 Ca -0.02 -1.11 -0.10 0.00 1.31 0.00 0.00 55.95 56.03 1p80 s SER 301 Cb -0.05 0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.39 1p80 s SER 301 CO -0.03 -0.47 0.89 0.18 0.41 0.00 0.00 173.24 174.22 1p80 n LEU 302 N -0.23 0.00 -4.60 2.44 4.77 0.43 -4.63 117.00 115.19 1p80 n LEU 302 Ca -0.08 -1.08 -0.29 0.00 -0.03 0.00 0.00 56.01 54.53 1p80 n LEU 302 Cb 0.62 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 1p80 n LEU 302 CO 0.33 -1.11 -0.40 0.68 -1.33 0.00 0.00 177.39 175.56 1p80 s VAL 303 N -2.89 3.46 0.17 4.08 -7.23 -1.26 -4.92 120.40 111.82 1p80 s VAL 303 Ca 0.52 -1.30 -0.19 0.00 -1.81 0.00 0.00 61.98 59.20 1p80 s VAL 303 Cb -0.02 -2.65 0.10 0.00 0.56 0.00 0.00 36.38 34.37 1p80 s VAL 303 CO 0.36 0.06 1.63 -0.25 -0.31 0.00 0.00 175.10 176.60 1p80 h TRP 304 N 3.41 -0.50 -0.91 2.82 2.91 -1.97 -0.90 115.95 120.80 1p80 h TRP 304 Ca -0.48 0.05 0.06 0.00 1.13 0.00 0.00 58.89 59.65 1p80 h TRP 304 Cb 1.17 0.28 -0.06 0.00 -0.51 0.00 0.00 29.16 30.04 1p80 h TRP 304 CO 0.61 -0.28 0.58 0.22 -1.03 0.00 0.00 178.44 178.54 1p80 h ASP 305 N -0.13 0.91 -0.21 2.65 -0.00 -1.99 0.52 116.42 118.17 1p80 h ASP 305 Ca 0.19 0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 57.22 1p80 h ASP 305 Cb 0.43 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.57 1p80 h ASP 305 CO -0.48 0.58 0.04 -0.08 -0.00 0.00 0.00 179.24 179.30 1p80 h GLU 306 N 1.05 0.34 -0.51 0.28 4.81 -1.86 -1.43 114.58 117.26 1p80 h GLU 306 Ca 0.40 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1p80 h GLU 306 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1p80 h GLU 306 CO -0.17 0.48 0.29 0.00 -0.73 0.00 0.00 179.01 178.87 1p80 h ALA 307 N 0.85 0.65 -0.47 2.92 0.00 -0.66 0.40 119.26 122.94 1p80 h ALA 307 Ca 0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1p80 h ALA 307 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p80 h ALA 307 CO 0.00 0.16 -0.13 0.37 0.00 0.00 0.00 179.25 179.65 1p80 h GLN 308 N 0.67 0.93 -0.15 0.00 4.15 -0.86 -2.19 115.11 117.67 1p80 h GLN 308 Ca 0.18 -0.36 -0.09 0.00 0.77 0.00 0.00 58.65 59.14 1p80 h GLN 308 Cb 0.03 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1p80 h GLN 308 CO -0.03 1.02 -0.33 -0.22 -1.93 0.00 0.00 178.83 177.34 1p80 h LYS 309 N 0.77 0.29 0.00 1.69 3.64 -1.03 -2.20 116.57 119.73 1p80 h LYS 309 Ca 0.12 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1p80 h LYS 309 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1p80 h LYS 309 CO 0.05 0.59 -0.25 1.25 -2.27 0.00 0.00 179.45 178.82 1p80 h LEU 310 N 0.25 0.00 -2.02 5.20 5.85 -0.65 -0.79 115.31 123.16 1p80 h LEU 310 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1p80 h LEU 310 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1p80 h LEU 310 CO 0.05 0.25 -0.08 0.71 -0.34 0.00 0.00 178.44 179.03 1p80 h THR 311 N 0.00 0.41 0.07 1.05 1.35 -0.76 0.64 112.91 115.67 1p80 h THR 311 Ca -0.00 -0.44 -0.32 0.00 -0.55 0.00 0.00 66.41 65.10 1p80 h THR 311 Cb 0.63 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1p80 h THR 311 CO 0.03 0.08 -1.74 0.61 -0.25 0.00 0.00 175.52 174.26 1p80 n GLY 312 N -0.66 -0.66 0.20 5.82 0.00 -0.42 -3.46 105.19 106.01 1p80 n GLY 312 Ca -0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1p80 n GLY 312 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p80 h ARG 313 N -0.39 0.44 -1.38 1.61 2.47 -1.08 -3.40 114.38 112.65 1p80 h ARG 313 Ca -0.41 -0.28 -0.21 0.00 -1.26 0.00 0.00 59.98 57.83 1p80 h ARG 313 Cb 1.73 0.03 -0.23 0.00 -1.65 0.00 0.00 29.97 29.85 1p80 h ARG 313 CO -0.05 0.88 -0.56 0.34 0.56 0.00 0.00 179.97 181.14 1p80 s ASP 314 N -6.91 -0.48 0.30 7.04 2.15 0.20 -5.00 116.67 113.96 1p80 s ASP 314 Ca -0.06 -1.34 0.21 0.00 0.43 0.00 0.00 52.55 51.79 1p80 s ASP 314 Cb 0.12 1.36 1.10 0.00 -0.30 0.00 0.00 42.92 45.20 1p80 s ASP 314 CO 0.82 -0.18 1.66 -0.81 -0.17 0.00 0.00 175.17 176.49 1p80 n PRO 315 N 4.01 0.15 -0.84 4.34 -0.04 -1.22 -1.90 135.00 139.49 1p80 n PRO 315 Ca 0.13 0.58 -0.03 0.00 -0.04 0.00 0.00 63.50 64.15 1p80 n PRO 315 Cb 0.52 -1.93 0.26 0.00 -0.04 0.00 0.00 33.50 32.32 1p80 n PRO 315 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1p80 n ASP 316 N -2.23 3.93 -0.20 3.54 8.00 -1.26 -0.48 116.55 127.86 1p80 n ASP 316 Ca -0.01 -3.34 -0.04 0.00 0.71 0.00 0.00 54.79 52.11 1p80 n ASP 316 Cb 0.08 -0.68 0.06 0.00 -0.02 0.00 0.00 41.12 40.56 1p80 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1p80 h PHE 317 N 1.90 0.63 -0.06 1.24 3.04 -1.73 -0.38 116.94 121.59 1p80 h PHE 317 Ca 0.22 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 62.00 1p80 h PHE 317 Cb 2.00 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 40.30 1p80 h PHE 317 CO 1.05 0.35 -0.76 0.45 -2.02 0.00 0.00 178.31 177.39 1p80 h HIS 318 N 0.67 0.49 -0.28 0.41 3.86 -1.87 -1.30 115.15 117.13 1p80 h HIS 318 Ca 0.24 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1p80 h HIS 318 Cb 0.06 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1p80 h HIS 318 CO -0.07 0.99 0.06 -0.09 0.86 0.00 0.00 177.93 179.69 1p80 h ARG 319 N 0.24 0.45 -0.13 2.45 2.43 -1.81 -1.93 114.38 116.08 1p80 h ARG 319 Ca -0.03 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1p80 h ARG 319 Cb 1.34 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1p80 h ARG 319 CO 0.13 0.54 0.07 -0.09 -1.51 0.00 0.00 179.97 179.11 1p80 h ARG 320 N 0.29 0.18 -0.67 0.20 2.43 -1.05 -2.12 114.38 113.63 1p80 h ARG 320 Ca 0.09 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1p80 h ARG 320 Cb 0.30 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1p80 h ARG 320 CO 0.00 0.21 0.30 1.49 -1.51 0.00 0.00 179.97 180.46 1p80 h GLU 321 N 0.10 0.97 -0.07 0.20 4.22 -1.18 0.13 114.58 118.95 1p80 h GLU 321 Ca 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 59.36 59.32 1p80 h GLU 321 Cb 0.08 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1p80 h GLU 321 CO -0.01 0.77 -0.01 1.25 -2.18 0.00 0.00 179.01 178.83 1p80 h LEU 322 N 0.96 0.14 -0.15 1.64 5.85 -1.27 -0.30 115.31 122.17 1p80 h LEU 322 Ca 0.23 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1p80 h LEU 322 Cb 0.14 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1p80 h LEU 322 CO -0.03 0.46 0.10 -0.25 -0.34 0.00 0.00 178.44 178.38 1p80 h TRP 323 N -0.19 0.20 0.00 1.25 2.91 -0.99 -2.12 115.95 117.01 1p80 h TRP 323 Ca 0.02 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.95 1p80 h TRP 323 Cb 0.40 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 1p80 h TRP 323 CO 0.05 0.15 -0.45 0.93 -1.03 0.00 0.00 178.44 178.09 1p80 h GLU 324 N 0.19 0.00 -0.14 2.65 5.08 -0.75 -1.27 114.58 120.34 1p80 h GLU 324 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1p80 h GLU 324 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1p80 h GLU 324 CO -0.01 0.45 0.05 0.00 -1.00 0.00 0.00 179.01 178.50 1p80 h ALA 325 N 1.55 0.18 -0.61 3.43 0.00 -0.74 -0.88 119.26 122.19 1p80 h ALA 325 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1p80 h ALA 325 Cb 0.81 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1p80 h ALA 325 CO 0.06 -0.22 0.32 0.82 0.00 0.00 0.00 179.25 180.23 1p80 h ILE 326 N 0.06 1.20 0.00 0.00 2.04 -1.16 0.39 117.51 120.04 1p80 h ILE 326 Ca 0.05 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1p80 h ILE 326 Cb 0.19 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1p80 h ILE 326 CO -0.00 0.22 -0.19 -0.33 0.00 0.00 0.00 178.15 177.85 1p80 h GLU 327 N 0.83 0.00 0.00 2.37 5.08 -1.03 -2.51 114.58 119.32 1p80 h GLU 327 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1p80 h GLU 327 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1p80 h GLU 327 CO -0.03 0.19 -0.08 0.00 -1.00 0.00 0.00 179.01 178.09 1p80 h ALA 328 N 1.81 0.95 0.00 3.43 0.00 -0.79 -2.59 119.26 122.08 1p80 h ALA 328 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p80 h ALA 328 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p80 h ALA 328 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1p80 n GLY 329 N 1.24 0.75 2.43 0.00 0.00 -0.82 -4.47 105.19 104.33 1p80 n GLY 329 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1p80 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p80 n ASP 330 N 0.00 7.83 -4.66 1.61 10.43 0.06 -4.98 116.55 126.84 1p80 n ASP 330 Ca 0.00 -3.03 -0.48 0.00 2.57 0.00 0.00 54.79 53.85 1p80 n ASP 330 Cb 0.00 -1.38 -0.05 0.00 1.84 0.00 0.00 41.12 41.54 1p80 n ASP 330 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1p80 n PHE 331 N 1.93 2.11 -1.68 1.24 0.99 -1.26 -4.43 117.46 116.36 1p80 n PHE 331 Ca 0.62 0.32 -0.49 0.00 -0.00 0.00 0.00 57.45 57.90 1p80 n PHE 331 Cb 0.32 -2.51 -0.05 0.00 -1.00 0.00 0.00 39.48 36.24 1p80 n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1p80 n PRO 332 N 3.78 2.13 -5.28 -1.08 -0.02 -1.24 -4.79 135.00 128.51 1p80 n PRO 332 Ca 0.18 0.78 -0.31 0.00 -2.02 0.00 0.00 63.50 62.13 1p80 n PRO 332 Cb 0.26 -2.62 -0.16 0.00 -0.02 0.00 0.00 33.50 30.96 1p80 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p80 s GLU 333 N 4.04 2.37 0.01 -0.52 2.02 -1.26 -1.01 118.70 124.35 1p80 s GLU 333 Ca 0.93 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 55.03 1p80 s GLU 333 Cb -0.71 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 1p80 s GLU 333 CO 0.52 0.45 -0.07 0.71 0.02 0.00 0.00 175.26 176.89 1p80 s TYR 334 N -0.33 0.61 -0.23 1.61 2.02 -0.14 -1.30 117.35 119.60 1p80 s TYR 334 Ca 0.02 -0.23 -0.09 0.00 -0.37 0.00 0.00 57.07 56.40 1p80 s TYR 334 Cb -0.12 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.01 1p80 s TYR 334 CO 0.02 -0.03 0.13 -2.00 -1.57 0.00 0.00 175.55 172.10 1p80 s GLU 335 N -0.60 3.99 0.08 -0.62 2.12 0.69 -0.54 118.70 123.82 1p80 s GLU 335 Ca -0.01 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1p80 s GLU 335 Cb -0.05 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 1p80 s GLU 335 CO 0.00 0.06 0.97 -1.17 -0.54 0.00 0.00 175.26 174.59 1p80 s LEU 336 N 1.01 4.47 0.06 2.70 2.96 0.25 -0.76 118.68 129.36 1p80 s LEU 336 Ca 0.06 1.77 0.02 0.00 -0.22 0.00 0.00 54.13 55.76 1p80 s LEU 336 Cb -0.14 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1p80 s LEU 336 CO 0.04 -0.12 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.05 1p80 s GLY 337 N 0.26 0.56 -0.07 7.98 0.00 0.21 -0.53 107.32 115.74 1p80 s GLY 337 Ca 0.48 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.31 1p80 s GLY 337 CO 0.29 -1.02 -0.22 -1.36 0.00 0.00 0.00 173.10 170.80 1p80 s PHE 338 N -2.17 2.23 -0.31 1.90 2.99 -0.10 -0.88 117.98 121.64 1p80 s PHE 338 Ca -0.03 -0.76 -0.17 0.00 0.00 0.00 0.00 56.93 55.96 1p80 s PHE 338 Cb -0.05 -1.49 -0.02 0.00 0.00 0.00 0.00 43.02 41.47 1p80 s PHE 338 CO -0.02 -0.28 0.47 -0.65 -0.00 0.00 0.00 175.22 174.74 1p80 s GLN 339 N 0.12 3.79 -0.13 0.44 -0.21 -0.42 -0.41 119.66 122.83 1p80 s GLN 339 Ca -0.10 -0.05 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 1p80 s GLN 339 Cb -0.15 -3.74 -0.02 0.00 1.00 0.00 0.00 33.01 30.09 1p80 s GLN 339 CO 0.05 -0.49 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.14 1p80 s LEU 340 N 2.26 3.07 -0.07 2.90 2.01 -1.26 -1.36 118.68 126.23 1p80 s LEU 340 Ca 0.18 -0.17 -0.00 0.00 0.01 0.00 0.00 54.13 54.14 1p80 s LEU 340 Cb -0.16 -1.71 0.02 0.00 0.01 0.00 0.00 46.19 44.36 1p80 s LEU 340 CO 0.12 0.21 -0.04 -0.63 1.01 0.00 0.00 176.35 177.01 1p80 s ILE 341 N 0.13 0.66 0.57 -0.59 1.01 -0.40 -4.98 121.20 117.61 1p80 s ILE 341 Ca -0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 1p80 s ILE 341 Cb -0.14 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1p80 s ILE 341 CO 0.03 0.29 1.28 -2.84 0.00 0.00 0.00 174.94 173.71 1p80 s PRO 342 N 1.48 3.05 0.35 2.79 0.02 -1.26 -0.58 135.00 140.85 1p80 s PRO 342 Ca -0.01 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.14 1p80 s PRO 342 Cb -0.13 -2.11 0.81 0.00 0.02 0.00 0.00 34.50 33.09 1p80 s PRO 342 CO -0.04 -1.20 1.86 1.49 -0.33 0.00 0.00 177.00 178.78 1p80 h GLU 343 N 1.20 0.68 0.00 5.54 4.81 -1.96 -0.77 114.58 124.09 1p80 h GLU 343 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1p80 h GLU 343 Cb 1.30 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1p80 h GLU 343 CO 0.56 0.45 0.00 0.39 -0.73 0.00 0.00 179.01 179.68 1p80 n GLU 344 N -4.57 0.05 -0.38 1.92 4.71 -1.26 -2.44 120.64 118.67 1p80 n GLU 344 Ca 0.18 0.31 0.10 0.00 -0.01 0.00 0.00 57.16 57.74 1p80 n GLU 344 Cb 0.48 -1.61 0.29 0.00 -1.01 0.00 0.00 31.44 29.59 1p80 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1p80 n ASP 345 N -1.71 3.91 -0.31 1.62 8.00 -0.29 -4.65 116.55 123.12 1p80 n ASP 345 Ca 0.03 -2.12 0.13 0.00 0.71 0.00 0.00 54.79 53.54 1p80 n ASP 345 Cb 0.18 -0.46 0.31 0.00 -0.02 0.00 0.00 41.12 41.13 1p80 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1p80 h GLU 346 N 3.70 0.39 -0.54 -1.24 4.81 -1.56 -2.13 114.58 118.02 1p80 h GLU 346 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1p80 h GLU 346 Cb 1.05 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1p80 h GLU 346 CO 0.05 0.26 0.00 1.19 -0.73 0.00 0.00 179.01 179.78 1p80 n PHE 347 N -5.04 1.56 1.36 0.92 3.01 -1.26 -4.52 117.46 113.49 1p80 n PHE 347 Ca 0.22 -0.69 0.09 0.00 1.01 0.00 0.00 57.45 58.08 1p80 n PHE 347 Cb 0.66 -0.34 0.36 0.00 -0.01 0.00 0.00 39.48 40.14 1p80 n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1p80 n LYS 348 N 0.64 1.57 -4.08 -1.08 5.02 -0.80 -4.88 118.16 114.55 1p80 n LYS 348 Ca 0.25 -0.87 -0.23 0.00 -2.02 0.00 0.00 58.31 55.45 1p80 n LYS 348 Cb 0.98 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 34.59 1p80 n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p80 s PHE 349 N -1.80 2.71 -0.07 2.13 0.40 -1.26 -5.02 117.98 115.06 1p80 s PHE 349 Ca 0.29 -0.40 0.31 0.00 -0.60 0.00 0.00 56.93 56.53 1p80 s PHE 349 Cb 0.15 -1.68 1.22 0.00 0.51 0.00 0.00 43.02 43.23 1p80 s PHE 349 CO 0.23 0.31 1.90 -0.44 0.70 0.00 0.00 175.22 177.92 1p80 h ASP 350 N 1.52 0.00 -2.06 1.36 3.45 -1.96 -3.44 116.42 115.28 1p80 h ASP 350 Ca -0.44 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.44 1p80 h ASP 350 Cb 1.25 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.91 1p80 h ASP 350 CO 0.63 0.00 -0.66 0.72 -1.57 0.00 0.00 179.24 178.37 1p80 s PHE 351 N -3.56 2.53 0.01 4.55 -0.12 -1.26 -5.07 117.98 115.06 1p80 s PHE 351 Ca 0.02 -0.35 -0.27 0.00 -0.05 0.00 0.00 56.93 56.28 1p80 s PHE 351 Cb 0.09 -1.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 1p80 s PHE 351 CO 0.52 0.57 0.86 0.34 -0.05 0.00 0.00 175.22 177.46 1p80 s ASP 352 N -3.66 7.26 0.57 1.98 3.68 -1.26 -4.95 116.67 120.29 1p80 s ASP 352 Ca 0.33 1.51 0.32 0.00 2.13 0.00 0.00 52.55 56.84 1p80 s ASP 352 Cb -0.03 -2.51 1.73 0.00 -1.45 0.00 0.00 42.92 40.66 1p80 s ASP 352 CO 0.19 -0.15 2.16 -0.07 0.13 0.00 0.00 175.17 177.43 1p80 h LEU 353 N 6.42 0.00 -0.84 -1.34 3.38 -1.96 -2.14 115.31 118.83 1p80 h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1p80 h LEU 353 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1p80 h LEU 353 CO 0.74 0.06 0.00 0.18 0.09 0.00 0.00 178.44 179.51 1p80 n LEU 354 N -3.49 1.28 -4.56 1.67 4.77 -1.26 -4.35 117.00 111.06 1p80 n LEU 354 Ca -0.02 -0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 1p80 n LEU 354 Cb 0.18 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1p80 n LEU 354 CO 0.27 0.24 0.30 -0.62 -1.33 0.00 0.00 177.39 176.25 1p80 s ASP 355 N -1.79 6.36 0.00 -1.43 3.68 -0.81 -4.33 116.67 118.35 1p80 s ASP 355 Ca 0.36 0.04 0.20 0.00 2.13 0.00 0.00 52.55 55.28 1p80 s ASP 355 Cb 0.19 -2.29 1.04 0.00 -1.45 0.00 0.00 42.92 40.40 1p80 s ASP 355 CO 0.30 -0.53 1.61 -0.81 0.13 0.00 0.00 175.17 175.87 1p80 n PRO 356 N 5.88 0.35 -0.01 4.34 -0.04 -1.26 -2.17 135.00 142.08 1p80 n PRO 356 Ca -0.03 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1p80 n PRO 356 Cb 0.49 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.86 1p80 n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1p80 n THR 357 N -1.23 0.02 -4.78 0.52 -2.24 -1.26 -0.66 114.28 104.64 1p80 n THR 357 Ca 0.10 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1p80 n THR 357 Cb 0.14 0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 1p80 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p80 s LYS 358 N -1.98 2.80 0.35 -0.78 -0.14 -0.92 -4.85 119.74 114.21 1p80 s LYS 358 Ca 0.35 -0.65 0.06 0.00 -1.36 0.00 0.00 55.97 54.38 1p80 s LYS 358 Cb 0.21 -2.51 -0.01 0.00 -1.68 0.00 0.00 37.83 33.84 1p80 s LYS 358 CO 0.32 0.53 0.50 -0.48 -0.76 0.00 0.00 175.35 175.47 1p80 s LEU 359 N -0.48 3.91 -0.39 3.17 0.05 -1.26 -4.83 118.68 118.83 1p80 s LEU 359 Ca 0.06 -0.19 -0.08 0.00 0.05 0.00 0.00 54.13 53.98 1p80 s LEU 359 Cb -0.12 -2.77 0.07 0.00 -2.05 0.00 0.00 46.19 41.32 1p80 s LEU 359 CO 0.02 -0.50 0.21 -0.63 -0.55 0.00 0.00 176.35 174.90 1p80 s ILE 360 N -2.23 4.04 0.24 1.48 1.01 -1.26 -5.06 121.20 119.43 1p80 s ILE 360 Ca 0.47 -1.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.44 1p80 s ILE 360 Cb -0.10 -3.44 -0.14 0.00 0.01 0.00 0.00 42.46 38.80 1p80 s ILE 360 CO 0.32 -0.42 1.35 -2.65 0.00 0.00 0.00 174.94 173.53 1p80 n PRO 361 N 4.86 1.91 0.26 2.79 -0.02 -1.26 -4.84 135.00 138.71 1p80 n PRO 361 Ca -0.10 0.68 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 1p80 n PRO 361 Cb 0.43 -2.30 0.70 0.00 -0.02 0.00 0.00 33.50 32.31 1p80 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p80 h GLU 362 N 3.85 0.00 0.00 -0.52 5.08 -1.98 -1.39 114.58 119.62 1p80 h GLU 362 Ca -0.45 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1p80 h GLU 362 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1p80 h GLU 362 CO 0.73 0.10 -0.22 0.93 -1.00 0.00 0.00 179.01 179.56 1p80 h GLU 363 N 0.00 0.00 0.09 2.33 4.39 -1.96 -3.12 114.58 116.31 1p80 h GLU 363 Ca -0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 1p80 h GLU 363 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1p80 h GLU 363 CO 0.01 0.22 -1.67 -0.07 -1.16 0.00 0.00 179.01 176.34 1p80 h LEU 364 N 0.00 0.29 -7.08 1.33 3.38 -1.64 -3.46 115.31 108.13 1p80 h LEU 364 Ca -0.00 -0.80 -0.53 0.00 0.09 0.00 0.00 57.88 56.64 1p80 h LEU 364 Cb 0.48 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 40.74 1p80 h LEU 364 CO 0.03 1.71 -0.76 -0.69 0.09 0.00 0.00 178.44 178.81 1p80 s VAL 365 N -2.49 0.35 0.72 1.22 1.01 -0.80 -5.07 120.40 115.34 1p80 s VAL 365 Ca -0.24 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 1p80 s VAL 365 Cb 0.06 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1p80 s VAL 365 CO 0.72 -0.47 1.15 -2.16 0.00 0.00 0.00 175.10 174.33 1p80 s PRO 366 N 1.91 2.36 -0.19 2.72 0.04 -1.18 -4.27 135.00 136.39 1p80 s PRO 366 Ca 0.05 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 1p80 s PRO 366 Cb -0.17 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1p80 s PRO 366 CO -0.20 -1.62 0.76 0.08 0.04 0.00 0.00 177.00 176.06 1p80 s VAL 367 N -2.26 4.93 -0.16 -0.36 1.01 -1.26 -4.42 120.40 117.87 1p80 s VAL 367 Ca 0.69 1.47 -0.17 0.00 0.00 0.00 0.00 61.98 63.97 1p80 s VAL 367 Cb -0.24 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1p80 s VAL 367 CO 0.45 0.05 0.46 -1.10 0.00 0.00 0.00 175.10 174.96 1p80 s GLN 368 N 2.13 4.26 0.24 2.72 -0.21 0.46 -4.84 119.66 124.41 1p80 s GLN 368 Ca 0.34 0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.79 1p80 s GLN 368 Cb -0.16 -3.49 -0.10 0.00 1.00 0.00 0.00 33.01 30.26 1p80 s GLN 368 CO 0.11 0.03 1.39 1.03 -2.12 0.00 0.00 175.29 175.73 1p80 s ARG 369 N 1.06 4.31 -0.02 2.91 0.52 -1.26 -0.93 118.95 125.55 1p80 s ARG 369 Ca 0.23 2.22 -0.00 0.00 -0.52 0.00 0.00 55.73 57.66 1p80 s ARG 369 Cb -0.15 -3.14 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 1p80 s ARG 369 CO 0.09 -0.35 -0.02 0.28 0.02 0.00 0.00 175.30 175.32 1p80 n VAL 370 N 2.37 0.09 -3.98 3.52 0.31 0.31 -4.90 118.33 116.05 1p80 n VAL 370 Ca 0.06 -0.03 0.02 0.00 -0.01 0.00 0.00 64.34 64.38 1p80 n VAL 370 Cb 0.41 -0.72 0.01 0.00 -0.91 0.00 0.00 33.84 32.63 1p80 n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p80 n GLY 371 N 3.33 0.31 3.22 2.92 0.00 -1.13 -1.08 105.19 112.77 1p80 n GLY 371 Ca -0.03 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 1p80 n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p80 s LYS 372 N -2.02 1.80 -0.11 1.61 2.20 -0.56 -0.58 119.74 122.08 1p80 s LYS 372 Ca 0.27 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 1p80 s LYS 372 Cb -0.01 -1.69 -0.00 0.00 -1.51 0.00 0.00 37.83 34.61 1p80 s LYS 372 CO 0.00 0.42 -0.20 1.41 -0.36 0.00 0.00 175.35 176.62 1p80 s MET 373 N -0.40 3.16 -0.13 4.03 -2.45 0.30 -1.77 119.30 122.04 1p80 s MET 373 Ca 0.06 -0.82 0.02 0.00 -1.25 0.00 0.00 55.69 53.71 1p80 s MET 373 Cb -0.09 -2.41 0.01 0.00 1.25 0.00 0.00 34.83 33.59 1p80 s MET 373 CO -0.00 0.19 -0.21 0.08 1.05 0.00 0.00 175.02 176.13 1p80 s VAL 374 N 0.35 1.97 -0.40 10.11 1.01 -0.44 -0.97 120.40 132.03 1p80 s VAL 374 Ca -0.16 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 1p80 s VAL 374 Cb -0.17 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1p80 s VAL 374 CO 0.08 0.53 0.34 -0.76 0.00 0.00 0.00 175.10 175.29 1p80 s LEU 375 N 0.82 4.90 -0.02 3.92 1.02 -0.18 -1.37 118.68 127.77 1p80 s LEU 375 Ca -0.08 -0.71 0.03 0.00 0.02 0.00 0.00 54.13 53.40 1p80 s LEU 375 Cb -0.16 -2.24 0.04 0.00 0.02 0.00 0.00 46.19 43.85 1p80 s LEU 375 CO -0.01 -0.45 0.86 -0.46 0.02 0.00 0.00 176.35 176.31 1p80 n ASN 376 N 5.30 1.20 -3.69 2.29 0.23 -0.50 -3.59 115.26 116.50 1p80 n ASN 376 Ca -0.10 -1.83 -0.11 0.00 -0.53 0.00 0.00 54.58 52.01 1p80 n ASN 376 Cb 0.48 -0.08 -0.10 0.00 -2.08 0.00 0.00 39.78 38.00 1p80 n ASN 376 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1p80 s ARG 377 N -0.83 0.51 0.67 -3.83 3.52 -1.03 -4.99 118.95 112.97 1p80 s ARG 377 Ca 0.04 0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 56.36 1p80 s ARG 377 Cb 0.04 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1p80 s ARG 377 CO 0.00 -0.13 1.06 -0.80 -0.81 0.00 0.00 175.30 174.63 1p80 s ASN 378 N 1.04 5.71 1.09 -2.12 0.01 -1.26 -0.43 114.94 118.97 1p80 s ASN 378 Ca -0.06 1.36 -0.12 0.00 -0.71 0.00 0.00 52.86 53.32 1p80 s ASN 378 Cb -0.06 -2.28 0.24 0.00 0.41 0.00 0.00 41.25 39.56 1p80 s ASN 378 CO -0.09 -1.20 1.06 -2.84 -1.51 0.00 0.00 177.10 172.52 1p80 s PRO 379 N -5.21 -0.30 -0.14 -0.60 0.02 -1.26 -3.76 135.00 123.75 1p80 s PRO 379 Ca 0.57 0.94 -0.13 0.00 0.02 0.00 0.00 61.00 62.40 1p80 s PRO 379 Cb -0.12 -1.62 -0.24 0.00 0.02 0.00 0.00 34.50 32.54 1p80 s PRO 379 CO 0.54 -3.34 0.34 -0.44 -0.33 0.00 0.00 177.00 173.77 1p80 h ASP 380 N -2.35 0.29 -3.26 2.53 3.45 -1.95 -1.26 116.42 113.87 1p80 h ASP 380 Ca -0.57 -0.80 -0.51 0.00 0.43 0.00 0.00 57.03 55.59 1p80 h ASP 380 Cb 1.32 -0.09 -0.38 0.00 -0.56 0.00 0.00 39.33 39.61 1p80 h ASP 380 CO 0.50 1.72 -0.78 0.21 -1.57 0.00 0.00 179.24 179.31 1p80 s ASN 381 N -6.99 2.29 0.15 6.45 3.84 -1.26 -4.62 114.94 114.79 1p80 s ASN 381 Ca -0.24 -0.41 -0.17 0.00 0.21 0.00 0.00 52.86 52.25 1p80 s ASN 381 Cb 0.06 -0.70 0.03 0.00 -0.55 0.00 0.00 41.25 40.09 1p80 s ASN 381 CO 0.71 -0.19 1.76 0.15 -2.79 0.00 0.00 177.10 176.74 1p80 h PHE 382 N 8.22 0.22 -0.03 0.43 3.57 -1.98 -1.77 116.94 125.59 1p80 h PHE 382 Ca -0.23 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1p80 h PHE 382 Cb 1.12 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1p80 h PHE 382 CO 0.44 0.10 0.01 0.35 -2.23 0.00 0.00 178.31 176.98 1p80 h PHE 383 N 0.27 0.05 -0.91 0.41 3.04 -1.96 0.19 116.94 118.02 1p80 h PHE 383 Ca 0.14 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1p80 h PHE 383 Cb 0.10 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 1p80 h PHE 383 CO -0.13 0.20 0.55 0.00 -2.02 0.00 0.00 178.31 176.91 1p80 h ALA 384 N 0.84 1.16 0.01 2.41 0.00 -1.94 -2.19 119.26 119.56 1p80 h ALA 384 Ca 0.01 -0.10 -0.41 0.00 0.00 0.00 0.00 54.91 54.41 1p80 h ALA 384 Cb 0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1p80 h ALA 384 CO -0.00 0.62 -2.41 0.39 0.00 0.00 0.00 179.25 177.85 1p80 n GLU 385 N -4.38 0.63 -0.05 0.00 1.02 -0.68 -4.22 120.64 112.96 1p80 n GLU 385 Ca 0.10 0.23 -0.01 0.00 -0.02 0.00 0.00 57.16 57.46 1p80 n GLU 385 Cb 0.06 -1.53 -0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1p80 n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1p80 h ASN 386 N -0.49 0.00 -0.94 1.62 -0.73 -0.82 -3.17 115.58 111.04 1p80 h ASN 386 Ca -0.61 0.00 0.08 0.00 1.87 0.00 0.00 56.30 57.64 1p80 h ASN 386 Cb 1.75 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.27 1p80 h ASN 386 CO -0.23 0.49 0.59 -0.08 -0.37 0.00 0.00 177.43 177.83 1p80 h GLU 387 N -0.85 1.01 -0.00 6.67 4.57 -1.08 -2.06 114.58 122.84 1p80 h GLU 387 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1p80 h GLU 387 Cb 0.12 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1p80 h GLU 387 CO 0.00 0.67 -0.10 1.04 -1.18 0.00 0.00 179.01 179.44 1p80 n GLN 388 N -4.58 0.67 -1.88 1.92 6.02 -0.84 -4.91 117.38 113.77 1p80 n GLN 388 Ca 0.15 -0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.53 1p80 n GLN 388 Cb 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1p80 n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p80 s ALA 389 N -2.47 3.38 -0.17 -1.58 0.00 -0.78 -4.88 121.76 115.26 1p80 s ALA 389 Ca 0.29 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.68 1p80 s ALA 389 Cb 0.20 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1p80 s ALA 389 CO 0.47 -1.02 -0.06 0.00 0.00 0.00 0.00 175.76 175.15 1p80 s ALA 390 N -1.18 1.58 0.05 0.00 0.00 -1.26 -5.05 121.76 115.90 1p80 s ALA 390 Ca 0.56 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1p80 s ALA 390 Cb -0.43 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1p80 s ALA 390 CO 0.57 -0.80 0.04 -0.06 0.00 0.00 0.00 175.76 175.51 1p80 s PHE 391 N 1.59 3.13 -0.20 0.00 0.08 -1.26 -5.00 117.98 116.32 1p80 s PHE 391 Ca 0.00 0.07 -0.10 0.00 0.12 0.00 0.00 56.93 57.02 1p80 s PHE 391 Cb -0.16 -1.63 0.07 0.00 -0.57 0.00 0.00 43.02 40.74 1p80 s PHE 391 CO -0.08 0.50 0.46 -1.58 -0.10 0.00 0.00 175.22 174.43 1p80 s HIS 392 N -1.27 -0.73 0.08 0.36 2.46 -1.26 -4.99 115.29 109.94 1p80 s HIS 392 Ca 0.25 1.49 0.32 0.00 0.47 0.00 0.00 55.06 57.60 1p80 s HIS 392 Cb -0.12 0.35 1.57 0.00 -0.13 0.00 0.00 32.58 34.24 1p80 s HIS 392 CO 0.17 -0.41 1.98 -1.00 -2.47 0.00 0.00 174.74 173.01 1p80 h PRO 393 N 7.33 0.00 0.00 2.88 0.13 -1.91 -1.05 132.00 139.37 1p80 h PRO 393 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1p80 h PRO 393 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1p80 h PRO 393 CO 0.24 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.42 1p80 n GLY 394 N -0.59 -1.40 3.57 1.56 0.00 -1.26 -4.51 105.19 102.56 1p80 n GLY 394 Ca -0.01 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1p80 n GLY 394 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p80 s HIS 395 N -3.09 2.57 0.47 1.61 3.76 -0.40 -4.95 115.29 115.26 1p80 s HIS 395 Ca 0.10 -1.03 0.06 0.00 -0.15 0.00 0.00 55.06 54.03 1p80 s HIS 395 Cb 0.13 -4.66 -0.02 0.00 1.11 0.00 0.00 32.58 29.14 1p80 s HIS 395 CO 0.46 -1.84 0.23 0.96 -0.85 0.00 0.00 174.74 173.70 1p80 s ILE 396 N 5.19 1.95 0.16 0.60 -4.36 -1.26 -1.53 121.20 121.95 1p80 s ILE 396 Ca 0.51 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 59.28 1p80 s ILE 396 Cb 0.01 -2.61 -0.05 0.00 1.25 0.00 0.00 42.46 41.07 1p80 s ILE 396 CO -0.01 0.00 -0.06 0.68 0.24 0.00 0.00 174.94 175.79 1p80 s VAL 397 N -2.69 0.98 0.17 8.37 -7.23 -1.26 -4.82 120.40 113.93 1p80 s VAL 397 Ca 0.34 -2.02 -0.33 0.00 -1.81 0.00 0.00 61.98 58.15 1p80 s VAL 397 Cb 0.01 -1.98 -0.14 0.00 0.56 0.00 0.00 36.38 34.83 1p80 s VAL 397 CO 0.19 -0.63 1.46 -2.65 -0.31 0.00 0.00 175.10 173.16 1p80 n PRO 398 N -0.23 1.87 0.00 4.82 -0.02 -1.26 -1.57 135.00 138.62 1p80 n PRO 398 Ca -0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1p80 n PRO 398 Cb 0.62 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1p80 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p80 n GLY 399 N 2.79 1.76 3.43 -1.23 0.00 -1.26 -3.41 105.19 107.26 1p80 n GLY 399 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1p80 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p80 s LEU 400 N 0.00 2.56 0.26 0.99 1.43 -0.61 -0.79 118.68 122.52 1p80 s LEU 400 Ca 0.00 -1.00 -0.20 0.00 -1.03 0.00 0.00 54.13 51.89 1p80 s LEU 400 Cb 0.00 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1p80 s LEU 400 CO 0.00 -0.01 0.68 -0.62 0.23 0.00 0.00 176.35 176.63 1p80 s ASP 401 N -3.34 -0.28 0.76 2.29 3.68 -0.05 -4.75 116.67 114.99 1p80 s ASP 401 Ca 0.27 -0.57 -0.03 0.00 2.13 0.00 0.00 52.55 54.35 1p80 s ASP 401 Cb -0.04 0.70 0.14 0.00 -1.45 0.00 0.00 42.92 42.27 1p80 s ASP 401 CO 0.12 -1.28 1.05 -0.36 0.13 0.00 0.00 175.17 174.83 1p80 s PHE 402 N -3.91 1.55 0.38 -5.34 0.40 -1.26 -1.17 117.98 108.63 1p80 s PHE 402 Ca 0.11 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1p80 s PHE 402 Cb -0.05 -3.16 -0.03 0.00 0.51 0.00 0.00 43.02 40.29 1p80 s PHE 402 CO 0.05 -1.87 0.14 0.95 0.70 0.00 0.00 175.22 175.19 1p80 s THR 403 N -3.26 0.53 -2.03 0.64 -4.23 -1.26 -4.38 115.64 101.65 1p80 s THR 403 Ca 0.68 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 1p80 s THR 403 Cb -0.05 -2.42 0.21 0.00 1.34 0.00 0.00 72.50 71.58 1p80 s THR 403 CO 0.46 0.00 1.22 0.59 -0.54 0.00 0.00 174.62 176.35 1p80 n ASN 404 N -1.22 0.81 -4.65 3.99 3.02 -1.26 -4.71 115.26 111.24 1p80 n ASN 404 Ca -0.03 -1.91 -0.58 0.00 -0.03 0.00 0.00 54.58 52.04 1p80 n ASN 404 Cb 0.65 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 1p80 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p80 n ASP 405 N -0.10 1.64 0.12 6.41 -0.08 -1.26 -4.77 116.55 118.50 1p80 n ASP 405 Ca 0.07 1.12 0.12 0.00 -1.51 0.00 0.00 54.79 54.60 1p80 n ASP 405 Cb 0.14 -1.09 0.45 0.00 2.34 0.00 0.00 41.12 42.97 1p80 n ASP 405 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1p80 n PRO 406 N 3.72 0.22 -0.00 -0.67 -0.04 -1.26 -1.38 135.00 135.59 1p80 n PRO 406 Ca 0.24 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.81 1p80 n PRO 406 Cb 0.11 -1.83 -0.14 0.00 -0.04 0.00 0.00 33.50 31.60 1p80 n PRO 406 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1p80 h LEU 407 N 0.00 0.30 -0.60 1.53 5.85 -1.84 -2.75 115.31 117.81 1p80 h LEU 407 Ca 0.00 -0.88 0.03 0.00 0.84 0.00 0.00 57.88 57.87 1p80 h LEU 407 Cb 0.55 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1p80 h LEU 407 CO 0.00 1.42 0.36 0.25 -0.34 0.00 0.00 178.44 180.13 1p80 h LEU 408 N -0.53 0.59 -0.98 2.25 5.85 -1.85 -2.29 115.31 118.36 1p80 h LEU 408 Ca -0.20 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.62 1p80 h LEU 408 Cb 1.54 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.37 1p80 h LEU 408 CO 0.05 0.41 0.62 1.56 -0.34 0.00 0.00 178.44 180.74 1p80 h GLN 409 N 0.72 1.00 0.00 1.25 1.08 -1.36 -1.63 115.11 116.17 1p80 h GLN 409 Ca 0.24 -0.06 -0.19 0.00 -1.45 0.00 0.00 58.65 57.19 1p80 h GLN 409 Cb 0.03 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 1p80 h GLN 409 CO -0.10 0.66 -0.86 0.78 -0.95 0.00 0.00 178.83 178.36 1p80 h GLY 410 N 1.03 0.19 0.91 3.46 0.00 -1.54 -3.00 103.07 104.10 1p80 h GLY 410 Ca 0.46 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.51 1p80 h GLY 410 CO -0.23 0.29 0.62 3.21 0.00 0.00 0.00 176.54 180.43 1p80 h ARG 411 N 0.09 1.13 -0.76 4.80 3.08 -0.76 -2.08 114.38 119.88 1p80 h ARG 411 Ca -0.04 -0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.10 1p80 h ARG 411 Cb 1.48 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 1p80 h ARG 411 CO 0.13 0.74 0.51 -0.07 -1.07 0.00 0.00 179.97 180.21 1p80 h LEU 412 N 1.16 0.39 -0.01 3.04 3.38 -1.28 -2.15 115.31 119.84 1p80 h LEU 412 Ca 0.38 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.26 1p80 h LEU 412 Cb 0.06 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1p80 h LEU 412 CO -0.13 0.20 -0.46 0.15 0.09 0.00 0.00 178.44 178.30 1p80 h PHE 413 N 0.42 0.48 -0.70 1.13 3.57 -1.52 -3.40 116.94 116.92 1p80 h PHE 413 Ca 0.38 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1p80 h PHE 413 Cb 0.86 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1p80 h PHE 413 CO -0.00 1.06 0.27 1.03 -2.23 0.00 0.00 178.31 178.44 1p80 h SER 414 N -0.24 0.97 -0.13 0.41 0.87 -1.12 -3.08 113.55 111.23 1p80 h SER 414 Ca -0.05 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.16 1p80 h SER 414 Cb 1.18 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1p80 h SER 414 CO 0.09 0.88 -0.54 1.88 -0.53 0.00 0.00 176.83 178.61 1p80 h TYR 415 N 1.00 0.89 -0.49 2.24 0.99 -1.74 -1.09 116.97 118.77 1p80 h TYR 415 Ca 0.23 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1p80 h TYR 415 Cb 0.22 -0.17 -0.02 0.00 1.00 0.00 0.00 36.73 37.76 1p80 h TYR 415 CO 0.02 1.09 0.31 1.15 -0.00 0.00 0.00 178.16 180.74 1p80 h THR 416 N 0.55 1.14 0.00 -2.88 2.02 -1.79 -2.43 112.91 109.51 1p80 h THR 416 Ca 0.01 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1p80 h THR 416 Cb 1.12 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1p80 h THR 416 CO 0.11 0.14 -0.00 -0.78 0.37 0.00 0.00 175.52 175.36 1p80 h ASP 417 N 0.66 -0.00 -0.00 4.18 3.58 -1.43 -2.81 116.42 120.61 1p80 h ASP 417 Ca 0.18 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 1p80 h ASP 417 Cb -0.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1p80 h ASP 417 CO -0.04 0.06 -0.13 0.00 -2.88 0.00 0.00 179.24 176.26 1p80 h THR 418 N -0.07 1.19 0.00 2.25 1.03 -1.13 -2.64 112.91 113.54 1p80 h THR 418 Ca -0.00 -0.83 -0.00 0.00 -0.01 0.00 0.00 66.41 65.57 1p80 h THR 418 Cb 0.07 1.20 -0.00 0.00 -1.07 0.00 0.00 68.15 68.35 1p80 h THR 418 CO 0.00 0.26 -0.01 1.56 -0.01 0.00 0.00 175.52 177.32 1p80 h GLN 419 N 0.27 0.00 -0.61 0.00 4.20 -1.17 -1.82 115.11 115.98 1p80 h GLN 419 Ca 0.05 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1p80 h GLN 419 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1p80 h GLN 419 CO 0.02 0.01 0.37 0.82 -0.67 0.00 0.00 178.83 179.38 1p80 h ILE 420 N 0.00 1.06 0.09 2.54 1.08 -1.39 -0.19 117.51 120.70 1p80 h ILE 420 Ca -0.00 -0.25 -0.33 0.00 -0.39 0.00 0.00 64.86 63.89 1p80 h ILE 420 Cb 0.57 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1p80 h ILE 420 CO 0.00 0.13 -1.79 0.77 -0.69 0.00 0.00 178.15 176.57 1p80 h SER 421 N 0.72 0.30 -0.60 1.72 4.64 -1.64 -0.15 113.55 118.54 1p80 h SER 421 Ca 0.25 -0.59 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1p80 h SER 421 Cb 0.04 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1p80 h SER 421 CO -0.11 1.52 0.30 -0.09 -0.87 0.00 0.00 176.83 177.58 1p80 h ARG 422 N 0.05 0.85 -0.33 4.77 2.43 -1.26 -3.06 114.38 117.85 1p80 h ARG 422 Ca -0.34 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1p80 h ARG 422 Cb 2.03 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1p80 h ARG 422 CO 0.11 0.68 0.00 1.28 -1.51 0.00 0.00 179.97 180.52 1p80 n LEU 423 N -4.54 4.22 -0.03 3.80 4.77 -0.09 -4.39 117.00 120.74 1p80 n LEU 423 Ca 0.04 -2.97 -0.00 0.00 -0.03 0.00 0.00 56.01 53.05 1p80 n LEU 423 Cb 0.11 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1p80 n LEU 423 CO 0.37 0.67 -0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1p80 n GLY 424 N -0.25 0.45 0.00 -0.72 0.00 -1.12 -4.78 105.19 98.78 1p80 n GLY 424 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1p80 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p80 n GLY 425 N -2.50 -1.30 0.28 -0.02 0.00 -0.08 -4.76 105.19 96.81 1p80 n GLY 425 Ca -0.00 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.74 1p80 n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p80 n PRO 426 N -0.50 1.28 -1.17 1.61 -0.04 -1.26 -3.73 135.00 131.19 1p80 n PRO 426 Ca 0.00 -0.56 -0.21 0.00 -0.04 0.00 0.00 63.50 62.69 1p80 n PRO 426 Cb 0.00 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.16 1p80 n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p80 n ASN 427 N -0.37 3.62 0.30 3.54 3.02 -1.26 -4.56 115.26 119.55 1p80 n ASN 427 Ca 0.19 -3.62 0.19 0.00 -0.03 0.00 0.00 54.58 51.31 1p80 n ASN 427 Cb 0.28 -0.81 0.91 0.00 -0.61 0.00 0.00 39.78 39.55 1p80 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1p80 h PHE 428 N 1.04 0.00 0.00 3.10 -5.15 -1.86 -0.65 116.94 113.42 1p80 h PHE 428 Ca 0.58 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.35 1p80 h PHE 428 Cb 2.72 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.89 1p80 h PHE 428 CO 1.53 0.01 0.00 -2.39 -2.00 0.00 0.00 178.31 175.46 1p80 n HIS 429 N -3.13 0.07 1.00 6.09 1.44 -1.26 -1.99 115.22 117.44 1p80 n HIS 429 Ca -0.01 0.03 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 1p80 n HIS 429 Cb 0.20 -0.54 0.22 0.00 0.12 0.00 0.00 29.99 29.99 1p80 n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1p80 n GLU 430 N -1.56 0.01 -2.11 -1.40 1.02 -0.25 -3.31 120.64 113.04 1p80 n GLU 430 Ca 0.04 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1p80 n GLU 430 Cb 0.23 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1p80 n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p80 s ILE 431 N -2.99 3.21 0.21 -3.67 1.01 -0.84 -4.84 121.20 113.29 1p80 s ILE 431 Ca 0.11 0.82 -0.18 0.00 0.00 0.00 0.00 60.65 61.40 1p80 s ILE 431 Cb 0.17 -3.53 0.20 0.00 0.01 0.00 0.00 42.46 39.32 1p80 s ILE 431 CO 0.71 0.05 1.57 -0.65 0.00 0.00 0.00 174.94 176.62 1p80 h PRO 432 N 7.10 -0.08 -0.30 2.79 0.11 -1.89 -0.66 132.00 139.07 1p80 h PRO 432 Ca -0.42 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1p80 h PRO 432 Cb 1.20 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1p80 h PRO 432 CO 0.89 -0.05 0.21 0.97 -0.21 0.00 0.00 178.00 179.80 1p80 h ILE 433 N -0.08 0.90 0.00 4.15 6.09 -1.90 -2.25 117.51 124.43 1p80 h ILE 433 Ca 0.30 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.75 1p80 h ILE 433 Cb 0.58 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.66 1p80 h ILE 433 CO -0.82 0.02 -0.39 0.59 -3.07 0.00 0.00 178.15 174.48 1p80 n ASN 434 N -4.47 0.41 -4.75 2.19 3.02 -0.28 -4.93 115.26 106.44 1p80 n ASN 434 Ca 0.04 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1p80 n ASN 434 Cb 0.30 0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1p80 n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1p80 s ARG 435 N -3.01 4.26 0.75 3.52 0.52 -0.85 -4.89 118.95 119.25 1p80 s ARG 435 Ca 0.11 2.33 -0.14 0.00 -0.52 0.00 0.00 55.73 57.51 1p80 s ARG 435 Cb 0.17 -3.08 0.05 0.00 0.52 0.00 0.00 34.95 32.61 1p80 s ARG 435 CO 0.66 -0.41 1.20 -2.14 0.02 0.00 0.00 175.30 174.63 1p80 s PRO 436 N -0.76 2.00 0.02 3.54 0.02 -1.26 -4.92 135.00 133.64 1p80 s PRO 436 Ca 0.57 1.71 0.22 0.00 0.02 0.00 0.00 61.00 63.53 1p80 s PRO 436 Cb -0.42 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 1p80 s PRO 436 CO 0.47 -1.93 0.99 0.25 -0.33 0.00 0.00 177.00 176.45 1p80 n THR 437 N -2.94 0.07 -2.83 0.99 -2.24 -1.26 -4.92 114.28 101.15 1p80 n THR 437 Ca 0.13 -0.15 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 1p80 n THR 437 Cb 0.51 0.46 0.02 0.00 -2.10 0.00 0.00 70.33 69.22 1p80 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p80 s PRO 439 N -4.61 3.73 -0.05 0.00 0.02 -1.26 -5.04 135.00 127.80 1p80 s PRO 439 Ca 0.54 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.63 1p80 s PRO 439 Cb -0.10 -2.56 0.03 0.00 0.02 0.00 0.00 34.50 31.89 1p80 s PRO 439 CO 0.37 -0.66 0.03 1.52 -0.33 0.00 0.00 177.00 177.93 1p80 s TYR 440 N -1.34 0.28 -0.08 6.54 1.13 -1.26 -4.98 117.35 117.65 1p80 s TYR 440 Ca 0.62 0.08 -0.03 0.00 -1.41 0.00 0.00 57.07 56.32 1p80 s TYR 440 Cb -0.36 -0.55 0.04 0.00 -1.10 0.00 0.00 41.96 39.99 1p80 s TYR 440 CO 0.45 -0.21 0.17 -1.01 -2.51 0.00 0.00 175.55 172.44 1p80 s HIS 441 N 1.83 -0.20 0.02 -3.49 3.76 -1.26 -5.16 115.29 110.79 1p80 s HIS 441 Ca 0.01 0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 55.47 1p80 s HIS 441 Cb -0.12 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1p80 s HIS 441 CO -0.03 -0.18 0.05 0.27 -0.85 0.00 0.00 174.74 173.99 1p80 n ASN 442 N 4.19 -0.12 -1.08 1.40 0.23 -1.26 -4.93 115.26 113.68 1p80 n ASN 442 Ca -0.26 -1.08 0.09 0.00 -0.53 0.00 0.00 54.58 52.80 1p80 n ASN 442 Cb 0.52 0.20 0.26 0.00 -2.08 0.00 0.00 39.78 38.68 1p80 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1p80 n PHE 443 N -0.03 0.81 -2.38 -2.53 3.01 -1.26 -4.94 117.46 110.13 1p80 n PHE 443 Ca -0.00 -0.51 -0.41 0.00 1.01 0.00 0.00 57.45 57.53 1p80 n PHE 443 Cb 0.03 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.44 1p80 n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1p80 s GLN 444 N -1.07 4.51 0.20 -1.08 -0.21 -1.26 -4.69 119.66 116.06 1p80 s GLN 444 Ca 0.39 1.88 0.00 0.00 0.02 0.00 0.00 55.36 57.65 1p80 s GLN 444 Cb 0.21 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 1p80 s GLN 444 CO 0.26 -0.03 0.08 1.03 -2.12 0.00 0.00 175.29 174.50 1p80 s ARG 445 N -0.56 1.20 4.39 2.91 1.81 -1.26 -5.09 118.95 122.35 1p80 s ARG 445 Ca 0.51 -1.62 0.00 0.00 -1.72 0.00 0.00 55.73 52.90 1p80 s ARG 445 Cb -0.33 -0.01 0.00 0.00 -0.45 0.00 0.00 34.95 34.16 1p80 s ARG 445 CO 0.38 -0.28 0.00 -0.25 -0.68 0.00 0.00 175.30 174.47 1p80 n ASP 446 N -0.29 0.00 0.00 0.23 8.00 -1.26 -5.07 116.55 118.16 1p80 n ASP 446 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1p80 n ASP 446 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1p80 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p80 n GLY 447 N 0.00 -1.14 3.66 0.44 0.00 -1.26 -4.69 105.19 102.21 1p80 n GLY 447 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1p80 n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p80 n MET 448 N -0.64 1.76 -3.49 1.61 1.56 -1.26 -2.96 117.12 113.71 1p80 n MET 448 Ca 0.00 0.62 -0.21 0.00 -0.27 0.00 0.00 57.70 57.84 1p80 n MET 448 Cb 0.00 -2.22 0.07 0.00 2.15 0.00 0.00 33.22 33.22 1p80 n MET 448 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1p80 n HIS 449 N -0.10 -2.60 -2.40 1.12 8.25 -1.26 -4.40 115.22 113.83 1p80 n HIS 449 Ca 0.07 0.92 -0.43 0.00 -0.26 0.00 0.00 57.72 58.03 1p80 n HIS 449 Cb 0.38 -4.69 -0.02 0.00 1.12 0.00 0.00 29.99 26.77 1p80 n HIS 449 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1p80 s ARG 450 N -6.14 4.15 -0.22 -0.41 6.06 -1.16 -4.89 118.95 116.35 1p80 s ARG 450 Ca 0.50 1.60 -0.20 0.00 -2.50 0.00 0.00 55.73 55.14 1p80 s ARG 450 Cb -0.22 -3.81 -0.18 0.00 0.06 0.00 0.00 34.95 30.80 1p80 s ARG 450 CO 0.66 -0.81 0.14 -1.33 -2.50 0.00 0.00 175.30 171.46 1p80 n MET 451 N 6.81 0.58 -2.00 5.12 2.81 -1.26 -4.93 117.12 124.24 1p80 n MET 451 Ca 0.14 0.52 -0.42 0.00 -1.81 0.00 0.00 57.70 56.13 1p80 n MET 451 Cb 0.45 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1p80 n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1p80 s GLY 452 N -4.99 1.76 -0.49 3.03 0.00 -1.26 -4.97 107.32 100.40 1p80 s GLY 452 Ca -0.30 1.30 -0.14 0.00 0.00 0.00 0.00 44.72 45.58 1p80 s GLY 452 CO 0.58 2.52 0.41 -0.42 0.00 0.00 0.00 173.10 176.19 1p80 s ILE 453 N 0.99 4.96 0.10 0.90 1.01 -1.26 -4.99 121.20 122.91 1p80 s ILE 453 Ca 0.67 -1.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1p80 s ILE 453 Cb -0.42 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 37.91 1p80 s ILE 453 CO 0.32 -0.69 1.10 -1.81 0.00 0.00 0.00 174.94 173.86 1p80 s ASP 454 N 2.88 7.25 0.00 3.58 1.11 -1.26 -4.93 116.67 125.31 1p80 s ASP 454 Ca 0.04 1.96 0.17 0.00 0.18 0.00 0.00 52.55 54.90 1p80 s ASP 454 Cb -0.26 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.07 1p80 s ASP 454 CO 0.04 -0.29 0.84 0.35 1.18 0.00 0.00 175.17 177.29 1p80 n THR 455 N 3.17 0.00 -1.72 -1.27 -2.24 -1.26 -4.97 114.28 105.99 1p80 n THR 455 Ca 0.05 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1p80 n THR 455 Cb 0.47 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1p80 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p80 n ASN 456 N -0.57 3.78 -0.00 3.42 2.85 -1.26 -4.87 115.26 118.62 1p80 n ASN 456 Ca 0.06 1.09 0.04 0.00 -0.11 0.00 0.00 54.58 55.65 1p80 n ASN 456 Cb 0.33 -1.55 0.41 0.00 1.24 0.00 0.00 39.78 40.22 1p80 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1p80 h PRO 457 N 6.10 0.55 -5.92 1.20 0.11 -1.93 -3.41 132.00 128.69 1p80 h PRO 457 Ca -0.44 -0.04 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 1p80 h PRO 457 Cb 1.22 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1p80 h PRO 457 CO 0.90 0.38 -0.39 0.00 -0.21 0.00 0.00 178.00 178.68 1p80 s ALA 458 N -5.47 3.85 -0.14 -0.75 0.00 -1.26 -5.00 121.76 113.00 1p80 s ALA 458 Ca -0.08 -0.59 0.15 0.00 0.00 0.00 0.00 51.96 51.44 1p80 s ALA 458 Cb 0.17 -2.06 0.34 0.00 0.00 0.00 0.00 23.12 21.57 1p80 s ALA 458 CO 0.73 0.66 1.17 0.27 0.00 0.00 0.00 175.76 178.59 1p80 n ASN 459 N 1.03 1.66 -3.73 0.00 2.04 -1.26 -4.99 115.26 110.00 1p80 n ASN 459 Ca -0.10 -3.21 -0.10 0.00 -0.44 0.00 0.00 54.58 50.72 1p80 n ASN 459 Cb 0.53 -0.44 -0.05 0.00 -2.53 0.00 0.00 39.78 37.29 1p80 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1p80 s TYR 460 N -2.39 -0.04 -0.04 -2.53 -0.85 -1.26 -4.81 117.35 105.42 1p80 s TYR 460 Ca 0.32 -0.31 -0.09 0.00 -0.52 0.00 0.00 57.07 56.47 1p80 s TYR 460 Cb 0.31 0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.83 1p80 s TYR 460 CO -0.04 -0.70 0.21 -1.83 -1.52 0.00 0.00 175.55 171.67 1p80 s GLU 461 N -3.84 0.41 0.39 -3.49 4.04 -1.26 -4.07 118.70 110.88 1p80 s GLU 461 Ca 0.06 -0.02 -0.25 0.00 0.04 0.00 0.00 54.97 54.79 1p80 s GLU 461 Cb 0.02 0.18 -0.09 0.00 0.02 0.00 0.00 34.13 34.27 1p80 s GLU 461 CO -0.09 -0.09 1.15 -1.25 -1.84 0.00 0.00 175.26 173.14 1p80 s PRO 462 N -0.65 4.12 0.09 -4.83 0.04 -1.26 -5.20 135.00 127.30 1p80 s PRO 462 Ca -0.07 1.80 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1p80 s PRO 462 Cb -0.04 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1p80 s PRO 462 CO 0.01 -0.25 -0.09 0.54 0.04 0.00 0.00 177.00 177.25 1p80 s ASN 463 N -1.16 1.32 -0.05 6.66 2.20 -1.26 -5.03 114.94 117.62 1p80 s ASN 463 Ca 0.56 -0.79 0.16 0.00 -0.94 0.00 0.00 52.86 51.85 1p80 s ASN 463 Cb -0.30 0.02 -0.24 0.00 -2.00 0.00 0.00 41.25 38.73 1p80 s ASN 463 CO 0.38 -0.28 0.30 -1.54 -2.94 0.00 0.00 177.10 173.01 1p80 n SER 464 N 0.63 1.18 0.25 3.54 3.41 -1.26 -1.68 113.62 119.70 1p80 n SER 464 Ca -0.17 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.61 1p80 n SER 464 Cb 0.58 1.57 0.74 0.00 -0.26 0.00 0.00 64.21 66.83 1p80 n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1p80 h ILE 465 N 0.00 0.00 0.00 -1.33 3.07 -1.98 -1.71 117.51 115.56 1p80 h ILE 465 Ca -0.09 -0.33 -0.02 0.00 1.55 0.00 0.00 64.86 65.97 1p80 h ILE 465 Cb 1.03 1.24 -0.04 0.00 -0.27 0.00 0.00 36.82 38.78 1p80 h ILE 465 CO 0.01 0.00 -0.35 -3.20 -1.05 0.00 0.00 178.15 173.56 1p80 n ASN 466 N -2.86 1.75 -2.74 2.16 5.15 -1.26 -4.88 115.26 112.57 1p80 n ASN 466 Ca 0.00 -3.23 -0.19 0.00 -0.60 0.00 0.00 54.58 50.56 1p80 n ASN 466 Cb 0.23 -0.44 0.01 0.00 -0.53 0.00 0.00 39.78 39.05 1p80 n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1p80 n ASP 467 N -1.00 -5.09 -1.04 1.20 2.03 -0.64 -1.99 116.55 110.03 1p80 n ASP 467 Ca 0.15 -0.10 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 1p80 n ASP 467 Cb 0.71 -4.21 -0.06 0.00 -0.72 0.00 0.00 41.12 36.85 1p80 n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1p80 n ASN 468 N -2.15 -4.61 -4.87 1.67 5.15 -0.68 -5.00 115.26 104.78 1p80 n ASN 468 Ca -0.15 0.33 -0.33 0.00 -0.60 0.00 0.00 54.58 53.83 1p80 n ASN 468 Cb 0.62 -3.30 -0.05 0.00 -0.53 0.00 0.00 39.78 36.52 1p80 n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1p80 s TRP 469 N -2.50 3.51 0.62 1.20 0.52 -0.84 -3.71 118.94 117.73 1p80 s TRP 469 Ca 0.00 0.86 -0.16 0.00 0.02 0.00 0.00 56.10 56.82 1p80 s TRP 469 Cb 0.00 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1p80 s TRP 469 CO 0.00 0.38 1.10 -1.25 0.02 0.00 0.00 176.95 177.20 1p80 s PRO 470 N -2.40 3.06 0.13 4.98 0.04 -1.26 -4.89 135.00 134.66 1p80 s PRO 470 Ca 0.41 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.90 1p80 s PRO 470 Cb -0.13 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1p80 s PRO 470 CO 0.20 -1.04 -0.10 1.03 0.04 0.00 0.00 177.00 177.13 1p80 s ARG 471 N -3.95 2.09 0.71 4.56 0.52 -1.24 -5.03 118.95 116.61 1p80 s ARG 471 Ca 0.67 -1.11 -0.16 0.00 -0.52 0.00 0.00 55.73 54.60 1p80 s ARG 471 Cb -0.20 -2.25 0.03 0.00 0.52 0.00 0.00 34.95 33.05 1p80 s ARG 471 CO 0.37 0.48 1.23 -1.21 0.02 0.00 0.00 175.30 176.20 1p80 s GLU 472 N -2.43 2.21 -0.08 3.54 2.02 -1.26 -5.03 118.70 117.67 1p80 s GLU 472 Ca 0.22 1.86 0.01 0.00 0.02 0.00 0.00 54.97 57.09 1p80 s GLU 472 Cb -0.10 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 32.32 1p80 s GLU 472 CO 0.14 -1.80 -0.09 0.99 0.02 0.00 0.00 175.26 174.52 1p80 s THR 473 N -1.81 0.98 0.70 3.63 2.01 -1.26 -5.08 115.64 114.82 1p80 s THR 473 Ca 0.77 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 62.26 1p80 s THR 473 Cb -0.32 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.27 1p80 s THR 473 CO 0.44 0.33 1.26 -2.84 -0.69 0.00 0.00 174.62 173.12 1p80 s PRO 474 N 1.05 2.22 0.51 4.92 0.02 -1.26 -1.99 135.00 140.48 1p80 s PRO 474 Ca -0.08 1.95 -0.22 0.00 0.02 0.00 0.00 61.00 62.67 1p80 s PRO 474 Cb -0.14 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 1p80 s PRO 474 CO -0.01 -1.82 1.23 -1.25 -0.33 0.00 0.00 177.00 174.83 1p80 s PRO 475 N -3.66 3.42 0.19 5.54 0.04 -1.26 -1.68 135.00 137.59 1p80 s PRO 475 Ca 0.79 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 63.60 1p80 s PRO 475 Cb -0.34 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 31.99 1p80 s PRO 475 CO 0.44 -0.87 0.75 0.41 0.04 0.00 0.00 177.00 177.76 1p80 n GLY 476 N 0.53 0.88 0.20 0.56 0.00 -1.26 -4.80 105.19 101.31 1p80 n GLY 476 Ca 0.09 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 45.01 1p80 n GLY 476 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p80 h PRO 477 N 0.00 0.06 -2.80 1.61 0.13 -1.95 -3.40 132.00 125.65 1p80 h PRO 477 Ca -0.23 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 1p80 h PRO 477 Cb 0.94 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.83 1p80 h PRO 477 CO 0.30 0.36 -0.24 0.15 -0.23 0.00 0.00 178.00 178.33 1p80 s LYS 478 N -4.36 0.51 -1.40 0.86 1.02 -1.26 -4.87 119.74 110.24 1p80 s LYS 478 Ca -0.04 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.37 1p80 s LYS 478 Cb 0.15 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.71 1p80 s LYS 478 CO 0.73 -0.08 0.12 0.54 -0.92 0.00 0.00 175.35 175.73 1p80 n ARG 479 N 2.57 -2.47 -3.11 1.68 5.12 -1.26 -4.97 116.66 114.22 1p80 n ARG 479 Ca -0.15 0.77 -0.18 0.00 -1.93 0.00 0.00 57.85 56.37 1p80 n ARG 479 Cb 0.57 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.43 1p80 n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1p80 s GLY 480 N -2.18 1.93 0.70 -0.13 0.00 -1.26 -4.95 107.32 101.43 1p80 s GLY 480 Ca 0.07 -1.67 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 1p80 s GLY 480 CO 0.09 -1.50 1.08 -0.32 0.00 0.00 0.00 173.10 172.45 1p80 s GLY 481 N -4.31 1.83 0.07 0.20 0.00 -0.68 -4.79 107.32 99.64 1p80 s GLY 481 Ca 0.53 0.28 -0.30 0.00 0.00 0.00 0.00 44.72 45.23 1p80 s GLY 481 CO 0.32 0.61 1.11 -0.12 0.00 0.00 0.00 173.10 175.03 1p80 s PHE 482 N -2.78 3.55 -0.03 1.90 5.36 -1.26 -4.04 117.98 120.68 1p80 s PHE 482 Ca 0.62 1.49 0.01 0.00 -0.96 0.00 0.00 56.93 58.09 1p80 s PHE 482 Cb -0.17 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.24 1p80 s PHE 482 CO 0.50 -0.73 -0.04 -2.00 -1.46 0.00 0.00 175.22 171.49 1p80 s GLU 483 N 0.71 0.65 0.42 10.12 2.12 -1.26 -4.96 118.70 126.50 1p80 s GLU 483 Ca 0.54 -0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.55 1p80 s GLU 483 Cb -0.27 -0.68 -0.08 0.00 0.26 0.00 0.00 34.13 33.36 1p80 s GLU 483 CO 0.30 -0.04 1.11 -1.12 -0.54 0.00 0.00 175.26 174.97 1p80 s SER 484 N 0.70 6.49 0.20 -1.70 0.01 -1.26 -4.98 113.70 113.16 1p80 s SER 484 Ca -0.09 2.18 -0.31 0.00 1.31 0.00 0.00 55.95 59.05 1p80 s SER 484 Cb -0.12 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.41 1p80 s SER 484 CO -0.00 -0.69 1.55 -0.47 0.41 0.00 0.00 173.24 174.04 1p80 s TYR 485 N -1.59 3.01 -1.33 2.43 5.04 -1.26 -4.87 117.35 118.79 1p80 s TYR 485 Ca 0.60 0.73 -0.14 0.00 -2.44 0.00 0.00 57.07 55.82 1p80 s TYR 485 Cb -0.26 -3.93 -0.03 0.00 0.35 0.00 0.00 41.96 38.09 1p80 s TYR 485 CO 0.32 -3.30 2.34 1.04 -1.34 0.00 0.00 175.55 174.61 1p80 n GLN 486 N 3.38 2.74 -2.17 4.97 6.02 -1.26 -4.94 117.38 126.12 1p80 n GLN 486 Ca 0.12 -2.26 -0.41 0.00 -0.01 0.00 0.00 57.00 54.44 1p80 n GLN 486 Cb 0.39 -3.03 -0.03 0.00 1.02 0.00 0.00 30.24 28.59 1p80 n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1p80 s GLU 487 N 3.29 4.38 0.11 -1.09 2.12 -1.26 -4.96 118.70 121.29 1p80 s GLU 487 Ca 0.54 2.13 -0.30 0.00 0.36 0.00 0.00 54.97 57.69 1p80 s GLU 487 Cb 0.15 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 31.34 1p80 s GLU 487 CO -0.04 -0.20 1.15 0.50 -0.54 0.00 0.00 175.26 176.13 1p80 s ARG 488 N -0.98 4.50 -0.11 4.30 3.52 -1.26 -5.03 118.95 123.90 1p80 s ARG 488 Ca 0.53 1.74 0.01 0.00 -0.13 0.00 0.00 55.73 57.87 1p80 s ARG 488 Cb -0.38 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1p80 s ARG 488 CO 0.45 -0.11 -0.15 0.08 -0.81 0.00 0.00 175.30 174.77 1p80 s VAL 489 N 0.48 2.94 -0.24 7.11 1.01 -1.26 -5.11 120.40 125.33 1p80 s VAL 489 Ca 0.54 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1p80 s VAL 489 Cb -0.29 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 33.98 1p80 s VAL 489 CO 0.32 0.54 0.54 -0.70 0.00 0.00 0.00 175.10 175.80 1p80 s GLU 490 N 0.14 0.49 0.00 2.72 2.12 -1.26 -5.15 118.70 117.76 1p80 s GLU 490 Ca -0.07 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.41 1p80 s GLU 490 Cb -0.15 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1p80 s GLU 490 CO 0.05 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 1p80 n GLY 491 N 4.98 -0.20 3.95 -1.50 0.00 -1.26 -5.15 105.19 106.02 1p80 n GLY 491 Ca -0.15 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 1p80 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p80 s ASN 492 N 0.00 6.00 -0.37 1.61 0.01 -1.26 -5.02 114.94 115.91 1p80 s ASN 492 Ca 0.00 0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 52.25 1p80 s ASN 492 Cb 0.00 -1.73 -0.00 0.00 0.41 0.00 0.00 41.25 39.92 1p80 s ASN 492 CO 0.00 -0.58 1.54 -0.54 -1.51 0.00 0.00 177.10 176.02 1p80 s LYS 493 N -4.50 3.52 0.03 -0.60 1.02 -1.26 -4.97 119.74 112.97 1p80 s LYS 493 Ca 0.46 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.60 1p80 s LYS 493 Cb -0.10 -4.08 -0.02 0.00 -0.52 0.00 0.00 37.83 33.11 1p80 s LYS 493 CO 0.38 -1.63 -0.04 0.14 -0.92 0.00 0.00 175.35 173.28 1p80 s VAL 494 N 5.86 0.22 -0.84 3.17 -7.23 -1.26 -5.07 120.40 115.25 1p80 s VAL 494 Ca 0.68 -1.05 -0.09 0.00 -1.81 0.00 0.00 61.98 59.71 1p80 s VAL 494 Cb -0.17 -0.48 0.22 0.00 0.56 0.00 0.00 36.38 36.50 1p80 s VAL 494 CO 0.33 -0.53 0.75 -0.13 -0.31 0.00 0.00 175.10 175.21 1p80 s ARG 495 N -1.77 3.41 -0.13 4.82 0.52 -1.26 -5.00 118.95 119.54 1p80 s ARG 495 Ca -0.12 -2.74 -0.09 0.00 -0.52 0.00 0.00 55.73 52.26 1p80 s ARG 495 Cb -0.08 -4.21 0.04 0.00 0.52 0.00 0.00 34.95 31.22 1p80 s ARG 495 CO -0.02 -1.25 0.33 -2.00 0.02 0.00 0.00 175.30 172.38 1p80 s GLU 496 N -0.37 0.33 0.11 3.54 2.12 -1.26 -5.14 118.70 118.03 1p80 s GLU 496 Ca 0.21 0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.82 1p80 s GLU 496 Cb -0.12 0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.24 1p80 s GLU 496 CO -0.08 -0.11 0.95 0.50 -0.54 0.00 0.00 175.26 175.98 1p80 s ARG 497 N 0.86 4.69 0.33 4.30 6.06 -1.26 -5.00 118.95 128.92 1p80 s ARG 497 Ca -0.06 1.43 -0.29 0.00 -2.50 0.00 0.00 55.73 54.32 1p80 s ARG 497 Cb -0.06 -3.38 -0.11 0.00 0.06 0.00 0.00 34.95 31.46 1p80 s ARG 497 CO -0.06 0.22 1.43 0.45 -2.50 0.00 0.00 175.30 174.84 1p80 s SER 498 N -0.01 6.54 0.57 -2.12 0.15 -1.26 -4.88 113.70 112.69 1p80 s SER 498 Ca 0.46 2.85 0.26 0.00 0.70 0.00 0.00 55.95 60.23 1p80 s SER 498 Cb -0.23 -2.65 1.64 0.00 -1.71 0.00 0.00 66.02 63.07 1p80 s SER 498 CO 0.29 -0.74 2.19 -0.65 1.20 0.00 0.00 173.24 175.54 1p80 h PRO 499 N 3.72 0.00 0.00 5.44 0.11 -2.00 -0.65 132.00 138.62 1p80 h PRO 499 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p80 h PRO 499 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1p80 h PRO 499 CO 0.69 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 1p80 h SER 500 N 0.00 0.00 0.31 -2.05 4.64 -2.01 -2.32 113.55 112.11 1p80 h SER 500 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1p80 h SER 500 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1p80 h SER 500 CO -0.00 0.00 -0.57 0.49 -0.87 0.00 0.00 176.83 175.88 1p80 n PHE 501 N -2.31 0.00 -0.78 4.77 3.01 -0.25 -4.22 117.46 117.68 1p80 n PHE 501 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.39 1p80 n PHE 501 Cb 0.16 -0.15 -0.11 0.00 -0.01 0.00 0.00 39.48 39.37 1p80 n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p80 n GLY 502 N 1.47 2.69 2.76 1.37 0.00 -0.88 -4.75 105.19 107.85 1p80 n GLY 502 Ca 0.07 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1p80 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p80 s GLU 503 N 0.87 0.45 0.00 1.61 -6.30 -1.26 -5.06 118.70 109.00 1p80 s GLU 503 Ca 0.43 0.15 0.00 0.00 -2.50 0.00 0.00 54.97 53.06 1p80 s GLU 503 Cb 0.21 -0.83 -0.00 0.00 0.00 0.00 0.00 34.13 33.51 1p80 s GLU 503 CO 0.00 -0.28 0.16 0.66 0.02 0.00 0.00 175.26 175.81 1p80 n TYR 504 N 5.04 0.00 -0.01 5.30 4.01 -1.26 -4.86 117.16 125.38 1p80 n TYR 504 Ca -0.09 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.68 1p80 n TYR 504 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 1p80 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p80 n TYR 505 N -0.72 0.00 -0.11 -0.72 4.01 -1.26 -4.58 117.16 113.78 1p80 n TYR 505 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1p80 n TYR 505 Cb 0.01 -0.22 0.14 0.00 -0.31 0.00 0.00 39.34 38.96 1p80 n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p80 h SER 506 N 0.00 0.78 -0.24 7.72 4.64 -1.89 -1.79 113.55 122.77 1p80 h SER 506 Ca -0.03 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 60.98 1p80 h SER 506 Cb 0.53 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1p80 h SER 506 CO 0.00 0.88 -0.24 0.45 -0.87 0.00 0.00 176.83 177.05 1p80 h HIS 507 N 0.74 0.70 -0.73 4.77 3.86 -1.90 -0.88 115.15 121.71 1p80 h HIS 507 Ca 0.14 -0.21 0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1p80 h HIS 507 Cb 0.52 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.77 1p80 h HIS 507 CO 0.03 0.92 0.37 -1.35 0.86 0.00 0.00 177.93 178.75 1p80 h PRO 508 N 0.29 0.60 -0.42 2.45 0.11 -1.80 -0.35 132.00 132.88 1p80 h PRO 508 Ca 0.04 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1p80 h PRO 508 Cb 0.80 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1p80 h PRO 508 CO 0.06 0.40 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.14 1p80 h ARG 509 N 0.62 0.75 -0.93 1.05 2.43 -1.15 -1.17 114.38 115.97 1p80 h ARG 509 Ca 0.36 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1p80 h ARG 509 Cb 0.39 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 1p80 h ARG 509 CO -0.28 0.84 0.61 1.25 -1.51 0.00 0.00 179.97 180.88 1p80 h LEU 510 N 0.58 1.02 0.15 3.80 5.85 -0.45 -0.71 115.31 125.56 1p80 h LEU 510 Ca 0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1p80 h LEU 510 Cb 0.51 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1p80 h LEU 510 CO 0.03 0.71 -0.07 0.15 -0.34 0.00 0.00 178.44 178.91 1p80 h PHE 511 N 1.19 -0.19 -0.41 1.25 3.04 -0.85 -2.65 116.94 118.31 1p80 h PHE 511 Ca 0.37 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.39 1p80 h PHE 511 Cb -0.02 0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.48 1p80 h PHE 511 CO -0.01 -0.07 0.01 2.35 -2.02 0.00 0.00 178.31 178.56 1p80 h TRP 512 N -0.26 -0.01 0.00 0.41 2.91 -0.85 -1.89 115.95 116.26 1p80 h TRP 512 Ca -0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1p80 h TRP 512 Cb 0.20 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1p80 h TRP 512 CO -0.05 -0.07 0.00 -0.07 -1.03 0.00 0.00 178.44 177.22 1p80 h LEU 513 N 0.12 0.00 0.00 0.65 3.38 -1.05 -2.59 115.31 115.82 1p80 h LEU 513 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1p80 h LEU 513 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1p80 h LEU 513 CO -0.33 0.00 -0.34 -1.20 0.09 0.00 0.00 178.44 176.66 1p80 n SER 514 N -2.51 0.37 -4.84 -0.43 7.64 -0.72 -4.83 113.62 108.29 1p80 n SER 514 Ca 0.02 0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 1p80 n SER 514 Cb 0.27 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1p80 n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p80 s GLN 515 N -3.02 4.02 0.97 1.43 -1.52 -0.98 -4.31 119.66 116.25 1p80 s GLN 515 Ca 0.12 0.78 -0.12 0.00 -1.95 0.00 0.00 55.36 54.19 1p80 s GLN 515 Cb 0.18 -2.33 0.17 0.00 -0.22 0.00 0.00 33.01 30.81 1p80 s GLN 515 CO 0.64 0.04 1.09 0.95 -0.25 0.00 0.00 175.29 177.76 1p80 s THR 516 N -2.16 2.33 0.25 -0.19 -4.23 -1.26 -4.76 115.64 105.62 1p80 s THR 516 Ca 0.56 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1p80 s THR 516 Cb -0.10 -2.54 0.25 0.00 1.34 0.00 0.00 72.50 71.46 1p80 s THR 516 CO 0.20 -0.14 1.91 -0.65 -0.54 0.00 0.00 174.62 175.39 1p80 h PRO 517 N -1.82 1.22 -0.09 3.99 0.11 -1.97 0.27 132.00 133.70 1p80 h PRO 517 Ca -0.53 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.36 1p80 h PRO 517 Cb 1.31 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1p80 h PRO 517 CO 0.55 0.81 -0.58 0.27 -0.21 0.00 0.00 178.00 178.83 1p80 h PHE 518 N 1.25 0.37 -0.38 0.65 -0.00 -1.97 -1.75 116.94 115.12 1p80 h PHE 518 Ca 0.38 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.97 58.11 1p80 h PHE 518 Cb -0.03 -0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 35.84 1p80 h PHE 518 CO -0.00 0.80 -0.18 0.93 -0.00 0.00 0.00 178.31 179.86 1p80 h GLU 519 N 0.22 0.72 -0.54 6.09 5.08 -1.69 -1.48 114.58 122.97 1p80 h GLU 519 Ca -0.00 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1p80 h GLU 519 Cb 1.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1p80 h GLU 519 CO 0.09 0.85 0.21 1.96 -1.00 0.00 0.00 179.01 181.13 1p80 h GLN 520 N 0.64 0.82 -0.66 2.33 4.20 -0.78 -1.53 115.11 120.13 1p80 h GLN 520 Ca 0.10 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1p80 h GLN 520 Cb 0.66 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 1p80 h GLN 520 CO 0.05 0.71 0.42 -0.09 -0.67 0.00 0.00 178.83 179.25 1p80 h ARG 521 N 0.74 0.81 -0.24 1.46 9.65 -0.94 -0.08 114.38 125.78 1p80 h ARG 521 Ca 0.18 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1p80 h ARG 521 Cb 0.21 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1p80 h ARG 521 CO -0.01 0.53 -0.09 0.45 2.80 0.00 0.00 179.97 183.65 1p80 h HIS 522 N 0.83 0.40 -0.11 2.20 3.86 -1.04 0.57 115.15 121.87 1p80 h HIS 522 Ca 0.26 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1p80 h HIS 522 Cb -0.02 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 1p80 h HIS 522 CO -0.04 0.48 0.01 0.82 0.86 0.00 0.00 177.93 180.06 1p80 h ILE 523 N 0.37 1.23 -0.52 2.45 2.04 -0.53 -0.13 117.51 122.41 1p80 h ILE 523 Ca 0.07 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.28 1p80 h ILE 523 Cb 0.39 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1p80 h ILE 523 CO 0.02 0.21 0.22 0.58 0.00 0.00 0.00 178.15 179.18 1p80 h VAL 524 N -0.06 0.88 -0.35 1.67 2.07 -0.70 -1.70 116.25 118.05 1p80 h VAL 524 Ca 0.03 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1p80 h VAL 524 Cb 0.31 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1p80 h VAL 524 CO 0.00 0.08 -0.08 0.44 0.02 0.00 0.00 177.57 178.03 1p80 h ASP 525 N 0.42 0.57 0.27 0.57 3.45 -0.70 -0.98 116.42 120.02 1p80 h ASP 525 Ca 0.24 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 1p80 h ASP 525 Cb 0.22 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1p80 h ASP 525 CO -0.22 0.70 -0.13 1.23 -1.57 0.00 0.00 179.24 179.26 1p80 h GLY 526 N 0.93 -0.37 0.57 2.75 0.00 -0.44 -0.32 103.07 106.19 1p80 h GLY 526 Ca 0.10 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1p80 h GLY 526 CO 0.03 -0.14 0.22 0.74 0.00 0.00 0.00 176.54 177.39 1p80 h PHE 527 N -0.58 0.39 -0.42 5.60 0.04 -1.26 -1.41 116.94 119.30 1p80 h PHE 527 Ca -0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1p80 h PHE 527 Cb 0.42 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1p80 h PHE 527 CO -0.00 0.15 0.25 0.77 -0.60 0.00 0.00 178.31 178.87 1p80 h SER 528 N 0.42 0.51 -0.02 2.17 0.02 -1.05 0.37 113.55 115.96 1p80 h SER 528 Ca 0.25 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1p80 h SER 528 Cb 0.24 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1p80 h SER 528 CO -0.22 0.42 0.00 0.15 -1.14 0.00 0.00 176.83 176.04 1p80 h PHE 529 N 0.55 0.04 -0.36 3.45 3.04 -0.90 -2.12 116.94 120.64 1p80 h PHE 529 Ca 0.15 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1p80 h PHE 529 Cb 0.01 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 1p80 h PHE 529 CO -0.03 0.28 0.22 0.93 -2.02 0.00 0.00 178.31 177.68 1p80 h GLU 530 N -0.21 0.44 0.00 1.11 4.39 -1.13 -2.49 114.58 116.69 1p80 h GLU 530 Ca 0.01 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1p80 h GLU 530 Cb 0.26 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1p80 h GLU 530 CO 0.00 0.29 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.88 1p80 h LEU 531 N 0.45 0.00 -1.65 1.33 3.38 -0.92 -1.87 115.31 116.04 1p80 h LEU 531 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1p80 h LEU 531 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1p80 h LEU 531 CO -0.05 0.19 -0.04 0.77 0.09 0.00 0.00 178.44 179.40 1p80 h SER 532 N 0.00 0.00 -0.05 -0.43 4.64 -0.92 -1.32 113.55 115.47 1p80 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p80 h SER 532 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1p80 h SER 532 CO 0.02 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1p80 n LYS 533 N -3.16 1.70 -2.97 4.77 4.76 -0.70 -4.80 118.16 117.75 1p80 n LYS 533 Ca -0.00 -1.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.00 1p80 n LYS 533 Cb 0.29 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 1p80 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1p80 s VAL 534 N -1.95 4.83 0.21 -0.18 1.01 -0.50 -4.54 120.40 119.27 1p80 s VAL 534 Ca 0.37 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1p80 s VAL 534 Cb 0.20 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1p80 s VAL 534 CO 0.32 -0.20 1.51 0.58 0.00 0.00 0.00 175.10 177.31 1p80 h VAL 535 N 5.56 1.37 -3.37 2.92 2.07 -1.87 -3.42 116.25 119.52 1p80 h VAL 535 Ca -0.25 -1.98 -0.60 0.00 0.82 0.00 0.00 66.70 64.69 1p80 h VAL 535 Cb 1.10 1.98 -0.11 0.00 -1.52 0.00 0.00 31.29 32.74 1p80 h VAL 535 CO 0.87 0.59 0.61 -0.13 0.02 0.00 0.00 177.57 179.53 1p80 s ARG 536 N -3.77 3.42 0.39 1.57 0.52 -1.26 -4.93 118.95 114.89 1p80 s ARG 536 Ca -0.05 -0.06 0.11 0.00 -0.52 0.00 0.00 55.73 55.20 1p80 s ARG 536 Cb 0.11 -4.00 0.90 0.00 0.52 0.00 0.00 34.95 32.48 1p80 s ARG 536 CO 0.82 -1.41 1.94 -1.35 0.02 0.00 0.00 175.30 175.33 1p80 h PRO 537 N 9.25 0.56 -0.06 3.54 0.11 -1.98 -1.72 132.00 141.69 1p80 h PRO 537 Ca -0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1p80 h PRO 537 Cb 1.07 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1p80 h PRO 537 CO 1.07 0.37 0.01 0.10 -0.21 0.00 0.00 178.00 179.34 1p80 h TYR 538 N 0.58 0.08 -0.50 0.65 -0.00 -1.97 -1.41 116.97 114.40 1p80 h TYR 538 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.00 1p80 h TYR 538 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 36.73 37.21 1p80 h TYR 538 CO -0.00 0.08 0.05 0.82 -0.00 0.00 0.00 178.16 179.11 1p80 h ILE 539 N 0.08 1.26 -0.66 -0.90 2.04 -1.72 -1.18 117.51 116.43 1p80 h ILE 539 Ca 0.02 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1p80 h ILE 539 Cb 0.04 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1p80 h ILE 539 CO -0.00 0.35 0.39 0.03 0.00 0.00 0.00 178.15 178.91 1p80 h ARG 540 N 0.71 0.72 -0.75 2.37 3.08 -1.34 -1.51 114.38 117.67 1p80 h ARG 540 Ca 0.15 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1p80 h ARG 540 Cb 0.44 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1p80 h ARG 540 CO 0.02 0.47 0.32 0.93 -1.07 0.00 0.00 179.97 180.64 1p80 h GLU 541 N 0.74 1.10 -0.22 0.04 5.08 -1.11 -1.49 114.58 118.73 1p80 h GLU 541 Ca 0.28 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1p80 h GLU 541 Cb 0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1p80 h GLU 541 CO -0.14 0.89 -0.31 0.00 -1.00 0.00 0.00 179.01 178.45 1p80 h ARG 542 N 1.07 0.44 -0.30 2.33 3.08 -0.82 -1.24 114.38 118.95 1p80 h ARG 542 Ca 0.25 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 1p80 h ARG 542 Cb 0.18 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1p80 h ARG 542 CO -0.02 0.71 -0.48 0.28 -1.07 0.00 0.00 179.97 179.39 1p80 h VAL 543 N 0.39 1.29 -0.81 2.04 2.07 -0.96 -2.34 116.25 117.91 1p80 h VAL 543 Ca 0.05 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 1p80 h VAL 543 Cb 0.73 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1p80 h VAL 543 CO 0.06 0.54 0.40 0.58 0.02 0.00 0.00 177.57 179.17 1p80 h VAL 544 N 0.63 1.25 -0.73 2.57 2.07 -1.04 -0.43 116.25 120.57 1p80 h VAL 544 Ca 0.03 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1p80 h VAL 544 Cb 1.06 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1p80 h VAL 544 CO 0.10 0.29 0.32 -0.78 0.02 0.00 0.00 177.57 177.53 1p80 h ASP 545 N 1.15 0.97 -0.48 0.57 1.82 -1.01 -1.61 116.42 117.84 1p80 h ASP 545 Ca 0.28 -0.13 -0.10 0.00 -0.39 0.00 0.00 57.03 56.69 1p80 h ASP 545 Cb 0.09 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.83 1p80 h ASP 545 CO -0.04 0.85 -0.08 1.56 -1.61 0.00 0.00 179.24 179.92 1p80 h GLN 546 N 1.05 0.95 0.00 0.28 1.08 -0.70 -2.53 115.11 115.25 1p80 h GLN 546 Ca 0.25 -0.33 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1p80 h GLN 546 Cb 0.16 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1p80 h GLN 546 CO -0.03 0.99 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.65 1p80 h LEU 547 N 0.85 0.00 -1.55 1.46 3.38 -0.53 -1.21 115.31 117.71 1p80 h LEU 547 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1p80 h LEU 547 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1p80 h LEU 547 CO 0.04 0.12 -0.08 0.00 0.09 0.00 0.00 178.44 178.61 1p80 h ALA 548 N 1.88 1.04 0.00 1.53 0.00 -0.87 -0.77 119.26 122.07 1p80 h ALA 548 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1p80 h ALA 548 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1p80 h ALA 548 CO 0.02 0.10 -0.03 0.72 0.00 0.00 0.00 179.25 180.06 1p80 n HIS 549 N -3.25 0.31 -0.12 0.00 8.25 -0.46 -4.21 115.22 115.75 1p80 n HIS 549 Ca -0.00 0.09 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 1p80 n HIS 549 Cb 0.31 -0.64 -0.07 0.00 1.12 0.00 0.00 29.99 30.71 1p80 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1p80 n ILE 550 N -1.76 1.51 -3.63 1.59 5.41 -0.38 -4.21 119.36 117.89 1p80 n ILE 550 Ca 0.06 -0.14 -0.04 0.00 1.00 0.00 0.00 62.75 63.63 1p80 n ILE 550 Cb 0.37 -2.09 -0.06 0.00 -0.71 0.00 0.00 39.64 37.15 1p80 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p80 s ASP 551 N -6.78 -0.92 0.30 4.38 -1.08 -0.69 -4.66 116.67 107.21 1p80 s ASP 551 Ca -0.34 1.40 0.01 0.00 -0.52 0.00 0.00 52.55 53.10 1p80 s ASP 551 Cb 0.10 1.63 0.47 0.00 -1.46 0.00 0.00 42.92 43.66 1p80 s ASP 551 CO 0.46 -0.21 1.85 0.25 0.52 0.00 0.00 175.17 178.04 1p80 h LEU 552 N 7.18 0.69 -0.23 -1.34 7.12 -1.80 -1.45 115.31 125.47 1p80 h LEU 552 Ca -0.26 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.61 1p80 h LEU 552 Cb 1.18 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 1p80 h LEU 552 CO 0.14 0.69 0.05 0.74 -0.13 0.00 0.00 178.44 179.93 1p80 h THR 553 N 0.72 1.22 -0.13 1.05 2.02 -1.97 -0.85 112.91 114.97 1p80 h THR 553 Ca 0.16 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1p80 h THR 553 Cb 0.27 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1p80 h THR 553 CO -0.00 0.23 -0.05 0.25 0.37 0.00 0.00 175.52 176.32 1p80 h LEU 554 N 0.20 -0.16 -0.52 2.58 6.46 -1.89 -1.56 115.31 120.42 1p80 h LEU 554 Ca 0.07 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1p80 h LEU 554 Cb 0.30 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1p80 h LEU 554 CO 0.00 -0.06 0.30 0.00 -0.62 0.00 0.00 178.44 178.06 1p80 h ALA 555 N 1.10 0.66 -0.59 1.25 0.00 -1.16 -1.80 119.26 118.73 1p80 h ALA 555 Ca 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1p80 h ALA 555 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1p80 h ALA 555 CO -0.15 0.15 0.06 1.96 0.00 0.00 0.00 179.25 181.28 1p80 h GLN 556 N 0.69 0.97 -0.35 0.00 4.20 -0.98 0.39 115.11 120.03 1p80 h GLN 556 Ca 0.18 -0.26 -0.17 0.00 0.06 0.00 0.00 58.65 58.47 1p80 h GLN 556 Cb 0.01 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1p80 h GLN 556 CO -0.03 0.92 -0.44 0.00 -0.67 0.00 0.00 178.83 178.61 1p80 h ALA 557 N 1.15 0.56 -0.20 3.87 0.00 -1.02 -0.80 119.26 122.82 1p80 h ALA 557 Ca 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1p80 h ALA 557 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1p80 h ALA 557 CO 0.02 0.68 -0.06 0.28 0.00 0.00 0.00 179.25 180.17 1p80 h VAL 558 N 0.72 1.29 -0.55 0.00 2.07 -1.22 -2.78 116.25 115.78 1p80 h VAL 558 Ca 0.05 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1p80 h VAL 558 Cb 1.03 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1p80 h VAL 558 CO 0.10 0.32 0.22 0.00 0.02 0.00 0.00 177.57 178.23 1p80 h ALA 559 N 0.73 0.70 -0.51 1.67 0.00 -0.80 -1.84 119.26 119.20 1p80 h ALA 559 Ca 0.05 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1p80 h ALA 559 Cb 0.52 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1p80 h ALA 559 CO 0.02 -0.17 0.21 -0.22 0.00 0.00 0.00 179.25 179.09 1p80 h LYS 560 N 0.41 0.40 0.00 0.00 3.64 -1.09 -0.63 116.57 119.30 1p80 h LYS 560 Ca 0.27 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1p80 h LYS 560 Cb 0.28 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1p80 h LYS 560 CO -0.25 0.26 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.20 1p80 h ASN 561 N 0.41 0.00 -0.03 4.20 2.35 -1.08 -2.09 115.58 119.34 1p80 h ASN 561 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1p80 h ASN 561 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1p80 h ASN 561 CO -0.22 0.08 0.00 0.18 -1.65 0.00 0.00 177.43 175.82 1p80 n LEU 562 N -3.46 2.68 -1.60 1.61 4.77 -0.38 -4.96 117.00 115.66 1p80 n LEU 562 Ca -0.02 -0.90 -0.14 0.00 -0.03 0.00 0.00 56.01 54.92 1p80 n LEU 562 Cb 0.22 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1p80 n LEU 562 CO 0.28 0.45 -0.18 0.61 -1.33 0.00 0.00 177.39 177.22 1p80 n GLY 563 N 1.31 -0.21 3.59 -0.72 0.00 -0.41 -5.00 105.19 103.76 1p80 n GLY 563 Ca 0.15 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1p80 n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 564 N -2.70 3.82 -0.16 -0.61 1.01 -0.49 -5.02 121.20 117.05 1p80 s ILE 564 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1p80 s ILE 564 Cb -0.00 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1p80 s ILE 564 CO 0.01 0.59 0.03 -1.61 0.00 0.00 0.00 174.94 173.95 1p80 s GLU 565 N -0.69 3.79 0.41 2.79 2.02 -1.26 -3.98 118.70 121.79 1p80 s GLU 565 Ca 0.10 -0.40 -0.24 0.00 0.02 0.00 0.00 54.97 54.45 1p80 s GLU 565 Cb -0.11 -3.09 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 1p80 s GLU 565 CO 0.02 0.31 1.14 -0.51 0.02 0.00 0.00 175.26 176.24 1p80 s LEU 566 N 0.22 4.14 0.85 1.80 1.43 -1.26 -5.03 118.68 120.84 1p80 s LEU 566 Ca 0.02 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.26 1p80 s LEU 566 Cb -0.13 -4.10 0.10 0.00 0.03 0.00 0.00 46.19 42.09 1p80 s LEU 566 CO 0.01 -0.69 1.18 0.42 0.23 0.00 0.00 176.35 177.50 1p80 s THR 567 N -1.49 2.00 0.27 5.49 -4.23 -1.26 -4.88 115.64 111.53 1p80 s THR 567 Ca 0.59 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1p80 s THR 567 Cb -0.28 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 70.73 1p80 s THR 567 CO 0.35 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.63 1p80 h ASP 568 N -1.22 0.71 -0.50 3.99 3.45 -1.98 -1.01 116.42 119.86 1p80 h ASP 568 Ca -0.47 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 56.82 1p80 h ASP 568 Cb 1.32 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.88 1p80 h ASP 568 CO 0.63 0.80 0.33 0.44 -1.57 0.00 0.00 179.24 179.87 1p80 h ASP 569 N 0.68 0.57 -0.60 6.45 3.32 -1.98 -2.36 116.42 122.51 1p80 h ASP 569 Ca 0.13 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1p80 h ASP 569 Cb 0.47 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1p80 h ASP 569 CO 0.02 0.42 0.18 1.56 -1.72 0.00 0.00 179.24 179.70 1p80 h GLN 570 N 0.67 0.97 0.00 3.56 4.20 -1.82 -2.18 115.11 120.51 1p80 h GLN 570 Ca 0.18 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1p80 h GLN 570 Cb -0.07 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1p80 h GLN 570 CO -0.04 0.84 0.00 -0.07 -0.67 0.00 0.00 178.83 178.89 1p80 h LEU 571 N 0.93 0.00 -2.35 1.46 3.38 -0.73 -2.65 115.31 115.36 1p80 h LEU 571 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1p80 h LEU 571 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1p80 h LEU 571 CO -0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.11 1p80 n ASN 572 N -2.93 3.01 -4.71 -0.43 3.02 -0.84 -4.98 115.26 107.39 1p80 n ASN 572 Ca -0.00 -1.88 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 1p80 n ASN 572 Cb 0.21 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1p80 n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1p80 s ILE 573 N -1.17 2.56 0.09 2.41 1.01 -1.00 -4.94 121.20 120.15 1p80 s ILE 573 Ca 0.29 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 1p80 s ILE 573 Cb 0.17 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 1p80 s ILE 573 CO 0.23 0.02 1.07 0.28 0.00 0.00 0.00 174.94 176.54 1p80 s THR 574 N 1.53 4.30 0.75 2.92 -1.32 -1.26 -4.98 115.64 117.58 1p80 s THR 574 Ca 0.73 1.78 -0.15 0.00 -1.21 0.00 0.00 61.69 62.84 1p80 s THR 574 Cb -0.45 -4.14 0.05 0.00 -1.51 0.00 0.00 72.50 66.45 1p80 s THR 574 CO 0.32 0.21 1.23 -2.16 -2.21 0.00 0.00 174.62 172.01 1p80 s PRO 575 N 0.46 1.98 0.72 7.08 0.04 -1.26 -4.98 135.00 139.04 1p80 s PRO 575 Ca 0.52 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 63.29 1p80 s PRO 575 Cb -0.26 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1p80 s PRO 575 CO 0.30 -1.98 1.11 -1.25 0.04 0.00 0.00 177.00 175.23 1p80 s PRO 576 N -3.87 2.47 0.84 0.56 0.04 -1.26 -5.00 135.00 128.78 1p80 s PRO 576 Ca 0.76 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1p80 s PRO 576 Cb -0.32 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.41 1p80 s PRO 576 CO 0.46 -1.50 1.13 -1.25 0.04 0.00 0.00 177.00 175.88 1p80 s PRO 577 N -4.38 1.64 0.86 0.56 0.04 -1.26 -4.93 135.00 127.53 1p80 s PRO 577 Ca 0.66 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1p80 s PRO 577 Cb -0.20 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1p80 s PRO 577 CO 0.48 -2.15 1.10 -0.51 0.04 0.00 0.00 177.00 175.96 1p80 s ASP 578 N -2.94 3.64 -0.50 6.66 -0.00 -1.26 -4.69 116.67 117.57 1p80 s ASP 578 Ca 0.65 1.81 -0.20 0.00 -0.00 0.00 0.00 52.55 54.81 1p80 s ASP 578 Cb -0.21 -2.43 0.05 0.00 -0.00 0.00 0.00 42.92 40.33 1p80 s ASP 578 CO 0.56 -2.59 0.65 -0.69 -0.00 0.00 0.00 175.17 173.11 1p80 s VAL 579 N -2.82 4.83 -1.51 -1.27 1.01 -1.12 -4.33 120.40 115.19 1p80 s VAL 579 Ca 0.64 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 1p80 s VAL 579 Cb -0.19 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 31.95 1p80 s VAL 579 CO 0.57 -0.81 0.79 0.59 0.00 0.00 0.00 175.10 176.25 1p80 n ASN 580 N 6.29 -3.03 0.00 3.32 4.13 -1.26 -1.17 115.26 123.54 1p80 n ASN 580 Ca -0.05 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.33 1p80 n ASN 580 Cb 0.46 -3.54 0.00 0.00 -1.54 0.00 0.00 39.78 35.16 1p80 n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p80 n GLY 581 N -1.66 1.28 3.75 7.41 0.00 -1.26 -5.02 105.19 109.69 1p80 n GLY 581 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1p80 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p80 s LEU 582 N 0.00 4.47 0.00 0.99 1.02 -0.32 -4.94 118.68 119.90 1p80 s LEU 582 Ca 0.00 1.46 0.08 0.00 0.02 0.00 0.00 54.13 55.68 1p80 s LEU 582 Cb 0.00 -3.21 0.19 0.00 0.02 0.00 0.00 46.19 43.19 1p80 s LEU 582 CO 0.00 0.06 1.11 0.29 0.02 0.00 0.00 176.35 177.82 1p80 n LYS 583 N 2.60 2.40 0.00 1.70 5.02 -1.26 -2.81 118.16 125.80 1p80 n LYS 583 Ca -0.03 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1p80 n LYS 583 Cb 0.50 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1p80 n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p80 n LYS 584 N 0.28 0.00 -3.46 1.97 2.85 -1.26 -4.68 118.16 113.85 1p80 n LYS 584 Ca 0.08 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.16 1p80 n LYS 584 Cb 0.35 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.61 1p80 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p80 s ASP 585 N 0.00 1.45 0.64 -5.58 3.68 -1.26 -5.01 116.67 110.59 1p80 s ASP 585 Ca 0.00 -0.35 0.43 0.00 2.13 0.00 0.00 52.55 54.76 1p80 s ASP 585 Cb 0.00 0.43 2.32 0.00 -1.45 0.00 0.00 42.92 44.23 1p80 s ASP 585 CO 0.00 -0.34 2.31 -0.65 0.13 0.00 0.00 175.17 176.62 1p80 h PRO 586 N 8.30 0.00 0.00 4.34 0.11 -1.98 -1.39 132.00 141.38 1p80 h PRO 586 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1p80 h PRO 586 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1p80 h PRO 586 CO 0.30 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.96 1p80 n SER 587 N -3.01 0.26 -0.03 -2.05 3.41 -1.26 -2.09 113.62 108.86 1p80 n SER 587 Ca -0.03 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1p80 n SER 587 Cb 0.07 -0.62 0.48 0.00 -0.26 0.00 0.00 64.21 63.87 1p80 n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p80 n LEU 588 N -1.79 0.30 -4.88 1.04 4.77 -0.52 -4.86 117.00 111.05 1p80 n LEU 588 Ca 0.03 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.89 1p80 n LEU 588 Cb 0.19 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1p80 n LEU 588 CO 0.16 0.07 0.19 -0.55 -1.33 0.00 0.00 177.39 175.93 1p80 s SER 589 N -2.89 6.61 0.11 -1.43 0.15 -0.89 -4.90 113.70 110.46 1p80 s SER 589 Ca 0.16 0.88 -0.06 0.00 0.70 0.00 0.00 55.95 57.62 1p80 s SER 589 Cb 0.19 -2.21 -0.16 0.00 -1.71 0.00 0.00 66.02 62.13 1p80 s SER 589 CO 0.58 -0.06 1.24 -0.07 1.20 0.00 0.00 173.24 176.14 1p80 h LEU 590 N 2.59 0.59 0.00 3.45 3.38 -1.89 -3.40 115.31 120.03 1p80 h LEU 590 Ca -0.47 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1p80 h LEU 590 Cb 1.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1p80 h LEU 590 CO 0.70 1.32 -0.08 -1.22 0.09 0.00 0.00 178.44 179.24 1p80 n TYR 591 N -3.73 0.00 -0.34 1.13 4.01 -1.26 -4.74 117.16 112.23 1p80 n TYR 591 Ca -0.08 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1p80 n TYR 591 Cb 0.89 -0.00 0.23 0.00 -0.31 0.00 0.00 39.34 40.15 1p80 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p80 h ALA 592 N 0.21 1.44 -3.28 -0.72 0.00 -1.86 -3.33 119.26 111.71 1p80 h ALA 592 Ca 0.00 0.04 -0.69 0.00 0.00 0.00 0.00 54.91 54.25 1p80 h ALA 592 Cb 0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 17.79 17.35 1p80 h ALA 592 CO 0.00 0.14 -0.63 0.42 0.00 0.00 0.00 179.25 179.18 1p80 s ILE 593 N -5.96 3.38 0.09 0.00 -1.09 -1.26 -5.08 121.20 111.27 1p80 s ILE 593 Ca -0.12 -1.42 -0.37 0.00 -2.23 0.00 0.00 60.65 56.52 1p80 s ILE 593 Cb 0.22 -3.00 -0.17 0.00 -1.58 0.00 0.00 42.46 37.93 1p80 s ILE 593 CO 0.80 -0.25 1.34 -2.65 -1.23 0.00 0.00 174.94 172.95 1p80 n PRO 594 N 4.70 1.18 -1.77 2.79 -0.01 -1.25 -4.89 135.00 135.75 1p80 n PRO 594 Ca -0.11 0.43 0.01 0.00 -0.01 0.00 0.00 63.50 63.81 1p80 n PRO 594 Cb 0.43 -2.07 0.02 0.00 -0.01 0.00 0.00 33.50 31.87 1p80 n PRO 594 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 1p80 n ASP 595 N 2.54 0.58 -4.77 2.55 5.75 -1.26 -5.13 116.55 116.81 1p80 n ASP 595 Ca 0.18 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.53 1p80 n ASP 595 Cb 0.19 -0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 1p80 n ASP 595 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1p80 s GLY 596 N -2.13 2.92 -0.05 6.12 0.00 -1.26 -3.95 107.32 108.97 1p80 s GLY 596 Ca 0.25 1.48 -0.02 0.00 0.00 0.00 0.00 44.72 46.43 1p80 s GLY 596 CO -0.11 2.18 0.04 -0.35 0.00 0.00 0.00 173.10 174.86 1p80 s ASP 597 N -0.21 1.30 0.28 1.64 -1.08 -1.24 -4.95 116.67 112.41 1p80 s ASP 597 Ca 0.52 0.02 0.20 0.00 -0.52 0.00 0.00 52.55 52.77 1p80 s ASP 597 Cb -0.45 -0.23 0.11 0.00 -1.46 0.00 0.00 42.92 40.89 1p80 s ASP 597 CO 0.59 -0.23 1.31 0.58 0.52 0.00 0.00 175.17 177.94 1p80 h VAL 598 N 6.41 0.31 -2.91 1.11 2.07 -1.89 -3.46 116.25 117.89 1p80 h VAL 598 Ca -0.14 -1.48 -0.52 0.00 0.82 0.00 0.00 66.70 65.37 1p80 h VAL 598 Cb 1.12 2.00 0.06 0.00 -1.52 0.00 0.00 31.29 32.95 1p80 h VAL 598 CO 0.19 0.18 0.91 -0.75 0.02 0.00 0.00 177.57 178.11 1p80 s LYS 599 N -3.13 4.18 0.00 1.57 2.20 -1.25 -1.88 119.74 121.42 1p80 s LYS 599 Ca 0.03 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1p80 s LYS 599 Cb 0.07 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1p80 s LYS 599 CO 0.74 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1p80 n GLY 600 N 3.43 0.75 3.84 5.54 0.00 -0.16 -4.98 105.19 113.61 1p80 n GLY 600 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1p80 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p80 s ARG 601 N -0.75 1.75 0.02 1.61 1.81 -0.79 -4.79 118.95 117.81 1p80 s ARG 601 Ca 0.00 0.29 0.02 0.00 -1.72 0.00 0.00 55.73 54.31 1p80 s ARG 601 Cb 0.00 -1.91 -0.01 0.00 -0.45 0.00 0.00 34.95 32.58 1p80 s ARG 601 CO 0.00 -1.78 -0.06 0.54 -0.68 0.00 0.00 175.30 173.32 1p80 s VAL 602 N -3.38 0.45 -0.05 3.52 0.11 -1.26 -0.43 120.40 119.36 1p80 s VAL 602 Ca 0.62 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 1p80 s VAL 602 Cb -0.13 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1p80 s VAL 602 CO 0.52 -0.12 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.24 1p80 s VAL 603 N -0.70 1.96 0.08 2.04 1.01 0.11 -0.60 120.40 124.30 1p80 s VAL 603 Ca -0.04 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 1p80 s VAL 603 Cb -0.06 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 1p80 s VAL 603 CO 0.00 0.55 0.69 0.00 0.00 0.00 0.00 175.10 176.34 1p80 s ALA 604 N -0.25 3.47 -0.25 5.51 0.00 -0.53 -1.37 121.76 128.33 1p80 s ALA 604 Ca -0.00 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1p80 s ALA 604 Cb -0.12 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1p80 s ALA 604 CO 0.02 0.23 -0.09 0.42 0.00 0.00 0.00 175.76 176.34 1p80 s ILE 605 N -0.65 2.44 -0.50 0.00 1.01 -0.29 -0.91 121.20 122.29 1p80 s ILE 605 Ca 0.34 -1.37 -0.24 0.00 0.00 0.00 0.00 60.65 59.38 1p80 s ILE 605 Cb -0.21 -2.33 0.03 0.00 0.01 0.00 0.00 42.46 39.96 1p80 s ILE 605 CO 0.22 0.08 0.91 -0.76 0.00 0.00 0.00 174.94 175.39 1p80 s LEU 606 N 1.20 4.10 0.69 2.97 1.43 -0.79 -0.85 118.68 127.43 1p80 s LEU 606 Ca -0.05 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1p80 s LEU 606 Cb -0.18 -2.98 0.04 0.00 0.03 0.00 0.00 46.19 43.10 1p80 s LEU 606 CO -0.05 -1.11 1.02 -0.76 0.23 0.00 0.00 176.35 175.68 1p80 s LEU 607 N 3.76 2.91 0.30 1.79 1.43 -0.07 -4.24 118.68 124.56 1p80 s LEU 607 Ca 0.33 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1p80 s LEU 607 Cb -0.12 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1p80 s LEU 607 CO 0.22 -1.43 0.15 0.54 0.23 0.00 0.00 176.35 176.06 1p80 s ASN 608 N -4.43 1.48 0.00 2.29 2.20 -1.26 -4.82 114.94 110.40 1p80 s ASN 608 Ca 0.58 -1.54 0.06 0.00 -0.94 0.00 0.00 52.86 51.02 1p80 s ASN 608 Cb -0.11 0.36 0.36 0.00 -2.00 0.00 0.00 41.25 39.86 1p80 s ASN 608 CO 0.47 -0.87 1.23 -0.90 -2.94 0.00 0.00 177.10 174.08 1p80 n ASP 609 N -0.87 0.00 -2.86 3.54 3.85 -1.26 -3.88 116.55 115.06 1p80 n ASP 609 Ca 0.01 -1.80 -0.12 0.00 -0.71 0.00 0.00 54.79 52.17 1p80 n ASP 609 Cb 0.65 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.46 1p80 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1p80 n GLU 610 N -0.59 0.91 -1.87 0.11 2.13 -1.26 -4.42 120.64 115.65 1p80 n GLU 610 Ca 0.05 -2.25 -0.39 0.00 0.66 0.00 0.00 57.16 55.22 1p80 n GLU 610 Cb 0.02 -1.29 0.02 0.00 0.27 0.00 0.00 31.44 30.46 1p80 n GLU 610 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1p80 s VAL 611 N -0.21 2.23 -0.59 6.31 1.01 -1.25 -2.82 120.40 125.08 1p80 s VAL 611 Ca 0.29 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 1p80 s VAL 611 Cb 0.27 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1p80 s VAL 611 CO -0.12 0.02 1.64 -0.60 0.00 0.00 0.00 175.10 176.03 1p80 s ARG 612 N -2.58 2.98 0.40 2.72 3.52 -0.52 -0.90 118.95 124.57 1p80 s ARG 612 Ca 0.64 0.51 0.16 0.00 -0.13 0.00 0.00 55.73 56.91 1p80 s ARG 612 Cb -0.41 -4.26 1.05 0.00 -1.56 0.00 0.00 34.95 29.77 1p80 s ARG 612 CO 0.51 -2.33 1.83 0.66 -0.81 0.00 0.00 175.30 175.15 1p80 h SER 613 N 12.87 0.46 -0.90 -2.12 4.64 -1.91 -1.24 113.55 125.35 1p80 h SER 613 Ca -0.27 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1p80 h SER 613 Cb 1.13 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1p80 h SER 613 CO 1.20 0.16 0.56 0.00 -0.87 0.00 0.00 176.83 177.88 1p80 h ALA 614 N 1.61 1.30 -0.16 5.18 0.00 -1.99 0.15 119.26 125.34 1p80 h ALA 614 Ca 0.51 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1p80 h ALA 614 Cb 1.22 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1p80 h ALA 614 CO -0.22 0.62 -0.04 -0.44 0.00 0.00 0.00 179.25 179.16 1p80 h ASP 615 N 1.23 0.32 -0.84 0.00 3.45 -1.63 -2.67 116.42 116.28 1p80 h ASP 615 Ca 0.32 -0.37 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 1p80 h ASP 615 Cb -0.08 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 1p80 h ASP 615 CO -0.06 0.61 0.42 0.25 -1.57 0.00 0.00 179.24 178.89 1p80 h LEU 616 N 0.02 1.08 -0.55 1.55 6.46 -1.24 0.21 115.31 122.84 1p80 h LEU 616 Ca 0.04 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1p80 h LEU 616 Cb 0.48 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1p80 h LEU 616 CO 0.02 0.90 0.31 -0.07 -0.62 0.00 0.00 178.44 178.98 1p80 h LEU 617 N 1.18 0.68 -0.45 2.25 3.38 -0.70 0.03 115.31 121.68 1p80 h LEU 617 Ca 0.29 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1p80 h LEU 617 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1p80 h LEU 617 CO -0.04 0.57 -0.00 0.00 0.09 0.00 0.00 178.44 179.05 1p80 h ALA 618 N 1.14 0.61 0.46 1.53 0.00 -1.08 -2.12 119.26 119.80 1p80 h ALA 618 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1p80 h ALA 618 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1p80 h ALA 618 CO -0.03 0.41 -0.22 0.82 0.00 0.00 0.00 179.25 180.22 1p80 h ILE 619 N 0.65 0.50 -0.56 0.00 2.04 -0.37 -2.37 117.51 117.40 1p80 h ILE 619 Ca 0.13 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1p80 h ILE 619 Cb 0.50 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1p80 h ILE 619 CO 0.02 0.05 0.19 -0.07 0.00 0.00 0.00 178.15 178.34 1p80 h LEU 620 N -0.82 0.75 -0.62 1.44 3.38 -1.03 -1.91 115.31 116.50 1p80 h LEU 620 Ca -0.06 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 1p80 h LEU 620 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1p80 h LEU 620 CO 0.10 0.70 -0.65 0.50 0.09 0.00 0.00 178.44 179.19 1p80 h LYS 621 N 0.80 0.16 -0.46 1.13 3.64 -1.43 -1.06 116.57 119.35 1p80 h LYS 621 Ca 0.19 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1p80 h LYS 621 Cb 0.21 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1p80 h LYS 621 CO -0.01 0.75 -0.24 0.00 -2.27 0.00 0.00 179.45 177.68 1p80 h ALA 622 N 1.21 0.69 -0.12 5.00 0.00 -1.01 -1.76 119.26 123.27 1p80 h ALA 622 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1p80 h ALA 622 Cb 1.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1p80 h ALA 622 CO 0.10 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 179.94 1p80 h LEU 623 N 0.83 0.22 -0.78 0.00 3.38 -1.25 -3.16 115.31 114.55 1p80 h LEU 623 Ca 0.10 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.85 1p80 h LEU 623 Cb 0.82 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 1p80 h LEU 623 CO 0.07 0.49 0.41 0.50 0.09 0.00 0.00 178.44 180.01 1p80 h LYS 624 N -0.06 0.66 -0.09 1.13 3.11 -1.11 -0.45 116.57 119.76 1p80 h LYS 624 Ca 0.03 -0.04 0.03 0.00 -2.81 0.00 0.00 60.65 57.86 1p80 h LYS 624 Cb 0.39 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1p80 h LYS 624 CO 0.01 0.44 0.09 0.00 -2.81 0.00 0.00 179.45 177.18 1p80 h ALA 625 N 1.46 1.76 -0.35 5.00 0.00 -1.29 -1.15 119.26 124.69 1p80 h ALA 625 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1p80 h ALA 625 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p80 h ALA 625 CO -0.28 -0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.46 1p80 n LYS 626 N -3.98 2.33 -1.44 0.00 4.76 -0.29 -4.96 118.16 114.58 1p80 n LYS 626 Ca -0.01 -2.04 -0.05 0.00 -2.87 0.00 0.00 58.31 53.35 1p80 n LYS 626 Cb 0.20 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.01 1p80 n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p80 n GLY 627 N 0.94 0.58 3.73 0.72 0.00 -0.43 -3.79 105.19 106.93 1p80 n GLY 627 Ca 0.14 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 1p80 n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p80 s VAL 628 N -2.20 5.25 0.54 1.61 1.01 -0.52 -0.98 120.40 125.10 1p80 s VAL 628 Ca 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1p80 s VAL 628 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1p80 s VAL 628 CO 0.00 0.36 0.85 -1.00 0.00 0.00 0.00 175.10 175.32 1p80 s HIS 629 N 0.51 3.45 0.08 5.22 3.76 0.43 -3.91 115.29 124.82 1p80 s HIS 629 Ca 0.21 0.79 0.04 0.00 -0.15 0.00 0.00 55.06 55.95 1p80 s HIS 629 Cb -0.14 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 1p80 s HIS 629 CO 0.07 -0.53 -0.12 0.00 -0.85 0.00 0.00 174.74 173.31 1p80 s ALA 630 N -2.88 1.10 -0.13 -1.40 0.00 -1.26 -0.71 121.76 116.48 1p80 s ALA 630 Ca 0.51 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1p80 s ALA 630 Cb -0.10 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1p80 s ALA 630 CO 0.46 0.10 -0.06 -1.59 0.00 0.00 0.00 175.76 174.66 1p80 s LYS 631 N -1.99 1.44 -0.35 0.00 -2.85 -0.47 -4.90 119.74 110.62 1p80 s LYS 631 Ca -0.01 -0.31 -0.25 0.00 -1.00 0.00 0.00 55.97 54.40 1p80 s LYS 631 Cb -0.08 -1.68 0.01 0.00 -2.06 0.00 0.00 37.83 34.01 1p80 s LYS 631 CO 0.02 -0.32 0.87 -0.51 0.10 0.00 0.00 175.35 175.50 1p80 s LEU 632 N 1.70 4.05 0.11 2.77 1.43 -1.26 -1.14 118.68 126.34 1p80 s LEU 632 Ca 0.04 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.80 1p80 s LEU 632 Cb -0.13 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 1p80 s LEU 632 CO -0.08 -0.76 -0.06 -0.76 0.23 0.00 0.00 176.35 174.91 1p80 s LEU 633 N 3.26 3.18 0.00 1.79 1.02 -0.03 -0.74 118.68 127.16 1p80 s LEU 633 Ca 0.36 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 54.13 1p80 s LEU 633 Cb -0.13 -1.94 0.01 0.00 0.02 0.00 0.00 46.19 44.16 1p80 s LEU 633 CO 0.16 0.16 0.34 0.00 0.02 0.00 0.00 176.35 177.04 1p80 n TYR 634 N 0.54 -1.25 1.23 0.29 9.36 -0.99 -0.89 117.16 125.44 1p80 n TYR 634 Ca -0.12 -1.36 0.14 0.00 3.32 0.00 0.00 57.90 59.88 1p80 n TYR 634 Cb 0.53 0.39 0.62 0.00 -0.63 0.00 0.00 39.34 40.25 1p80 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p80 n SER 635 N -1.70 0.18 -3.72 2.98 3.41 -1.26 -1.63 113.62 111.88 1p80 n SER 635 Ca -0.01 -0.05 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 1p80 n SER 635 Cb 0.36 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 1p80 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p80 s ARG 636 N -2.74 1.70 0.47 4.33 1.70 -1.26 -4.88 118.95 118.27 1p80 s ARG 636 Ca 0.22 -1.40 -0.01 0.00 -0.47 0.00 0.00 55.73 54.07 1p80 s ARG 636 Cb 0.19 0.48 0.10 0.00 -0.57 0.00 0.00 34.95 35.15 1p80 s ARG 636 CO 0.52 -0.72 0.65 -1.33 -1.08 0.00 0.00 175.30 173.34 1p80 n MET 637 N -0.44 0.04 0.00 3.89 2.81 -1.26 -4.73 117.12 117.43 1p80 n MET 637 Ca -0.02 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 1p80 n MET 637 Cb 0.62 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.66 1p80 n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1p80 n GLY 638 N 0.14 0.89 3.16 3.03 0.00 -1.26 -4.98 105.19 106.17 1p80 n GLY 638 Ca 0.10 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1p80 n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p80 s GLU 639 N 0.00 0.80 0.10 1.61 2.02 -1.26 -0.95 118.70 121.02 1p80 s GLU 639 Ca 0.00 -1.15 0.07 0.00 0.02 0.00 0.00 54.97 53.91 1p80 s GLU 639 Cb 0.00 -0.41 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 1p80 s GLU 639 CO 0.00 0.05 -0.18 0.14 0.02 0.00 0.00 175.26 175.30 1p80 s VAL 640 N -2.62 1.47 -0.21 2.63 -7.23 -0.61 -4.97 120.40 108.88 1p80 s VAL 640 Ca 0.05 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1p80 s VAL 640 Cb -0.02 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1p80 s VAL 640 CO -0.01 -0.19 0.03 -0.89 -0.31 0.00 0.00 175.10 173.74 1p80 s THR 641 N -1.42 4.24 1.14 5.32 2.01 -1.26 -0.41 115.64 125.26 1p80 s THR 641 Ca 0.05 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 1p80 s THR 641 Cb -0.09 -2.94 0.26 0.00 0.01 0.00 0.00 72.50 69.74 1p80 s THR 641 CO 0.04 0.41 1.12 0.00 -0.69 0.00 0.00 174.62 175.49 1p80 s ALA 642 N 1.04 0.78 0.38 7.40 0.00 0.15 -4.16 121.76 127.34 1p80 s ALA 642 Ca 0.03 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1p80 s ALA 642 Cb -0.14 -2.94 0.88 0.00 0.00 0.00 0.00 23.12 20.91 1p80 s ALA 642 CO 0.02 -3.33 1.92 0.38 0.00 0.00 0.00 175.76 174.75 1p80 h ASP 643 N -2.35 0.56 -0.32 0.00 2.03 -1.23 -1.53 116.42 113.57 1p80 h ASP 643 Ca -0.48 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1p80 h ASP 643 Cb 1.30 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1p80 h ASP 643 CO 0.41 0.32 0.00 -0.90 -1.03 0.00 0.00 179.24 178.04 1p80 n ASP 644 N -4.50 2.43 0.00 4.15 3.85 -1.26 -4.93 116.55 116.29 1p80 n ASP 644 Ca 0.14 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.34 1p80 n ASP 644 Cb 0.40 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1p80 n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p80 n GLY 645 N 1.28 0.61 3.71 6.12 0.00 -0.58 -5.05 105.19 111.28 1p80 n GLY 645 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1p80 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p80 s THR 646 N -2.33 2.31 -0.14 2.61 2.01 -1.26 -4.70 115.64 114.13 1p80 s THR 646 Ca 0.00 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 1p80 s THR 646 Cb 0.00 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1p80 s THR 646 CO 0.00 0.00 0.64 -0.69 -0.69 0.00 0.00 174.62 173.89 1p80 s VAL 647 N 1.88 5.04 -0.26 3.82 1.01 -1.26 -0.68 120.40 129.96 1p80 s VAL 647 Ca 0.77 1.27 -0.05 0.00 0.00 0.00 0.00 61.98 63.96 1p80 s VAL 647 Cb -0.48 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1p80 s VAL 647 CO 0.34 0.18 0.03 -0.76 0.00 0.00 0.00 175.10 174.89 1p80 s LEU 648 N 1.37 3.38 0.17 3.92 1.02 0.45 -4.98 118.68 124.00 1p80 s LEU 648 Ca 0.32 -0.50 -0.30 0.00 0.02 0.00 0.00 54.13 53.67 1p80 s LEU 648 Cb -0.16 -1.83 -0.07 0.00 0.02 0.00 0.00 46.19 44.15 1p80 s LEU 648 CO 0.13 -0.09 1.13 -2.16 0.02 0.00 0.00 176.35 175.38 1p80 s PRO 649 N 1.50 4.55 -0.14 1.29 0.04 -1.26 -1.57 135.00 139.41 1p80 s PRO 649 Ca 0.04 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 1p80 s PRO 649 Cb -0.16 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1p80 s PRO 649 CO 0.00 0.00 0.37 0.42 0.04 0.00 0.00 177.00 177.83 1p80 s ILE 650 N -0.06 5.26 0.04 0.56 1.01 -0.12 -4.80 121.20 123.08 1p80 s ILE 650 Ca 0.51 0.72 -0.12 0.00 0.00 0.00 0.00 60.65 61.76 1p80 s ILE 650 Cb -0.30 -3.71 -0.33 0.00 0.01 0.00 0.00 42.46 38.13 1p80 s ILE 650 CO 0.35 0.36 1.01 0.00 0.00 0.00 0.00 174.94 176.65 1p80 h ALA 651 N 6.71 -0.04 -2.40 9.38 0.00 -1.26 -3.41 119.26 128.23 1p80 h ALA 651 Ca -0.41 -0.90 0.15 0.00 0.00 0.00 0.00 54.91 53.75 1p80 h ALA 651 Cb 1.17 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1p80 h ALA 651 CO 0.76 0.82 0.46 0.00 0.00 0.00 0.00 179.25 181.29 1p80 s ALA 652 N -2.62 -1.65 0.64 0.00 0.00 -1.22 -5.04 121.76 111.88 1p80 s ALA 652 Ca -0.08 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1p80 s ALA 652 Cb 0.05 0.62 0.06 0.00 0.00 0.00 0.00 23.12 23.85 1p80 s ALA 652 CO 0.92 -0.97 0.91 0.95 0.00 0.00 0.00 175.76 177.57 1p80 s THR 653 N -3.32 2.43 0.22 0.00 -4.23 -1.26 -2.33 115.64 107.15 1p80 s THR 653 Ca 0.10 -0.47 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 1p80 s THR 653 Cb -0.02 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 71.03 1p80 s THR 653 CO -0.00 0.00 1.87 -0.26 -0.54 0.00 0.00 174.62 175.69 1p80 h PHE 654 N -0.31 0.92 0.00 3.99 0.05 -1.64 -2.20 116.94 117.75 1p80 h PHE 654 Ca -0.43 0.02 -0.16 0.00 3.82 0.00 0.00 57.97 61.23 1p80 h PHE 654 Cb 1.30 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 38.92 1p80 h PHE 654 CO 0.27 0.55 -0.74 0.00 -0.18 0.00 0.00 178.31 178.21 1p80 h ALA 655 N 1.31 0.70 0.00 2.45 0.00 -1.91 -3.27 119.26 118.53 1p80 h ALA 655 Ca 0.30 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1p80 h ALA 655 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1p80 h ALA 655 CO -0.09 0.92 -0.51 0.78 0.00 0.00 0.00 179.25 180.34 1p80 h GLY 656 N 2.49 0.00 -6.23 0.00 0.00 -1.80 -3.35 103.07 94.18 1p80 h GLY 656 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.74 1p80 h GLY 656 CO 0.10 0.00 -0.94 0.00 0.00 0.00 0.00 176.54 175.69 1p80 n ALA 657 N -2.41 2.90 -0.68 3.60 0.00 -0.87 -4.87 120.51 118.17 1p80 n ALA 657 Ca -0.01 -3.64 -0.31 0.00 0.00 0.00 0.00 53.44 49.47 1p80 n ALA 657 Cb 0.54 -0.83 0.17 0.00 0.00 0.00 0.00 19.45 19.33 1p80 n ALA 657 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1p80 n PRO 658 N 1.76 -0.69 0.29 0.00 -0.04 -1.23 -4.86 135.00 130.23 1p80 n PRO 658 Ca 0.25 -0.15 0.18 0.00 -0.04 0.00 0.00 63.50 63.74 1p80 n PRO 658 Cb 0.48 -2.19 1.00 0.00 -0.04 0.00 0.00 33.50 32.75 1p80 n PRO 658 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p80 h SER 659 N -1.91 0.00 -0.61 3.54 4.64 -1.86 -1.71 113.55 115.63 1p80 h SER 659 Ca -0.46 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.02 1p80 h SER 659 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1p80 h SER 659 CO 0.40 0.00 0.43 -0.07 -0.87 0.00 0.00 176.83 176.72 1p80 h LEU 660 N 0.00 0.09 -0.68 5.97 3.38 -1.95 -2.07 115.31 120.06 1p80 h LEU 660 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1p80 h LEU 660 Cb 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1p80 h LEU 660 CO -0.00 0.05 -0.02 0.35 0.09 0.00 0.00 178.44 178.91 1p80 n THR 661 N -4.39 0.00 -4.55 0.22 -2.24 -0.64 -4.91 114.28 97.76 1p80 n THR 661 Ca 0.11 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 1p80 n THR 661 Cb 0.61 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 1p80 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p80 s VAL 662 N -2.05 1.72 -0.07 2.28 -7.23 -0.78 -4.93 120.40 109.34 1p80 s VAL 662 Ca 0.39 -2.02 0.21 0.00 -1.81 0.00 0.00 61.98 58.76 1p80 s VAL 662 Cb 0.21 -2.89 -0.29 0.00 0.56 0.00 0.00 36.38 33.97 1p80 s VAL 662 CO 0.36 -0.02 0.49 0.47 -0.31 0.00 0.00 175.10 176.08 1p80 n ASP 663 N -0.85 0.10 -3.63 4.85 9.92 0.23 -5.00 116.55 122.17 1p80 n ASP 663 Ca -0.04 0.04 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1p80 n ASP 663 Cb 0.67 1.69 -0.02 0.00 -0.64 0.00 0.00 41.12 42.81 1p80 n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p80 s ALA 664 N -3.36 -1.36 -0.04 2.24 0.00 -1.23 -4.19 121.76 113.81 1p80 s ALA 664 Ca -0.07 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1p80 s ALA 664 Cb 0.12 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.12 1p80 s ALA 664 CO 0.89 -0.87 -0.10 0.08 0.00 0.00 0.00 175.76 175.76 1p80 s VAL 665 N -3.83 0.89 -0.06 0.00 1.01 -0.77 -1.45 120.40 116.19 1p80 s VAL 665 Ca 0.06 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1p80 s VAL 665 Cb -0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1p80 s VAL 665 CO -0.04 0.28 -0.21 -0.63 0.00 0.00 0.00 175.10 174.50 1p80 s ILE 666 N 0.38 1.76 -0.26 2.22 1.01 -0.09 -0.66 121.20 125.56 1p80 s ILE 666 Ca -0.07 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1p80 s ILE 666 Cb -0.11 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.91 1p80 s ILE 666 CO 0.01 0.50 -0.07 -0.69 0.00 0.00 0.00 174.94 174.69 1p80 s VAL 667 N 0.02 1.93 0.72 2.92 1.01 0.00 -1.88 120.40 125.12 1p80 s VAL 667 Ca -0.06 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.25 1p80 s VAL 667 Cb -0.13 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1p80 s VAL 667 CO 0.04 -0.12 1.08 -2.16 0.00 0.00 0.00 175.10 173.93 1p80 s PRO 668 N 1.20 2.71 0.85 2.72 0.04 -1.26 -1.71 135.00 139.54 1p80 s PRO 668 Ca -0.06 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1p80 s PRO 668 Cb -0.19 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.47 1p80 s PRO 668 CO -0.06 -1.21 1.15 0.00 0.04 0.00 0.00 177.00 176.92 1p80 n GLY 670 N -2.63 0.04 3.54 0.00 0.00 -1.26 -1.43 105.19 103.44 1p80 n GLY 670 Ca 0.07 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1p80 n GLY 670 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p80 s ASN 671 N -4.00 6.85 0.50 1.61 3.04 -1.13 -4.78 114.94 117.03 1p80 s ASN 671 Ca 0.00 -2.45 0.27 0.00 0.04 0.00 0.00 52.86 50.72 1p80 s ASN 671 Cb 0.00 -2.51 1.29 0.00 -1.54 0.00 0.00 41.25 38.49 1p80 s ASN 671 CO 0.00 -1.09 2.00 0.40 -3.04 0.00 0.00 177.10 175.37 1p80 h ILE 672 N 5.49 0.55 -0.13 -5.21 1.08 -1.93 -2.05 117.51 115.31 1p80 h ILE 672 Ca 0.36 -0.72 0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1p80 h ILE 672 Cb 0.90 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.12 1p80 h ILE 672 CO 1.37 0.15 0.09 0.00 -0.69 0.00 0.00 178.15 179.06 1p80 h ALA 673 N 1.85 2.00 -0.85 1.87 0.00 -1.97 0.16 119.26 122.31 1p80 h ALA 673 Ca -0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1p80 h ALA 673 Cb 0.47 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1p80 h ALA 673 CO 0.02 -0.02 0.48 0.22 0.00 0.00 0.00 179.25 179.95 1p80 h ASP 674 N 0.10 0.66 -0.00 0.00 -0.00 -1.78 -3.18 116.42 112.22 1p80 h ASP 674 Ca 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 57.14 1p80 h ASP 674 Cb 0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.36 1p80 h ASP 674 CO -0.01 0.35 -0.05 2.30 -0.00 0.00 0.00 179.24 181.83 1p80 n ILE 675 N -4.77 0.00 -0.06 2.25 -5.35 -0.82 -4.73 119.36 105.89 1p80 n ILE 675 Ca 0.15 -0.47 0.14 0.00 -0.27 0.00 0.00 62.75 62.30 1p80 n ILE 675 Cb 0.33 1.08 0.55 0.00 -1.74 0.00 0.00 39.64 39.86 1p80 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p80 h ALA 676 N 0.87 2.12 -0.41 -1.28 0.00 -0.69 -0.95 119.26 118.93 1p80 h ALA 676 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1p80 h ALA 676 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1p80 h ALA 676 CO 0.00 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 1p80 n ASP 677 N -4.46 3.28 -4.64 0.00 10.43 -1.26 -4.91 116.55 114.99 1p80 n ASP 677 Ca 0.10 -2.13 -0.43 0.00 2.57 0.00 0.00 54.79 54.89 1p80 n ASP 677 Cb 0.42 -0.32 -0.02 0.00 1.84 0.00 0.00 41.12 43.04 1p80 n ASP 677 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1p80 s ASN 678 N -1.09 6.73 0.21 -2.24 3.84 -0.36 -4.92 114.94 117.10 1p80 s ASN 678 Ca 0.30 1.35 -0.09 0.00 0.21 0.00 0.00 52.86 54.64 1p80 s ASN 678 Cb 0.17 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.60 1p80 s ASN 678 CO 0.18 -1.01 1.78 1.23 -2.79 0.00 0.00 177.10 176.49 1p80 h GLY 679 N 10.63 0.94 0.99 1.21 0.00 -1.92 -2.25 103.07 112.66 1p80 h GLY 679 Ca -0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1p80 h GLY 679 CO 1.02 0.08 0.31 -0.55 0.00 0.00 0.00 176.54 177.40 1p80 h ASP 680 N 0.57 0.63 -0.32 0.19 3.45 -1.95 0.16 116.42 119.15 1p80 h ASP 680 Ca 0.30 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.69 1p80 h ASP 680 Cb 0.27 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1p80 h ASP 680 CO -0.23 0.51 0.17 0.00 -1.57 0.00 0.00 179.24 178.11 1p80 h ALA 681 N 1.15 0.41 -0.58 3.45 0.00 -1.77 0.59 119.26 122.52 1p80 h ALA 681 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1p80 h ALA 681 Cb -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1p80 h ALA 681 CO -0.03 -0.04 0.22 -0.91 0.00 0.00 0.00 179.25 178.48 1p80 h ASN 682 N 0.39 0.80 -0.16 0.00 2.35 -1.30 -2.90 115.58 114.75 1p80 h ASN 682 Ca 0.11 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1p80 h ASN 682 Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1p80 h ASN 682 CO -0.02 0.76 -0.11 0.22 -1.65 0.00 0.00 177.43 176.64 1p80 h TYR 683 N 0.80 0.55 -0.40 1.19 5.03 -0.75 -1.62 116.97 121.77 1p80 h TYR 683 Ca 0.19 -0.08 0.08 0.00 2.58 0.00 0.00 58.73 61.50 1p80 h TYR 683 Cb 0.21 -0.15 -0.07 0.00 1.55 0.00 0.00 36.73 38.28 1p80 h TYR 683 CO 0.01 0.61 -0.03 -0.92 -1.32 0.00 0.00 178.16 176.51 1p80 h TYR 684 N 0.48 -0.08 -0.39 -3.82 5.03 -0.68 0.19 116.97 117.70 1p80 h TYR 684 Ca 0.09 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.31 1p80 h TYR 684 Cb 0.47 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1p80 h TYR 684 CO 0.02 -0.11 -0.27 -0.07 -1.32 0.00 0.00 178.16 176.41 1p80 h LEU 685 N 0.07 0.84 -0.39 2.82 3.38 -1.38 -1.80 115.31 118.85 1p80 h LEU 685 Ca 0.20 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1p80 h LEU 685 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1p80 h LEU 685 CO -0.36 1.05 0.18 0.24 0.09 0.00 0.00 178.44 179.64 1p80 h MET 686 N 0.70 0.57 -0.19 1.13 2.86 -0.44 0.14 114.93 119.70 1p80 h MET 686 Ca 0.09 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1p80 h MET 686 Cb 0.80 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1p80 h MET 686 CO 0.07 0.52 0.09 1.49 1.06 0.00 0.00 176.91 180.14 1p80 h GLU 687 N 0.49 0.26 -0.81 1.72 4.81 -0.60 -0.31 114.58 120.14 1p80 h GLU 687 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1p80 h GLU 687 Cb 0.15 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1p80 h GLU 687 CO -0.01 0.28 0.41 0.00 -0.73 0.00 0.00 179.01 178.96 1p80 h ALA 688 N 0.97 1.20 -0.18 2.92 0.00 -1.20 -1.75 119.26 121.22 1p80 h ALA 688 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1p80 h ALA 688 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1p80 h ALA 688 CO -0.01 0.63 0.06 -0.92 0.00 0.00 0.00 179.25 179.01 1p80 h TYR 689 N 1.14 0.28 -0.76 0.00 3.20 -0.50 -1.55 116.97 118.78 1p80 h TYR 689 Ca 0.28 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1p80 h TYR 689 Cb 0.08 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1p80 h TYR 689 CO 0.01 0.36 0.50 -0.22 -1.64 0.00 0.00 178.16 177.18 1p80 h LYS 690 N 0.12 0.98 -0.79 1.82 3.64 -0.70 -2.03 116.57 119.60 1p80 h LYS 690 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1p80 h LYS 690 Cb 0.21 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1p80 h LYS 690 CO -0.00 0.65 0.00 0.72 -2.27 0.00 0.00 179.45 178.54 1p80 n HIS 691 N -4.43 0.88 -1.79 1.91 8.25 -0.69 -4.89 115.22 114.46 1p80 n HIS 691 Ca 0.09 -0.31 -0.14 0.00 -0.26 0.00 0.00 57.72 57.09 1p80 n HIS 691 Cb 0.05 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 1p80 n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p80 n LEU 692 N 0.28 -1.31 -4.82 2.41 4.77 -0.76 -4.90 117.00 112.67 1p80 n LEU 692 Ca 0.12 0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 55.92 1p80 n LEU 692 Cb 0.64 -2.13 -0.06 0.00 -2.33 0.00 0.00 43.42 39.54 1p80 n LEU 692 CO 0.14 -0.48 0.33 -0.54 -1.33 0.00 0.00 177.39 175.51 1p80 s LYS 693 N -3.87 4.18 0.34 3.23 1.02 -0.60 -0.17 119.74 123.87 1p80 s LYS 693 Ca 0.00 0.74 -0.29 0.00 0.02 0.00 0.00 55.97 56.45 1p80 s LYS 693 Cb 0.00 -3.01 -0.12 0.00 -0.52 0.00 0.00 37.83 34.18 1p80 s LYS 693 CO 0.00 0.49 1.46 -2.30 -0.92 0.00 0.00 175.35 174.08 1p80 n PRO 694 N 1.05 2.52 -4.47 -1.68 -0.02 -1.26 -4.60 135.00 126.53 1p80 n PRO 694 Ca -0.05 0.89 -0.21 0.00 -2.02 0.00 0.00 63.50 62.10 1p80 n PRO 694 Cb 0.51 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.25 1p80 n PRO 694 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p80 s ILE 695 N -0.84 0.89 -0.08 4.25 1.01 -1.15 -1.86 121.20 123.43 1p80 s ILE 695 Ca 0.57 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1p80 s ILE 695 Cb -0.51 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1p80 s ILE 695 CO 0.60 0.27 -0.14 0.00 0.00 0.00 0.00 174.94 175.66 1p80 s ALA 696 N 0.07 1.46 -0.14 9.38 0.00 0.17 -0.88 121.76 131.82 1p80 s ALA 696 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1p80 s ALA 696 Cb -0.08 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1p80 s ALA 696 CO 0.00 0.09 -0.16 -0.51 0.00 0.00 0.00 175.76 175.19 1p80 s LEU 697 N 0.71 1.77 -0.07 0.00 1.43 0.45 -0.82 118.68 122.14 1p80 s LEU 697 Ca -0.13 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1p80 s LEU 697 Cb -0.16 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1p80 s LEU 697 CO 0.03 -0.02 0.06 0.00 0.23 0.00 0.00 176.35 176.65 1p80 s ALA 698 N 1.29 3.52 0.00 4.21 0.00 -0.69 -3.04 121.76 127.05 1p80 s ALA 698 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1p80 s ALA 698 Cb -0.14 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1p80 s ALA 698 CO -0.08 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1p80 n GLY 699 N 1.86 3.21 0.09 0.00 0.00 -0.36 -0.82 105.19 109.16 1p80 n GLY 699 Ca -0.18 0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1p80 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p80 n ASP 700 N 4.03 0.37 0.17 1.61 8.00 -1.26 -2.08 116.55 127.39 1p80 n ASP 700 Ca 0.00 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.25 1p80 n ASP 700 Cb 0.00 -0.69 0.59 0.00 -0.02 0.00 0.00 41.12 41.00 1p80 n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p80 h ALA 701 N 2.21 1.00 0.00 2.24 0.00 -1.23 -0.48 119.26 123.00 1p80 h ALA 701 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p80 h ALA 701 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1p80 h ALA 701 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1p80 n ARG 702 N -2.34 0.07 0.26 0.00 1.74 -0.88 -1.31 116.66 114.20 1p80 n ARG 702 Ca -0.00 0.50 0.11 0.00 -0.77 0.00 0.00 57.85 57.69 1p80 n ARG 702 Cb 0.12 -1.69 0.71 0.00 -1.02 0.00 0.00 32.46 30.58 1p80 n ARG 702 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1p80 h LYS 703 N 0.00 0.00 0.00 5.56 1.57 -1.33 -1.51 116.57 120.85 1p80 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p80 h LYS 703 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1p80 h LYS 703 CO 0.00 0.10 0.00 1.19 -0.57 0.00 0.00 179.45 180.17 1p80 n PHE 704 N -3.93 0.00 -0.04 -1.35 3.01 -0.43 -3.19 117.46 111.53 1p80 n PHE 704 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 1p80 n PHE 704 Cb 0.19 -0.39 0.47 0.00 -0.01 0.00 0.00 39.48 39.75 1p80 n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1p80 h LYS 705 N 0.00 0.45 0.00 -1.08 1.57 -1.47 -0.47 116.57 115.57 1p80 h LYS 705 Ca 0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1p80 h LYS 705 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1p80 h LYS 705 CO 0.00 0.30 -0.41 0.00 -0.57 0.00 0.00 179.45 178.77 1p80 h ALA 706 N 1.73 1.19 -0.57 3.86 0.00 -1.78 0.25 119.26 123.94 1p80 h ALA 706 Ca 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1p80 h ALA 706 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1p80 h ALA 706 CO -0.06 0.51 0.31 1.15 0.00 0.00 0.00 179.25 181.16 1p80 h THR 707 N 0.00 1.19 -0.68 0.00 2.02 -1.29 -3.00 112.91 111.15 1p80 h THR 707 Ca -0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1p80 h THR 707 Cb 0.79 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1p80 h THR 707 CO 0.05 0.21 0.00 2.30 0.37 0.00 0.00 175.52 178.45 1p80 n ILE 708 N -4.59 1.36 -3.52 3.11 -5.35 -1.07 -4.93 119.36 104.38 1p80 n ILE 708 Ca 0.03 -1.09 -0.19 0.00 -0.27 0.00 0.00 62.75 61.23 1p80 n ILE 708 Cb 0.09 0.34 0.07 0.00 -1.74 0.00 0.00 39.64 38.41 1p80 n ILE 708 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1p80 n LYS 709 N 1.36 -6.32 -3.40 6.28 4.76 -0.20 -4.99 118.16 115.66 1p80 n LYS 709 Ca 0.24 0.79 -0.38 0.00 -2.87 0.00 0.00 58.31 56.09 1p80 n LYS 709 Cb 0.73 -5.70 -0.06 0.00 -1.84 0.00 0.00 35.03 28.15 1p80 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p80 s ILE 710 N -3.43 4.98 0.75 -0.18 -1.09 0.71 -5.00 121.20 117.94 1p80 s ILE 710 Ca 0.06 0.97 -0.12 0.00 -2.23 0.00 0.00 60.65 59.33 1p80 s ILE 710 Cb -0.03 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 1p80 s ILE 710 CO 0.75 0.52 1.11 0.00 -1.23 0.00 0.00 174.94 176.09 1p80 s ALA 711 N -0.74 2.24 0.25 9.38 0.00 -1.26 -4.66 121.76 126.96 1p80 s ALA 711 Ca 0.26 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1p80 s ALA 711 Cb -0.17 -3.32 0.36 0.00 0.00 0.00 0.00 23.12 19.98 1p80 s ALA 711 CO 0.14 -1.72 1.85 -0.44 0.00 0.00 0.00 175.76 175.60 1p80 h ASP 712 N -0.77 0.85 0.67 0.00 3.45 -1.99 -0.22 116.42 118.40 1p80 h ASP 712 Ca -0.45 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.03 1p80 h ASP 712 Cb 1.24 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1p80 h ASP 712 CO 0.51 0.53 0.00 1.67 -1.57 0.00 0.00 179.24 180.38 1p80 n GLN 713 N -4.62 0.06 0.00 3.56 0.00 -1.26 -5.01 117.38 110.10 1p80 n GLN 713 Ca 0.13 0.25 0.00 0.00 -0.00 0.00 0.00 57.00 57.38 1p80 n GLN 713 Cb 0.19 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 28.84 1p80 n GLN 713 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1p80 n GLY 714 N 0.27 -2.27 3.51 1.69 0.00 -0.09 -5.06 105.19 103.23 1p80 n GLY 714 Ca 0.04 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1p80 n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p80 s GLU 715 N -0.24 1.04 0.17 1.61 -1.05 -1.26 -4.54 118.70 114.42 1p80 s GLU 715 Ca 0.00 0.10 -0.32 0.00 -0.15 0.00 0.00 54.97 54.60 1p80 s GLU 715 Cb 0.00 0.49 -0.11 0.00 -0.44 0.00 0.00 34.13 34.06 1p80 s GLU 715 CO 0.00 -0.36 1.79 -1.21 0.95 0.00 0.00 175.26 176.43 1p80 s GLU 716 N -1.71 4.13 0.00 -4.83 2.02 -1.26 -2.05 118.70 115.00 1p80 s GLU 716 Ca -0.07 2.62 0.00 0.00 0.02 0.00 0.00 54.97 57.54 1p80 s GLU 716 Cb -0.00 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1p80 s GLU 716 CO 0.04 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.92 1p80 n GLY 717 N 4.13 1.17 3.13 -1.39 0.00 -1.26 -4.88 105.19 106.09 1p80 n GLY 717 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1p80 n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p80 s ILE 718 N -2.11 2.21 -0.11 -0.61 -1.09 -0.87 -2.94 121.20 115.69 1p80 s ILE 718 Ca 0.00 -1.07 -0.14 0.00 -2.23 0.00 0.00 60.65 57.21 1p80 s ILE 718 Cb 0.00 -2.03 -0.05 0.00 -1.58 0.00 0.00 42.46 38.81 1p80 s ILE 718 CO 0.00 0.39 0.33 -0.69 -1.23 0.00 0.00 174.94 173.74 1p80 s VAL 719 N 1.26 5.24 -0.16 2.92 1.01 -0.06 -4.57 120.40 126.05 1p80 s VAL 719 Ca 0.02 0.64 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 1p80 s VAL 719 Cb -0.15 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1p80 s VAL 719 CO -0.10 0.46 0.41 -1.83 0.00 0.00 0.00 175.10 174.04 1p80 s GLU 720 N -0.13 0.47 0.35 2.72 -1.05 -1.26 -0.42 118.70 119.39 1p80 s GLU 720 Ca 0.19 0.60 -0.16 0.00 -0.15 0.00 0.00 54.97 55.46 1p80 s GLU 720 Cb -0.14 0.20 0.04 0.00 -0.44 0.00 0.00 34.13 33.79 1p80 s GLU 720 CO 0.07 -0.07 0.74 0.00 0.95 0.00 0.00 175.26 176.95 1p80 s ALA 721 N 0.39 -0.72 0.31 -0.84 0.00 -1.17 -5.01 121.76 114.72 1p80 s ALA 721 Ca -0.01 -0.71 0.14 0.00 0.00 0.00 0.00 51.96 51.38 1p80 s ALA 721 Cb -0.04 0.77 0.67 0.00 0.00 0.00 0.00 23.12 24.52 1p80 s ALA 721 CO -0.01 -0.98 1.77 -0.44 0.00 0.00 0.00 175.76 176.10 1p80 h ASP 722 N 2.02 0.00 -5.45 0.00 3.32 -1.91 -0.96 116.42 113.44 1p80 h ASP 722 Ca -0.29 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.57 1p80 h ASP 722 Cb 1.25 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.70 1p80 h ASP 722 CO 0.36 0.42 -0.27 -0.94 -1.72 0.00 0.00 179.24 177.09 1p80 s SER 723 N -6.76 0.39 0.00 6.45 1.04 -1.26 -2.57 113.70 110.99 1p80 s SER 723 Ca -0.02 -1.26 0.12 0.00 0.48 0.00 0.00 55.95 55.26 1p80 s SER 723 Cb 0.13 0.57 0.62 0.00 0.10 0.00 0.00 66.02 67.44 1p80 s SER 723 CO 0.72 -1.13 1.41 0.00 0.98 0.00 0.00 173.24 175.22 1p80 n ALA 724 N -0.43 2.55 -1.76 5.32 0.00 -1.26 -4.82 120.51 120.11 1p80 n ALA 724 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1p80 n ALA 724 Cb 0.63 -1.15 0.14 0.00 0.00 0.00 0.00 19.45 19.06 1p80 n ALA 724 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p80 n ASP 725 N -0.48 0.18 0.00 0.00 5.75 -1.26 -4.15 116.55 116.60 1p80 n ASP 725 Ca 0.09 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1p80 n ASP 725 Cb 0.09 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1p80 n ASP 725 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p80 n GLY 726 N -1.02 3.62 1.04 6.12 0.00 -1.26 -2.60 105.19 111.09 1p80 n GLY 726 Ca 0.12 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1p80 n GLY 726 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p80 n SER 727 N 6.70 3.08 0.04 1.61 3.41 -1.26 -4.48 113.62 122.72 1p80 n SER 727 Ca 0.00 -1.94 -0.10 0.00 -0.26 0.00 0.00 58.87 56.56 1p80 n SER 727 Cb 0.00 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 1p80 n SER 727 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1p80 h PHE 728 N 3.79 -0.36 -0.10 7.33 3.04 -1.73 -0.48 116.94 128.43 1p80 h PHE 728 Ca 0.00 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.82 1p80 h PHE 728 Cb 0.84 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 1p80 h PHE 728 CO 0.27 -0.21 -0.56 0.52 -2.02 0.00 0.00 178.31 176.31 1p80 h MET 729 N -0.22 0.31 -0.68 1.11 2.86 -1.79 -2.23 114.93 114.29 1p80 h MET 729 Ca 0.06 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 1p80 h MET 729 Cb 0.30 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1p80 h MET 729 CO -0.17 0.78 0.16 -0.44 1.06 0.00 0.00 176.91 178.31 1p80 h ASP 730 N 0.23 1.03 -0.47 1.22 3.32 -1.76 -0.37 116.42 119.62 1p80 h ASP 730 Ca 0.00 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 1p80 h ASP 730 Cb 1.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1p80 h ASP 730 CO 0.09 0.99 0.11 -0.33 -1.72 0.00 0.00 179.24 178.39 1p80 h GLU 731 N 1.03 0.75 -0.69 3.56 5.08 -0.92 -1.20 114.58 122.20 1p80 h GLU 731 Ca 0.21 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1p80 h GLU 731 Cb 0.37 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1p80 h GLU 731 CO 0.00 0.74 0.26 1.25 -1.00 0.00 0.00 179.01 180.26 1p80 h LEU 732 N 0.63 0.97 -1.16 1.33 7.12 -1.14 -2.26 115.31 120.80 1p80 h LEU 732 Ca 0.15 -0.18 -0.08 0.00 0.13 0.00 0.00 57.88 57.89 1p80 h LEU 732 Cb 0.33 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1p80 h LEU 732 CO 0.00 0.89 -0.40 -0.07 -0.13 0.00 0.00 178.44 178.73 1p80 h LEU 733 N 0.99 0.00 -0.50 2.25 3.38 -0.85 -0.73 115.31 119.85 1p80 h LEU 733 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1p80 h LEU 733 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1p80 h LEU 733 CO -0.02 0.40 0.06 0.74 0.09 0.00 0.00 178.44 179.71 1p80 h THR 734 N 0.00 1.25 -0.58 0.22 2.02 -0.88 -1.45 112.91 113.49 1p80 h THR 734 Ca -0.00 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 1p80 h THR 734 Cb 0.76 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1p80 h THR 734 CO 0.05 0.35 0.07 -0.07 0.37 0.00 0.00 175.52 176.29 1p80 h LEU 735 N 0.72 0.95 -1.35 2.58 3.38 -0.82 -2.70 115.31 118.06 1p80 h LEU 735 Ca 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1p80 h LEU 735 Cb 0.43 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1p80 h LEU 735 CO 0.01 0.99 0.36 0.24 0.09 0.00 0.00 178.44 180.13 1p80 h MET 736 N 0.88 0.80 0.00 1.13 2.86 -0.93 -2.04 114.93 117.63 1p80 h MET 736 Ca 0.17 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1p80 h MET 736 Cb 0.46 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1p80 h MET 736 CO 0.02 0.56 -0.22 0.00 1.06 0.00 0.00 176.91 178.33 1p80 h ALA 737 N 1.58 1.50 -0.05 6.32 0.00 -0.94 -1.26 119.26 126.41 1p80 h ALA 737 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1p80 h ALA 737 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1p80 h ALA 737 CO -0.04 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1p80 n ALA 738 N -2.44 2.59 0.00 0.00 0.00 -0.79 -4.02 120.51 115.85 1p80 n ALA 738 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1p80 n ALA 738 Cb 0.29 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1p80 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1p80 n HIS 739 N -0.15 0.00 -4.19 0.00 -0.00 -0.48 -4.78 115.22 105.62 1p80 n HIS 739 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.79 1p80 n HIS 739 Cb 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.15 1p80 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1p80 s ARG 740 N 0.00 0.95 -1.13 1.57 1.81 -1.26 -4.71 118.95 116.17 1p80 s ARG 740 Ca 0.00 -1.42 -0.10 0.00 -1.72 0.00 0.00 55.73 52.49 1p80 s ARG 740 Cb 0.00 -0.17 0.26 0.00 -0.45 0.00 0.00 34.95 34.58 1p80 s ARG 740 CO 0.00 -0.09 1.17 0.08 -0.68 0.00 0.00 175.30 175.78 1p80 s VAL 741 N -3.69 5.83 0.50 3.52 1.01 0.76 -4.87 120.40 123.46 1p80 s VAL 741 Ca 0.18 -3.28 0.19 0.00 0.00 0.00 0.00 61.98 59.07 1p80 s VAL 741 Cb 0.06 -4.66 0.34 0.00 0.00 0.00 0.00 36.38 32.12 1p80 s VAL 741 CO -0.01 -1.26 2.04 -0.50 0.00 0.00 0.00 175.10 175.36 1p80 h TRP 742 N 6.76 0.13 0.00 5.22 4.06 -1.93 -1.60 115.95 128.58 1p80 h TRP 742 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 1p80 h TRP 742 Cb 0.87 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.99 1p80 h TRP 742 CO 0.82 0.06 0.00 -1.13 -3.56 0.00 0.00 178.44 174.63 1p80 n SER 743 N -4.45 0.61 0.00 -3.49 3.41 -1.26 -2.03 113.62 106.41 1p80 n SER 743 Ca 0.06 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 1p80 n SER 743 Cb 0.38 -0.81 0.49 0.00 -0.26 0.00 0.00 64.21 64.02 1p80 n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1p80 n ARG 744 N -2.23 0.01 -0.18 4.33 0.63 -0.60 -4.41 116.66 114.20 1p80 n ARG 744 Ca 0.01 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.87 1p80 n ARG 744 Cb 0.15 -1.51 -0.01 0.00 0.45 0.00 0.00 32.46 31.54 1p80 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1p80 h ILE 745 N 0.00 0.15 -0.77 5.15 2.04 -1.57 0.12 117.51 122.62 1p80 h ILE 745 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1p80 h ILE 745 Cb 0.51 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1p80 h ILE 745 CO 0.00 0.00 0.50 -0.65 0.00 0.00 0.00 178.15 178.00 1p80 h PRO 746 N -0.21 0.64 0.00 2.37 0.11 -1.85 -1.92 132.00 131.13 1p80 h PRO 746 Ca 0.20 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 1p80 h PRO 746 Cb 0.56 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1p80 h PRO 746 CO -0.65 0.42 -0.62 0.87 -0.21 0.00 0.00 178.00 177.81 1p80 h LYS 747 N 0.65 0.00 0.00 1.05 6.56 -1.08 -3.22 116.57 120.53 1p80 h LYS 747 Ca 0.36 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.94 1p80 h LYS 747 Cb 0.51 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1p80 h LYS 747 CO -0.13 0.62 -0.06 -0.84 -2.06 0.00 0.00 179.45 176.98 1p80 h ILE 748 N 0.00 0.10 -0.95 1.86 3.07 -0.51 -3.35 117.51 117.72 1p80 h ILE 748 Ca -0.01 -1.10 0.18 0.00 1.55 0.00 0.00 64.86 65.48 1p80 h ILE 748 Cb 1.19 2.02 -0.17 0.00 -0.27 0.00 0.00 36.82 39.58 1p80 h ILE 748 CO 0.08 0.05 -0.27 -0.67 -1.05 0.00 0.00 178.15 176.30 1p80 n ASP 749 N -3.12 -0.40 0.00 2.16 4.64 -1.10 -3.62 116.55 115.12 1p80 n ASP 749 Ca 0.04 1.64 0.00 0.00 -1.38 0.00 0.00 54.79 55.08 1p80 n ASP 749 Cb 0.54 -0.47 0.00 0.00 -1.04 0.00 0.00 41.12 40.15 1p80 n ASP 749 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 1p80 n LYS 750 N -5.51 0.00 -0.82 -0.67 -0.00 -1.26 -4.99 118.16 104.91 1p80 n LYS 750 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1p80 n LYS 750 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 1p80 n LYS 750 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1p80 n ILE 751 N 0.00 0.00 -2.59 0.58 0.00 -1.24 -4.75 119.36 111.36 1p80 n ILE 751 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 62.75 62.33 1p80 n ILE 751 Cb 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 39.64 39.12 1p80 n ILE 751 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1p80 s PRO 752 N 0.00 3.78 0.00 9.51 0.04 -1.26 -5.10 135.00 141.97 1p80 s PRO 752 Ca 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 61.00 59.48 1p80 s PRO 752 Cb 0.00 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1p80 s PRO 752 CO 0.00 -2.21 0.00 0.00 0.04 0.00 0.00 177.00 174.83