#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p81 n SER 28 N 0.00 0.00 -0.09 -2.24 2.88 -1.26 -5.06 113.62 107.85 1p81 n SER 28 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1p81 n SER 28 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1p81 n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1p81 n LEU 29 N 0.00 1.94 -4.59 2.46 4.77 -1.26 -4.94 117.00 115.39 1p81 n LEU 29 Ca 0.00 -0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1p81 n LEU 29 Cb 0.00 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1p81 n LEU 29 CO 0.00 0.76 0.48 0.00 -1.33 0.00 0.00 177.39 177.30 1p81 n ALA 30 N -3.02 -0.07 -1.85 -1.18 0.00 -1.26 -4.87 120.51 108.26 1p81 n ALA 30 Ca -0.38 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 1p81 n ALA 30 Cb 1.05 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 1p81 n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p81 s PRO 31 N -2.19 4.28 0.39 0.00 0.04 -1.26 -4.92 135.00 131.34 1p81 s PRO 31 Ca 0.67 2.29 0.10 0.00 0.04 0.00 0.00 61.00 64.10 1p81 s PRO 31 Cb -0.51 -3.09 0.88 0.00 0.04 0.00 0.00 34.50 31.82 1p81 s PRO 31 CO 0.54 -0.36 1.95 1.49 0.04 0.00 0.00 177.00 180.65 1p81 h GLU 32 N 4.51 0.58 0.00 4.56 4.57 -1.96 -1.48 114.58 125.37 1p81 h GLU 32 Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1p81 h GLU 32 Cb 1.22 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1p81 h GLU 32 CO 0.74 0.39 0.00 -0.40 -1.18 0.00 0.00 179.01 178.55 1p81 n ASP 33 N -4.49 0.00 -0.47 1.04 5.75 -1.26 -4.85 116.55 112.27 1p81 n ASP 33 Ca 0.12 -0.02 -0.06 0.00 -0.01 0.00 0.00 54.79 54.82 1p81 n ASP 33 Cb 0.34 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1p81 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p81 n GLY 34 N -0.21 0.84 0.26 6.12 0.00 -0.56 -4.93 105.19 106.71 1p81 n GLY 34 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1p81 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 35 N 0.54 0.54 0.05 1.61 3.41 -1.26 -3.19 113.62 115.30 1p81 n SER 35 Ca -0.06 -2.00 0.11 0.00 -0.26 0.00 0.00 58.87 56.66 1p81 n SER 35 Cb 0.24 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 1p81 n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 n HIS 36 N -0.24 0.46 -4.23 7.33 1.44 -1.26 -4.90 115.22 113.82 1p81 n HIS 36 Ca 0.00 0.13 -0.34 0.00 -2.01 0.00 0.00 57.72 55.50 1p81 n HIS 36 Cb 0.13 -0.69 -0.12 0.00 0.12 0.00 0.00 29.99 29.43 1p81 n HIS 36 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1p81 s ARG 37 N -3.41 3.63 0.41 -1.40 6.06 -1.19 -5.00 118.95 118.04 1p81 s ARG 37 Ca -0.03 -0.53 -0.26 0.00 -2.50 0.00 0.00 55.73 52.41 1p81 s ARG 37 Cb 0.12 -2.99 -0.08 0.00 0.06 0.00 0.00 34.95 32.06 1p81 s ARG 37 CO 0.84 0.11 1.27 -2.14 -2.50 0.00 0.00 175.30 172.89 1p81 s PRO 38 N 0.71 3.96 0.48 5.12 0.02 -1.26 -4.99 135.00 139.04 1p81 s PRO 38 Ca -0.01 2.07 -0.23 0.00 0.02 0.00 0.00 61.00 62.85 1p81 s PRO 38 Cb -0.14 -2.72 -0.07 0.00 0.02 0.00 0.00 34.50 31.59 1p81 s PRO 38 CO 0.02 -0.47 1.32 0.00 -0.33 0.00 0.00 177.00 177.54 1p81 s ALA 39 N -1.30 3.01 -1.27 -1.55 0.00 -1.26 -4.91 121.76 114.48 1p81 s ALA 39 Ca 0.57 1.26 -0.06 0.00 0.00 0.00 0.00 51.96 53.73 1p81 s ALA 39 Cb -0.36 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.40 1p81 s ALA 39 CO 0.46 -1.09 2.18 0.00 0.00 0.00 0.00 175.76 177.32 1p81 n ALA 40 N -0.54 6.38 -3.34 0.00 0.00 -1.26 -4.83 120.51 116.92 1p81 n ALA 40 Ca 0.07 -4.22 -0.14 0.00 0.00 0.00 0.00 53.44 49.15 1p81 n ALA 40 Cb 0.45 -2.73 -0.05 0.00 0.00 0.00 0.00 19.45 17.12 1p81 n ALA 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1p81 s GLU 41 N -1.31 1.05 0.06 0.00 -1.05 -1.24 -4.83 118.70 111.39 1p81 s GLU 41 Ca 0.49 -0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.81 1p81 s GLU 41 Cb 0.16 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.25 1p81 s GLU 41 CO -0.07 -0.38 1.81 -1.25 0.95 0.00 0.00 175.26 176.32 1p81 s PRO 42 N -2.37 4.16 0.04 -4.83 0.04 -1.26 -4.99 135.00 125.78 1p81 s PRO 42 Ca -0.06 2.49 0.03 0.00 0.04 0.00 0.00 61.00 63.51 1p81 s PRO 42 Cb -0.01 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 1p81 s PRO 42 CO -0.01 -0.85 -0.09 0.95 0.04 0.00 0.00 177.00 177.03 1p81 s THR 43 N 3.40 0.69 0.71 1.26 -4.23 -0.90 -4.94 115.64 111.62 1p81 s THR 43 Ca 0.81 -1.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.16 1p81 s THR 43 Cb -0.42 -0.70 0.03 0.00 1.34 0.00 0.00 72.50 72.75 1p81 s THR 43 CO 0.36 -0.25 1.20 -2.16 -0.54 0.00 0.00 174.62 173.23 1p81 s PRO 44 N -1.38 2.29 -0.12 3.99 0.04 -1.26 -3.19 135.00 135.36 1p81 s PRO 44 Ca -0.06 1.73 -0.37 0.00 0.04 0.00 0.00 61.00 62.34 1p81 s PRO 44 Cb -0.09 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 1p81 s PRO 44 CO 0.01 -1.71 1.70 -2.30 0.04 0.00 0.00 177.00 174.73 1p81 n PRO 45 N -2.57 1.54 -0.65 0.56 -0.02 -1.26 -1.57 135.00 131.03 1p81 n PRO 45 Ca 0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1p81 n PRO 45 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1p81 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p81 n GLY 46 N 3.90 0.88 0.13 -1.23 0.00 -1.26 -4.91 105.19 102.70 1p81 n GLY 46 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.28 1p81 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p81 h ALA 47 N 0.00 0.67 -2.41 4.61 0.00 -1.63 -3.47 119.26 117.03 1p81 h ALA 47 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1p81 h ALA 47 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1p81 h ALA 47 CO 0.00 0.66 -0.56 -0.65 0.00 0.00 0.00 179.25 178.70 1p81 s GLN 48 N -2.97 0.84 0.34 0.00 -1.52 -1.26 -5.06 119.66 110.02 1p81 s GLN 48 Ca 0.02 -1.23 -0.28 0.00 -1.95 0.00 0.00 55.36 51.92 1p81 s GLN 48 Cb 0.08 0.27 -0.10 0.00 -0.22 0.00 0.00 33.01 33.04 1p81 s GLN 48 CO 0.76 -0.23 1.31 -2.14 -0.25 0.00 0.00 175.29 174.74 1p81 s PRO 49 N -3.96 4.31 0.84 2.91 0.02 -1.26 -5.00 135.00 132.86 1p81 s PRO 49 Ca 0.13 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 1p81 s PRO 49 Cb 0.07 -3.04 0.09 0.00 0.02 0.00 0.00 34.50 31.64 1p81 s PRO 49 CO -0.05 -0.22 1.09 0.95 -0.33 0.00 0.00 177.00 178.44 1p81 s THR 50 N -1.15 2.96 0.21 0.99 -4.23 -1.26 -4.59 115.64 108.56 1p81 s THR 50 Ca 0.50 0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 61.16 1p81 s THR 50 Cb -0.40 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.59 1p81 s THR 50 CO 0.53 -0.41 0.50 0.00 -0.54 0.00 0.00 174.62 174.70 1p81 s ALA 51 N -2.99 -0.73 0.25 3.99 0.00 -1.26 -4.96 121.76 116.06 1p81 s ALA 51 Ca 0.62 -0.42 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1p81 s ALA 51 Cb -0.17 0.89 -0.13 0.00 0.00 0.00 0.00 23.12 23.71 1p81 s ALA 51 CO 0.56 -0.81 1.40 -2.30 0.00 0.00 0.00 175.76 174.61 1p81 n PRO 52 N -0.34 2.05 -0.30 0.00 -0.02 -1.26 -4.68 135.00 130.45 1p81 n PRO 52 Ca -0.08 0.73 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 1p81 n PRO 52 Cb 0.62 -2.38 0.22 0.00 -0.02 0.00 0.00 33.50 31.94 1p81 n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1p81 h GLY 53 N 4.10 1.05 2.00 -1.23 0.00 -1.33 0.74 103.07 108.40 1p81 h GLY 53 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1p81 h GLY 53 CO 0.75 -0.39 0.00 1.48 0.00 0.00 0.00 176.54 178.38 1p81 h SER 54 N 0.07 0.00 0.45 0.19 4.64 -1.82 -0.16 113.55 116.91 1p81 h SER 54 Ca 0.51 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.53 1p81 h SER 54 Cb 0.97 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.01 1p81 h SER 54 CO -0.79 0.00 -1.74 0.18 -0.87 0.00 0.00 176.83 173.60 1p81 n LEU 55 N -3.03 1.09 0.01 5.97 4.77 0.12 -3.19 117.00 122.75 1p81 n LEU 55 Ca 0.01 0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1p81 n LEU 55 Cb 0.31 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 1p81 n LEU 55 CO 0.27 0.45 0.16 0.50 -1.33 0.00 0.00 177.39 177.44 1p81 h LYS 56 N 0.01 0.75 -2.18 3.23 1.63 -0.90 -3.40 116.57 115.72 1p81 h LYS 56 Ca -0.30 -0.71 -0.57 0.00 -0.85 0.00 0.00 60.65 58.21 1p81 h LYS 56 Cb 2.02 0.18 -0.38 0.00 -0.60 0.00 0.00 32.23 33.45 1p81 h LYS 56 CO 0.08 1.30 -1.03 0.00 -3.45 0.00 0.00 179.45 176.35 1p81 n ALA 57 N -2.63 2.61 0.27 5.00 0.00 -0.10 -3.60 120.51 122.05 1p81 n ALA 57 Ca -0.09 -3.20 0.14 0.00 0.00 0.00 0.00 53.44 50.28 1p81 n ALA 57 Cb 0.82 -0.79 0.75 0.00 0.00 0.00 0.00 19.45 20.24 1p81 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p81 h PRO 58 N 4.90 0.00 -0.60 0.00 0.13 -1.73 -2.84 132.00 131.87 1p81 h PRO 58 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1p81 h PRO 58 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1p81 h PRO 58 CO 0.41 0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 1p81 n ASP 59 N -3.49 3.75 -4.55 1.44 10.43 -1.26 -4.79 116.55 118.09 1p81 n ASP 59 Ca -0.01 -1.99 -0.43 0.00 2.57 0.00 0.00 54.79 54.92 1p81 n ASP 59 Cb 0.24 -0.39 -0.05 0.00 1.84 0.00 0.00 41.12 42.77 1p81 n ASP 59 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1p81 s THR 60 N -1.18 4.52 0.20 -3.53 2.01 -1.07 -5.01 115.64 111.58 1p81 s THR 60 Ca 0.45 0.53 0.06 0.00 0.31 0.00 0.00 61.69 63.04 1p81 s THR 60 Cb 0.24 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1p81 s THR 60 CO 0.32 -0.85 -0.10 -0.13 -0.69 0.00 0.00 174.62 173.18 1p81 s ARG 61 N 3.63 1.28 0.22 4.92 0.52 -1.26 -5.03 118.95 123.23 1p81 s ARG 61 Ca 0.33 -1.59 -0.22 0.00 -0.52 0.00 0.00 55.73 53.73 1p81 s ARG 61 Cb -0.11 -0.89 0.04 0.00 0.52 0.00 0.00 34.95 34.51 1p81 s ARG 61 CO 0.24 0.08 0.71 0.54 0.02 0.00 0.00 175.30 176.89 1p81 s ASN 62 N -3.29 -0.36 0.22 0.23 2.20 -1.26 -5.02 114.94 107.67 1p81 s ASN 62 Ca 0.23 -0.38 -0.08 0.00 -0.94 0.00 0.00 52.86 51.69 1p81 s ASN 62 Cb 0.02 0.66 0.30 0.00 -2.00 0.00 0.00 41.25 40.23 1p81 s ASN 62 CO 0.06 -1.16 1.79 -0.08 -2.94 0.00 0.00 177.10 174.77 1p81 h GLU 63 N 2.00 0.62 -0.08 3.55 4.81 -1.96 -1.07 114.58 122.44 1p81 h GLU 63 Ca -0.24 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1p81 h GLU 63 Cb 1.27 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1p81 h GLU 63 CO 0.28 0.41 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.75 1p81 h LYS 64 N 0.64 0.15 -0.80 1.92 1.63 -1.96 -2.05 116.57 116.10 1p81 h LYS 64 Ca 0.33 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.13 1p81 h LYS 64 Cb 0.30 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.86 1p81 h LYS 64 CO -0.23 0.41 0.50 -0.07 -3.45 0.00 0.00 179.45 176.61 1p81 h LEU 65 N -0.13 0.82 -0.94 5.20 3.38 -1.88 -1.84 115.31 119.92 1p81 h LEU 65 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1p81 h LEU 65 Cb 0.35 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1p81 h LEU 65 CO 0.00 0.55 0.13 0.78 0.09 0.00 0.00 178.44 180.00 1p81 h ASN 66 N 0.96 0.85 0.82 -0.43 2.35 -1.17 -2.88 115.58 116.08 1p81 h ASN 66 Ca 0.33 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1p81 h ASN 66 Cb 0.07 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1p81 h ASN 66 CO -0.13 0.84 0.00 0.77 -1.65 0.00 0.00 177.43 177.25 1p81 h SER 67 N 0.87 0.00 0.70 5.81 4.64 -0.58 -1.82 113.55 123.16 1p81 h SER 67 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1p81 h SER 67 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1p81 h SER 67 CO 0.00 0.00 -0.10 0.18 -0.87 0.00 0.00 176.83 176.04 1p81 n LEU 68 N -2.44 0.18 0.24 5.97 4.77 -1.04 -3.97 117.00 120.70 1p81 n LEU 68 Ca 0.02 0.27 0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1p81 n LEU 68 Cb 0.25 -0.35 0.76 0.00 -2.33 0.00 0.00 43.42 41.75 1p81 n LEU 68 CO 0.22 0.04 1.11 -0.08 -1.33 0.00 0.00 177.39 177.35 1p81 h GLU 69 N 0.12 0.00 0.00 3.23 4.57 -1.40 -2.07 114.58 119.03 1p81 h GLU 69 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1p81 h GLU 69 Cb 0.43 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1p81 h GLU 69 CO 0.00 0.00 -0.07 0.38 -1.18 0.00 0.00 179.01 178.14 1p81 h ASP 70 N 0.00 0.00 -0.01 1.04 -0.00 -1.81 -2.79 116.42 112.85 1p81 h ASP 70 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1p81 h ASP 70 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.49 1p81 h ASP 70 CO -0.00 0.07 -0.27 1.33 -0.00 0.00 0.00 179.24 180.36 1p81 n VAL 71 N -3.70 0.00 -2.34 4.15 0.24 -0.81 -4.98 118.33 110.89 1p81 n VAL 71 Ca -0.02 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 1p81 n VAL 71 Cb 0.17 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.68 1p81 n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1p81 s ARG 72 N -1.67 4.44 -0.08 7.34 0.52 -1.03 -5.02 118.95 123.45 1p81 s ARG 72 Ca 0.12 1.89 0.04 0.00 -0.52 0.00 0.00 55.73 57.25 1p81 s ARG 72 Cb 0.11 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 1p81 s ARG 72 CO 0.34 -0.21 -0.19 0.21 0.02 0.00 0.00 175.30 175.47 1p81 s LYS 73 N 0.36 2.84 0.00 3.54 2.20 -1.26 -5.03 119.74 122.38 1p81 s LYS 73 Ca 0.57 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1p81 s LYS 73 Cb -0.33 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 1p81 s LYS 73 CO 0.34 0.36 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 1p81 n GLY 74 N 3.04 0.40 0.56 5.54 0.00 -1.26 -5.07 105.19 108.40 1p81 n GLY 74 Ca -0.18 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1p81 n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 75 N 0.00 0.00 -4.68 1.61 3.41 -1.26 -5.07 113.62 107.63 1p81 n SER 75 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 1p81 n SER 75 Cb 0.00 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1p81 n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p81 n GLU 76 N -1.68 2.13 -0.94 4.33 1.02 -1.26 -1.47 120.64 122.78 1p81 n GLU 76 Ca 0.00 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1p81 n GLU 76 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 1p81 n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1p81 n ASN 77 N 1.88 -2.81 -4.94 1.62 3.02 -1.26 -5.02 115.26 107.76 1p81 n ASN 77 Ca 0.10 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.43 1p81 n ASN 77 Cb 0.33 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.03 1p81 n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1p81 s TYR 78 N -2.01 3.39 0.28 3.10 2.02 -0.54 -5.09 117.35 118.50 1p81 s TYR 78 Ca 0.00 -0.02 -0.18 0.00 -0.37 0.00 0.00 57.07 56.51 1p81 s TYR 78 Cb 0.00 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1p81 s TYR 78 CO 0.00 0.47 0.74 0.00 -1.57 0.00 0.00 175.55 175.19 1p81 s ALA 79 N -1.97 3.36 -0.07 3.71 0.00 -1.26 -5.02 121.76 120.51 1p81 s ALA 79 Ca 0.34 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1p81 s ALA 79 Cb -0.09 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1p81 s ALA 79 CO 0.28 0.32 1.27 -1.17 0.00 0.00 0.00 175.76 176.46 1p81 s LEU 80 N -2.49 4.27 0.34 0.00 2.96 -1.26 -5.00 118.68 117.50 1p81 s LEU 80 Ca 0.49 1.86 0.04 0.00 -0.22 0.00 0.00 54.13 56.30 1p81 s LEU 80 Cb -0.13 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1p81 s LEU 80 CO 0.19 -0.66 0.07 0.42 -1.32 0.00 0.00 176.35 175.05 1p81 s THR 81 N 2.59 1.04 1.02 3.68 -4.23 -1.26 -1.01 115.64 117.46 1p81 s THR 81 Ca 0.58 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1p81 s THR 81 Cb -0.26 -2.68 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1p81 s THR 81 CO 0.21 0.00 1.15 0.42 -0.54 0.00 0.00 174.62 175.86 1p81 s THR 82 N -3.30 1.88 -0.14 3.99 -4.23 0.60 -4.88 115.64 109.57 1p81 s THR 82 Ca 0.33 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.13 1p81 s THR 82 Cb 0.07 -2.66 0.31 0.00 1.34 0.00 0.00 72.50 71.57 1p81 s THR 82 CO 0.15 0.00 1.86 0.78 -0.54 0.00 0.00 174.62 176.87 1p81 h ASN 83 N -1.92 0.00 -0.17 3.99 2.35 -1.98 -1.63 115.58 116.22 1p81 h ASN 83 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1p81 h ASN 83 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1p81 h ASN 83 CO 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.28 1p81 n GLN 84 N -2.61 1.78 -0.51 0.81 1.13 -1.26 -4.93 117.38 111.79 1p81 n GLN 84 Ca 0.01 -1.17 0.00 0.00 -1.94 0.00 0.00 57.00 53.90 1p81 n GLN 84 Cb 0.21 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1p81 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p81 n GLY 85 N 1.15 0.73 3.71 1.08 0.00 -0.61 -5.05 105.19 106.20 1p81 n GLY 85 Ca 0.16 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1p81 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p81 s VAL 86 N -2.00 5.13 0.31 1.61 1.01 -1.26 -4.81 120.40 120.39 1p81 s VAL 86 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 1p81 s VAL 86 Cb 0.00 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1p81 s VAL 86 CO 0.00 0.27 1.31 -0.13 0.00 0.00 0.00 175.10 176.56 1p81 s ARG 87 N 0.87 4.36 -0.14 2.72 0.52 -1.26 -0.29 118.95 125.72 1p81 s ARG 87 Ca 0.29 2.19 -0.13 0.00 -0.52 0.00 0.00 55.73 57.56 1p81 s ARG 87 Cb -0.16 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 1p81 s ARG 87 CO 0.12 -0.20 0.28 0.42 0.02 0.00 0.00 175.30 175.94 1p81 s ILE 88 N -0.88 5.30 -0.11 1.52 1.01 -0.18 -4.89 121.20 122.97 1p81 s ILE 88 Ca 0.51 0.53 -0.15 0.00 0.00 0.00 0.00 60.65 61.54 1p81 s ILE 88 Cb -0.39 -3.61 -0.27 0.00 0.01 0.00 0.00 42.46 38.19 1p81 s ILE 88 CO 0.50 0.43 0.53 0.00 0.00 0.00 0.00 174.94 176.40 1p81 h ALA 89 N 6.33 0.20 -3.17 9.38 0.00 -1.95 -3.45 119.26 126.60 1p81 h ALA 89 Ca -0.43 -1.13 -0.58 0.00 0.00 0.00 0.00 54.91 52.77 1p81 h ALA 89 Cb 1.17 0.51 -0.40 0.00 0.00 0.00 0.00 17.79 19.08 1p81 h ALA 89 CO 0.73 0.88 -0.76 0.34 0.00 0.00 0.00 179.25 180.44 1p81 s ASP 90 N -7.05 3.97 -0.18 0.00 3.68 -1.26 -4.97 116.67 110.87 1p81 s ASP 90 Ca -0.20 -1.59 0.06 0.00 2.13 0.00 0.00 52.55 52.95 1p81 s ASP 90 Cb 0.05 -0.86 0.43 0.00 -1.45 0.00 0.00 42.92 41.09 1p81 s ASP 90 CO 0.77 -0.41 1.33 -0.67 0.13 0.00 0.00 175.17 176.32 1p81 n ASP 91 N 4.85 3.58 -0.00 -0.34 4.64 -1.26 -4.10 116.55 123.92 1p81 n ASP 91 Ca -0.03 -2.68 0.04 0.00 -1.38 0.00 0.00 54.79 50.75 1p81 n ASP 91 Cb 0.42 -0.64 -0.06 0.00 -1.04 0.00 0.00 41.12 39.81 1p81 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p81 n GLN 92 N 0.04 2.69 -3.98 -0.67 1.13 -1.26 -5.04 117.38 110.29 1p81 n GLN 92 Ca 0.23 -0.03 -0.10 0.00 -1.94 0.00 0.00 57.00 55.16 1p81 n GLN 92 Cb 0.94 -1.02 -0.11 0.00 0.11 0.00 0.00 30.24 30.16 1p81 n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1p81 s ASN 93 N -2.26 0.27 0.64 1.08 0.01 -1.26 -5.15 114.94 108.26 1p81 s ASN 93 Ca 0.01 -0.46 -0.11 0.00 -0.71 0.00 0.00 52.86 51.58 1p81 s ASN 93 Cb 0.06 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.78 1p81 s ASN 93 CO 0.35 -0.27 1.04 -0.44 -1.51 0.00 0.00 177.10 176.27 1p81 s SER 94 N -1.34 5.99 -0.13 -1.22 0.01 -1.26 -4.98 113.70 110.77 1p81 s SER 94 Ca -0.14 1.49 -0.27 0.00 1.31 0.00 0.00 55.95 58.35 1p81 s SER 94 Cb -0.09 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1p81 s SER 94 CO -0.01 -1.03 0.88 -0.22 0.41 0.00 0.00 173.24 173.27 1p81 s LEU 95 N -5.23 4.23 0.08 2.44 2.96 -1.26 -5.03 118.68 116.87 1p81 s LEU 95 Ca 0.56 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.80 1p81 s LEU 95 Cb -0.12 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 1p81 s LEU 95 CO 0.53 -0.37 -0.06 0.00 -1.32 0.00 0.00 176.35 175.13 1p81 s ARG 96 N 1.86 0.73 -0.76 1.98 1.70 -1.26 -1.33 118.95 121.86 1p81 s ARG 96 Ca 0.42 -1.20 -0.23 0.00 -0.47 0.00 0.00 55.73 54.25 1p81 s ARG 96 Cb -0.17 -0.15 0.06 0.00 -0.57 0.00 0.00 34.95 34.12 1p81 s ARG 96 CO 0.16 -0.02 1.14 0.00 -1.08 0.00 0.00 175.30 175.50 1p81 s ALA 97 N -3.21 2.99 0.00 7.88 0.00 -0.91 -4.77 121.76 123.76 1p81 s ALA 97 Ca 0.06 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1p81 s ALA 97 Cb 0.03 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1p81 s ALA 97 CO -0.04 -3.06 0.00 0.41 0.00 0.00 0.00 175.76 173.07 1p81 n GLY 98 N 5.56 -0.17 0.00 0.00 0.00 -1.26 -3.58 105.19 105.74 1p81 n GLY 98 Ca 0.06 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.59 1p81 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 99 N -0.82 0.00 -0.31 1.61 3.41 -1.26 -1.32 113.62 114.93 1p81 n SER 99 Ca 0.00 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 1p81 n SER 99 Cb 0.00 -0.43 0.17 0.00 -0.26 0.00 0.00 64.21 63.69 1p81 n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p81 n ARG 100 N -1.43 1.38 -2.26 4.33 1.74 -1.26 -5.07 116.66 114.08 1p81 n ARG 100 Ca 0.06 -2.85 -0.15 0.00 -0.77 0.00 0.00 57.85 54.14 1p81 n ARG 100 Cb 0.20 -1.52 0.07 0.00 -1.02 0.00 0.00 32.46 30.19 1p81 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p81 n GLY 101 N -1.26 1.41 3.77 -0.13 0.00 -0.43 -5.06 105.19 103.47 1p81 n GLY 101 Ca 0.17 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 1p81 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p81 s PRO 102 N -4.10 4.40 0.23 1.61 0.04 -1.26 -4.62 135.00 131.31 1p81 s PRO 102 Ca 0.46 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 1p81 s PRO 102 Cb -0.03 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 1p81 s PRO 102 CO 0.30 -0.01 1.35 0.99 0.04 0.00 0.00 177.00 179.67 1p81 s THR 103 N -1.29 2.96 0.09 1.26 2.01 -1.26 -2.13 115.64 117.28 1p81 s THR 103 Ca 0.50 0.81 -0.18 0.00 0.31 0.00 0.00 61.69 63.13 1p81 s THR 103 Cb -0.31 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1p81 s THR 103 CO 0.40 0.13 0.57 -0.76 -0.69 0.00 0.00 174.62 174.27 1p81 s LEU 104 N -0.42 4.48 0.53 4.42 1.43 -0.45 -4.95 118.68 123.72 1p81 s LEU 104 Ca 0.57 1.23 0.27 0.00 -1.03 0.00 0.00 54.13 55.16 1p81 s LEU 104 Cb -0.39 -2.99 1.47 0.00 0.03 0.00 0.00 46.19 44.30 1p81 s LEU 104 CO 0.42 0.23 2.09 0.25 0.23 0.00 0.00 176.35 179.57 1p81 h LEU 105 N 4.29 0.00 0.00 1.79 5.85 -1.95 -1.86 115.31 123.44 1p81 h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1p81 h LEU 105 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1p81 h LEU 105 CO 0.64 0.11 0.00 -1.84 -0.34 0.00 0.00 178.44 177.01 1p81 n GLU 106 N -3.73 0.41 -2.27 1.25 0.28 -1.26 -4.51 120.64 110.81 1p81 n GLU 106 Ca -0.02 0.06 -0.33 0.00 -0.16 0.00 0.00 57.16 56.72 1p81 n GLU 106 Cb 0.22 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 1p81 n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1p81 s ASP 107 N -2.39 5.73 0.33 -1.84 3.68 -0.70 -4.77 116.67 116.71 1p81 s ASP 107 Ca 0.23 -1.02 0.17 0.00 2.13 0.00 0.00 52.55 54.06 1p81 s ASP 107 Cb 0.14 -2.56 0.40 0.00 -1.45 0.00 0.00 42.92 39.45 1p81 s ASP 107 CO 0.29 -2.21 1.60 2.19 0.13 0.00 0.00 175.17 177.17 1p81 h PHE 108 N 10.63 0.00 -0.05 -5.34 -0.00 -1.90 -2.27 116.94 118.01 1p81 h PHE 108 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.10 1p81 h PHE 108 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.95 1p81 h PHE 108 CO 1.25 0.46 -0.00 0.82 -0.00 0.00 0.00 178.31 180.83 1p81 h ILE 109 N 0.00 1.27 0.21 0.88 2.04 -1.98 0.19 117.51 120.11 1p81 h ILE 109 Ca -0.00 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1p81 h ILE 109 Cb 1.13 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1p81 h ILE 109 CO 0.06 0.22 -0.21 0.25 0.00 0.00 0.00 178.15 178.47 1p81 h LEU 110 N -0.22 -0.55 -0.67 1.44 5.85 -1.93 -2.32 115.31 116.90 1p81 h LEU 110 Ca 0.01 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1p81 h LEU 110 Cb 0.35 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1p81 h LEU 110 CO 0.00 -0.31 0.43 0.03 -0.34 0.00 0.00 178.44 178.26 1p81 h ARG 111 N -0.45 0.85 -0.26 1.25 3.08 -1.32 -0.18 114.38 117.36 1p81 h ARG 111 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1p81 h ARG 111 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1p81 h ARG 111 CO -0.05 0.56 0.17 1.49 -1.07 0.00 0.00 179.97 181.07 1p81 h GLU 112 N 0.88 0.33 -0.56 0.04 4.81 -0.84 0.16 114.58 119.41 1p81 h GLU 112 Ca 0.25 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1p81 h GLU 112 Cb -0.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1p81 h GLU 112 CO -0.07 0.22 0.35 -0.22 -0.73 0.00 0.00 179.01 178.56 1p81 h LYS 113 N 0.34 0.67 -0.16 1.92 3.64 -1.12 -0.90 116.57 120.97 1p81 h LYS 113 Ca 0.10 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1p81 h LYS 113 Cb -0.03 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1p81 h LYS 113 CO -0.03 0.45 -0.63 0.82 -2.27 0.00 0.00 179.45 177.79 1p81 h ILE 114 N 0.69 1.33 -0.44 2.00 1.08 -0.93 -2.46 117.51 118.78 1p81 h ILE 114 Ca 0.22 -1.92 0.02 0.00 -0.39 0.00 0.00 64.86 62.79 1p81 h ILE 114 Cb -0.01 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 1p81 h ILE 114 CO -0.08 0.59 0.26 0.74 -0.69 0.00 0.00 178.15 178.97 1p81 h THR 115 N 0.42 1.04 -0.48 -0.27 2.02 -0.45 0.13 112.91 115.32 1p81 h THR 115 Ca -0.01 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1p81 h THR 115 Cb 1.20 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1p81 h THR 115 CO 0.12 0.09 0.23 -0.74 0.37 0.00 0.00 175.52 175.60 1p81 h HIS 116 N 0.52 0.68 -0.52 3.16 -0.00 -1.04 -2.37 115.15 115.57 1p81 h HIS 116 Ca 0.18 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1p81 h HIS 116 Cb 0.02 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.18 1p81 h HIS 116 CO -0.07 0.54 0.29 0.35 -0.00 0.00 0.00 177.93 179.04 1p81 h PHE 117 N 0.62 0.54 0.00 5.26 3.57 -1.22 -2.28 116.94 123.44 1p81 h PHE 117 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1p81 h PHE 117 Cb 0.11 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1p81 h PHE 117 CO -0.01 0.29 0.00 -0.44 -2.23 0.00 0.00 178.31 175.92 1p81 h ASP 118 N 0.57 0.00 -0.05 0.41 3.45 -0.37 -2.31 116.42 118.12 1p81 h ASP 118 Ca 0.22 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.66 1p81 h ASP 118 Cb 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1p81 h ASP 118 CO -0.12 0.00 -0.33 1.41 -1.57 0.00 0.00 179.24 178.62 1p81 n HIS 119 N -3.02 0.15 0.12 4.55 8.25 -0.89 -4.81 115.22 119.57 1p81 n HIS 119 Ca -0.02 -1.39 -0.00 0.00 -0.26 0.00 0.00 57.72 56.05 1p81 n HIS 119 Cb 0.14 -0.26 0.28 0.00 1.12 0.00 0.00 29.99 31.27 1p81 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1p81 h GLU 120 N 0.81 0.19 -6.56 -0.41 5.08 -1.05 -3.45 114.58 109.20 1p81 h GLU 120 Ca 0.03 -0.08 -0.52 0.00 -1.00 0.00 0.00 59.36 57.79 1p81 h GLU 120 Cb 1.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1p81 h GLU 120 CO 0.05 0.53 0.12 1.03 -1.00 0.00 0.00 179.01 179.74 1p81 s ARG 121 N -4.25 4.30 0.22 2.33 1.81 -1.26 -5.09 118.95 117.02 1p81 s ARG 121 Ca -0.04 0.91 0.11 0.00 -1.72 0.00 0.00 55.73 54.99 1p81 s ARG 121 Cb 0.14 -2.94 -0.05 0.00 -0.45 0.00 0.00 34.95 31.65 1p81 s ARG 121 CO 0.76 0.42 -0.22 0.96 -0.68 0.00 0.00 175.30 176.54 1p81 s ILE 122 N -1.46 2.33 0.27 1.52 -4.36 -1.26 -5.10 121.20 113.13 1p81 s ILE 122 Ca 0.42 -2.17 -0.30 0.00 -0.26 0.00 0.00 60.65 58.33 1p81 s ILE 122 Cb -0.18 -2.16 -0.13 0.00 1.25 0.00 0.00 42.46 41.24 1p81 s ILE 122 CO 0.22 -0.26 1.38 -2.65 0.24 0.00 0.00 174.94 173.86 1p81 n PRO 123 N -0.10 2.08 -1.71 0.37 -0.02 -1.26 -4.98 135.00 129.39 1p81 n PRO 123 Ca -0.10 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 1p81 n PRO 123 Cb 0.58 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.77 1p81 n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1p81 s GLU 124 N -0.84 1.98 0.51 -0.52 -1.05 -1.26 -4.82 118.70 112.70 1p81 s GLU 124 Ca 0.64 0.38 -0.23 0.00 -0.15 0.00 0.00 54.97 55.61 1p81 s GLU 124 Cb -0.62 -1.93 -0.06 0.00 -0.44 0.00 0.00 34.13 31.08 1p81 s GLU 124 CO 0.53 -1.63 1.38 0.54 0.95 0.00 0.00 175.26 177.03 1p81 n ARG 125 N -3.39 1.89 -0.10 -4.83 1.74 -1.26 -4.90 116.66 105.81 1p81 n ARG 125 Ca 0.07 0.68 -0.07 0.00 -0.77 0.00 0.00 57.85 57.76 1p81 n ARG 125 Cb 0.58 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1p81 n ARG 125 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1p81 h ILE 126 N 1.74 0.95 -3.63 0.55 1.08 -1.98 -3.36 117.51 112.87 1p81 h ILE 126 Ca -0.51 -0.11 -0.46 0.00 -0.39 0.00 0.00 64.86 63.40 1p81 h ILE 126 Cb 1.29 0.62 -0.19 0.00 -3.07 0.00 0.00 36.82 35.47 1p81 h ILE 126 CO 0.58 0.06 -0.78 0.68 -0.69 0.00 0.00 178.15 178.00 1p81 s VAL 127 N -6.16 1.47 -0.96 1.67 -7.23 -1.26 -4.81 120.40 103.11 1p81 s VAL 127 Ca -0.13 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 1p81 s VAL 127 Cb 0.11 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1p81 s VAL 127 CO 0.71 -0.31 0.21 1.41 -0.31 0.00 0.00 175.10 176.81 1p81 n HIS 128 N 0.67 -0.92 0.19 2.82 8.25 0.34 -4.91 115.22 121.67 1p81 n HIS 128 Ca -0.16 0.18 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1p81 n HIS 128 Cb 0.56 -2.93 0.43 0.00 1.12 0.00 0.00 29.99 29.17 1p81 n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p81 h ALA 129 N 0.58 1.54 -2.22 -1.41 0.00 -1.71 -3.39 119.26 112.65 1p81 h ALA 129 Ca -0.30 -0.24 -0.63 0.00 0.00 0.00 0.00 54.91 53.74 1p81 h ALA 129 Cb 1.21 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1p81 h ALA 129 CO 0.34 0.34 0.22 0.50 0.00 0.00 0.00 179.25 180.64 1p81 s ARG 130 N -4.48 3.57 0.13 0.00 6.06 -1.24 -4.04 118.95 118.95 1p81 s ARG 130 Ca -0.04 -0.01 -0.22 0.00 -2.50 0.00 0.00 55.73 52.96 1p81 s ARG 130 Cb 0.15 -3.86 0.06 0.00 0.06 0.00 0.00 34.95 31.37 1p81 s ARG 130 CO 0.71 -0.87 0.56 0.20 -2.50 0.00 0.00 175.30 173.41 1p81 s GLY 131 N 1.90 -0.54 -0.03 8.12 0.00 -1.26 -1.69 107.32 113.81 1p81 s GLY 131 Ca 0.26 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.46 1p81 s GLY 131 CO 0.17 0.14 -0.07 -0.56 0.00 0.00 0.00 173.10 172.78 1p81 s SER 132 N -2.60 1.09 0.10 1.64 0.01 0.10 -4.95 113.70 109.09 1p81 s SER 132 Ca 0.00 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.13 1p81 s SER 132 Cb -0.00 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1p81 s SER 132 CO -0.10 0.02 -0.10 0.00 0.41 0.00 0.00 173.24 173.46 1p81 s ALA 133 N 0.44 1.15 0.10 1.44 0.00 -1.26 -1.07 121.76 122.55 1p81 s ALA 133 Ca -0.06 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 1p81 s ALA 133 Cb -0.11 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1p81 s ALA 133 CO 0.01 -0.03 0.35 0.00 0.00 0.00 0.00 175.76 176.09 1p81 s ALA 134 N -2.44 -0.77 0.23 0.00 0.00 -0.44 -4.54 121.76 113.81 1p81 s ALA 134 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 1p81 s ALA 134 Cb -0.03 0.58 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1p81 s ALA 134 CO 0.00 -0.57 0.48 -1.01 0.00 0.00 0.00 175.76 174.66 1p81 s HIS 135 N -3.55 3.47 0.00 0.00 3.76 -0.27 -0.99 115.29 117.71 1p81 s HIS 135 Ca 0.02 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.51 1p81 s HIS 135 Cb 0.02 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.66 1p81 s HIS 135 CO -0.10 0.29 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 1p81 n GLY 136 N -0.56 2.24 3.29 -2.22 0.00 -0.49 -1.29 105.19 106.16 1p81 n GLY 136 Ca -0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 1p81 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p81 s TYR 137 N -1.30 -0.14 0.10 1.61 -0.85 -0.47 -1.46 117.35 114.84 1p81 s TYR 137 Ca 0.00 -0.15 0.07 0.00 -0.52 0.00 0.00 57.07 56.48 1p81 s TYR 137 Cb 0.00 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.49 1p81 s TYR 137 CO 0.00 -0.64 -0.19 0.12 -1.52 0.00 0.00 175.55 173.32 1p81 s PHE 138 N -3.55 1.65 -0.15 -3.49 5.36 0.47 -1.36 117.98 116.92 1p81 s PHE 138 Ca 0.02 -0.43 -0.12 0.00 -0.96 0.00 0.00 56.93 55.43 1p81 s PHE 138 Cb 0.02 -0.90 0.04 0.00 -0.34 0.00 0.00 43.02 41.84 1p81 s PHE 138 CO -0.10 0.18 0.39 -1.14 -1.46 0.00 0.00 175.22 173.08 1p81 s GLN 139 N -1.93 0.42 0.64 10.12 0.74 -0.55 -0.99 119.66 128.11 1p81 s GLN 139 Ca 0.05 0.60 -0.15 0.00 0.05 0.00 0.00 55.36 55.91 1p81 s GLN 139 Cb -0.10 0.14 -0.01 0.00 1.10 0.00 0.00 33.01 34.14 1p81 s GLN 139 CO 0.04 -0.09 1.09 -1.25 -0.55 0.00 0.00 175.29 174.53 1p81 s PRO 140 N 0.57 2.98 0.27 1.67 0.05 -1.26 -1.59 135.00 137.70 1p81 s PRO 140 Ca -0.03 1.32 0.20 0.00 0.05 0.00 0.00 61.00 62.55 1p81 s PRO 140 Cb -0.05 -1.98 0.10 0.00 0.05 0.00 0.00 34.50 32.62 1p81 s PRO 140 CO -0.03 -1.09 1.27 1.88 0.05 0.00 0.00 177.00 179.07 1p81 h TYR 141 N 0.17 0.00 -2.29 0.56 0.99 -1.51 -3.38 116.97 111.50 1p81 h TYR 141 Ca -0.47 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.32 1p81 h TYR 141 Cb 1.24 0.00 -0.16 0.00 1.00 0.00 0.00 36.73 38.81 1p81 h TYR 141 CO 0.56 0.19 0.41 -1.59 -0.00 0.00 0.00 178.16 177.73 1p81 s LYS 142 N -3.17 0.90 0.25 4.88 -2.85 -1.26 -4.86 119.74 113.63 1p81 s LYS 142 Ca 0.02 -0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 54.48 1p81 s LYS 142 Cb 0.08 0.42 -0.10 0.00 -2.06 0.00 0.00 37.83 36.16 1p81 s LYS 142 CO 0.75 -0.37 1.48 0.45 0.10 0.00 0.00 175.35 177.75 1p81 s SER 143 N -2.19 6.60 -0.29 0.03 0.15 -1.26 -4.61 113.70 112.13 1p81 s SER 143 Ca 0.01 2.70 0.11 0.00 0.70 0.00 0.00 55.95 59.48 1p81 s SER 143 Cb -0.01 -2.62 0.60 0.00 -1.71 0.00 0.00 66.02 62.28 1p81 s SER 143 CO -0.06 -0.75 1.61 0.18 1.20 0.00 0.00 173.24 175.42 1p81 n LEU 144 N 2.50 4.96 0.32 3.45 4.77 0.15 -4.69 117.00 128.46 1p81 n LEU 144 Ca 0.08 -3.39 0.21 0.00 -0.03 0.00 0.00 56.01 52.88 1p81 n LEU 144 Cb 0.40 -0.67 1.09 0.00 -2.33 0.00 0.00 43.42 41.91 1p81 n LEU 144 CO 0.61 0.95 1.14 0.77 -1.33 0.00 0.00 177.39 179.53 1p81 h SER 145 N 1.70 0.00 0.63 -1.43 4.64 -1.77 -0.06 113.55 117.27 1p81 h SER 145 Ca 0.23 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1p81 h SER 145 Cb 1.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.03 1p81 h SER 145 CO 0.54 0.00 -0.26 0.44 -0.87 0.00 0.00 176.83 176.67 1p81 h ASP 146 N 0.00 0.00 0.00 4.97 3.45 -1.98 -3.32 116.42 119.54 1p81 h ASP 146 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1p81 h ASP 146 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1p81 h ASP 146 CO 0.00 0.26 -0.76 2.30 -1.57 0.00 0.00 179.24 179.48 1p81 n ILE 147 N -3.63 0.00 -3.70 0.35 -5.35 -0.18 -4.88 119.36 101.97 1p81 n ILE 147 Ca -0.01 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.10 1p81 n ILE 147 Cb 0.39 0.67 -0.09 0.00 -1.74 0.00 0.00 39.64 38.87 1p81 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p81 s THR 148 N -1.91 -0.00 -1.40 7.28 -1.32 -0.36 -3.35 115.64 114.57 1p81 s THR 148 Ca -0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1p81 s THR 148 Cb 0.03 -0.69 0.40 0.00 -1.51 0.00 0.00 72.50 70.73 1p81 s THR 148 CO 0.19 0.00 1.26 2.29 -2.21 0.00 0.00 174.62 176.14 1p81 n LYS 149 N 2.89 2.47 -1.76 7.08 2.85 -0.27 -3.76 118.16 127.67 1p81 n LYS 149 Ca -0.14 -1.60 -0.42 0.00 -1.05 0.00 0.00 58.31 55.10 1p81 n LYS 149 Cb 0.57 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.34 1p81 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p81 s ALA 150 N -1.67 3.46 0.27 0.58 0.00 -1.23 -4.68 121.76 118.49 1p81 s ALA 150 Ca 0.29 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 1p81 s ALA 150 Cb 0.18 -3.85 0.47 0.00 0.00 0.00 0.00 23.12 19.91 1p81 s ALA 150 CO 0.15 -1.71 1.84 0.22 0.00 0.00 0.00 175.76 176.25 1p81 h ASP 151 N 10.93 0.88 0.28 0.00 3.58 -1.92 -1.85 116.42 128.31 1p81 h ASP 151 Ca -0.45 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1p81 h ASP 151 Cb 1.22 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1p81 h ASP 151 CO 0.95 0.50 0.00 2.22 -2.88 0.00 0.00 179.24 180.03 1p81 n PHE 152 N -4.63 0.04 -0.09 0.28 1.16 -1.26 -2.11 117.46 110.85 1p81 n PHE 152 Ca 0.16 0.02 0.06 0.00 -1.87 0.00 0.00 57.45 55.82 1p81 n PHE 152 Cb 0.29 -0.53 0.14 0.00 -1.61 0.00 0.00 39.48 37.77 1p81 n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1p81 n LEU 153 N -1.54 2.79 0.08 5.98 4.77 -0.70 -4.66 117.00 123.73 1p81 n LEU 153 Ca 0.02 -1.86 0.13 0.00 -0.03 0.00 0.00 56.01 54.27 1p81 n LEU 153 Cb 0.09 -0.20 0.30 0.00 -2.33 0.00 0.00 43.42 41.29 1p81 n LEU 153 CO 0.08 0.68 0.64 -1.54 -1.33 0.00 0.00 177.39 175.92 1p81 n SER 154 N 0.54 0.74 -3.65 -1.43 3.41 -0.90 -0.68 113.62 111.66 1p81 n SER 154 Ca 0.11 0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1p81 n SER 154 Cb 0.41 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 1p81 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p81 s ASP 155 N -4.32 -0.75 0.52 4.04 3.68 -1.26 -4.50 116.67 114.08 1p81 s ASP 155 Ca 0.09 1.36 0.27 0.00 2.13 0.00 0.00 52.55 56.40 1p81 s ASP 155 Cb 0.13 1.33 1.45 0.00 -1.45 0.00 0.00 42.92 44.38 1p81 s ASP 155 CO 0.65 -0.23 2.08 1.55 0.13 0.00 0.00 175.17 179.35 1p81 h PRO 156 N 5.67 0.00 -0.01 4.34 0.13 -1.82 -0.55 132.00 139.77 1p81 h PRO 156 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1p81 h PRO 156 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1p81 h PRO 156 CO 0.12 0.12 -0.03 0.09 -0.23 0.00 0.00 178.00 178.06 1p81 n ASN 157 N -3.67 0.70 -4.61 1.44 5.03 -1.26 -4.41 115.26 108.49 1p81 n ASN 157 Ca -0.02 -1.10 -0.43 0.00 0.87 0.00 0.00 54.58 53.91 1p81 n ASN 157 Cb 0.23 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.95 1p81 n ASN 157 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1p81 s LYS 158 N -2.11 3.83 -0.25 3.52 2.20 -0.22 -5.00 119.74 121.71 1p81 s LYS 158 Ca 0.39 0.66 -0.13 0.00 -0.36 0.00 0.00 55.97 56.53 1p81 s LYS 158 Cb 0.21 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1p81 s LYS 158 CO 0.38 -1.11 0.29 0.42 -0.36 0.00 0.00 175.35 174.97 1p81 s ILE 159 N 3.89 5.26 -0.24 5.43 1.01 -1.26 -4.38 121.20 130.90 1p81 s ILE 159 Ca 0.43 0.42 -0.04 0.00 0.00 0.00 0.00 60.65 61.46 1p81 s ILE 159 Cb -0.10 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 1p81 s ILE 159 CO 0.23 0.25 -0.02 -0.89 0.00 0.00 0.00 174.94 174.51 1p81 s THR 160 N 1.56 3.46 0.49 2.92 2.01 -0.16 -4.95 115.64 120.98 1p81 s THR 160 Ca 0.12 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.29 1p81 s THR 160 Cb -0.15 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.65 1p81 s THR 160 CO 0.08 0.32 1.37 -2.84 -0.69 0.00 0.00 174.62 172.86 1p81 s PRO 161 N 1.47 3.46 0.11 4.92 0.02 -1.26 -0.39 135.00 143.33 1p81 s PRO 161 Ca 0.04 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.36 1p81 s PRO 161 Cb -0.15 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 1p81 s PRO 161 CO -0.02 -0.94 -0.09 0.14 -0.33 0.00 0.00 177.00 175.76 1p81 s VAL 162 N -1.28 0.94 -0.09 3.83 -7.23 -0.53 -1.50 120.40 114.54 1p81 s VAL 162 Ca 0.66 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1p81 s VAL 162 Cb -0.41 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 34.97 1p81 s VAL 162 CO 0.50 -0.71 -0.02 0.12 -0.31 0.00 0.00 175.10 174.69 1p81 s PHE 163 N -3.04 0.92 -0.07 2.82 5.36 -0.86 -1.39 117.98 121.72 1p81 s PHE 163 Ca 0.11 -0.36 0.04 0.00 -0.96 0.00 0.00 56.93 55.75 1p81 s PHE 163 Cb 0.01 -0.94 -0.01 0.00 -0.34 0.00 0.00 43.02 41.74 1p81 s PHE 163 CO -0.01 -0.39 -0.20 0.08 -1.46 0.00 0.00 175.22 173.23 1p81 s VAL 164 N 1.89 2.45 -0.09 3.12 1.01 -0.16 -0.83 120.40 127.79 1p81 s VAL 164 Ca 0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1p81 s VAL 164 Cb -0.13 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1p81 s VAL 164 CO -0.06 0.56 -0.18 -0.60 0.00 0.00 0.00 175.10 174.82 1p81 s ARG 165 N -0.12 2.40 0.02 2.72 3.52 0.17 -1.33 118.95 126.33 1p81 s ARG 165 Ca -0.04 -0.65 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1p81 s ARG 165 Cb -0.14 -1.92 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 1p81 s ARG 165 CO 0.04 0.05 0.08 -0.06 -0.81 0.00 0.00 175.30 174.60 1p81 s PHE 166 N 0.65 3.25 0.23 5.12 0.40 -0.23 -1.34 117.98 126.05 1p81 s PHE 166 Ca -0.13 0.16 -0.18 0.00 -0.60 0.00 0.00 56.93 56.17 1p81 s PHE 166 Cb -0.16 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.69 1p81 s PHE 166 CO 0.04 0.54 0.59 -1.54 0.70 0.00 0.00 175.22 175.55 1p81 s SER 167 N -1.90 -0.26 0.44 1.36 1.04 -0.51 -0.72 113.70 113.16 1p81 s SER 167 Ca 0.24 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1p81 s SER 167 Cb -0.12 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1p81 s SER 167 CO 0.16 -1.17 0.02 0.35 0.98 0.00 0.00 173.24 173.58 1p81 n THR 168 N -0.40 0.00 -0.01 2.02 -2.24 -0.68 -0.06 114.28 112.91 1p81 n THR 168 Ca -0.07 -0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1p81 n THR 168 Cb 0.61 -1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.41 1p81 n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p81 n VAL 169 N -1.46 0.21 0.01 2.28 0.31 -1.26 -3.90 118.33 114.52 1p81 n VAL 169 Ca 0.00 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.10 1p81 n VAL 169 Cb 0.01 -1.55 -0.14 0.00 -0.91 0.00 0.00 33.84 31.26 1p81 n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1p81 h GLN 170 N -0.12 0.21 -7.25 5.55 -0.00 -1.95 0.99 115.11 112.55 1p81 h GLN 170 Ca -0.08 -0.37 -0.49 0.00 -0.00 0.00 0.00 58.65 57.71 1p81 h GLN 170 Cb 1.04 0.14 0.19 0.00 0.00 0.00 0.00 27.48 28.85 1p81 h GLN 170 CO -0.05 1.18 0.18 0.20 0.00 0.00 0.00 178.83 180.33 1p81 s GLY 171 N -4.64 1.64 1.17 2.39 0.00 -1.26 -4.77 107.32 101.85 1p81 s GLY 171 Ca -0.18 0.32 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 1p81 s GLY 171 CO 0.77 0.82 1.18 -0.32 0.00 0.00 0.00 173.10 175.54 1p81 s GLY 172 N -2.75 1.65 0.52 0.20 0.00 -1.26 -3.70 107.32 101.98 1p81 s GLY 172 Ca 0.66 -1.12 0.30 0.00 0.00 0.00 0.00 44.72 44.57 1p81 s GLY 172 CO 0.60 -0.22 2.01 0.00 0.00 0.00 0.00 173.10 175.49 1p81 h ALA 173 N -2.43 1.11 -0.42 3.20 0.00 -1.95 -1.40 119.26 117.36 1p81 h ALA 173 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1p81 h ALA 173 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1p81 h ALA 173 CO 0.31 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1p81 n GLY 174 N -0.31 1.37 3.94 0.00 0.00 -1.26 -4.70 105.19 104.23 1p81 n GLY 174 Ca -0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1p81 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p81 s SER 175 N -1.28 3.50 0.36 1.61 1.04 -0.53 -5.06 113.70 113.35 1p81 s SER 175 Ca 0.37 0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.90 1p81 s SER 175 Cb 0.20 -0.34 -0.06 0.00 0.10 0.00 0.00 66.02 65.92 1p81 s SER 175 CO 0.28 -2.47 0.69 0.00 0.98 0.00 0.00 173.24 172.71 1p81 s ALA 176 N -3.70 3.45 -0.06 5.32 0.00 -1.26 -4.92 121.76 120.60 1p81 s ALA 176 Ca 0.71 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 1p81 s ALA 176 Cb -0.05 -2.55 -0.30 0.00 0.00 0.00 0.00 23.12 20.22 1p81 s ALA 176 CO 0.51 0.07 0.89 -0.44 0.00 0.00 0.00 175.76 176.80 1p81 h ASP 177 N 1.38 0.41 -0.59 0.00 3.45 -1.11 -3.38 116.42 116.59 1p81 h ASP 177 Ca -0.47 -0.95 -0.34 0.00 0.43 0.00 0.00 57.03 55.69 1p81 h ASP 177 Cb 1.19 -0.13 -0.13 0.00 -0.56 0.00 0.00 39.33 39.70 1p81 h ASP 177 CO 0.65 1.33 0.20 0.35 -1.57 0.00 0.00 179.24 180.20 1p81 n THR 178 N -4.19 2.99 -1.52 0.35 -2.24 -1.26 -4.92 114.28 103.49 1p81 n THR 178 Ca -0.13 -2.10 -0.29 0.00 -2.27 0.00 0.00 64.05 59.26 1p81 n THR 178 Cb 0.77 -1.60 0.14 0.00 -2.10 0.00 0.00 70.33 67.54 1p81 n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p81 s VAL 179 N -1.40 2.02 -0.32 2.28 -7.23 -1.26 -4.36 120.40 110.12 1p81 s VAL 179 Ca 0.48 0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.49 1p81 s VAL 179 Cb 0.30 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1p81 s VAL 179 CO -0.10 -0.01 0.46 -0.60 -0.31 0.00 0.00 175.10 174.54 1p81 s ARG 180 N -5.27 3.73 -0.02 4.82 3.52 -1.26 -4.58 118.95 119.89 1p81 s ARG 180 Ca 0.64 -0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.81 1p81 s ARG 180 Cb -0.15 -3.76 0.11 0.00 -1.56 0.00 0.00 34.95 29.59 1p81 s ARG 180 CO 0.53 -0.52 1.18 -2.00 -0.81 0.00 0.00 175.30 173.68 1p81 s GLU 181 N 2.25 0.55 0.75 5.12 2.12 -0.71 -4.61 118.70 124.17 1p81 s GLU 181 Ca 0.17 -0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.08 1p81 s GLU 181 Cb -0.16 0.20 0.05 0.00 0.26 0.00 0.00 34.13 34.49 1p81 s GLU 181 CO 0.12 -0.25 1.15 0.42 -0.54 0.00 0.00 175.26 176.16 1p81 s ILE 182 N -2.63 2.70 0.09 -3.70 -1.09 -1.26 -4.50 121.20 110.81 1p81 s ILE 182 Ca 0.12 0.30 0.09 0.00 -2.23 0.00 0.00 60.65 58.92 1p81 s ILE 182 Cb 0.02 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1p81 s ILE 182 CO -0.03 -0.23 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.12 1p81 s ARG 183 N -4.26 1.81 0.21 2.79 1.81 -1.26 -4.08 118.95 115.98 1p81 s ARG 183 Ca 0.69 -1.14 -0.17 0.00 -1.72 0.00 0.00 55.73 53.39 1p81 s ARG 183 Cb -0.24 -2.09 -0.08 0.00 -0.45 0.00 0.00 34.95 32.09 1p81 s ARG 183 CO 0.48 0.50 0.67 0.20 -0.68 0.00 0.00 175.30 176.46 1p81 s GLY 184 N -1.84 2.53 -0.32 -3.53 0.00 0.92 -0.61 107.32 104.46 1p81 s GLY 184 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 1p81 s GLY 184 CO 0.07 0.36 0.23 -0.12 0.00 0.00 0.00 173.10 173.65 1p81 s PHE 185 N -1.56 0.18 -0.17 1.90 2.19 0.79 -1.42 117.98 119.90 1p81 s PHE 185 Ca 0.43 -0.97 -0.02 0.00 0.33 0.00 0.00 56.93 56.69 1p81 s PHE 185 Cb -0.15 -0.73 -0.02 0.00 -1.31 0.00 0.00 43.02 40.81 1p81 s PHE 185 CO 0.20 -0.87 -0.08 0.00 1.83 0.00 0.00 175.22 176.30 1p81 s ALA 186 N 1.70 2.77 -0.15 11.12 0.00 -0.45 -0.81 121.76 135.95 1p81 s ALA 186 Ca 0.13 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1p81 s ALA 186 Cb -0.18 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.49 1p81 s ALA 186 CO -0.18 -0.00 -0.20 0.99 0.00 0.00 0.00 175.76 176.37 1p81 s THR 187 N 0.75 1.95 -0.33 0.00 2.01 0.08 -0.65 115.64 119.44 1p81 s THR 187 Ca -0.03 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.96 1p81 s THR 187 Cb -0.15 -1.75 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 1p81 s THR 187 CO 0.02 0.53 0.19 -0.75 -0.69 0.00 0.00 174.62 173.91 1p81 s LYS 188 N 1.02 3.27 -0.29 4.92 2.20 -0.01 -0.02 119.74 130.83 1p81 s LYS 188 Ca -0.03 -0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 54.64 1p81 s LYS 188 Cb -0.15 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1p81 s LYS 188 CO -0.06 -0.48 0.47 -0.06 -0.36 0.00 0.00 175.35 174.87 1p81 s PHE 189 N 1.63 3.24 -1.12 4.03 0.40 -0.02 -2.03 117.98 124.11 1p81 s PHE 189 Ca 0.04 0.45 -0.16 0.00 -0.60 0.00 0.00 56.93 56.66 1p81 s PHE 189 Cb -0.18 -2.73 0.14 0.00 0.51 0.00 0.00 43.02 40.76 1p81 s PHE 189 CO 0.07 -0.34 1.37 0.71 0.70 0.00 0.00 175.22 177.74 1p81 s TYR 190 N 2.26 3.24 0.71 0.36 2.02 -0.56 -1.93 117.35 123.46 1p81 s TYR 190 Ca 0.19 -1.76 -0.07 0.00 -0.37 0.00 0.00 57.07 55.05 1p81 s TYR 190 Cb -0.16 -4.37 0.07 0.00 -0.40 0.00 0.00 41.96 37.10 1p81 s TYR 190 CO 0.10 -1.50 1.03 0.95 -1.57 0.00 0.00 175.55 174.56 1p81 s THR 191 N 2.42 2.26 -1.02 -0.71 -4.23 -1.01 -4.36 115.64 108.98 1p81 s THR 191 Ca 0.41 -0.27 0.24 0.00 -1.18 0.00 0.00 61.69 60.89 1p81 s THR 191 Cb -0.03 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 71.03 1p81 s THR 191 CO -0.03 0.00 1.76 -0.62 -0.54 0.00 0.00 174.62 175.19 1p81 n GLU 192 N -2.95 0.02 -0.46 3.99 1.02 -1.26 -2.95 120.64 118.04 1p81 n GLU 192 Ca 0.08 0.09 0.07 0.00 -0.02 0.00 0.00 57.16 57.39 1p81 n GLU 192 Cb 0.60 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.69 1p81 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1p81 n GLU 193 N -1.49 1.34 0.00 3.49 1.02 -1.26 -4.83 120.64 118.91 1p81 n GLU 193 Ca 0.06 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.29 1p81 n GLU 193 Cb 0.27 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1p81 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p81 n GLY 194 N -1.11 3.19 3.72 0.62 0.00 -1.15 -4.74 105.19 105.72 1p81 n GLY 194 Ca 0.17 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1p81 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 195 N -2.82 3.44 -0.20 -0.61 -1.09 -1.26 -2.41 121.20 116.26 1p81 s ILE 195 Ca 0.00 1.10 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 1p81 s ILE 195 Cb 0.00 -3.70 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1p81 s ILE 195 CO 0.00 0.12 -0.17 0.12 -1.23 0.00 0.00 174.94 173.78 1p81 s PHE 196 N 0.65 2.78 -0.24 3.97 5.36 -0.81 -4.15 117.98 125.55 1p81 s PHE 196 Ca 0.60 -1.74 -0.09 0.00 -0.96 0.00 0.00 56.93 54.73 1p81 s PHE 196 Cb -0.35 -1.86 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1p81 s PHE 196 CO 0.33 -0.80 0.12 -0.51 -1.46 0.00 0.00 175.22 172.90 1p81 s ASP 197 N 1.28 5.69 -0.42 6.13 -0.00 -0.40 -0.84 116.67 128.11 1p81 s ASP 197 Ca 0.01 -0.03 -0.09 0.00 -0.00 0.00 0.00 52.55 52.45 1p81 s ASP 197 Cb -0.15 -2.02 0.08 0.00 -0.00 0.00 0.00 42.92 40.83 1p81 s ASP 197 CO -0.11 0.02 0.27 -0.22 -0.00 0.00 0.00 175.17 175.14 1p81 s LEU 198 N 1.29 5.22 -0.71 1.23 2.96 0.97 -4.44 118.68 125.19 1p81 s LEU 198 Ca 0.06 -1.58 -0.12 0.00 -0.22 0.00 0.00 54.13 52.28 1p81 s LEU 198 Cb -0.14 -1.98 0.18 0.00 0.50 0.00 0.00 46.19 44.75 1p81 s LEU 198 CO 0.05 -0.56 0.62 -0.69 -1.32 0.00 0.00 176.35 174.46 1p81 s VAL 199 N 1.40 5.04 0.06 1.68 1.01 -1.26 -0.74 120.40 127.58 1p81 s VAL 199 Ca 0.03 -2.35 0.00 0.00 0.00 0.00 0.00 61.98 59.67 1p81 s VAL 199 Cb -0.23 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 1p81 s VAL 199 CO 0.01 -0.95 0.01 0.61 0.00 0.00 0.00 175.10 174.78 1p81 n GLY 200 N 4.17 4.09 2.93 4.51 0.00 0.01 -4.89 105.19 116.01 1p81 n GLY 200 Ca 0.06 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 1p81 n GLY 200 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p81 n ASN 201 N -1.35 1.86 -0.92 1.61 3.02 -0.65 -0.15 115.26 118.69 1p81 n ASN 201 Ca -0.02 -2.86 0.10 0.00 -0.03 0.00 0.00 54.58 51.77 1p81 n ASN 201 Cb 0.07 0.68 0.26 0.00 -0.61 0.00 0.00 39.78 40.19 1p81 n ASN 201 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1p81 n ASN 202 N -1.49 2.72 -4.22 6.41 6.94 0.22 -0.17 115.26 125.67 1p81 n ASN 202 Ca -0.09 -1.93 -0.17 0.00 -0.02 0.00 0.00 54.58 52.37 1p81 n ASN 202 Cb 0.53 -0.27 -0.11 0.00 -2.36 0.00 0.00 39.78 37.57 1p81 n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1p81 s THR 203 N -1.47 1.21 -2.05 5.53 -4.23 -1.26 -4.54 115.64 108.83 1p81 s THR 203 Ca 0.36 -1.73 0.32 0.00 -1.18 0.00 0.00 61.69 59.45 1p81 s THR 203 Cb 0.19 -1.52 0.87 0.00 1.34 0.00 0.00 72.50 73.39 1p81 s THR 203 CO 0.27 -0.49 2.18 -0.81 -0.54 0.00 0.00 174.62 175.23 1p81 n PRO 204 N 0.46 1.06 -4.23 3.99 -0.04 -1.26 -4.55 135.00 130.42 1p81 n PRO 204 Ca -0.15 -0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.08 1p81 n PRO 204 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1p81 n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1p81 s ILE 205 N -2.00 0.09 0.40 0.52 -0.00 -1.26 -4.52 121.20 114.43 1p81 s ILE 205 Ca 0.47 -2.00 0.08 0.00 -0.00 0.00 0.00 60.65 59.20 1p81 s ILE 205 Cb 0.22 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.46 40.11 1p81 s ILE 205 CO 0.37 0.00 0.17 0.12 -0.00 0.00 0.00 174.94 175.59 1p81 s PHE 206 N -3.98 2.61 0.29 1.37 5.99 0.16 -4.88 117.98 119.55 1p81 s PHE 206 Ca 0.39 -0.56 0.11 0.00 0.00 0.00 0.00 56.93 56.87 1p81 s PHE 206 Cb 0.06 -1.90 0.44 0.00 0.00 0.00 0.00 43.02 41.61 1p81 s PHE 206 CO 0.15 0.22 1.66 0.74 -0.00 0.00 0.00 175.22 177.98 1p81 h PHE 207 N 1.46 0.01 -3.16 10.12 -1.00 -1.87 -3.39 116.94 119.11 1p81 h PHE 207 Ca -0.43 -0.00 -0.42 0.00 2.81 0.00 0.00 57.97 59.93 1p81 h PHE 207 Cb 1.25 -0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.66 1p81 h PHE 207 CO 0.63 0.57 -0.74 0.96 -1.61 0.00 0.00 178.31 178.12 1p81 s ILE 208 N -3.75 1.54 -0.13 -0.55 -4.36 -1.26 -2.62 121.20 110.08 1p81 s ILE 208 Ca -0.02 -2.06 -0.04 0.00 -0.26 0.00 0.00 60.65 58.27 1p81 s ILE 208 Cb 0.13 -1.89 -0.25 0.00 1.25 0.00 0.00 42.46 41.70 1p81 s ILE 208 CO 0.76 -0.57 0.31 0.00 0.24 0.00 0.00 174.94 175.67 1p81 n GLN 209 N -0.11 0.74 -5.08 0.37 6.02 -1.26 -4.64 117.38 113.41 1p81 n GLN 209 Ca -0.10 0.25 -0.32 0.00 -0.01 0.00 0.00 57.00 56.81 1p81 n GLN 209 Cb 0.59 -1.69 -0.15 0.00 1.02 0.00 0.00 30.24 30.02 1p81 n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1p81 s ASP 210 N -6.90 3.54 0.59 1.08 -1.08 -1.26 -2.63 116.67 110.00 1p81 s ASP 210 Ca -0.23 -0.36 0.29 0.00 -0.52 0.00 0.00 52.55 51.74 1p81 s ASP 210 Cb 0.07 -0.79 1.70 0.00 -1.46 0.00 0.00 42.92 42.44 1p81 s ASP 210 CO 0.75 0.30 2.11 0.00 0.52 0.00 0.00 175.17 178.85 1p81 h ALA 211 N 5.69 1.74 -0.15 3.66 0.00 -1.67 -1.94 119.26 126.59 1p81 h ALA 211 Ca -0.40 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1p81 h ALA 211 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1p81 h ALA 211 CO 0.49 -0.27 0.16 1.25 0.00 0.00 0.00 179.25 180.88 1p81 h HIS 212 N 0.00 0.00 -0.19 0.00 6.17 -1.95 -1.20 115.15 117.98 1p81 h HIS 212 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1p81 h HIS 212 Cb 0.45 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.38 1p81 h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1p81 n LYS 213 N -3.91 1.98 -0.11 5.26 5.02 -0.73 -4.48 118.16 121.20 1p81 n LYS 213 Ca 0.01 -1.47 -0.07 0.00 -2.02 0.00 0.00 58.31 54.75 1p81 n LYS 213 Cb 0.28 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1p81 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1p81 h PHE 214 N 3.07 0.36 -0.51 2.13 3.04 -1.37 -1.20 116.94 122.46 1p81 h PHE 214 Ca 0.00 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.02 1p81 h PHE 214 Cb 0.67 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.04 1p81 h PHE 214 CO 0.12 0.20 0.34 -1.35 -2.02 0.00 0.00 178.31 175.60 1p81 h PRO 215 N 0.39 0.43 -0.04 6.41 0.11 -1.81 0.76 132.00 138.25 1p81 h PRO 215 Ca 0.14 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1p81 h PRO 215 Cb 0.03 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1p81 h PRO 215 CO -0.08 0.28 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.46 1p81 h ASP 216 N 0.44 0.15 -0.21 -2.05 3.45 -1.58 0.31 116.42 116.92 1p81 h ASP 216 Ca 0.22 -0.59 0.00 0.00 0.43 0.00 0.00 57.03 57.09 1p81 h ASP 216 Cb 0.31 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1p81 h ASP 216 CO -0.06 0.71 0.14 0.15 -1.57 0.00 0.00 179.24 178.62 1p81 h PHE 217 N -0.41 0.27 -0.03 4.55 3.04 -0.93 -1.22 116.94 122.20 1p81 h PHE 217 Ca -0.00 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1p81 h PHE 217 Cb 0.70 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 1p81 h PHE 217 CO 0.13 0.17 0.01 0.28 -2.02 0.00 0.00 178.31 176.88 1p81 h VAL 218 N 0.29 1.10 -0.81 1.41 2.07 -0.89 -1.06 116.25 118.36 1p81 h VAL 218 Ca 0.08 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1p81 h VAL 218 Cb -0.03 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1p81 h VAL 218 CO -0.02 0.08 0.53 0.45 0.02 0.00 0.00 177.57 178.64 1p81 h HIS 219 N -0.08 0.93 -0.23 1.57 3.86 -0.86 -0.44 115.15 119.90 1p81 h HIS 219 Ca 0.01 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1p81 h HIS 219 Cb 0.12 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1p81 h HIS 219 CO -0.03 0.51 -0.20 0.00 0.86 0.00 0.00 177.93 179.06 1p81 h ALA 220 N 1.55 1.24 0.08 2.45 0.00 -0.64 -3.21 119.26 120.72 1p81 h ALA 220 Ca 0.34 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1p81 h ALA 220 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1p81 h ALA 220 CO -0.11 0.50 -1.35 -0.24 0.00 0.00 0.00 179.25 178.05 1p81 h VAL 221 N 0.37 1.34 -3.71 0.00 3.04 -0.65 -2.52 116.25 114.12 1p81 h VAL 221 Ca 0.06 -3.01 -0.46 0.00 -1.01 0.00 0.00 66.70 62.28 1p81 h VAL 221 Cb 0.56 2.79 0.18 0.00 -2.01 0.00 0.00 31.29 32.81 1p81 h VAL 221 CO 0.04 0.84 0.13 -0.54 -1.01 0.00 0.00 177.57 177.03 1p81 s LYS 222 N -2.65 0.10 0.25 4.17 -0.14 -0.23 -4.69 119.74 116.56 1p81 s LYS 222 Ca -0.05 0.83 -0.30 0.00 -1.36 0.00 0.00 55.97 55.09 1p81 s LYS 222 Cb 0.08 -1.67 -0.14 0.00 -1.68 0.00 0.00 37.83 34.41 1p81 s LYS 222 CO 0.85 -3.04 1.23 -2.30 -0.76 0.00 0.00 175.35 171.33 1p81 n PRO 223 N -4.43 1.65 -2.11 -1.68 -0.02 -1.26 -4.79 135.00 122.36 1p81 n PRO 223 Ca 0.05 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 1p81 n PRO 223 Cb 0.55 -2.12 0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1p81 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p81 s GLU 224 N -0.91 3.53 0.48 -0.52 2.02 -0.35 -4.71 118.70 118.24 1p81 s GLU 224 Ca 0.65 1.90 0.26 0.00 0.02 0.00 0.00 54.97 57.80 1p81 s GLU 224 Cb -0.70 -2.32 1.15 0.00 0.10 0.00 0.00 34.13 32.35 1p81 s GLU 224 CO 0.55 -0.78 1.93 -1.00 0.02 0.00 0.00 175.26 175.97 1p81 h PRO 225 N 1.79 0.00 -0.04 0.39 0.13 -1.90 0.71 132.00 133.09 1p81 h PRO 225 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1p81 h PRO 225 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1p81 h PRO 225 CO 0.59 0.18 -0.06 1.12 -0.23 0.00 0.00 178.00 179.60 1p81 h HIS 226 N 0.00 0.13 0.00 1.56 2.07 -1.96 -3.39 115.15 113.56 1p81 h HIS 226 Ca -0.00 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1p81 h HIS 226 Cb 0.58 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1p81 h HIS 226 CO 0.00 0.63 0.00 -2.67 -3.07 0.00 0.00 177.93 172.82 1p81 n TRP 227 N -4.73 0.00 -3.62 6.12 4.27 -1.20 -5.04 117.44 113.25 1p81 n TRP 227 Ca -0.08 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.30 1p81 n TRP 227 Cb 0.32 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.31 1p81 n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1p81 n ALA 228 N -0.08 -2.26 -2.80 -1.67 0.00 0.24 -5.00 120.51 108.95 1p81 n ALA 228 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1p81 n ALA 228 Cb 0.01 -3.30 -0.14 0.00 0.00 0.00 0.00 19.45 16.03 1p81 n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p81 s ILE 229 N -3.56 0.40 0.15 0.00 1.01 -1.25 -4.67 121.20 113.26 1p81 s ILE 229 Ca 0.23 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1p81 s ILE 229 Cb -0.06 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1p81 s ILE 229 CO 0.81 -0.02 0.09 -2.16 0.00 0.00 0.00 174.94 173.66 1p81 s PRO 230 N -0.47 2.77 0.11 2.79 0.04 -1.26 -1.21 135.00 137.76 1p81 s PRO 230 Ca -0.01 -0.89 -0.28 0.00 0.04 0.00 0.00 61.00 59.86 1p81 s PRO 230 Cb -0.04 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 1p81 s PRO 230 CO -0.00 0.50 0.89 -1.14 0.04 0.00 0.00 177.00 177.29 1p81 s GLN 231 N -2.90 4.65 -1.92 4.56 2.00 -1.26 -4.06 119.66 120.72 1p81 s GLN 231 Ca 0.30 1.33 0.00 0.00 -2.00 0.00 0.00 55.36 54.98 1p81 s GLN 231 Cb -0.10 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.35 1p81 s GLN 231 CO 0.22 0.28 0.00 0.41 -0.50 0.00 0.00 175.29 175.70 1p81 n GLY 232 N 2.19 0.82 2.91 2.59 0.00 -1.26 -4.98 105.19 107.45 1p81 n GLY 232 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1p81 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p81 s GLN 233 N -4.29 0.31 0.00 1.61 -0.21 -1.26 -4.49 119.66 111.33 1p81 s GLN 233 Ca 0.00 -0.08 0.27 0.00 0.02 0.00 0.00 55.36 55.56 1p81 s GLN 233 Cb 0.00 -0.34 0.86 0.00 1.00 0.00 0.00 33.01 34.53 1p81 s GLN 233 CO 0.00 0.03 1.63 -1.13 -2.12 0.00 0.00 175.29 173.70 1p81 n SER 234 N 3.26 0.78 -3.53 5.90 3.41 -1.26 -4.71 113.62 117.47 1p81 n SER 234 Ca -0.16 -0.67 -0.38 0.00 -0.26 0.00 0.00 58.87 57.39 1p81 n SER 234 Cb 0.57 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1p81 n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 n ALA 235 N -0.87 4.74 -3.13 7.33 0.00 -1.26 -4.59 120.51 122.73 1p81 n ALA 235 Ca 0.12 -3.24 -0.11 0.00 0.00 0.00 0.00 53.44 50.21 1p81 n ALA 235 Cb 0.33 -3.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.29 1p81 n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1p81 s HIS 236 N 3.83 -0.31 0.19 0.00 -3.43 -1.26 -4.73 115.29 109.58 1p81 s HIS 236 Ca 0.52 0.02 -0.16 0.00 -0.80 0.00 0.00 55.06 54.64 1p81 s HIS 236 Cb 0.14 0.35 0.16 0.00 -1.43 0.00 0.00 32.58 31.79 1p81 s HIS 236 CO 0.01 -0.75 1.64 -0.44 -2.00 0.00 0.00 174.74 173.20 1p81 h ASP 237 N 2.25 -0.54 -0.22 7.38 5.19 -1.88 -2.90 116.42 125.70 1p81 h ASP 237 Ca -0.34 0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.18 1p81 h ASP 237 Cb 1.27 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 41.10 1p81 h ASP 237 CO 0.44 -0.19 -0.00 0.71 -3.12 0.00 0.00 179.24 177.08 1p81 h THR 238 N -0.03 1.19 -0.01 0.35 1.35 -1.94 0.30 112.91 114.12 1p81 h THR 238 Ca 0.24 -0.76 -0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1p81 h THR 238 Cb 0.40 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1p81 h THR 238 CO -0.53 0.26 0.00 0.15 -0.25 0.00 0.00 175.52 175.15 1p81 h PHE 239 N 0.49 0.03 0.00 4.73 3.57 -1.24 -1.95 116.94 122.56 1p81 h PHE 239 Ca 0.11 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1p81 h PHE 239 Cb 0.32 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1p81 h PHE 239 CO 0.01 0.32 -0.22 -1.49 -2.23 0.00 0.00 178.31 174.70 1p81 h TRP 240 N -0.28 0.00 0.24 0.41 4.06 -1.44 -0.95 115.95 118.00 1p81 h TRP 240 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1p81 h TRP 240 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 1p81 h TRP 240 CO 0.03 0.22 -0.12 0.22 -3.56 0.00 0.00 178.44 175.24 1p81 h ASP 241 N 0.00 -0.27 -0.08 -3.49 3.58 -0.26 -0.16 116.42 115.74 1p81 h ASP 241 Ca -0.00 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.38 1p81 h ASP 241 Cb 0.72 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1p81 h ASP 241 CO 0.03 -0.09 0.03 0.22 -2.88 0.00 0.00 179.24 176.55 1p81 h TYR 242 N -0.44 0.06 -0.27 0.28 5.03 -1.06 -2.41 116.97 118.16 1p81 h TYR 242 Ca -0.03 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.33 1p81 h TYR 242 Cb 0.34 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.55 1p81 h TYR 242 CO -0.03 0.03 -0.01 0.28 -1.32 0.00 0.00 178.16 177.11 1p81 h VAL 243 N 0.07 0.79 -0.22 1.81 2.07 -1.14 -0.78 116.25 118.86 1p81 h VAL 243 Ca 0.03 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1p81 h VAL 243 Cb 0.01 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1p81 h VAL 243 CO -0.03 0.01 0.20 0.77 0.02 0.00 0.00 177.57 178.54 1p81 h SER 244 N 0.06 0.00 0.01 0.57 4.64 -0.78 -2.21 113.55 115.84 1p81 h SER 244 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1p81 h SER 244 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1p81 h SER 244 CO -0.23 0.00 -0.37 0.18 -0.87 0.00 0.00 176.83 175.54 1p81 n LEU 245 N -4.02 2.07 -3.48 5.97 4.77 -0.56 -4.68 117.00 117.08 1p81 n LEU 245 Ca 0.02 -0.74 -0.28 0.00 -0.03 0.00 0.00 56.01 54.98 1p81 n LEU 245 Cb 0.33 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 1p81 n LEU 245 CO 0.30 0.38 -0.30 -1.10 -1.33 0.00 0.00 177.39 175.34 1p81 s GLN 246 N -2.40 0.88 0.66 3.23 -1.52 -0.41 -5.00 119.66 115.10 1p81 s GLN 246 Ca 0.21 -1.85 0.41 0.00 -1.95 0.00 0.00 55.36 52.18 1p81 s GLN 246 Cb 0.19 -1.56 2.27 0.00 -0.22 0.00 0.00 33.01 33.69 1p81 s GLN 246 CO 0.52 -1.29 2.31 -1.00 -0.25 0.00 0.00 175.29 175.58 1p81 h PRO 247 N 6.28 0.00 -0.31 2.91 0.13 -1.84 -1.79 132.00 137.38 1p81 h PRO 247 Ca 0.15 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.37 1p81 h PRO 247 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1p81 h PRO 247 CO 0.36 0.00 0.31 1.05 -0.23 0.00 0.00 178.00 179.48 1p81 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -1.95 114.58 115.72 1p81 h GLU 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p81 h GLU 248 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1p81 h GLU 248 CO -0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1p81 h THR 249 N 0.00 0.00 -0.79 -1.06 1.35 -1.07 -3.36 112.91 107.98 1p81 h THR 249 Ca 0.15 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1p81 h THR 249 Cb 0.76 1.33 -0.04 0.00 -1.73 0.00 0.00 68.15 68.47 1p81 h THR 249 CO -0.00 0.00 0.50 -0.07 -0.25 0.00 0.00 175.52 175.70 1p81 h LEU 250 N 0.00 0.92 0.41 3.87 3.38 -1.56 -1.88 115.31 120.44 1p81 h LEU 250 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1p81 h LEU 250 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1p81 h LEU 250 CO 0.00 0.69 -0.20 -0.74 0.09 0.00 0.00 178.44 178.28 1p81 h HIS 251 N 1.07 -0.51 -0.17 1.13 2.76 -1.81 -0.48 115.15 117.16 1p81 h HIS 251 Ca 0.29 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.39 1p81 h HIS 251 Cb -0.09 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1p81 h HIS 251 CO 0.00 -0.30 -0.13 -0.97 -1.30 0.00 0.00 177.93 175.24 1p81 h ASN 252 N -0.58 0.25 -0.60 3.26 -0.00 -1.73 -1.98 115.58 114.19 1p81 h ASN 252 Ca -0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1p81 h ASN 252 Cb 0.44 -0.07 -0.03 0.00 -0.00 0.00 0.00 38.32 38.67 1p81 h ASN 252 CO 0.09 0.41 0.37 0.58 -0.00 0.00 0.00 177.43 178.88 1p81 h VAL 253 N 0.25 1.17 -0.66 2.57 2.07 -1.12 -0.85 116.25 119.69 1p81 h VAL 253 Ca 0.05 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1p81 h VAL 253 Cb 0.39 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1p81 h VAL 253 CO 0.02 0.17 0.34 0.24 0.02 0.00 0.00 177.57 178.36 1p81 h MET 254 N 0.82 0.58 -0.54 1.57 2.86 -0.32 -1.07 114.93 118.83 1p81 h MET 254 Ca 0.22 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1p81 h MET 254 Cb -0.04 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1p81 h MET 254 CO -0.04 0.39 0.22 -1.49 1.06 0.00 0.00 176.91 177.04 1p81 h TRP 255 N 0.60 0.82 -0.53 -0.22 4.06 -1.15 -2.11 115.95 117.41 1p81 h TRP 255 Ca 0.31 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 61.17 1p81 h TRP 255 Cb 0.27 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 1p81 h TRP 255 CO -0.10 0.67 0.22 0.00 -3.56 0.00 0.00 178.44 175.67 1p81 h ALA 256 N 1.07 1.38 0.00 1.49 0.00 -0.51 -2.41 119.26 120.28 1p81 h ALA 256 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1p81 h ALA 256 Cb 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p81 h ALA 256 CO -0.02 0.47 0.00 0.52 0.00 0.00 0.00 179.25 180.22 1p81 h MET 257 N 0.76 0.00 -7.74 0.00 2.86 -1.10 -3.34 114.93 106.37 1p81 h MET 257 Ca 0.18 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.38 1p81 h MET 257 Cb 0.14 0.00 0.17 0.00 0.06 0.00 0.00 31.60 31.97 1p81 h MET 257 CO -0.02 0.00 0.37 -1.54 1.06 0.00 0.00 176.91 176.79 1p81 s SER 258 N -5.60 2.81 0.00 1.22 1.04 -0.80 -4.08 113.70 108.28 1p81 s SER 258 Ca 0.07 0.36 0.15 0.00 0.48 0.00 0.00 55.95 57.01 1p81 s SER 258 Cb 0.08 -0.47 0.74 0.00 0.10 0.00 0.00 66.02 66.47 1p81 s SER 258 CO 0.62 -2.93 1.43 0.47 0.98 0.00 0.00 173.24 173.81 1p81 n ASP 259 N -3.91 0.00 0.14 7.02 10.43 -1.26 -1.96 116.55 127.00 1p81 n ASP 259 Ca 0.14 0.14 0.07 0.00 2.57 0.00 0.00 54.79 57.71 1p81 n ASP 259 Cb 0.59 -0.32 0.55 0.00 1.84 0.00 0.00 41.12 43.78 1p81 n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1p81 h ARG 260 N 0.00 0.23 0.00 -1.24 2.47 -1.88 -1.84 114.38 112.13 1p81 h ARG 260 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1p81 h ARG 260 Cb 0.16 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1p81 h ARG 260 CO 0.00 0.15 0.00 0.41 0.56 0.00 0.00 179.97 181.09 1p81 n GLY 261 N -1.51 -1.06 2.28 0.04 0.00 -0.83 -4.01 105.19 100.10 1p81 n GLY 261 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1p81 n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1p81 n ILE 262 N -1.36 0.31 -1.71 -0.61 -5.35 -0.69 -1.74 119.36 108.21 1p81 n ILE 262 Ca 0.08 -4.45 -0.39 0.00 -0.27 0.00 0.00 62.75 57.73 1p81 n ILE 262 Cb 0.19 -1.82 0.04 0.00 -1.74 0.00 0.00 39.64 36.31 1p81 n ILE 262 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1p81 n PRO 263 N 1.09 1.51 -0.04 6.28 -0.04 -1.26 -0.21 135.00 142.33 1p81 n PRO 263 Ca 0.24 0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 64.16 1p81 n PRO 263 Cb 0.50 -2.46 0.05 0.00 -0.04 0.00 0.00 33.50 31.56 1p81 n PRO 263 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1p81 h ARG 264 N 1.25 0.69 -2.39 0.54 9.65 -1.56 -3.39 114.38 119.17 1p81 h ARG 264 Ca -0.50 -0.37 0.01 0.00 -1.10 0.00 0.00 59.98 58.02 1p81 h ARG 264 Cb 1.32 0.02 -0.16 0.00 -1.39 0.00 0.00 29.97 29.76 1p81 h ARG 264 CO 0.56 0.99 0.31 0.45 2.80 0.00 0.00 179.97 185.07 1p81 s SER 265 N -6.87 -0.52 0.58 -3.80 0.15 -1.26 -4.93 113.70 97.04 1p81 s SER 265 Ca -0.09 0.25 0.32 0.00 0.70 0.00 0.00 55.95 57.13 1p81 s SER 265 Cb 0.12 0.50 1.77 0.00 -1.71 0.00 0.00 66.02 66.70 1p81 s SER 265 CO 0.85 -0.72 2.20 1.88 1.20 0.00 0.00 173.24 178.65 1p81 h TYR 266 N 2.34 0.00 0.00 3.44 0.05 -1.89 -1.68 116.97 119.23 1p81 h TYR 266 Ca -0.27 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.49 1p81 h TYR 266 Cb 1.23 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.97 1p81 h TYR 266 CO 0.28 0.04 -0.09 0.00 -1.05 0.00 0.00 178.16 177.35 1p81 h ARG 267 N 0.00 0.00 -1.05 4.88 3.08 -1.96 -3.32 114.38 116.00 1p81 h ARG 267 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.45 1p81 h ARG 267 Cb 0.15 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.80 1p81 h ARG 267 CO 0.01 0.09 -0.40 0.25 -1.07 0.00 0.00 179.97 178.84 1p81 n THR 268 N -3.21 2.74 -4.16 2.04 -2.24 -0.63 -4.36 114.28 104.46 1p81 n THR 268 Ca 0.01 -4.19 -0.11 0.00 -2.27 0.00 0.00 64.05 57.49 1p81 n THR 268 Cb 0.37 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.32 1p81 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p81 s MET 269 N -3.66 0.80 0.52 -0.78 0.23 -1.25 -1.68 119.30 113.48 1p81 s MET 269 Ca 0.53 -1.26 -0.04 0.00 -1.03 0.00 0.00 55.69 53.89 1p81 s MET 269 Cb 0.43 -0.22 -0.01 0.00 -1.53 0.00 0.00 34.83 33.50 1p81 s MET 269 CO -0.05 -0.01 0.80 -1.21 -2.03 0.00 0.00 175.02 172.51 1p81 s GLU 270 N -3.55 3.12 0.03 3.16 2.02 -1.26 -4.21 118.70 118.01 1p81 s GLU 270 Ca 0.09 -0.11 0.06 0.00 0.02 0.00 0.00 54.97 55.03 1p81 s GLU 270 Cb 0.03 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 1p81 s GLU 270 CO -0.04 -0.44 -0.18 0.20 0.02 0.00 0.00 175.26 174.83 1p81 s GLY 271 N -4.23 0.94 0.00 -1.39 0.00 -0.78 -4.16 107.32 97.70 1p81 s GLY 271 Ca 0.50 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 1p81 s GLY 271 CO 0.43 -0.84 0.02 -1.36 0.00 0.00 0.00 173.10 171.35 1p81 s PHE 272 N -0.73 0.07 -0.71 1.90 0.08 0.77 -1.24 117.98 118.12 1p81 s PHE 272 Ca 0.05 -0.14 0.26 0.00 0.12 0.00 0.00 56.93 57.22 1p81 s PHE 272 Cb -0.08 -0.06 0.75 0.00 -0.57 0.00 0.00 43.02 43.06 1p81 s PHE 272 CO 0.01 -0.10 1.74 0.78 -0.10 0.00 0.00 175.22 177.56 1p81 h GLY 273 N 5.44 0.00 0.00 4.36 0.00 -1.53 -1.74 103.07 109.60 1p81 h GLY 273 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1p81 h GLY 273 CO 0.45 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.38 1p81 n ILE 274 N -2.32 0.00 -2.16 2.60 5.41 -1.26 -4.84 119.36 116.79 1p81 n ILE 274 Ca 0.05 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.46 1p81 n ILE 274 Cb 0.44 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.38 1p81 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p81 s HIS 275 N 0.00 2.77 -0.13 1.39 3.76 -1.26 -4.89 115.29 116.93 1p81 s HIS 275 Ca 0.00 1.55 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 1p81 s HIS 275 Cb 0.00 -3.18 -0.01 0.00 1.11 0.00 0.00 32.58 30.50 1p81 s HIS 275 CO 0.00 -1.40 0.92 0.99 -0.85 0.00 0.00 174.74 174.40 1p81 s THR 276 N -2.05 4.84 0.00 1.30 2.01 -1.26 -4.59 115.64 115.88 1p81 s THR 276 Ca 0.69 1.84 0.00 0.00 0.31 0.00 0.00 61.69 64.53 1p81 s THR 276 Cb -0.20 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.08 1p81 s THR 276 CO 0.31 0.03 0.00 0.49 -0.69 0.00 0.00 174.62 174.76 1p81 n PHE 277 N 5.00 -1.81 -4.51 4.92 3.72 0.02 -4.25 117.46 120.56 1p81 n PHE 277 Ca 0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.26 1p81 n PHE 277 Cb 0.49 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.88 1p81 n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1p81 s ARG 278 N -2.00 0.96 -0.13 -1.08 0.52 -0.25 -1.23 118.95 115.74 1p81 s ARG 278 Ca 0.00 -0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1p81 s ARG 278 Cb 0.00 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 1p81 s ARG 278 CO 0.00 0.25 0.14 -0.51 0.02 0.00 0.00 175.30 175.20 1p81 s LEU 279 N -0.35 4.36 -0.10 2.53 1.43 -0.02 -0.95 118.68 125.58 1p81 s LEU 279 Ca 0.04 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1p81 s LEU 279 Cb -0.05 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1p81 s LEU 279 CO -0.00 0.37 -0.19 -0.63 0.23 0.00 0.00 176.35 176.13 1p81 s ILE 280 N -0.81 1.76 0.49 -0.59 -1.09 -0.29 -1.30 121.20 119.37 1p81 s ILE 280 Ca 0.14 -0.83 0.06 0.00 -2.23 0.00 0.00 60.65 57.80 1p81 s ILE 280 Cb -0.12 -1.56 0.09 0.00 -1.58 0.00 0.00 42.46 39.29 1p81 s ILE 280 CO 0.03 0.49 0.68 -0.46 -1.23 0.00 0.00 174.94 174.46 1p81 n ASN 281 N 3.84 1.59 0.14 3.58 0.23 -0.89 -1.11 115.26 122.64 1p81 n ASN 281 Ca -0.20 -2.19 0.03 0.00 -0.53 0.00 0.00 54.58 51.70 1p81 n ASN 281 Cb 0.52 -0.38 0.43 0.00 -2.08 0.00 0.00 39.78 38.27 1p81 n ASN 281 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p81 h ALA 282 N 0.04 1.59 0.00 -2.53 0.00 -1.88 -1.17 119.26 115.30 1p81 h ALA 282 Ca -0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1p81 h ALA 282 Cb 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1p81 h ALA 282 CO 0.31 0.30 0.00 -0.85 0.00 0.00 0.00 179.25 179.01 1p81 n GLU 283 N -4.31 0.03 -0.52 0.00 0.28 -1.26 -4.81 120.64 110.04 1p81 n GLU 283 Ca -0.01 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 1p81 n GLU 283 Cb 0.24 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.57 1p81 n GLU 283 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1p81 n GLY 284 N 0.78 0.70 3.75 -1.84 0.00 -0.44 -5.06 105.19 103.08 1p81 n GLY 284 Ca 0.05 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1p81 n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p81 s LYS 285 N -0.80 4.71 -0.14 1.61 2.20 -1.26 -4.79 119.74 121.26 1p81 s LYS 285 Ca 0.00 1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 56.93 1p81 s LYS 285 Cb 0.00 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1p81 s LYS 285 CO 0.00 0.39 0.04 0.00 -0.36 0.00 0.00 175.35 175.41 1p81 s ALA 286 N -0.60 3.37 -0.09 3.13 0.00 -1.26 -2.11 121.76 124.20 1p81 s ALA 286 Ca 0.42 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1p81 s ALA 286 Cb -0.24 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1p81 s ALA 286 CO 0.29 0.38 -0.23 0.99 0.00 0.00 0.00 175.76 177.18 1p81 s THR 287 N -0.23 2.00 0.35 0.00 2.01 -0.42 -4.20 115.64 115.16 1p81 s THR 287 Ca 0.07 -0.99 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1p81 s THR 287 Cb -0.12 -1.73 -0.09 0.00 0.01 0.00 0.00 72.50 70.57 1p81 s THR 287 CO 0.02 0.55 1.18 -0.36 -0.69 0.00 0.00 174.62 175.31 1p81 s PHE 288 N 0.33 3.23 -0.01 4.92 0.08 -0.55 -0.84 117.98 125.15 1p81 s PHE 288 Ca -0.18 1.57 -0.04 0.00 0.12 0.00 0.00 56.93 58.41 1p81 s PHE 288 Cb -0.18 -3.42 -0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1p81 s PHE 288 CO 0.08 -1.19 0.07 0.54 -0.10 0.00 0.00 175.22 174.63 1p81 s VAL 289 N -1.28 0.06 -0.09 -0.44 0.11 -0.36 -1.36 120.40 117.03 1p81 s VAL 289 Ca 0.51 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1p81 s VAL 289 Cb -0.33 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1p81 s VAL 289 CO 0.42 -0.25 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.60 1p81 s ARG 290 N -0.81 2.66 0.04 1.54 0.52 -0.57 -0.80 118.95 121.53 1p81 s ARG 290 Ca -0.09 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.21 1p81 s ARG 290 Cb -0.05 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 33.31 1p81 s ARG 290 CO 0.00 0.13 0.48 -0.06 0.02 0.00 0.00 175.30 175.87 1p81 s PHE 291 N 0.45 3.74 0.05 -0.53 0.08 -1.26 -0.63 117.98 119.88 1p81 s PHE 291 Ca -0.17 1.10 0.02 0.00 0.12 0.00 0.00 56.93 58.00 1p81 s PHE 291 Cb -0.17 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1p81 s PHE 291 CO 0.07 0.60 -0.08 -1.01 -0.10 0.00 0.00 175.22 174.70 1p81 s HIS 292 N -1.14 0.71 -0.16 0.36 3.76 0.16 -1.43 115.29 117.55 1p81 s HIS 292 Ca 0.27 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1p81 s HIS 292 Cb -0.18 -0.42 0.03 0.00 1.11 0.00 0.00 32.58 33.12 1p81 s HIS 292 CO 0.16 -0.08 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.26 1p81 s TRP 293 N -1.45 2.22 -0.22 1.40 0.52 -0.37 0.48 118.94 121.52 1p81 s TRP 293 Ca -0.09 -1.29 -0.08 0.00 0.02 0.00 0.00 56.10 54.67 1p81 s TRP 293 Cb -0.09 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 1p81 s TRP 293 CO 0.00 -0.68 0.07 0.21 0.02 0.00 0.00 176.95 176.57 1p81 s LYS 294 N 1.47 3.81 -0.11 4.98 2.20 0.29 -1.87 119.74 130.50 1p81 s LYS 294 Ca 0.04 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1p81 s LYS 294 Cb -0.13 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1p81 s LYS 294 CO -0.10 0.02 1.38 -1.25 -0.36 0.00 0.00 175.35 175.03 1p81 s PRO 295 N 1.07 4.23 0.26 4.03 0.04 -1.26 -0.17 135.00 143.21 1p81 s PRO 295 Ca 0.04 1.83 0.25 0.00 0.04 0.00 0.00 61.00 63.17 1p81 s PRO 295 Cb -0.14 -3.79 0.91 0.00 0.04 0.00 0.00 34.50 31.52 1p81 s PRO 295 CO 0.03 -0.71 1.75 -0.07 0.04 0.00 0.00 177.00 178.04 1p81 h LEU 296 N 9.60 0.00 -0.39 -3.56 3.38 -1.57 -1.87 115.31 120.89 1p81 h LEU 296 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1p81 h LEU 296 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1p81 h LEU 296 CO 0.95 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1p81 n ALA 297 N -1.81 2.62 0.00 1.53 0.00 -1.26 -4.96 120.51 116.63 1p81 n ALA 297 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1p81 n ALA 297 Cb 0.33 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1p81 n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p81 n GLY 298 N 1.02 0.02 3.82 0.00 0.00 -0.70 -3.72 105.19 105.63 1p81 n GLY 298 Ca 0.20 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1p81 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p81 s LYS 299 N -2.48 3.93 -0.26 1.61 1.02 -1.26 -4.28 119.74 118.01 1p81 s LYS 299 Ca 0.00 0.35 -0.25 0.00 0.02 0.00 0.00 55.97 56.09 1p81 s LYS 299 Cb 0.00 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.14 1p81 s LYS 299 CO 0.00 0.63 0.75 0.00 -0.92 0.00 0.00 175.35 175.81 1p81 s ALA 300 N -0.85 -1.80 0.11 5.17 0.00 -0.67 -4.80 121.76 118.92 1p81 s ALA 300 Ca 0.23 1.99 0.03 0.00 0.00 0.00 0.00 51.96 54.21 1p81 s ALA 300 Cb -0.16 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1p81 s ALA 300 CO 0.12 -0.33 -0.08 -1.12 0.00 0.00 0.00 175.76 174.34 1p81 s SER 301 N 0.31 1.40 1.03 0.00 0.01 -1.26 -1.60 113.70 113.59 1p81 s SER 301 Ca -0.00 -0.98 -0.05 0.00 1.31 0.00 0.00 55.95 56.23 1p81 s SER 301 Cb -0.05 0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.30 1p81 s SER 301 CO 0.01 -0.39 0.32 0.18 0.41 0.00 0.00 173.24 173.77 1p81 n LEU 302 N -0.02 0.00 -4.54 2.44 4.77 0.71 -4.64 117.00 115.72 1p81 n LEU 302 Ca -0.12 -0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 55.23 1p81 n LEU 302 Cb 0.60 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1p81 n LEU 302 CO 0.30 -1.01 -0.44 0.68 -1.33 0.00 0.00 177.39 175.59 1p81 s VAL 303 N -1.66 3.08 0.18 4.08 -7.23 -1.26 -4.93 120.40 112.66 1p81 s VAL 303 Ca 0.19 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.67 1p81 s VAL 303 Cb -0.01 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.54 1p81 s VAL 303 CO 0.14 -0.01 1.72 -0.25 -0.31 0.00 0.00 175.10 176.39 1p81 h TRP 304 N 3.30 0.13 -0.78 2.82 2.91 -1.98 -1.19 115.95 121.16 1p81 h TRP 304 Ca -0.48 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.53 1p81 h TRP 304 Cb 1.19 0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.81 1p81 h TRP 304 CO 0.63 -0.01 0.34 0.22 -1.03 0.00 0.00 178.44 178.58 1p81 h ASP 305 N 0.21 1.05 -0.07 2.65 -0.00 -1.99 -0.51 116.42 117.76 1p81 h ASP 305 Ca 0.23 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1p81 h ASP 305 Cb 0.30 -0.27 -0.00 0.00 -0.00 0.00 0.00 39.33 39.35 1p81 h ASP 305 CO -0.30 0.91 0.03 -0.08 -0.00 0.00 0.00 179.24 179.79 1p81 h GLU 306 N 1.12 0.11 -0.50 0.28 4.81 -1.88 -1.73 114.58 116.79 1p81 h GLU 306 Ca 0.26 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1p81 h GLU 306 Cb 0.17 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1p81 h GLU 306 CO -0.03 0.24 0.32 0.00 -0.73 0.00 0.00 179.01 178.81 1p81 h ALA 307 N 0.86 0.63 -0.43 2.92 0.00 -0.90 0.65 119.26 123.00 1p81 h ALA 307 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1p81 h ALA 307 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1p81 h ALA 307 CO -0.00 0.05 -0.19 0.37 0.00 0.00 0.00 179.25 179.48 1p81 h GLN 308 N 0.65 0.88 -0.25 0.00 4.15 -1.09 -1.78 115.11 117.67 1p81 h GLN 308 Ca 0.19 -0.38 -0.09 0.00 0.77 0.00 0.00 58.65 59.13 1p81 h GLN 308 Cb -0.05 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1p81 h GLN 308 CO -0.05 1.03 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.41 1p81 h LYS 309 N 0.71 0.47 0.00 1.69 3.64 -1.13 -2.42 116.57 119.53 1p81 h LYS 309 Ca 0.10 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1p81 h LYS 309 Cb 0.76 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1p81 h LYS 309 CO 0.06 0.69 -0.29 1.25 -2.27 0.00 0.00 179.45 178.88 1p81 h LEU 310 N 0.42 0.00 -1.95 5.20 5.85 -0.57 -0.32 115.31 123.94 1p81 h LEU 310 Ca 0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1p81 h LEU 310 Cb 0.66 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1p81 h LEU 310 CO 0.05 0.29 -0.10 0.71 -0.34 0.00 0.00 178.44 179.05 1p81 h THR 311 N 0.00 0.84 0.08 1.05 1.35 -0.80 0.59 112.91 116.02 1p81 h THR 311 Ca -0.00 -0.37 -0.35 0.00 -0.55 0.00 0.00 66.41 65.14 1p81 h THR 311 Cb 0.63 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 1p81 h THR 311 CO 0.04 0.10 -1.99 0.61 -0.25 0.00 0.00 175.52 174.03 1p81 n GLY 312 N -1.09 -0.65 0.10 5.82 0.00 -0.27 -3.51 105.19 105.58 1p81 n GLY 312 Ca -0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1p81 n GLY 312 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p81 h ARG 313 N 0.05 0.12 -1.42 1.61 2.47 -0.92 -3.41 114.38 112.88 1p81 h ARG 313 Ca -0.41 -0.16 -0.24 0.00 -1.26 0.00 0.00 59.98 57.90 1p81 h ARG 313 Cb 2.03 0.05 -0.23 0.00 -1.65 0.00 0.00 29.97 30.17 1p81 h ARG 313 CO 0.07 0.99 -0.60 0.34 0.56 0.00 0.00 179.97 181.33 1p81 s ASP 314 N -6.88 -0.47 0.32 7.04 2.15 0.18 -5.00 116.67 114.01 1p81 s ASP 314 Ca -0.02 -1.69 0.23 0.00 0.43 0.00 0.00 52.55 51.51 1p81 s ASP 314 Cb 0.10 1.26 1.17 0.00 -0.30 0.00 0.00 42.92 45.15 1p81 s ASP 314 CO 0.83 -0.14 1.70 1.55 -0.17 0.00 0.00 175.17 178.94 1p81 h PRO 315 N 6.01 0.00 -0.63 4.34 0.13 -1.60 -1.12 132.00 139.13 1p81 h PRO 315 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1p81 h PRO 315 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1p81 h PRO 315 CO 0.13 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.65 1p81 n ASP 316 N -2.29 5.16 -0.11 1.44 8.00 -1.26 -0.52 116.55 126.97 1p81 n ASP 316 Ca -0.01 -2.62 -0.05 0.00 0.71 0.00 0.00 54.79 52.82 1p81 n ASP 316 Cb 0.09 -0.62 0.02 0.00 -0.02 0.00 0.00 41.12 40.58 1p81 n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1p81 h PHE 317 N 4.11 -0.07 -0.38 1.24 3.04 -1.54 0.03 116.94 123.37 1p81 h PHE 317 Ca 0.00 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.82 1p81 h PHE 317 Cb 1.65 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 40.25 1p81 h PHE 317 CO 0.90 -0.10 -0.40 0.45 -2.02 0.00 0.00 178.31 177.14 1p81 h HIS 318 N 0.07 1.13 -0.45 0.41 3.86 -1.87 -0.37 115.15 117.93 1p81 h HIS 318 Ca 0.18 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1p81 h HIS 318 Cb 0.26 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1p81 h HIS 318 CO -0.28 1.17 0.29 -0.09 0.86 0.00 0.00 177.93 179.89 1p81 h ARG 319 N 0.76 0.60 -0.23 2.45 2.43 -1.87 -1.54 114.38 116.98 1p81 h ARG 319 Ca 0.06 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1p81 h ARG 319 Cb 0.99 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1p81 h ARG 319 CO 0.10 0.41 0.10 -0.09 -1.51 0.00 0.00 179.97 178.98 1p81 h ARG 320 N 0.61 0.34 -0.74 0.20 2.43 -0.94 -1.95 114.38 114.33 1p81 h ARG 320 Ca 0.17 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1p81 h ARG 320 Cb -0.05 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1p81 h ARG 320 CO -0.03 0.37 0.42 1.49 -1.51 0.00 0.00 179.97 180.71 1p81 h GLU 321 N 0.24 1.03 0.02 0.20 4.57 -0.92 0.98 114.58 120.69 1p81 h GLU 321 Ca 0.08 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1p81 h GLU 321 Cb 0.15 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1p81 h GLU 321 CO -0.01 0.75 -0.01 1.25 -1.18 0.00 0.00 179.01 179.81 1p81 h LEU 322 N 1.02 -0.02 -0.34 1.64 5.85 -1.23 0.41 115.31 122.64 1p81 h LEU 322 Ca 0.26 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1p81 h LEU 322 Cb 0.01 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1p81 h LEU 322 CO -0.04 0.22 0.21 -0.25 -0.34 0.00 0.00 178.44 178.23 1p81 h TRP 323 N -0.27 0.39 -0.01 1.25 2.91 -1.07 -2.39 115.95 116.76 1p81 h TRP 323 Ca -0.00 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.90 1p81 h TRP 323 Cb 0.25 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 1p81 h TRP 323 CO 0.01 0.23 -0.62 0.93 -1.03 0.00 0.00 178.44 177.96 1p81 h GLU 324 N 0.42 0.02 -0.45 2.65 5.08 -0.75 -1.70 114.58 119.86 1p81 h GLU 324 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1p81 h GLU 324 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1p81 h GLU 324 CO -0.05 0.63 0.23 0.00 -1.00 0.00 0.00 179.01 178.82 1p81 h ALA 325 N 1.36 0.57 -0.54 3.43 0.00 -0.71 -1.08 119.26 122.30 1p81 h ALA 325 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1p81 h ALA 325 Cb 1.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1p81 h ALA 325 CO 0.08 0.12 -0.02 0.82 0.00 0.00 0.00 179.25 180.25 1p81 h ILE 326 N 0.58 1.27 0.00 0.00 2.04 -1.31 0.70 117.51 120.78 1p81 h ILE 326 Ca 0.15 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1p81 h ILE 326 Cb 0.09 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1p81 h ILE 326 CO -0.02 0.40 -0.14 -0.33 0.00 0.00 0.00 178.15 178.06 1p81 h GLU 327 N 0.83 0.00 -0.00 2.37 5.08 -1.07 -2.25 114.58 119.54 1p81 h GLU 327 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1p81 h GLU 327 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1p81 h GLU 327 CO 0.03 0.14 -0.29 0.00 -1.00 0.00 0.00 179.01 177.90 1p81 n ALA 328 N -2.37 3.08 -0.73 3.43 0.00 -0.43 -2.12 120.51 121.37 1p81 n ALA 328 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1p81 n ALA 328 Cb 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1p81 n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p81 n GLY 329 N 1.43 0.61 2.53 0.00 0.00 -0.84 -4.61 105.19 104.31 1p81 n GLY 329 Ca 0.09 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1p81 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 330 N 0.48 7.23 -4.64 1.61 10.43 0.18 -5.00 116.55 126.85 1p81 n ASP 330 Ca 0.00 -3.27 -0.48 0.00 2.57 0.00 0.00 54.79 53.61 1p81 n ASP 330 Cb 0.00 -1.26 -0.05 0.00 1.84 0.00 0.00 41.12 41.65 1p81 n ASP 330 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1p81 n PHE 331 N 1.01 2.01 -1.67 1.24 0.99 -1.26 -4.44 117.46 115.34 1p81 n PHE 331 Ca 0.54 0.39 -0.43 0.00 -0.00 0.00 0.00 57.45 57.96 1p81 n PHE 331 Cb 0.39 -2.47 -0.03 0.00 -1.00 0.00 0.00 39.48 36.36 1p81 n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1p81 n PRO 332 N 3.23 2.79 -4.81 -1.08 -0.02 -1.24 -4.79 135.00 129.07 1p81 n PRO 332 Ca 0.18 1.02 -0.26 0.00 -2.02 0.00 0.00 63.50 62.42 1p81 n PRO 332 Cb 0.25 -2.95 -0.16 0.00 -0.02 0.00 0.00 33.50 30.62 1p81 n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p81 s GLU 333 N 3.79 1.82 0.05 -0.52 2.02 -1.26 -0.69 118.70 123.90 1p81 s GLU 333 Ca 0.87 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 55.31 1p81 s GLU 333 Cb -0.47 -1.55 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1p81 s GLU 333 CO 0.41 0.21 -0.12 0.71 0.02 0.00 0.00 175.26 176.49 1p81 s TYR 334 N 0.13 1.08 -0.22 1.61 2.02 0.15 -1.61 117.35 120.51 1p81 s TYR 334 Ca -0.06 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 1p81 s TYR 334 Cb -0.12 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 1p81 s TYR 334 CO 0.03 0.02 0.11 -2.00 -1.57 0.00 0.00 175.55 172.14 1p81 s GLU 335 N -1.35 3.96 0.13 -0.62 2.12 0.76 -0.70 118.70 123.00 1p81 s GLU 335 Ca -0.02 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1p81 s GLU 335 Cb -0.09 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 30.83 1p81 s GLU 335 CO 0.01 0.08 1.12 -1.17 -0.54 0.00 0.00 175.26 174.76 1p81 s LEU 336 N 0.96 4.44 0.03 2.70 2.96 0.30 -0.55 118.68 129.52 1p81 s LEU 336 Ca 0.06 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.03 1p81 s LEU 336 Cb -0.14 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1p81 s LEU 336 CO 0.03 -0.30 -0.10 -0.83 -1.32 0.00 0.00 176.35 173.84 1p81 s GLY 337 N 0.33 0.56 -0.08 7.98 0.00 0.18 -0.67 107.32 115.62 1p81 s GLY 337 Ca 0.52 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.60 1p81 s GLY 337 CO 0.33 -0.68 -0.19 -1.36 0.00 0.00 0.00 173.10 171.19 1p81 s PHE 338 N -0.91 2.61 -0.27 1.90 2.99 -0.05 -0.67 117.98 123.59 1p81 s PHE 338 Ca -0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 56.93 56.20 1p81 s PHE 338 Cb -0.07 -1.68 -0.05 0.00 0.00 0.00 0.00 43.02 41.22 1p81 s PHE 338 CO 0.01 -0.13 0.20 -0.65 -0.00 0.00 0.00 175.22 174.64 1p81 s GLN 339 N -0.13 3.99 -0.15 0.44 -0.21 0.20 -0.27 119.66 123.52 1p81 s GLN 339 Ca -0.03 -0.28 -0.02 0.00 0.02 0.00 0.00 55.36 55.05 1p81 s GLN 339 Cb -0.14 -3.63 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 1p81 s GLN 339 CO 0.04 -0.12 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.49 1p81 s LEU 340 N 1.60 2.90 -0.09 2.90 1.43 -1.26 -1.51 118.68 124.64 1p81 s LEU 340 Ca 0.08 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1p81 s LEU 340 Cb -0.15 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1p81 s LEU 340 CO 0.09 0.13 -0.09 -0.63 0.23 0.00 0.00 176.35 176.08 1p81 s ILE 341 N 0.57 1.02 0.69 -0.59 1.09 -0.46 -4.97 121.20 118.55 1p81 s ILE 341 Ca -0.06 -0.34 -0.17 0.00 -1.10 0.00 0.00 60.65 58.99 1p81 s ILE 341 Cb -0.15 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.25 1p81 s ILE 341 CO 0.03 0.35 1.10 -2.65 -0.10 0.00 0.00 174.94 173.67 1p81 n PRO 342 N 4.47 0.72 -0.32 2.79 -0.01 -1.26 -1.47 135.00 139.91 1p81 n PRO 342 Ca -0.17 0.30 0.01 0.00 -0.01 0.00 0.00 63.50 63.64 1p81 n PRO 342 Cb 0.51 -2.34 0.19 0.00 -0.01 0.00 0.00 33.50 31.85 1p81 n PRO 342 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1p81 h GLU 343 N 0.03 1.12 0.00 -0.52 4.81 -1.96 -1.31 114.58 116.75 1p81 h GLU 343 Ca -0.49 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1p81 h GLU 343 Cb 1.34 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1p81 h GLU 343 CO 0.49 0.74 0.00 0.39 -0.73 0.00 0.00 179.01 179.90 1p81 n GLU 344 N -4.45 0.13 -0.42 1.92 4.71 -1.26 -2.21 120.64 119.06 1p81 n GLU 344 Ca 0.13 0.46 0.10 0.00 -0.01 0.00 0.00 57.16 57.84 1p81 n GLU 344 Cb 0.11 -1.80 0.30 0.00 -1.01 0.00 0.00 31.44 29.05 1p81 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1p81 n ASP 345 N -2.05 3.85 -0.26 1.62 8.00 -0.49 -4.65 116.55 122.56 1p81 n ASP 345 Ca 0.01 -2.16 0.06 0.00 0.71 0.00 0.00 54.79 53.41 1p81 n ASP 345 Cb 0.14 -0.48 0.17 0.00 -0.02 0.00 0.00 41.12 40.93 1p81 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1p81 h GLU 346 N 3.79 0.11 -0.56 -1.24 4.81 -1.55 -1.53 114.58 118.41 1p81 h GLU 346 Ca 0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1p81 h GLU 346 Cb 1.06 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.35 1p81 h GLU 346 CO 0.08 0.07 0.12 1.19 -0.73 0.00 0.00 179.01 179.75 1p81 n PHE 347 N -5.33 1.90 0.98 0.92 3.01 -1.26 -4.55 117.46 113.12 1p81 n PHE 347 Ca 0.14 -1.06 0.11 0.00 1.01 0.00 0.00 57.45 57.65 1p81 n PHE 347 Cb 0.49 -0.55 0.32 0.00 -0.01 0.00 0.00 39.48 39.74 1p81 n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1p81 n LYS 348 N -0.16 1.95 -3.63 -1.08 5.02 -0.58 -4.91 118.16 114.77 1p81 n LYS 348 Ca 0.33 -1.42 -0.22 0.00 -2.02 0.00 0.00 58.31 54.98 1p81 n LYS 348 Cb 1.20 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 1p81 n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p81 s PHE 349 N -1.72 2.55 -1.12 2.13 0.40 -1.26 -5.01 117.98 113.95 1p81 s PHE 349 Ca 0.34 -0.54 0.13 0.00 -0.60 0.00 0.00 56.93 56.25 1p81 s PHE 349 Cb 0.19 -2.13 0.54 0.00 0.51 0.00 0.00 43.02 42.13 1p81 s PHE 349 CO 0.28 -0.16 1.40 -0.40 0.70 0.00 0.00 175.22 177.03 1p81 n ASP 350 N -1.56 3.77 -4.35 1.36 5.68 -1.26 -4.80 116.55 115.38 1p81 n ASP 350 Ca 0.03 -2.39 -0.18 0.00 -0.50 0.00 0.00 54.79 51.75 1p81 n ASP 350 Cb 0.62 -0.52 -0.10 0.00 -1.14 0.00 0.00 41.12 39.98 1p81 n ASP 350 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1p81 s PHE 351 N -1.85 1.66 -0.07 2.11 -0.12 -1.26 -5.04 117.98 113.40 1p81 s PHE 351 Ca 0.38 -0.80 -0.24 0.00 -0.05 0.00 0.00 56.93 56.22 1p81 s PHE 351 Cb 0.25 -0.92 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 1p81 s PHE 351 CO 0.17 0.12 0.73 0.34 -0.05 0.00 0.00 175.22 176.52 1p81 s ASP 352 N -3.33 7.00 0.50 1.98 3.68 -1.26 -4.93 116.67 120.31 1p81 s ASP 352 Ca 0.26 1.21 0.22 0.00 2.13 0.00 0.00 52.55 56.38 1p81 s ASP 352 Cb 0.04 -2.42 1.32 0.00 -1.45 0.00 0.00 42.92 40.41 1p81 s ASP 352 CO 0.08 -0.15 2.07 -0.07 0.13 0.00 0.00 175.17 177.23 1p81 h LEU 353 N 6.94 0.00 -0.43 -1.34 3.38 -1.97 -1.87 115.31 120.02 1p81 h LEU 353 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1p81 h LEU 353 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1p81 h LEU 353 CO 0.76 0.13 0.00 0.18 0.09 0.00 0.00 178.44 179.60 1p81 n LEU 354 N -3.96 0.67 -4.56 1.67 4.77 -1.26 -4.38 117.00 109.96 1p81 n LEU 354 Ca -0.02 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.31 1p81 n LEU 354 Cb 0.22 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1p81 n LEU 354 CO 0.32 0.11 0.44 -0.62 -1.33 0.00 0.00 177.39 176.32 1p81 s ASP 355 N -1.99 6.42 0.00 -1.43 3.68 -0.70 -4.34 116.67 118.31 1p81 s ASP 355 Ca 0.43 0.05 0.23 0.00 2.13 0.00 0.00 52.55 55.40 1p81 s ASP 355 Cb 0.21 -2.34 1.29 0.00 -1.45 0.00 0.00 42.92 40.63 1p81 s ASP 355 CO 0.35 -0.70 1.77 -0.81 0.13 0.00 0.00 175.17 175.91 1p81 n PRO 356 N 6.25 0.54 -0.02 4.34 -0.04 -1.26 -2.03 135.00 142.78 1p81 n PRO 356 Ca -0.00 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1p81 n PRO 356 Cb 0.48 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.84 1p81 n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1p81 n THR 357 N -1.14 0.04 -4.58 0.52 -2.24 -1.26 -0.66 114.28 104.96 1p81 n THR 357 Ca 0.14 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1p81 n THR 357 Cb 0.13 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 1p81 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p81 s LYS 358 N -1.96 3.28 0.27 -0.78 -0.14 -0.86 -4.86 119.74 114.69 1p81 s LYS 358 Ca 0.35 -0.57 0.05 0.00 -1.36 0.00 0.00 55.97 54.44 1p81 s LYS 358 Cb 0.20 -2.73 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1p81 s LYS 358 CO 0.32 0.38 0.40 -0.48 -0.76 0.00 0.00 175.35 175.21 1p81 s LEU 359 N -0.05 4.21 -0.37 3.17 0.05 -1.26 -4.82 118.68 119.61 1p81 s LEU 359 Ca -0.00 -0.01 -0.09 0.00 0.05 0.00 0.00 54.13 54.08 1p81 s LEU 359 Cb -0.13 -2.83 0.03 0.00 -2.05 0.00 0.00 46.19 41.21 1p81 s LEU 359 CO 0.03 -0.19 0.18 -0.63 -0.55 0.00 0.00 176.35 175.19 1p81 s ILE 360 N -2.04 4.31 0.28 1.48 1.01 -1.26 -5.06 121.20 119.92 1p81 s ILE 360 Ca 0.38 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 1p81 s ILE 360 Cb -0.09 -3.43 -0.12 0.00 0.01 0.00 0.00 42.46 38.83 1p81 s ILE 360 CO 0.30 -0.23 1.57 -2.65 0.00 0.00 0.00 174.94 173.92 1p81 n PRO 361 N 4.94 2.57 0.28 2.79 -0.02 -1.26 -4.84 135.00 139.46 1p81 n PRO 361 Ca -0.12 0.92 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 1p81 n PRO 361 Cb 0.45 -2.68 0.77 0.00 -0.02 0.00 0.00 33.50 32.03 1p81 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p81 h GLU 362 N 4.80 0.00 -0.05 -0.52 5.08 -1.98 -0.86 114.58 121.06 1p81 h GLU 362 Ca -0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1p81 h GLU 362 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1p81 h GLU 362 CO 0.80 0.08 -0.17 0.93 -1.00 0.00 0.00 179.01 179.65 1p81 h GLU 363 N 0.00 0.07 0.12 2.33 4.39 -1.96 -2.99 114.58 116.54 1p81 h GLU 363 Ca -0.00 -0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.32 1p81 h GLU 363 Cb 0.37 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1p81 h GLU 363 CO 0.01 0.24 -1.96 1.28 -1.16 0.00 0.00 179.01 177.42 1p81 n LEU 364 N -4.30 2.61 -3.66 1.33 4.77 -0.43 -4.83 117.00 112.49 1p81 n LEU 364 Ca -0.02 0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 1p81 n LEU 364 Cb 0.25 -1.12 -0.16 0.00 -2.33 0.00 0.00 43.42 40.07 1p81 n LEU 364 CO 0.37 0.83 -0.34 -0.69 -1.33 0.00 0.00 177.39 176.23 1p81 s VAL 365 N -2.55 0.29 0.67 4.08 1.01 -0.59 -5.06 120.40 118.25 1p81 s VAL 365 Ca -0.22 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 1p81 s VAL 365 Cb 0.07 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1p81 s VAL 365 CO 0.76 -0.44 1.15 -2.16 0.00 0.00 0.00 175.10 174.41 1p81 s PRO 366 N 1.94 2.61 -0.25 2.72 0.04 -1.14 -4.12 135.00 136.80 1p81 s PRO 366 Ca 0.04 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 1p81 s PRO 366 Cb -0.17 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1p81 s PRO 366 CO -0.19 -1.43 0.82 0.08 0.04 0.00 0.00 177.00 176.32 1p81 s VAL 367 N -2.14 4.84 -0.11 -0.36 1.01 -1.26 -4.44 120.40 117.93 1p81 s VAL 367 Ca 0.70 1.50 -0.26 0.00 0.00 0.00 0.00 61.98 63.92 1p81 s VAL 367 Cb -0.24 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1p81 s VAL 367 CO 0.41 -0.09 0.83 -1.58 0.00 0.00 0.00 175.10 174.67 1p81 s GLN 368 N 2.85 4.39 -0.15 2.72 0.74 0.62 -4.82 119.66 126.01 1p81 s GLN 368 Ca 0.34 1.07 -0.29 0.00 0.05 0.00 0.00 55.36 56.53 1p81 s GLN 368 Cb -0.15 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 1p81 s GLN 368 CO 0.08 -0.18 1.33 1.03 -0.55 0.00 0.00 175.29 177.00 1p81 s ARG 369 N 1.59 4.21 -0.04 1.67 0.52 -1.26 -0.87 118.95 124.77 1p81 s ARG 369 Ca 0.41 1.73 0.04 0.00 -0.52 0.00 0.00 55.73 57.39 1p81 s ARG 369 Cb -0.18 -3.81 -0.05 0.00 0.52 0.00 0.00 34.95 31.43 1p81 s ARG 369 CO 0.17 -0.75 0.02 0.28 0.02 0.00 0.00 175.30 175.04 1p81 n VAL 370 N 5.43 0.26 -3.96 3.52 0.31 0.16 -4.94 118.33 119.11 1p81 n VAL 370 Ca 0.14 -0.17 0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1p81 n VAL 370 Cb 0.45 -0.76 0.01 0.00 -0.91 0.00 0.00 33.84 32.63 1p81 n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p81 n GLY 371 N 2.69 0.35 3.16 2.92 0.00 -1.18 -1.26 105.19 111.88 1p81 n GLY 371 Ca -0.06 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 1p81 n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p81 s LYS 372 N -2.02 1.33 -0.08 1.61 2.20 -0.62 -0.54 119.74 121.62 1p81 s LYS 372 Ca 0.27 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 1p81 s LYS 372 Cb -0.01 -1.31 -0.01 0.00 -1.51 0.00 0.00 37.83 34.99 1p81 s LYS 372 CO 0.01 0.35 -0.24 1.41 -0.36 0.00 0.00 175.35 176.53 1p81 s MET 373 N -0.53 2.80 -0.12 4.03 -2.45 0.12 -1.49 119.30 121.65 1p81 s MET 373 Ca 0.06 -0.88 0.02 0.00 -1.25 0.00 0.00 55.69 53.64 1p81 s MET 373 Cb -0.07 -2.25 0.01 0.00 1.25 0.00 0.00 34.83 33.78 1p81 s MET 373 CO -0.00 0.29 -0.17 0.08 1.05 0.00 0.00 175.02 176.28 1p81 s VAL 374 N 0.06 1.65 -0.37 10.11 1.01 -0.46 -0.67 120.40 131.72 1p81 s VAL 374 Ca -0.10 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 1p81 s VAL 374 Cb -0.16 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1p81 s VAL 374 CO 0.06 0.47 0.36 -0.76 0.00 0.00 0.00 175.10 175.23 1p81 s LEU 375 N 1.04 4.63 0.00 3.92 1.02 0.13 -1.37 118.68 128.05 1p81 s LEU 375 Ca -0.05 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.67 1p81 s LEU 375 Cb -0.15 -2.31 0.00 0.00 0.02 0.00 0.00 46.19 43.75 1p81 s LEU 375 CO -0.03 -0.40 0.77 -0.46 0.02 0.00 0.00 176.35 176.25 1p81 n ASN 376 N 5.38 1.25 -3.71 2.29 6.94 -0.41 -3.66 115.26 123.34 1p81 n ASN 376 Ca -0.09 -1.59 -0.11 0.00 -0.02 0.00 0.00 54.58 52.77 1p81 n ASN 376 Cb 0.49 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.80 1p81 n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1p81 s ARG 377 N -0.59 0.43 0.58 -3.83 3.52 -0.87 -4.98 118.95 113.20 1p81 s ARG 377 Ca 0.00 0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 56.21 1p81 s ARG 377 Cb 0.00 0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.41 1p81 s ARG 377 CO 0.00 -0.13 0.98 -0.80 -0.81 0.00 0.00 175.30 174.55 1p81 s ASN 378 N 1.01 6.31 0.95 -2.12 0.01 -1.26 -1.12 114.94 118.72 1p81 s ASN 378 Ca -0.06 1.37 -0.12 0.00 -0.71 0.00 0.00 52.86 53.34 1p81 s ASN 378 Cb -0.07 -2.44 0.16 0.00 0.41 0.00 0.00 41.25 39.31 1p81 s ASN 378 CO -0.08 -0.77 1.09 -2.16 -1.51 0.00 0.00 177.10 173.66 1p81 s PRO 379 N -4.90 0.81 -0.11 -0.60 0.04 -1.26 -3.73 135.00 125.25 1p81 s PRO 379 Ca 0.55 0.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 1p81 s PRO 379 Cb -0.11 -1.76 -0.27 0.00 0.04 0.00 0.00 34.50 32.40 1p81 s PRO 379 CO 0.48 -2.54 0.54 -0.44 0.04 0.00 0.00 177.00 175.09 1p81 h ASP 380 N -1.76 0.37 -3.28 6.66 3.45 -1.95 -1.40 116.42 118.50 1p81 h ASP 380 Ca -0.52 -0.85 -0.51 0.00 0.43 0.00 0.00 57.03 55.59 1p81 h ASP 380 Cb 1.30 -0.12 -0.38 0.00 -0.56 0.00 0.00 39.33 39.57 1p81 h ASP 380 CO 0.54 1.62 -0.78 0.21 -1.57 0.00 0.00 179.24 179.26 1p81 s ASN 381 N -7.02 2.45 0.15 6.45 3.84 -1.26 -4.65 114.94 114.90 1p81 s ASN 381 Ca -0.20 -0.51 -0.19 0.00 0.21 0.00 0.00 52.86 52.17 1p81 s ASN 381 Cb 0.04 -0.70 0.05 0.00 -0.55 0.00 0.00 41.25 40.10 1p81 s ASN 381 CO 0.76 -0.21 1.66 0.15 -2.79 0.00 0.00 177.10 176.67 1p81 h PHE 382 N 8.21 -0.34 0.10 0.43 3.57 -1.98 -2.35 116.94 124.58 1p81 h PHE 382 Ca -0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1p81 h PHE 382 Cb 1.12 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1p81 h PHE 382 CO 0.42 -0.21 -0.08 0.35 -2.23 0.00 0.00 178.31 176.55 1p81 h PHE 383 N -0.09 -0.21 -0.62 0.41 3.04 -1.96 0.24 116.94 117.75 1p81 h PHE 383 Ca 0.16 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 1p81 h PHE 383 Cb 0.33 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1p81 h PHE 383 CO -0.34 -0.13 0.21 0.00 -2.02 0.00 0.00 178.31 176.02 1p81 h ALA 384 N 0.70 1.21 0.00 2.41 0.00 -1.94 -2.31 119.26 119.33 1p81 h ALA 384 Ca -0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 54.91 54.31 1p81 h ALA 384 Cb 0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1p81 h ALA 384 CO -0.01 0.56 -2.43 0.39 0.00 0.00 0.00 179.25 177.76 1p81 n GLU 385 N -4.29 0.57 -0.06 0.00 1.02 -0.90 -4.33 120.64 112.65 1p81 n GLU 385 Ca 0.05 0.20 -0.05 0.00 -0.02 0.00 0.00 57.16 57.34 1p81 n GLU 385 Cb 0.20 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1p81 n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1p81 h ASN 386 N -0.55 0.00 -0.85 1.62 -0.73 -0.72 -3.21 115.58 111.13 1p81 h ASN 386 Ca -0.61 -0.21 0.07 0.00 1.87 0.00 0.00 56.30 57.42 1p81 h ASN 386 Cb 1.69 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 40.21 1p81 h ASN 386 CO -0.27 0.70 0.52 -0.08 -0.37 0.00 0.00 177.43 177.93 1p81 h GLU 387 N -1.00 0.91 -0.00 6.67 4.57 -1.02 -1.73 114.58 122.98 1p81 h GLU 387 Ca -0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1p81 h GLU 387 Cb 0.36 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1p81 h GLU 387 CO -0.01 0.60 -0.11 1.04 -1.18 0.00 0.00 179.01 179.35 1p81 n GLN 388 N -4.64 0.47 -1.99 1.92 6.02 -0.89 -4.90 117.38 113.36 1p81 n GLN 388 Ca 0.12 -0.13 -0.39 0.00 -0.01 0.00 0.00 57.00 56.59 1p81 n GLN 388 Cb 0.19 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1p81 n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p81 s ALA 389 N -2.62 3.18 -0.18 -1.58 0.00 -0.65 -4.87 121.76 115.03 1p81 s ALA 389 Ca 0.25 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1p81 s ALA 389 Cb 0.20 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.85 1p81 s ALA 389 CO 0.50 -0.94 -0.07 0.00 0.00 0.00 0.00 175.76 175.25 1p81 s ALA 390 N -1.28 1.71 0.04 0.00 0.00 -1.26 -5.04 121.76 115.92 1p81 s ALA 390 Ca 0.60 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1p81 s ALA 390 Cb -0.39 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1p81 s ALA 390 CO 0.49 -0.83 0.03 -0.06 0.00 0.00 0.00 175.76 175.39 1p81 s PHE 391 N 1.53 3.13 -0.19 0.00 0.08 -1.26 -5.01 117.98 116.26 1p81 s PHE 391 Ca -0.01 0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 1p81 s PHE 391 Cb -0.16 -1.64 0.06 0.00 -0.57 0.00 0.00 43.02 40.71 1p81 s PHE 391 CO -0.08 0.50 0.47 -1.58 -0.10 0.00 0.00 175.22 174.43 1p81 s HIS 392 N -1.22 -0.67 0.38 0.36 5.65 -1.26 -4.96 115.29 113.56 1p81 s HIS 392 Ca 0.24 1.43 0.33 0.00 0.25 0.00 0.00 55.06 57.31 1p81 s HIS 392 Cb -0.12 0.32 1.65 0.00 -1.18 0.00 0.00 32.58 33.24 1p81 s HIS 392 CO 0.15 -0.36 2.11 -1.00 -0.65 0.00 0.00 174.74 174.99 1p81 h PRO 393 N 6.84 0.00 0.00 2.88 0.13 -1.91 -0.65 132.00 139.29 1p81 h PRO 393 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1p81 h PRO 393 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1p81 h PRO 393 CO 0.26 0.06 0.00 0.78 -0.23 0.00 0.00 178.00 178.87 1p81 h GLY 394 N 1.03 0.00 -7.36 1.56 0.00 -1.89 -3.40 103.07 93.01 1p81 h GLY 394 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1p81 h GLY 394 CO 0.01 0.00 1.39 0.30 0.00 0.00 0.00 176.54 178.24 1p81 s HIS 395 N -3.69 2.31 0.48 5.60 3.76 -0.25 -4.93 115.29 118.56 1p81 s HIS 395 Ca 0.01 -0.43 0.05 0.00 -0.15 0.00 0.00 55.06 54.54 1p81 s HIS 395 Cb 0.09 -4.43 -0.01 0.00 1.11 0.00 0.00 32.58 29.34 1p81 s HIS 395 CO 0.50 -1.74 0.22 0.96 -0.85 0.00 0.00 174.74 173.82 1p81 s ILE 396 N 7.10 1.84 0.20 0.60 -4.36 -1.26 -1.27 121.20 124.05 1p81 s ILE 396 Ca 0.58 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.31 1p81 s ILE 396 Cb -0.01 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 1p81 s ILE 396 CO 0.00 0.00 -0.03 0.68 0.24 0.00 0.00 174.94 175.83 1p81 s VAL 397 N -2.72 1.02 0.19 8.37 -7.23 -1.26 -4.82 120.40 113.95 1p81 s VAL 397 Ca 0.31 -2.03 -0.33 0.00 -1.81 0.00 0.00 61.98 58.12 1p81 s VAL 397 Cb 0.01 -2.17 -0.14 0.00 0.56 0.00 0.00 36.38 34.64 1p81 s VAL 397 CO 0.18 -0.47 1.36 -2.65 -0.31 0.00 0.00 175.10 173.21 1p81 n PRO 398 N -0.33 1.74 0.00 4.82 -0.02 -1.26 -1.68 135.00 138.27 1p81 n PRO 398 Ca -0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1p81 n PRO 398 Cb 0.63 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1p81 n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p81 n GLY 399 N 2.35 1.66 3.26 -1.23 0.00 -1.26 -3.52 105.19 106.46 1p81 n GLY 399 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1p81 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p81 s LEU 400 N 0.00 2.36 0.20 0.99 1.43 -0.68 -1.14 118.68 121.84 1p81 s LEU 400 Ca 0.00 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 1p81 s LEU 400 Cb 0.00 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.54 1p81 s LEU 400 CO 0.00 -0.05 0.53 -0.62 0.23 0.00 0.00 176.35 176.44 1p81 s ASP 401 N -2.21 -0.25 0.81 2.29 3.68 -0.12 -4.74 116.67 116.12 1p81 s ASP 401 Ca 0.08 -0.50 -0.07 0.00 2.13 0.00 0.00 52.55 54.19 1p81 s ASP 401 Cb -0.07 0.58 0.15 0.00 -1.45 0.00 0.00 42.92 42.13 1p81 s ASP 401 CO 0.04 -1.07 1.12 -0.36 0.13 0.00 0.00 175.17 175.03 1p81 s PHE 402 N -3.88 1.70 0.42 -5.34 2.99 -1.26 -1.09 117.98 111.51 1p81 s PHE 402 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 56.93 57.07 1p81 s PHE 402 Cb -0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 43.02 39.55 1p81 s PHE 402 CO -0.02 -2.04 0.13 0.95 -0.00 0.00 0.00 175.22 174.24 1p81 s THR 403 N -3.43 0.59 -2.00 0.64 -4.23 -1.26 -4.39 115.64 101.55 1p81 s THR 403 Ca 0.69 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.38 1p81 s THR 403 Cb -0.05 -2.32 0.52 0.00 1.34 0.00 0.00 72.50 71.99 1p81 s THR 403 CO 0.48 0.00 1.67 0.59 -0.54 0.00 0.00 174.62 176.82 1p81 n ASN 404 N -1.36 0.00 -4.73 3.99 3.02 -1.26 -4.68 115.26 110.24 1p81 n ASN 404 Ca -0.07 -1.34 -0.64 0.00 -0.03 0.00 0.00 54.58 52.51 1p81 n ASN 404 Cb 0.65 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.73 1p81 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p81 n ASP 405 N -0.80 1.68 0.16 6.41 -0.08 -1.26 -4.78 116.55 117.87 1p81 n ASP 405 Ca 0.14 1.14 0.13 0.00 -1.51 0.00 0.00 54.79 54.69 1p81 n ASP 405 Cb 0.06 -0.98 0.49 0.00 2.34 0.00 0.00 41.12 43.03 1p81 n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1p81 h PRO 406 N 5.93 0.00 0.09 -0.67 0.13 -1.76 -0.07 132.00 135.65 1p81 h PRO 406 Ca -0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 1p81 h PRO 406 Cb 1.35 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.49 1p81 h PRO 406 CO 0.97 0.00 -0.83 1.25 -0.23 0.00 0.00 178.00 179.17 1p81 h LEU 407 N 0.00 0.31 -0.70 1.56 5.85 -1.81 -2.57 115.31 117.96 1p81 h LEU 407 Ca 0.00 -0.90 -0.07 0.00 0.84 0.00 0.00 57.88 57.75 1p81 h LEU 407 Cb 0.49 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1p81 h LEU 407 CO 0.00 1.37 0.18 0.25 -0.34 0.00 0.00 178.44 179.90 1p81 h LEU 408 N -0.53 1.05 -0.64 2.25 5.85 -1.82 -1.73 115.31 119.75 1p81 h LEU 408 Ca -0.17 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.39 1p81 h LEU 408 Cb 1.51 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1p81 h LEU 408 CO 0.07 1.01 0.32 1.56 -0.34 0.00 0.00 178.44 181.06 1p81 h GLN 409 N 1.05 0.56 -0.03 1.25 1.08 -1.17 -2.65 115.11 115.21 1p81 h GLN 409 Ca 0.22 -0.03 -0.25 0.00 -1.45 0.00 0.00 58.65 57.14 1p81 h GLN 409 Cb 0.36 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1p81 h GLN 409 CO 0.00 0.37 -0.97 0.78 -0.95 0.00 0.00 178.83 178.06 1p81 h GLY 410 N 0.58 0.72 -0.16 3.46 0.00 -1.55 -3.11 103.07 103.01 1p81 h GLY 410 Ca 0.30 -1.21 0.25 0.00 0.00 0.00 0.00 47.33 46.68 1p81 h GLY 410 CO -0.22 1.07 0.61 3.21 0.00 0.00 0.00 176.54 181.21 1p81 h ARG 411 N 0.38 0.52 -0.82 4.80 3.08 -1.01 -1.79 114.38 119.55 1p81 h ARG 411 Ca -0.10 -0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.10 1p81 h ARG 411 Cb 1.61 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.49 1p81 h ARG 411 CO 0.19 0.34 0.55 -0.07 -1.07 0.00 0.00 179.97 179.91 1p81 h LEU 412 N 0.54 0.32 0.09 3.04 3.38 -1.40 -1.97 115.31 119.30 1p81 h LEU 412 Ca 0.64 0.03 -0.26 0.00 0.09 0.00 0.00 57.88 58.38 1p81 h LEU 412 Cb 1.30 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 42.04 1p81 h LEU 412 CO -0.44 0.14 -1.07 0.15 0.09 0.00 0.00 178.44 177.31 1p81 h PHE 413 N 0.33 0.91 -0.36 1.13 3.57 -1.48 -3.40 116.94 117.64 1p81 h PHE 413 Ca 0.41 -0.56 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 1p81 h PHE 413 Cb 1.10 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1p81 h PHE 413 CO -0.00 1.40 -0.02 1.03 -2.23 0.00 0.00 178.31 178.48 1p81 h SER 414 N 0.16 0.65 1.09 0.41 0.87 -1.34 -2.89 113.55 112.49 1p81 h SER 414 Ca -0.16 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1p81 h SER 414 Cb 1.76 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1p81 h SER 414 CO 0.21 0.82 0.00 1.88 -0.53 0.00 0.00 176.83 179.20 1p81 h TYR 415 N 0.46 0.00 0.11 2.24 0.99 -1.73 -0.76 116.97 118.28 1p81 h TYR 415 Ca 0.10 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.57 1p81 h TYR 415 Cb 0.50 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.23 1p81 h TYR 415 CO 0.04 0.00 -1.30 1.15 -0.00 0.00 0.00 178.16 178.05 1p81 h THR 416 N 0.00 1.09 -0.26 -2.88 2.02 -1.78 -3.38 112.91 107.72 1p81 h THR 416 Ca 0.00 -2.40 0.04 0.00 0.77 0.00 0.00 66.41 64.82 1p81 h THR 416 Cb 0.55 2.76 -0.04 0.00 -1.74 0.00 0.00 68.15 69.68 1p81 h THR 416 CO 0.00 0.68 0.02 -0.78 0.37 0.00 0.00 175.52 175.81 1p81 h ASP 417 N -0.36 -0.06 0.04 4.18 3.58 -1.22 -2.88 116.42 119.70 1p81 h ASP 417 Ca -0.28 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 1p81 h ASP 417 Cb 1.71 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.84 1p81 h ASP 417 CO 0.05 0.00 -0.03 0.00 -2.88 0.00 0.00 179.24 176.39 1p81 h THR 418 N 0.11 0.97 0.00 2.25 1.03 -1.35 -2.13 112.91 113.78 1p81 h THR 418 Ca 0.12 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 1p81 h THR 418 Cb 0.14 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1p81 h THR 418 CO -0.19 0.03 0.00 0.00 -0.01 0.00 0.00 175.52 175.35 1p81 n GLN 419 N -4.43 0.16 0.09 0.00 3.00 -1.09 -2.24 117.38 112.87 1p81 n GLN 419 Ca -0.03 0.33 0.03 0.00 -0.01 0.00 0.00 57.00 57.32 1p81 n GLN 419 Cb 0.12 -1.77 0.42 0.00 0.00 0.00 0.00 30.24 29.01 1p81 n GLN 419 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1p81 h ILE 420 N 0.00 1.14 0.03 5.09 1.08 -1.52 -0.23 117.51 123.10 1p81 h ILE 420 Ca 0.00 -0.52 -0.37 0.00 -0.39 0.00 0.00 64.86 63.58 1p81 h ILE 420 Cb 0.41 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 1p81 h ILE 420 CO 0.00 0.18 -2.12 -1.54 -0.69 0.00 0.00 178.15 173.98 1p81 n SER 421 N -4.37 1.99 -0.10 1.72 3.41 -1.11 -1.81 113.62 113.36 1p81 n SER 421 Ca 0.00 0.18 -0.07 0.00 -0.26 0.00 0.00 58.87 58.72 1p81 n SER 421 Cb 0.18 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1p81 n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1p81 h ARG 422 N -0.42 0.33 -0.21 4.33 2.43 -1.40 -3.09 114.38 116.35 1p81 h ARG 422 Ca -0.52 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1p81 h ARG 422 Cb 1.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1p81 h ARG 422 CO -0.15 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.81 1p81 n LEU 423 N -4.95 3.41 0.00 3.80 4.77 -0.11 -4.37 117.00 119.56 1p81 n LEU 423 Ca 0.00 -2.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.13 1p81 n LEU 423 Cb 0.09 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1p81 n LEU 423 CO 0.30 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1p81 n GLY 424 N -0.54 0.62 0.00 -0.72 0.00 -1.16 -4.79 105.19 98.59 1p81 n GLY 424 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1p81 n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p81 n GLY 425 N -2.51 -1.98 0.31 -0.02 0.00 -0.75 -4.79 105.19 95.45 1p81 n GLY 425 Ca 0.00 -1.31 0.14 0.00 0.00 0.00 0.00 46.02 44.85 1p81 n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p81 n PRO 426 N -0.50 1.27 -0.92 1.61 -0.04 -1.26 -3.60 135.00 131.56 1p81 n PRO 426 Ca 0.00 -0.62 -0.12 0.00 -0.04 0.00 0.00 63.50 62.72 1p81 n PRO 426 Cb 0.00 -1.49 0.20 0.00 -0.04 0.00 0.00 33.50 32.17 1p81 n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p81 n ASN 427 N -0.33 3.97 0.31 3.54 3.02 -1.26 -4.58 115.26 119.93 1p81 n ASN 427 Ca 0.18 -3.14 0.19 0.00 -0.03 0.00 0.00 54.58 51.77 1p81 n ASN 427 Cb 0.30 -0.74 1.03 0.00 -0.61 0.00 0.00 39.78 39.76 1p81 n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1p81 h PHE 428 N 1.52 0.00 0.00 3.10 -5.15 -1.87 -0.24 116.94 114.30 1p81 h PHE 428 Ca 0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.14 1p81 h PHE 428 Cb 2.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.45 1p81 h PHE 428 CO 1.18 0.01 0.00 1.12 -2.00 0.00 0.00 178.31 178.62 1p81 h HIS 429 N 0.00 0.00 0.00 6.09 2.07 -1.89 -2.55 115.15 118.88 1p81 h HIS 429 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1p81 h HIS 429 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1p81 h HIS 429 CO 0.00 0.00 -0.31 0.39 -3.07 0.00 0.00 177.93 174.94 1p81 n GLU 430 N -2.31 0.06 -2.10 5.12 1.02 -0.10 -3.04 120.64 119.29 1p81 n GLU 430 Ca 0.02 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1p81 n GLU 430 Cb 0.24 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1p81 n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1p81 s ILE 431 N -3.03 3.18 0.23 -3.67 1.01 -0.96 -4.83 121.20 113.13 1p81 s ILE 431 Ca 0.11 0.80 -0.17 0.00 0.00 0.00 0.00 60.65 61.40 1p81 s ILE 431 Cb 0.17 -3.51 0.25 0.00 0.01 0.00 0.00 42.46 39.37 1p81 s ILE 431 CO 0.64 0.05 1.56 -0.65 0.00 0.00 0.00 174.94 176.54 1p81 h PRO 432 N 7.10 -0.03 0.00 2.79 0.11 -1.89 0.40 132.00 140.48 1p81 h PRO 432 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1p81 h PRO 432 Cb 1.20 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p81 h PRO 432 CO 0.89 -0.02 -0.10 0.97 -0.21 0.00 0.00 178.00 179.52 1p81 h ILE 433 N -0.03 0.86 0.00 4.15 6.09 -1.90 -1.98 117.51 124.70 1p81 h ILE 433 Ca 0.34 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1p81 h ILE 433 Cb 0.60 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.11 1p81 h ILE 433 CO -0.93 0.10 -0.31 0.59 -3.07 0.00 0.00 178.15 174.53 1p81 n ASN 434 N -4.11 0.63 -4.77 2.19 3.02 0.11 -4.92 115.26 107.41 1p81 n ASN 434 Ca -0.02 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 1p81 n ASN 434 Cb 0.19 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1p81 n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1p81 s ARG 435 N -3.10 4.26 0.67 3.52 0.52 -0.75 -4.84 118.95 119.22 1p81 s ARG 435 Ca 0.09 2.36 -0.16 0.00 -0.52 0.00 0.00 55.73 57.50 1p81 s ARG 435 Cb 0.14 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1p81 s ARG 435 CO 0.65 -0.34 1.17 -2.14 0.02 0.00 0.00 175.30 174.67 1p81 s PRO 436 N -1.78 2.60 0.01 3.54 0.02 -1.26 -4.93 135.00 133.20 1p81 s PRO 436 Ca 0.51 1.66 0.23 0.00 0.02 0.00 0.00 61.00 63.42 1p81 s PRO 436 Cb -0.42 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.25 1p81 s PRO 436 CO 0.56 -1.46 1.08 0.25 -0.33 0.00 0.00 177.00 177.10 1p81 n THR 437 N -2.28 0.03 -2.87 0.99 -2.24 -1.26 -4.91 114.28 101.74 1p81 n THR 437 Ca 0.12 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1p81 n THR 437 Cb 0.51 0.57 0.02 0.00 -2.10 0.00 0.00 70.33 69.32 1p81 n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p81 s PRO 439 N -4.62 4.03 -0.04 0.00 0.02 -1.26 -5.02 135.00 128.10 1p81 s PRO 439 Ca 0.51 2.57 -0.02 0.00 0.02 0.00 0.00 61.00 64.09 1p81 s PRO 439 Cb -0.10 -2.91 0.03 0.00 0.02 0.00 0.00 34.50 31.54 1p81 s PRO 439 CO 0.38 -0.60 0.07 1.52 -0.33 0.00 0.00 177.00 178.04 1p81 s TYR 440 N -1.13 -0.00 -0.06 6.54 1.13 -1.26 -4.96 117.35 117.60 1p81 s TYR 440 Ca 0.54 0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 56.46 1p81 s TYR 440 Cb -0.46 -0.34 0.04 0.00 -1.10 0.00 0.00 41.96 40.09 1p81 s TYR 440 CO 0.63 -0.17 0.13 -1.01 -2.51 0.00 0.00 175.55 172.62 1p81 s HIS 441 N 1.77 -0.13 0.07 -3.49 3.76 -1.26 -5.16 115.29 110.84 1p81 s HIS 441 Ca -0.01 0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 55.29 1p81 s HIS 441 Cb -0.12 -0.10 0.01 0.00 1.11 0.00 0.00 32.58 33.48 1p81 s HIS 441 CO -0.04 -0.15 0.19 0.27 -0.85 0.00 0.00 174.74 174.17 1p81 n ASN 442 N 4.12 -0.45 -1.20 1.40 0.23 -1.26 -4.93 115.26 113.17 1p81 n ASN 442 Ca -0.26 -1.29 0.10 0.00 -0.53 0.00 0.00 54.58 52.60 1p81 n ASN 442 Cb 0.52 0.75 0.29 0.00 -2.08 0.00 0.00 39.78 39.26 1p81 n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1p81 n PHE 443 N -0.13 0.91 -2.54 -2.53 3.01 -1.26 -4.94 117.46 109.98 1p81 n PHE 443 Ca -0.01 -0.52 -0.36 0.00 1.01 0.00 0.00 57.45 57.56 1p81 n PHE 443 Cb 0.13 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 39.52 1p81 n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1p81 s GLN 444 N -1.13 4.12 0.17 -1.08 -0.21 -1.26 -4.70 119.66 115.58 1p81 s GLN 444 Ca 0.43 1.51 -0.04 0.00 0.02 0.00 0.00 55.36 57.27 1p81 s GLN 444 Cb 0.23 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1p81 s GLN 444 CO 0.28 -0.18 0.18 1.03 -2.12 0.00 0.00 175.29 174.48 1p81 s ARG 445 N -2.57 1.12 4.60 2.91 1.81 -1.26 -5.09 118.95 120.47 1p81 s ARG 445 Ca 0.59 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 1p81 s ARG 445 Cb -0.22 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 1p81 s ARG 445 CO 0.27 -0.38 0.00 -0.25 -0.68 0.00 0.00 175.30 174.26 1p81 n ASP 446 N -0.20 0.00 0.00 0.23 8.00 -1.26 -5.06 116.55 118.26 1p81 n ASP 446 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1p81 n ASP 446 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1p81 n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p81 n GLY 447 N 0.00 -0.42 3.77 0.44 0.00 -1.26 -4.66 105.19 103.06 1p81 n GLY 447 Ca 0.00 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1p81 n GLY 447 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p81 s MET 448 N -3.45 3.86 -1.27 1.61 1.75 -1.26 -3.00 119.30 117.55 1p81 s MET 448 Ca 0.00 2.51 -0.12 0.00 -1.25 0.00 0.00 55.69 56.83 1p81 s MET 448 Cb 0.00 -2.79 -0.00 0.00 2.84 0.00 0.00 34.83 34.88 1p81 s MET 448 CO 0.00 -0.71 0.61 1.58 -0.65 0.00 0.00 175.02 175.86 1p81 n HIS 449 N 0.09 -1.75 -2.40 4.11 -0.00 -1.26 -4.55 115.22 109.46 1p81 n HIS 449 Ca 0.03 0.56 -0.43 0.00 -0.00 0.00 0.00 57.72 57.88 1p81 n HIS 449 Cb 0.40 -3.54 -0.02 0.00 -0.00 0.00 0.00 29.99 26.83 1p81 n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1p81 s ARG 450 N -6.35 4.18 -0.20 1.57 6.06 -1.16 -4.90 118.95 118.14 1p81 s ARG 450 Ca 0.25 1.63 -0.19 0.00 -2.50 0.00 0.00 55.73 54.92 1p81 s ARG 450 Cb -0.10 -3.80 -0.16 0.00 0.06 0.00 0.00 34.95 30.95 1p81 s ARG 450 CO 0.88 -0.78 0.14 0.52 -2.50 0.00 0.00 175.30 173.56 1p81 h MET 451 N 8.46 0.00 -6.78 5.12 2.86 -1.92 -3.47 114.93 119.19 1p81 h MET 451 Ca -0.27 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.84 1p81 h MET 451 Cb 1.11 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.84 1p81 h MET 451 CO 0.98 0.82 0.83 0.20 1.06 0.00 0.00 176.91 180.80 1p81 s GLY 452 N -4.74 2.23 -0.44 8.32 0.00 -1.26 -4.96 107.32 106.46 1p81 s GLY 452 Ca -0.26 1.46 -0.08 0.00 0.00 0.00 0.00 44.72 45.84 1p81 s GLY 452 CO 0.52 2.42 0.29 -0.42 0.00 0.00 0.00 173.10 175.92 1p81 s ILE 453 N -0.03 4.05 0.07 0.90 1.01 -1.26 -4.99 121.20 120.95 1p81 s ILE 453 Ca 0.61 -1.72 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 1p81 s ILE 453 Cb -0.45 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1p81 s ILE 453 CO 0.46 -0.68 1.19 -1.81 0.00 0.00 0.00 174.94 174.10 1p81 s ASP 454 N 2.37 7.10 0.00 3.58 1.11 -1.26 -4.94 116.67 124.63 1p81 s ASP 454 Ca 0.05 2.02 0.22 0.00 0.18 0.00 0.00 52.55 55.02 1p81 s ASP 454 Cb -0.25 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.12 1p81 s ASP 454 CO -0.01 -0.45 1.05 0.35 1.18 0.00 0.00 175.17 177.30 1p81 n THR 455 N 3.78 0.00 -1.69 -1.27 -2.24 -1.26 -4.94 114.28 106.66 1p81 n THR 455 Ca 0.08 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 1p81 n THR 455 Cb 0.46 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.81 1p81 n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p81 n ASN 456 N -0.46 3.58 -0.01 3.42 2.85 -1.26 -4.85 115.26 118.52 1p81 n ASN 456 Ca 0.08 1.04 0.14 0.00 -0.11 0.00 0.00 54.58 55.73 1p81 n ASN 456 Cb 0.43 -1.49 0.57 0.00 1.24 0.00 0.00 39.78 40.54 1p81 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1p81 h PRO 457 N 7.10 0.23 -6.00 1.20 0.11 -1.92 -3.42 132.00 129.30 1p81 h PRO 457 Ca -0.45 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 1p81 h PRO 457 Cb 1.24 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1p81 h PRO 457 CO 0.93 0.15 -0.56 0.00 -0.21 0.00 0.00 178.00 178.31 1p81 s ALA 458 N -5.24 3.68 -0.13 -0.75 0.00 -1.26 -4.99 121.76 113.07 1p81 s ALA 458 Ca -0.07 -0.88 0.15 0.00 0.00 0.00 0.00 51.96 51.16 1p81 s ALA 458 Cb 0.19 -1.62 0.33 0.00 0.00 0.00 0.00 23.12 22.02 1p81 s ALA 458 CO 0.73 0.73 1.16 0.27 0.00 0.00 0.00 175.76 178.65 1p81 n ASN 459 N 0.90 1.66 -3.90 0.00 2.04 -1.26 -4.99 115.26 109.71 1p81 n ASN 459 Ca -0.11 -3.16 -0.09 0.00 -0.44 0.00 0.00 54.58 50.78 1p81 n ASN 459 Cb 0.52 -0.43 -0.07 0.00 -2.53 0.00 0.00 39.78 37.27 1p81 n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1p81 s TYR 460 N -2.34 0.26 -0.01 -2.53 -0.85 -1.26 -4.79 117.35 105.82 1p81 s TYR 460 Ca 0.31 -0.66 -0.07 0.00 -0.52 0.00 0.00 57.07 56.14 1p81 s TYR 460 Cb 0.30 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.60 1p81 s TYR 460 CO -0.04 -0.64 0.14 -1.83 -1.52 0.00 0.00 175.55 171.67 1p81 s GLU 461 N -3.91 0.41 0.40 -3.49 4.04 -1.26 -4.11 118.70 110.78 1p81 s GLU 461 Ca 0.11 -0.24 -0.25 0.00 0.04 0.00 0.00 54.97 54.63 1p81 s GLU 461 Cb 0.04 0.17 -0.08 0.00 0.02 0.00 0.00 34.13 34.28 1p81 s GLU 461 CO -0.06 -0.09 1.17 -1.25 -1.84 0.00 0.00 175.26 173.20 1p81 s PRO 462 N -1.00 4.04 0.06 -4.83 0.04 -1.26 -5.19 135.00 126.87 1p81 s PRO 462 Ca -0.11 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1p81 s PRO 462 Cb -0.06 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1p81 s PRO 462 CO 0.01 -0.33 -0.10 0.54 0.04 0.00 0.00 177.00 177.16 1p81 s ASN 463 N -1.14 1.23 -0.02 6.66 2.20 -1.26 -5.03 114.94 117.59 1p81 s ASN 463 Ca 0.57 -0.62 0.18 0.00 -0.94 0.00 0.00 52.86 52.05 1p81 s ASN 463 Cb -0.31 0.00 -0.27 0.00 -2.00 0.00 0.00 41.25 38.67 1p81 s ASN 463 CO 0.39 -0.17 0.42 -1.54 -2.94 0.00 0.00 177.10 173.25 1p81 n SER 464 N 1.24 0.88 0.05 3.54 3.41 -1.26 -1.66 113.62 119.82 1p81 n SER 464 Ca -0.21 -0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.45 1p81 n SER 464 Cb 0.55 1.77 0.44 0.00 -0.26 0.00 0.00 64.21 66.72 1p81 n SER 464 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1p81 n ILE 465 N -2.08 0.67 -1.42 -1.33 -5.35 -1.26 -1.89 119.36 106.70 1p81 n ILE 465 Ca -0.03 0.10 0.07 0.00 -0.27 0.00 0.00 62.75 62.62 1p81 n ILE 465 Cb 0.46 -0.87 0.10 0.00 -1.74 0.00 0.00 39.64 37.59 1p81 n ILE 465 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1p81 n ASN 466 N -1.83 1.58 -3.00 7.28 5.15 -1.26 -4.87 115.26 118.30 1p81 n ASN 466 Ca 0.04 -2.79 -0.22 0.00 -0.60 0.00 0.00 54.58 51.01 1p81 n ASN 466 Cb 0.27 -0.37 0.02 0.00 -0.53 0.00 0.00 39.78 39.17 1p81 n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1p81 n ASP 467 N -0.93 -5.50 -0.67 1.20 2.03 -0.79 -2.40 116.55 109.48 1p81 n ASP 467 Ca 0.11 -0.26 -0.09 0.00 0.52 0.00 0.00 54.79 55.08 1p81 n ASP 467 Cb 0.68 -4.48 -0.04 0.00 -0.72 0.00 0.00 41.12 36.56 1p81 n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1p81 n ASN 468 N -2.39 -4.54 -4.88 1.67 5.15 -0.66 -4.99 115.26 104.61 1p81 n ASN 468 Ca -0.11 0.22 -0.31 0.00 -0.60 0.00 0.00 54.58 53.78 1p81 n ASN 468 Cb 0.61 -2.81 -0.04 0.00 -0.53 0.00 0.00 39.78 37.00 1p81 n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1p81 s TRP 469 N -2.16 3.44 0.49 1.20 0.52 -1.01 -3.63 118.94 117.79 1p81 s TRP 469 Ca 0.00 0.91 -0.22 0.00 0.02 0.00 0.00 56.10 56.81 1p81 s TRP 469 Cb 0.00 -2.31 -0.06 0.00 -1.15 0.00 0.00 33.47 29.95 1p81 s TRP 469 CO 0.00 0.12 1.22 -1.25 0.02 0.00 0.00 176.95 177.07 1p81 s PRO 470 N -3.28 3.53 0.12 4.98 0.04 -1.26 -4.90 135.00 134.23 1p81 s PRO 470 Ca 0.49 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.47 1p81 s PRO 470 Cb -0.11 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1p81 s PRO 470 CO 0.25 -0.77 0.11 1.03 0.04 0.00 0.00 177.00 177.66 1p81 s ARG 471 N -2.80 2.90 0.74 4.56 0.52 -1.24 -5.02 118.95 118.61 1p81 s ARG 471 Ca 0.67 -0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 54.95 1p81 s ARG 471 Cb -0.32 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.49 1p81 s ARG 471 CO 0.38 0.52 1.16 0.39 0.02 0.00 0.00 175.30 177.78 1p81 n GLU 472 N 0.04 0.55 -4.47 3.54 1.02 -1.26 -5.04 120.64 115.02 1p81 n GLU 472 Ca -0.08 0.25 -0.24 0.00 -0.02 0.00 0.00 57.16 57.07 1p81 n GLU 472 Cb 0.53 -2.41 -0.17 0.00 -0.02 0.00 0.00 31.44 29.38 1p81 n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p81 s THR 473 N -1.82 1.05 0.61 2.62 2.01 -1.26 -5.07 115.64 113.77 1p81 s THR 473 Ca 0.76 -0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 1p81 s THR 473 Cb -0.33 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1p81 s THR 473 CO 0.48 0.34 1.25 -2.84 -0.69 0.00 0.00 174.62 173.16 1p81 s PRO 474 N 0.80 2.84 0.75 4.92 0.02 -1.26 -2.03 135.00 141.04 1p81 s PRO 474 Ca -0.12 1.96 -0.15 0.00 0.02 0.00 0.00 61.00 62.71 1p81 s PRO 474 Cb -0.15 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.48 1p81 s PRO 474 CO 0.02 -1.34 1.24 -1.25 -0.33 0.00 0.00 177.00 175.33 1p81 s PRO 475 N -3.30 1.94 0.11 5.54 0.04 -1.25 -1.51 135.00 136.57 1p81 s PRO 475 Ca 0.79 1.86 -0.22 0.00 0.04 0.00 0.00 61.00 63.47 1p81 s PRO 475 Cb -0.34 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1p81 s PRO 475 CO 0.37 -2.01 1.01 0.41 0.04 0.00 0.00 177.00 176.82 1p81 n GLY 476 N 0.62 0.53 0.21 0.56 0.00 -1.26 -4.77 105.19 101.08 1p81 n GLY 476 Ca 0.14 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 45.09 1p81 n GLY 476 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p81 h PRO 477 N 0.00 0.05 -2.31 1.61 0.13 -1.95 -3.40 132.00 126.13 1p81 h PRO 477 Ca -0.23 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1p81 h PRO 477 Cb 1.09 -0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.00 1p81 h PRO 477 CO 0.32 0.32 -0.00 0.21 -0.23 0.00 0.00 178.00 178.62 1p81 s LYS 478 N -4.41 0.75 -1.29 0.86 2.20 -1.26 -4.86 119.74 111.73 1p81 s LYS 478 Ca -0.04 0.65 -0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1p81 s LYS 478 Cb 0.15 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 1p81 s LYS 478 CO 0.72 -0.13 0.02 0.54 -0.36 0.00 0.00 175.35 176.14 1p81 n ARG 479 N 2.33 -2.13 -3.18 4.03 5.12 -1.26 -4.97 116.66 116.60 1p81 n ARG 479 Ca -0.15 0.73 -0.18 0.00 -1.93 0.00 0.00 57.85 56.31 1p81 n ARG 479 Cb 0.56 -5.35 -0.00 0.00 -1.16 0.00 0.00 32.46 26.51 1p81 n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1p81 s GLY 480 N -2.06 1.95 0.76 -0.13 0.00 -1.26 -4.95 107.32 101.63 1p81 s GLY 480 Ca 0.01 -1.69 -0.11 0.00 0.00 0.00 0.00 44.72 42.93 1p81 s GLY 480 CO 0.02 -1.52 1.08 -0.32 0.00 0.00 0.00 173.10 172.36 1p81 s GLY 481 N -4.28 1.64 0.00 0.20 0.00 -0.57 -4.74 107.32 99.57 1p81 s GLY 481 Ca 0.52 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 1p81 s GLY 481 CO 0.32 0.28 0.98 -0.12 0.00 0.00 0.00 173.10 174.55 1p81 s PHE 482 N -3.12 3.67 -0.06 1.90 5.36 -1.26 -3.89 117.98 120.59 1p81 s PHE 482 Ca 0.60 1.70 0.02 0.00 -0.96 0.00 0.00 56.93 58.29 1p81 s PHE 482 Cb -0.14 -3.11 0.01 0.00 -0.34 0.00 0.00 43.02 39.44 1p81 s PHE 482 CO 0.54 0.00 -0.10 -2.00 -1.46 0.00 0.00 175.22 172.21 1p81 s GLU 483 N 0.95 1.43 0.49 10.12 2.12 -1.26 -4.94 118.70 127.61 1p81 s GLU 483 Ca 0.52 -0.33 -0.21 0.00 0.36 0.00 0.00 54.97 55.31 1p81 s GLU 483 Cb -0.21 -1.22 -0.07 0.00 0.26 0.00 0.00 34.13 32.89 1p81 s GLU 483 CO 0.28 0.00 1.13 -1.12 -0.54 0.00 0.00 175.26 175.01 1p81 s SER 484 N 0.70 6.07 0.25 -1.70 0.01 -1.26 -4.96 113.70 112.80 1p81 s SER 484 Ca -0.13 2.20 -0.30 0.00 1.31 0.00 0.00 55.95 59.02 1p81 s SER 484 Cb -0.15 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.38 1p81 s SER 484 CO 0.03 -0.98 1.54 -0.47 0.41 0.00 0.00 173.24 173.77 1p81 s TYR 485 N -1.68 2.91 -1.55 2.43 5.04 -1.26 -4.86 117.35 118.38 1p81 s TYR 485 Ca 0.67 0.82 -0.09 0.00 -2.44 0.00 0.00 57.07 56.02 1p81 s TYR 485 Cb -0.25 -3.96 -0.03 0.00 0.35 0.00 0.00 41.96 38.07 1p81 s TYR 485 CO 0.30 -3.27 2.78 1.04 -1.34 0.00 0.00 175.55 175.06 1p81 n GLN 486 N 2.63 3.85 -1.85 4.97 6.02 -1.26 -4.95 117.38 126.78 1p81 n GLN 486 Ca 0.09 -2.51 -0.41 0.00 -0.01 0.00 0.00 57.00 54.16 1p81 n GLN 486 Cb 0.38 -2.80 0.00 0.00 1.02 0.00 0.00 30.24 28.85 1p81 n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1p81 s GLU 487 N 1.50 4.01 0.01 -1.09 2.12 -1.26 -4.96 118.70 119.03 1p81 s GLU 487 Ca 0.65 2.46 -0.30 0.00 0.36 0.00 0.00 54.97 58.14 1p81 s GLU 487 Cb 0.18 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1p81 s GLU 487 CO -0.07 -0.57 1.06 0.50 -0.54 0.00 0.00 175.26 175.64 1p81 s ARG 488 N -2.17 4.51 -0.17 4.30 6.06 -1.26 -5.03 118.95 125.18 1p81 s ARG 488 Ca 0.55 1.54 0.01 0.00 -2.50 0.00 0.00 55.73 55.32 1p81 s ARG 488 Cb -0.44 -3.43 0.01 0.00 0.06 0.00 0.00 34.95 31.15 1p81 s ARG 488 CO 0.59 -0.14 -0.18 0.08 -2.50 0.00 0.00 175.30 173.15 1p81 s VAL 489 N 1.10 2.27 -0.04 7.11 1.01 -1.26 -5.11 120.40 125.49 1p81 s VAL 489 Ca 0.54 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1p81 s VAL 489 Cb -0.24 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.23 1p81 s VAL 489 CO 0.28 0.53 0.07 -1.61 0.00 0.00 0.00 175.10 174.37 1p81 s GLU 490 N 1.11 -0.03 0.00 2.72 2.02 -1.26 -5.14 118.70 118.12 1p81 s GLU 490 Ca 0.00 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1p81 s GLU 490 Cb -0.14 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.74 1p81 s GLU 490 CO -0.07 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1p81 n GLY 491 N 4.80 0.81 3.94 -1.39 0.00 -1.26 -5.14 105.19 106.95 1p81 n GLY 491 Ca -0.14 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 1p81 n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p81 s ASN 492 N 0.00 6.30 -0.46 1.61 -0.87 -1.26 -5.00 114.94 115.26 1p81 s ASN 492 Ca 0.00 0.41 -0.27 0.00 -1.57 0.00 0.00 52.86 51.43 1p81 s ASN 492 Cb 0.00 -2.01 -0.02 0.00 -0.02 0.00 0.00 41.25 39.19 1p81 s ASN 492 CO 0.00 -0.26 1.84 -0.54 -2.57 0.00 0.00 177.10 175.57 1p81 s LYS 493 N -4.24 2.99 0.06 -0.60 1.02 -1.26 -4.95 119.74 112.75 1p81 s LYS 493 Ca 0.39 1.07 0.02 0.00 0.02 0.00 0.00 55.97 57.48 1p81 s LYS 493 Cb -0.10 -4.29 -0.03 0.00 -0.52 0.00 0.00 37.83 32.89 1p81 s LYS 493 CO 0.35 -2.28 -0.08 0.14 -0.92 0.00 0.00 175.35 172.56 1p81 s VAL 494 N 8.02 0.62 -0.88 3.17 -7.23 -1.26 -5.07 120.40 117.77 1p81 s VAL 494 Ca 0.75 -1.37 -0.06 0.00 -1.81 0.00 0.00 61.98 59.48 1p81 s VAL 494 Cb -0.18 -0.98 0.22 0.00 0.56 0.00 0.00 36.38 36.01 1p81 s VAL 494 CO 0.28 -0.53 0.79 -0.13 -0.31 0.00 0.00 175.10 175.19 1p81 s ARG 495 N -2.32 3.43 -0.08 4.82 0.52 -1.26 -5.01 118.95 119.05 1p81 s ARG 495 Ca -0.03 -2.94 -0.08 0.00 -0.52 0.00 0.00 55.73 52.17 1p81 s ARG 495 Cb -0.05 -4.16 0.02 0.00 0.52 0.00 0.00 34.95 31.28 1p81 s ARG 495 CO -0.01 -1.25 0.22 -2.00 0.02 0.00 0.00 175.30 172.28 1p81 s GLU 496 N -0.74 0.26 0.12 3.54 2.12 -1.26 -5.14 118.70 117.59 1p81 s GLU 496 Ca 0.24 0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.60 1p81 s GLU 496 Cb -0.11 0.13 -0.07 0.00 0.26 0.00 0.00 34.13 34.34 1p81 s GLU 496 CO -0.09 -0.03 0.85 0.50 -0.54 0.00 0.00 175.26 175.95 1p81 s ARG 497 N 0.11 4.62 0.25 4.30 6.06 -1.26 -5.00 118.95 128.03 1p81 s ARG 497 Ca -0.00 1.25 -0.30 0.00 -2.50 0.00 0.00 55.73 54.18 1p81 s ARG 497 Cb -0.02 -3.33 -0.10 0.00 0.06 0.00 0.00 34.95 31.56 1p81 s ARG 497 CO 0.00 0.35 1.48 0.45 -2.50 0.00 0.00 175.30 175.09 1p81 s SER 498 N -0.42 6.58 0.47 -2.12 0.15 -1.26 -4.87 113.70 112.24 1p81 s SER 498 Ca 0.41 2.73 0.14 0.00 0.70 0.00 0.00 55.95 59.92 1p81 s SER 498 Cb -0.23 -2.62 1.12 0.00 -1.71 0.00 0.00 66.02 62.58 1p81 s SER 498 CO 0.27 -0.76 2.08 -0.65 1.20 0.00 0.00 173.24 175.38 1p81 h PRO 499 N 5.13 0.23 0.00 5.44 0.11 -2.01 -0.11 132.00 140.78 1p81 h PRO 499 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1p81 h PRO 499 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p81 h PRO 499 CO 0.79 0.15 0.04 0.66 -0.21 0.00 0.00 178.00 179.43 1p81 h SER 500 N 0.23 0.00 0.34 -2.05 4.64 -2.03 -1.03 113.55 113.65 1p81 h SER 500 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1p81 h SER 500 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1p81 h SER 500 CO -0.02 0.00 -0.29 0.49 -0.87 0.00 0.00 176.83 176.14 1p81 n PHE 501 N -2.97 0.00 -0.35 4.77 3.01 -0.06 -4.42 117.46 117.43 1p81 n PHE 501 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1p81 n PHE 501 Cb 0.11 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 1p81 n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p81 n GLY 502 N 1.37 2.19 2.94 1.37 0.00 -0.39 -4.74 105.19 107.93 1p81 n GLY 502 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1p81 n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p81 s GLU 503 N 0.27 1.47 0.00 1.61 -6.30 -1.26 -5.04 118.70 109.45 1p81 s GLU 503 Ca 0.00 -0.28 0.00 0.00 -2.50 0.00 0.00 54.97 52.19 1p81 s GLU 503 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 34.13 32.71 1p81 s GLU 503 CO 0.00 -0.15 0.29 0.66 0.02 0.00 0.00 175.26 176.08 1p81 n TYR 504 N 4.48 0.00 -0.00 5.30 4.01 -1.26 -4.87 117.16 124.81 1p81 n TYR 504 Ca -0.17 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.59 1p81 n TYR 504 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 1p81 n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p81 n TYR 505 N -0.36 0.00 -0.16 -0.72 4.01 -1.26 -4.58 117.16 114.09 1p81 n TYR 505 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1p81 n TYR 505 Cb 0.01 -0.08 0.04 0.00 -0.31 0.00 0.00 39.34 39.00 1p81 n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p81 h SER 506 N 0.00 0.98 -0.17 7.72 4.64 -1.90 -1.74 113.55 123.09 1p81 h SER 506 Ca -0.00 -0.33 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1p81 h SER 506 Cb 0.17 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1p81 h SER 506 CO 0.00 1.10 -0.08 0.45 -0.87 0.00 0.00 176.83 177.44 1p81 h HIS 507 N 0.87 0.41 -0.65 4.77 3.86 -1.90 -0.51 115.15 122.00 1p81 h HIS 507 Ca 0.13 -0.10 0.11 0.00 -1.16 0.00 0.00 60.37 59.35 1p81 h HIS 507 Cb 0.68 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 28.98 1p81 h HIS 507 CO 0.04 0.66 0.23 -1.35 0.86 0.00 0.00 177.93 178.37 1p81 h PRO 508 N 0.04 0.38 -0.37 2.45 0.11 -1.81 0.91 132.00 133.71 1p81 h PRO 508 Ca 0.04 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1p81 h PRO 508 Cb 0.55 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1p81 h PRO 508 CO 0.02 0.25 0.11 -0.09 -0.21 0.00 0.00 178.00 178.08 1p81 h ARG 509 N 0.39 0.58 -0.95 1.05 2.43 -1.13 -0.21 114.38 116.53 1p81 h ARG 509 Ca 0.34 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1p81 h ARG 509 Cb 0.47 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1p81 h ARG 509 CO -0.36 0.61 0.62 1.25 -1.51 0.00 0.00 179.97 180.58 1p81 h LEU 510 N 0.45 1.01 0.13 3.80 5.85 -0.09 0.36 115.31 126.82 1p81 h LEU 510 Ca 0.12 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1p81 h LEU 510 Cb 0.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1p81 h LEU 510 CO -0.00 0.68 -0.06 0.15 -0.34 0.00 0.00 178.44 178.86 1p81 h PHE 511 N 1.17 -0.17 -0.36 1.25 3.04 -0.58 -2.46 116.94 118.83 1p81 h PHE 511 Ca 0.39 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.41 1p81 h PHE 511 Cb 0.06 0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.55 1p81 h PHE 511 CO -0.01 0.07 -0.12 2.35 -2.02 0.00 0.00 178.31 178.58 1p81 h TRP 512 N -0.39 -0.28 0.00 0.41 2.91 -0.49 -1.94 115.95 116.17 1p81 h TRP 512 Ca -0.02 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1p81 h TRP 512 Cb 0.31 0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 1p81 h TRP 512 CO -0.00 -0.19 0.00 1.28 -1.03 0.00 0.00 178.44 178.49 1p81 n LEU 513 N -5.31 0.69 0.04 0.65 4.77 0.07 -2.61 117.00 115.29 1p81 n LEU 513 Ca 0.01 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.80 1p81 n LEU 513 Cb 0.23 -0.61 0.32 0.00 -2.33 0.00 0.00 43.42 41.03 1p81 n LEU 513 CO 0.15 -0.62 0.58 -1.20 -1.33 0.00 0.00 177.39 174.98 1p81 n SER 514 N -2.27 0.52 -4.84 -1.43 7.64 -0.74 -4.86 113.62 107.64 1p81 n SER 514 Ca 0.02 0.15 -0.32 0.00 1.01 0.00 0.00 58.87 59.72 1p81 n SER 514 Cb 0.21 -0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1p81 n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1p81 s GLN 515 N -3.07 4.04 0.96 1.43 -1.52 -1.07 -4.23 119.66 116.20 1p81 s GLN 515 Ca 0.10 0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 54.30 1p81 s GLN 515 Cb 0.16 -2.23 0.17 0.00 -0.22 0.00 0.00 33.01 30.88 1p81 s GLN 515 CO 0.66 -0.08 1.09 0.95 -0.25 0.00 0.00 175.29 177.66 1p81 s THR 516 N -2.32 2.28 0.28 -0.19 -4.23 -1.26 -4.74 115.64 105.46 1p81 s THR 516 Ca 0.58 0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1p81 s THR 516 Cb -0.10 -2.59 0.23 0.00 1.34 0.00 0.00 72.50 71.38 1p81 s THR 516 CO 0.22 -0.12 1.91 -0.65 -0.54 0.00 0.00 174.62 175.44 1p81 h PRO 517 N -1.77 1.09 0.00 3.99 0.11 -1.98 0.18 132.00 133.63 1p81 h PRO 517 Ca -0.53 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 65.31 1p81 h PRO 517 Cb 1.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1p81 h PRO 517 CO 0.57 0.78 -0.75 0.27 -0.21 0.00 0.00 178.00 178.66 1p81 h PHE 518 N 1.10 0.00 -0.22 0.65 -0.00 -1.97 -1.62 116.94 114.87 1p81 h PHE 518 Ca 0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 58.11 1p81 h PHE 518 Cb -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 1p81 h PHE 518 CO 0.01 0.75 -0.46 0.93 -0.00 0.00 0.00 178.31 179.54 1p81 h GLU 519 N 0.00 0.57 -0.51 6.09 5.08 -1.70 -1.62 114.58 122.48 1p81 h GLU 519 Ca -0.01 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1p81 h GLU 519 Cb 1.39 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1p81 h GLU 519 CO 0.10 0.91 0.28 1.96 -1.00 0.00 0.00 179.01 181.27 1p81 h GLN 520 N 0.46 0.71 -0.92 2.33 4.20 -0.39 -1.72 115.11 119.77 1p81 h GLN 520 Ca 0.03 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1p81 h GLN 520 Cb 0.98 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 1p81 h GLN 520 CO 0.09 0.55 0.61 -0.09 -0.67 0.00 0.00 178.83 179.32 1p81 h ARG 521 N 0.68 1.22 -0.27 1.46 2.43 -1.19 -0.70 114.38 118.02 1p81 h ARG 521 Ca 0.18 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1p81 h ARG 521 Cb 0.04 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1p81 h ARG 521 CO -0.03 0.81 -0.19 0.45 -1.51 0.00 0.00 179.97 179.49 1p81 h HIS 522 N 1.25 0.53 -0.08 2.20 3.86 -0.97 -0.57 115.15 121.37 1p81 h HIS 522 Ca 0.34 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1p81 h HIS 522 Cb -0.14 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1p81 h HIS 522 CO -0.01 0.65 -0.01 0.82 0.86 0.00 0.00 177.93 180.24 1p81 h ILE 523 N 0.44 1.28 -0.55 2.45 2.04 -0.67 -0.43 117.51 122.07 1p81 h ILE 523 Ca 0.07 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.14 1p81 h ILE 523 Cb 0.59 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 1p81 h ILE 523 CO 0.04 0.25 0.12 0.58 0.00 0.00 0.00 178.15 179.14 1p81 h VAL 524 N -0.18 0.69 -0.73 1.67 2.07 -0.87 -1.41 116.25 117.50 1p81 h VAL 524 Ca 0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1p81 h VAL 524 Cb 0.40 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1p81 h VAL 524 CO 0.01 0.05 0.35 0.44 0.02 0.00 0.00 177.57 178.43 1p81 h ASP 525 N 0.26 0.96 0.35 0.57 3.32 -0.97 -0.86 116.42 120.05 1p81 h ASP 525 Ca 0.28 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1p81 h ASP 525 Cb 0.39 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1p81 h ASP 525 CO -0.35 0.83 -0.17 1.23 -1.72 0.00 0.00 179.24 179.06 1p81 h GLY 526 N 1.03 -0.49 0.82 2.75 0.00 -0.74 0.54 103.07 106.98 1p81 h GLY 526 Ca 0.25 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1p81 h GLY 526 CO -0.03 -0.18 0.26 0.74 0.00 0.00 0.00 176.54 177.33 1p81 h PHE 527 N -0.48 0.48 -0.48 5.60 0.04 -1.14 -1.69 116.94 119.27 1p81 h PHE 527 Ca -0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1p81 h PHE 527 Cb 0.37 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1p81 h PHE 527 CO -0.05 0.26 0.24 0.77 -0.60 0.00 0.00 178.31 178.94 1p81 h SER 528 N 0.52 0.62 -0.07 2.17 0.02 -1.05 -1.01 113.55 114.75 1p81 h SER 528 Ca 0.20 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1p81 h SER 528 Cb 0.06 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1p81 h SER 528 CO -0.11 0.56 0.01 0.15 -1.14 0.00 0.00 176.83 176.29 1p81 h PHE 529 N 0.63 0.12 -0.55 3.45 3.04 -0.71 -2.30 116.94 120.62 1p81 h PHE 529 Ca 0.17 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1p81 h PHE 529 Cb 0.09 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 1p81 h PHE 529 CO -0.01 0.34 0.36 0.93 -2.02 0.00 0.00 178.31 177.91 1p81 h GLU 530 N -0.13 0.70 0.00 1.11 5.08 -1.28 -2.88 114.58 117.18 1p81 h GLU 530 Ca 0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1p81 h GLU 530 Cb 0.29 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1p81 h GLU 530 CO 0.00 0.46 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.24 1p81 h LEU 531 N 0.72 0.00 -1.59 1.33 3.38 -1.16 -2.03 115.31 115.96 1p81 h LEU 531 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1p81 h LEU 531 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1p81 h LEU 531 CO -0.06 0.16 -0.18 0.28 0.09 0.00 0.00 178.44 178.73 1p81 h SER 532 N 0.00 0.00 0.24 -0.43 0.02 -1.19 -1.89 113.55 110.30 1p81 h SER 532 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1p81 h SER 532 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1p81 h SER 532 CO 0.02 0.18 -0.12 0.29 -1.14 0.00 0.00 176.83 176.07 1p81 n LYS 533 N -3.60 0.91 -2.80 3.45 5.02 -0.77 -4.76 118.16 115.62 1p81 n LYS 533 Ca -0.01 -0.40 -0.42 0.00 -2.02 0.00 0.00 58.31 55.46 1p81 n LYS 533 Cb 0.32 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1p81 n LYS 533 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p81 s VAL 534 N -2.36 4.77 0.15 -0.18 1.01 -0.71 -4.56 120.40 118.51 1p81 s VAL 534 Ca 0.31 1.73 -0.05 0.00 0.00 0.00 0.00 61.98 63.97 1p81 s VAL 534 Cb 0.20 -4.20 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 1p81 s VAL 534 CO 0.45 -0.13 1.37 0.58 0.00 0.00 0.00 175.10 177.37 1p81 h VAL 535 N 5.45 1.35 -3.61 2.92 2.07 -1.86 -3.42 116.25 119.15 1p81 h VAL 535 Ca -0.21 -2.16 -0.58 0.00 0.82 0.00 0.00 66.70 64.56 1p81 h VAL 535 Cb 1.08 2.14 -0.09 0.00 -1.52 0.00 0.00 31.29 32.91 1p81 h VAL 535 CO 0.92 0.66 0.72 -0.13 0.02 0.00 0.00 177.57 179.75 1p81 s ARG 536 N -3.57 3.71 0.39 1.57 0.52 -1.26 -4.92 118.95 115.38 1p81 s ARG 536 Ca -0.07 0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 1p81 s ARG 536 Cb 0.10 -3.88 0.80 0.00 0.52 0.00 0.00 34.95 32.49 1p81 s ARG 536 CO 0.86 -1.19 2.03 -1.35 0.02 0.00 0.00 175.30 175.67 1p81 h PRO 537 N 8.91 0.63 0.00 3.54 0.11 -1.98 -1.42 132.00 141.80 1p81 h PRO 537 Ca -0.23 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1p81 h PRO 537 Cb 1.07 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1p81 h PRO 537 CO 1.05 0.42 -0.08 0.10 -0.21 0.00 0.00 178.00 179.28 1p81 h TYR 538 N 0.65 0.00 -0.35 0.65 -0.00 -1.97 -1.54 116.97 114.40 1p81 h TYR 538 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.85 1p81 h TYR 538 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.73 1p81 h TYR 538 CO -0.00 0.08 -0.11 0.82 -0.00 0.00 0.00 178.16 178.95 1p81 h ILE 539 N 0.00 1.28 -0.91 -0.90 2.04 -1.67 -1.69 117.51 115.67 1p81 h ILE 539 Ca -0.00 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.70 1p81 h ILE 539 Cb 0.15 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1p81 h ILE 539 CO 0.01 0.39 0.59 0.03 0.00 0.00 0.00 178.15 179.17 1p81 h ARG 540 N 0.48 1.09 -0.52 2.37 3.08 -1.30 -0.90 114.38 118.67 1p81 h ARG 540 Ca 0.08 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1p81 h ARG 540 Cb 0.63 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1p81 h ARG 540 CO 0.04 0.72 0.09 0.93 -1.07 0.00 0.00 179.97 180.68 1p81 h GLU 541 N 1.12 0.85 -0.40 0.04 5.08 -1.24 -1.62 114.58 118.40 1p81 h GLU 541 Ca 0.37 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1p81 h GLU 541 Cb 0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1p81 h GLU 541 CO -0.13 0.83 0.01 0.00 -1.00 0.00 0.00 179.01 178.72 1p81 h ARG 542 N 0.74 0.64 -0.28 2.33 3.08 -0.84 -1.32 114.38 118.73 1p81 h ARG 542 Ca 0.16 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1p81 h ARG 542 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1p81 h ARG 542 CO 0.01 0.65 -0.06 0.28 -1.07 0.00 0.00 179.97 179.78 1p81 h VAL 543 N 0.61 1.28 -0.89 2.04 2.07 -0.89 -2.10 116.25 118.37 1p81 h VAL 543 Ca 0.13 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.65 1p81 h VAL 543 Cb 0.37 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1p81 h VAL 543 CO 0.01 0.34 0.57 0.58 0.02 0.00 0.00 177.57 179.10 1p81 h VAL 544 N 0.30 1.01 -0.65 2.57 2.07 -1.02 -0.67 116.25 119.85 1p81 h VAL 544 Ca 0.07 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1p81 h VAL 544 Cb 0.54 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1p81 h VAL 544 CO 0.03 0.17 0.40 -0.78 0.02 0.00 0.00 177.57 177.40 1p81 h ASP 545 N 0.93 0.64 -0.68 0.57 1.82 -1.03 -1.00 116.42 117.67 1p81 h ASP 545 Ca 0.40 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.99 1p81 h ASP 545 Cb 0.32 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 1p81 h ASP 545 CO -0.16 0.44 0.22 1.56 -1.61 0.00 0.00 179.24 179.69 1p81 h GLN 546 N 0.77 1.04 -0.39 0.28 1.08 -0.56 -2.51 115.11 114.83 1p81 h GLN 546 Ca 0.27 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1p81 h GLN 546 Cb 0.05 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1p81 h GLN 546 CO -0.12 0.90 0.20 -0.07 -0.95 0.00 0.00 178.83 178.79 1p81 h LEU 547 N 0.98 0.47 -2.37 1.46 3.38 -0.22 -0.43 115.31 118.58 1p81 h LEU 547 Ca 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1p81 h LEU 547 Cb 0.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1p81 h LEU 547 CO -0.01 0.39 -0.03 0.00 0.09 0.00 0.00 178.44 178.88 1p81 h ALA 548 N 1.68 1.19 0.00 1.53 0.00 -0.76 0.75 119.26 123.65 1p81 h ALA 548 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p81 h ALA 548 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1p81 h ALA 548 CO -0.02 0.04 -0.11 0.72 0.00 0.00 0.00 179.25 179.88 1p81 n HIS 549 N -3.41 0.07 -0.09 0.00 8.25 -0.18 -4.29 115.22 115.58 1p81 n HIS 549 Ca -0.02 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1p81 n HIS 549 Cb 0.15 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 1p81 n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1p81 n ILE 550 N -1.56 1.49 -3.65 1.59 5.41 0.15 -4.22 119.36 118.57 1p81 n ILE 550 Ca 0.07 0.10 -0.05 0.00 1.00 0.00 0.00 62.75 63.86 1p81 n ILE 550 Cb 0.35 -2.30 -0.06 0.00 -0.71 0.00 0.00 39.64 36.91 1p81 n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p81 s ASP 551 N -6.06 -0.98 0.25 4.38 -1.08 -0.55 -4.65 116.67 107.98 1p81 s ASP 551 Ca -0.28 1.50 -0.04 0.00 -0.52 0.00 0.00 52.55 53.21 1p81 s ASP 551 Cb 0.05 1.69 0.30 0.00 -1.46 0.00 0.00 42.92 43.50 1p81 s ASP 551 CO 0.41 -0.23 1.83 0.25 0.52 0.00 0.00 175.17 177.95 1p81 h LEU 552 N 7.40 0.96 -0.26 -1.34 6.46 -1.80 -1.31 115.31 125.43 1p81 h LEU 552 Ca -0.26 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.35 1p81 h LEU 552 Cb 1.18 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 1p81 h LEU 552 CO 0.14 0.85 0.08 0.74 -0.62 0.00 0.00 178.44 179.63 1p81 h THR 553 N 1.02 1.20 -0.34 1.05 2.02 -1.97 0.26 112.91 116.15 1p81 h THR 553 Ca 0.24 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1p81 h THR 553 Cb 0.19 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1p81 h THR 553 CO -0.02 0.20 0.20 0.25 0.37 0.00 0.00 175.52 176.52 1p81 h LEU 554 N 0.25 0.41 -0.30 2.58 5.85 -1.89 -1.91 115.31 120.31 1p81 h LEU 554 Ca 0.08 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1p81 h LEU 554 Cb 0.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1p81 h LEU 554 CO -0.00 0.35 0.18 0.00 -0.34 0.00 0.00 178.44 178.63 1p81 h ALA 555 N 1.08 0.38 -0.61 1.25 0.00 -1.00 -2.03 119.26 118.32 1p81 h ALA 555 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1p81 h ALA 555 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1p81 h ALA 555 CO -0.02 -0.13 0.34 1.96 0.00 0.00 0.00 179.25 181.39 1p81 h GLN 556 N 0.38 0.84 -0.45 0.00 4.20 -0.38 0.11 115.11 119.81 1p81 h GLN 556 Ca 0.11 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1p81 h GLN 556 Cb -0.01 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1p81 h GLN 556 CO -0.02 0.64 -0.13 0.00 -0.67 0.00 0.00 178.83 178.65 1p81 h ALA 557 N 1.16 0.63 -0.29 3.87 0.00 -1.25 0.14 119.26 123.52 1p81 h ALA 557 Ca 0.21 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1p81 h ALA 557 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1p81 h ALA 557 CO -0.03 0.54 -0.07 0.28 0.00 0.00 0.00 179.25 179.96 1p81 h VAL 558 N 0.73 1.28 -0.84 0.00 2.07 -1.28 -2.88 116.25 115.33 1p81 h VAL 558 Ca 0.11 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.61 1p81 h VAL 558 Cb 0.68 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1p81 h VAL 558 CO 0.05 0.35 0.51 0.00 0.02 0.00 0.00 177.57 178.50 1p81 h ALA 559 N 0.78 1.18 -0.27 1.67 0.00 -0.51 -1.75 119.26 120.35 1p81 h ALA 559 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1p81 h ALA 559 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1p81 h ALA 559 CO 0.03 0.20 -0.09 -0.22 0.00 0.00 0.00 179.25 179.17 1p81 h LYS 560 N 0.90 0.44 0.00 0.00 3.64 -0.64 -0.31 116.57 120.59 1p81 h LYS 560 Ca 0.38 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1p81 h LYS 560 Cb 0.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1p81 h LYS 560 CO -0.20 0.54 0.00 -0.91 -2.27 0.00 0.00 179.45 176.61 1p81 h ASN 561 N 0.42 0.00 -0.04 4.20 2.35 -1.11 -2.92 115.58 118.48 1p81 h ASN 561 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1p81 h ASN 561 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1p81 h ASN 561 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 1p81 n LEU 562 N -2.45 2.61 -1.27 1.61 4.32 -0.75 -4.96 117.00 116.11 1p81 n LEU 562 Ca 0.03 -1.02 -0.12 0.00 -0.02 0.00 0.00 56.01 54.88 1p81 n LEU 562 Cb 0.34 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 42.12 1p81 n LEU 562 CO 0.26 0.46 -0.14 0.61 -1.22 0.00 0.00 177.39 177.35 1p81 n GLY 563 N 1.08 0.10 3.73 -0.72 0.00 -0.78 -5.01 105.19 103.59 1p81 n GLY 563 Ca 0.11 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1p81 n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 564 N -2.56 4.49 -0.21 -0.61 1.01 -0.20 -5.03 121.20 118.08 1p81 s ILE 564 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1p81 s ILE 564 Cb 0.00 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 1p81 s ILE 564 CO 0.00 0.47 -0.01 -1.61 0.00 0.00 0.00 174.94 173.79 1p81 s GLU 565 N -1.33 3.51 0.45 2.79 2.02 -1.26 -4.08 118.70 120.81 1p81 s GLU 565 Ca 0.18 -0.56 -0.24 0.00 0.02 0.00 0.00 54.97 54.37 1p81 s GLU 565 Cb -0.12 -3.07 -0.07 0.00 0.10 0.00 0.00 34.13 30.97 1p81 s GLU 565 CO 0.08 -0.10 1.22 -0.51 0.02 0.00 0.00 175.26 175.97 1p81 s LEU 566 N 1.28 4.05 0.72 1.80 2.01 -1.26 -4.99 118.68 122.29 1p81 s LEU 566 Ca 0.04 2.45 -0.11 0.00 0.01 0.00 0.00 54.13 56.52 1p81 s LEU 566 Cb -0.15 -4.15 0.03 0.00 0.01 0.00 0.00 46.19 41.94 1p81 s LEU 566 CO 0.00 -0.97 1.10 0.42 1.01 0.00 0.00 176.35 177.91 1p81 s THR 567 N -1.43 3.02 0.13 5.49 -4.23 -1.26 -4.87 115.64 112.48 1p81 s THR 567 Ca 0.63 0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 61.11 1p81 s THR 567 Cb -0.32 -3.32 -0.08 0.00 1.34 0.00 0.00 72.50 70.11 1p81 s THR 567 CO 0.40 -0.41 1.49 -2.24 -0.54 0.00 0.00 174.62 173.32 1p81 h ASP 568 N -0.72 -1.80 -0.58 3.99 2.03 -1.99 0.36 116.42 117.72 1p81 h ASP 568 Ca -0.45 0.25 0.07 0.00 -0.73 0.00 0.00 57.03 56.17 1p81 h ASP 568 Cb 1.28 0.76 -0.06 0.00 -0.83 0.00 0.00 39.33 40.48 1p81 h ASP 568 CO 0.64 -0.29 0.27 0.44 -1.03 0.00 0.00 179.24 179.26 1p81 h ASP 569 N -0.20 0.35 0.36 4.15 3.32 -1.98 -2.39 116.42 120.03 1p81 h ASP 569 Ca 0.10 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1p81 h ASP 569 Cb 0.46 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1p81 h ASP 569 CO -0.67 0.23 -0.32 1.56 -1.72 0.00 0.00 179.24 178.32 1p81 h GLN 570 N 0.50 0.00 0.00 3.56 4.20 -1.64 -2.35 115.11 119.37 1p81 h GLN 570 Ca 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1p81 h GLN 570 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1p81 h GLN 570 CO -0.22 0.32 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.15 1p81 h LEU 571 N 0.00 0.00 -2.58 1.46 4.07 -0.45 -3.02 115.31 114.79 1p81 h LEU 571 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1p81 h LEU 571 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1p81 h LEU 571 CO 0.04 0.03 0.00 0.59 -1.08 0.00 0.00 178.44 178.03 1p81 n ASN 572 N -3.14 3.61 -4.68 -0.43 3.02 -0.90 -4.95 115.26 107.80 1p81 n ASN 572 Ca 0.01 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 1p81 n ASN 572 Cb 0.35 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1p81 n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1p81 s ILE 573 N -1.17 3.12 0.14 2.41 1.01 -1.14 -4.94 121.20 120.64 1p81 s ILE 573 Ca 0.41 0.49 -0.31 0.00 0.00 0.00 0.00 60.65 61.25 1p81 s ILE 573 Cb 0.23 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 1p81 s ILE 573 CO 0.30 -0.01 1.42 -0.89 0.00 0.00 0.00 174.94 175.76 1p81 s THR 574 N 2.97 3.11 0.54 2.92 2.01 -1.26 -4.96 115.64 120.96 1p81 s THR 574 Ca 0.75 0.82 -0.22 0.00 0.31 0.00 0.00 61.69 63.35 1p81 s THR 574 Cb -0.39 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1p81 s THR 574 CO 0.32 0.07 1.35 -2.65 -0.69 0.00 0.00 174.62 173.03 1p81 n PRO 575 N 3.70 1.69 -0.98 4.92 -0.02 -1.26 -4.97 135.00 138.08 1p81 n PRO 575 Ca 0.11 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 1p81 n PRO 575 Cb 0.41 -2.56 0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1p81 n PRO 575 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1p81 s PRO 576 N -2.85 1.54 0.73 0.52 0.04 -1.26 -5.00 135.00 128.71 1p81 s PRO 576 Ca 0.71 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 1p81 s PRO 576 Cb -0.42 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1p81 s PRO 576 CO 0.50 -2.19 1.12 -1.25 0.04 0.00 0.00 177.00 175.21 1p81 s PRO 577 N -4.78 2.40 0.95 0.56 0.04 -1.26 -4.93 135.00 127.98 1p81 s PRO 577 Ca 0.64 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1p81 s PRO 577 Cb -0.20 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.60 1p81 s PRO 577 CO 0.57 -1.56 1.09 -0.51 0.04 0.00 0.00 177.00 176.63 1p81 s ASP 578 N -2.81 3.00 -0.45 6.66 -0.00 -1.26 -4.69 116.67 117.12 1p81 s ASP 578 Ca 0.66 1.41 -0.19 0.00 -0.00 0.00 0.00 52.55 54.43 1p81 s ASP 578 Cb -0.20 -2.08 0.03 0.00 -0.00 0.00 0.00 42.92 40.67 1p81 s ASP 578 CO 0.48 -2.93 0.54 -0.69 -0.00 0.00 0.00 175.17 172.57 1p81 s VAL 579 N -2.91 4.97 -1.62 -1.27 1.01 -1.10 -4.46 120.40 115.02 1p81 s VAL 579 Ca 0.64 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1p81 s VAL 579 Cb -0.19 -4.16 0.10 0.00 0.00 0.00 0.00 36.38 32.14 1p81 s VAL 579 CO 0.58 -0.58 0.58 0.59 0.00 0.00 0.00 175.10 176.27 1p81 n ASN 580 N 5.91 -1.85 0.00 3.32 4.13 -1.26 -0.99 115.26 124.52 1p81 n ASN 580 Ca -0.06 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.14 1p81 n ASN 580 Cb 0.47 -2.62 0.00 0.00 -1.54 0.00 0.00 39.78 36.09 1p81 n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p81 n GLY 581 N -1.68 1.68 3.74 7.41 0.00 -1.26 -5.04 105.19 110.04 1p81 n GLY 581 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1p81 n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p81 s LEU 582 N 0.00 4.49 0.00 0.99 1.43 -0.17 -4.94 118.68 120.49 1p81 s LEU 582 Ca 0.00 1.61 0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1p81 s LEU 582 Cb 0.00 -3.37 0.28 0.00 0.03 0.00 0.00 46.19 43.13 1p81 s LEU 582 CO 0.00 0.02 1.19 2.29 0.23 0.00 0.00 176.35 180.08 1p81 n LYS 583 N 2.60 2.42 0.00 1.70 0.00 -1.26 -2.73 118.16 120.90 1p81 n LYS 583 Ca -0.01 -1.92 0.00 0.00 -0.00 0.00 0.00 58.31 56.38 1p81 n LYS 583 Cb 0.50 -1.28 0.00 0.00 -0.00 0.00 0.00 35.03 34.25 1p81 n LYS 583 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1p81 n LYS 584 N 0.60 0.00 -3.28 -1.58 2.85 -1.26 -4.71 118.16 110.78 1p81 n LYS 584 Ca 0.11 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.31 1p81 n LYS 584 Cb 0.41 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.74 1p81 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1p81 s ASP 585 N 0.00 -0.12 0.64 -5.58 3.68 -1.26 -5.01 116.67 109.01 1p81 s ASP 585 Ca 0.00 0.05 0.33 0.00 2.13 0.00 0.00 52.55 55.07 1p81 s ASP 585 Cb 0.00 1.35 1.85 0.00 -1.45 0.00 0.00 42.92 44.67 1p81 s ASP 585 CO 0.00 -0.32 2.10 -0.65 0.13 0.00 0.00 175.17 176.43 1p81 h PRO 586 N 8.13 0.00 0.00 4.34 0.10 -1.97 -1.18 132.00 141.41 1p81 h PRO 586 Ca -0.13 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.97 1p81 h PRO 586 Cb 1.14 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1p81 h PRO 586 CO 0.25 0.00 0.00 -1.13 0.10 0.00 0.00 178.00 177.22 1p81 n SER 587 N -3.28 0.00 0.05 -2.05 3.41 -1.26 -2.01 113.62 108.47 1p81 n SER 587 Ca -0.01 0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 1p81 n SER 587 Cb 0.30 -0.32 0.08 0.00 -0.26 0.00 0.00 64.21 64.01 1p81 n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p81 n LEU 588 N -1.32 0.65 -4.83 1.04 4.77 -0.45 -4.87 117.00 112.00 1p81 n LEU 588 Ca 0.06 0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 1p81 n LEU 588 Cb 0.11 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1p81 n LEU 588 CO 0.10 -0.01 0.50 -0.55 -1.33 0.00 0.00 177.39 176.09 1p81 s SER 589 N -4.16 6.92 0.09 -1.43 0.15 -0.85 -4.92 113.70 109.51 1p81 s SER 589 Ca 0.04 1.46 -0.12 0.00 0.70 0.00 0.00 55.95 58.03 1p81 s SER 589 Cb 0.14 -2.44 -0.19 0.00 -1.71 0.00 0.00 66.02 61.82 1p81 s SER 589 CO 0.77 -0.19 1.24 -0.07 1.20 0.00 0.00 173.24 176.19 1p81 h LEU 590 N 2.47 0.85 0.00 3.45 3.38 -1.89 -3.41 115.31 120.16 1p81 h LEU 590 Ca -0.48 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 56.84 1p81 h LEU 590 Cb 1.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1p81 h LEU 590 CO 0.64 1.45 -0.06 -1.22 0.09 0.00 0.00 178.44 179.35 1p81 n TYR 591 N -3.85 0.00 -0.25 1.13 4.01 -1.26 -4.70 117.16 112.24 1p81 n TYR 591 Ca -0.09 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1p81 n TYR 591 Cb 0.84 -0.00 0.18 0.00 -0.31 0.00 0.00 39.34 40.05 1p81 n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1p81 h ALA 592 N 0.06 1.03 -3.12 -0.72 0.00 -1.86 -3.34 119.26 111.31 1p81 h ALA 592 Ca 0.00 0.11 -0.69 0.00 0.00 0.00 0.00 54.91 54.33 1p81 h ALA 592 Cb 0.01 0.09 -0.28 0.00 0.00 0.00 0.00 17.79 17.61 1p81 h ALA 592 CO 0.00 -0.21 -0.61 0.42 0.00 0.00 0.00 179.25 178.85 1p81 s ILE 593 N -6.03 3.83 -0.19 0.00 1.01 -1.26 -5.07 121.20 113.49 1p81 s ILE 593 Ca -0.12 -1.04 -0.41 0.00 0.00 0.00 0.00 60.65 59.07 1p81 s ILE 593 Cb 0.20 -3.13 -0.19 0.00 0.01 0.00 0.00 42.46 39.35 1p81 s ILE 593 CO 0.76 -0.13 1.23 -2.65 0.00 0.00 0.00 174.94 174.15 1p81 n PRO 594 N 4.83 0.00 0.00 2.79 -0.02 -1.26 -4.87 135.00 136.48 1p81 n PRO 594 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1p81 n PRO 594 Cb 0.45 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1p81 n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1p81 n ASP 595 N 2.38 0.00 -4.51 2.55 5.75 -1.26 -5.13 116.55 116.33 1p81 n ASP 595 Ca 0.23 -1.00 -0.35 0.00 -0.01 0.00 0.00 54.79 53.66 1p81 n ASP 595 Cb 0.02 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.21 1p81 n ASP 595 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p81 n GLY 596 N 0.00 -1.25 2.97 6.12 0.00 -1.26 -4.15 105.19 107.63 1p81 n GLY 596 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1p81 n GLY 596 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p81 s ASP 597 N -1.72 0.23 0.15 1.61 -1.08 -1.24 -4.93 116.67 109.68 1p81 s ASP 597 Ca 0.66 0.48 0.24 0.00 -0.52 0.00 0.00 52.55 53.41 1p81 s ASP 597 Cb -0.31 0.47 0.37 0.00 -1.46 0.00 0.00 42.92 41.99 1p81 s ASP 597 CO 0.58 -0.21 1.36 -0.37 0.52 0.00 0.00 175.17 177.05 1p81 h VAL 598 N 6.18 0.00 -2.55 1.11 -1.51 -1.88 -3.45 116.25 114.15 1p81 h VAL 598 Ca -0.24 -0.54 -0.52 0.00 -1.23 0.00 0.00 66.70 64.16 1p81 h VAL 598 Cb 1.13 1.18 0.04 0.00 -2.13 0.00 0.00 31.29 31.51 1p81 h VAL 598 CO 0.23 0.00 1.10 -0.75 -1.23 0.00 0.00 177.57 176.92 1p81 s LYS 599 N -3.18 4.13 0.00 5.19 2.20 -1.25 -1.21 119.74 125.62 1p81 s LYS 599 Ca 0.06 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1p81 s LYS 599 Cb 0.13 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1p81 s LYS 599 CO 0.71 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1p81 n GLY 600 N 4.21 2.11 3.65 5.54 0.00 -0.20 -4.98 105.19 115.52 1p81 n GLY 600 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1p81 n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p81 s ARG 601 N -0.80 0.42 -0.01 1.61 1.81 -0.35 -4.79 118.95 116.83 1p81 s ARG 601 Ca 0.00 0.71 0.02 0.00 -1.72 0.00 0.00 55.73 54.74 1p81 s ARG 601 Cb 0.00 -1.72 -0.00 0.00 -0.45 0.00 0.00 34.95 32.78 1p81 s ARG 601 CO 0.00 -2.78 -0.07 0.08 -0.68 0.00 0.00 175.30 171.84 1p81 s VAL 602 N -2.85 0.62 -0.01 3.52 1.01 -1.26 -1.21 120.40 120.22 1p81 s VAL 602 Ca 0.65 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1p81 s VAL 602 Cb -0.20 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1p81 s VAL 602 CO 0.59 0.19 -0.14 -0.69 0.00 0.00 0.00 175.10 175.05 1p81 s VAL 603 N 0.02 3.10 -0.15 2.92 1.01 0.20 -0.63 120.40 126.88 1p81 s VAL 603 Ca -0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1p81 s VAL 603 Cb -0.05 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1p81 s VAL 603 CO -0.00 0.48 0.34 0.00 0.00 0.00 0.00 175.10 175.92 1p81 s ALA 604 N -0.84 3.56 -0.26 5.51 0.00 -0.48 -0.98 121.76 128.27 1p81 s ALA 604 Ca 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1p81 s ALA 604 Cb -0.11 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1p81 s ALA 604 CO 0.03 0.07 -0.01 0.42 0.00 0.00 0.00 175.76 176.27 1p81 s ILE 605 N 0.51 3.33 -0.39 0.00 1.01 -0.41 -1.12 121.20 124.13 1p81 s ILE 605 Ca 0.19 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.78 1p81 s ILE 605 Cb -0.13 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1p81 s ILE 605 CO 0.05 0.19 0.77 -0.76 0.00 0.00 0.00 174.94 175.20 1p81 s LEU 606 N 1.41 4.18 0.53 2.97 1.43 -0.65 -1.84 118.68 126.71 1p81 s LEU 606 Ca 0.02 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1p81 s LEU 606 Cb -0.16 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 1p81 s LEU 606 CO -0.02 -0.77 0.83 -0.76 0.23 0.00 0.00 176.35 175.86 1p81 s LEU 607 N 3.12 3.42 0.39 1.79 1.43 -0.63 -4.26 118.68 123.94 1p81 s LEU 607 Ca 0.30 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 1p81 s LEU 607 Cb -0.13 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1p81 s LEU 607 CO 0.18 -0.86 0.16 0.54 0.23 0.00 0.00 176.35 176.61 1p81 s ASN 608 N -4.23 2.52 0.00 2.29 2.20 -1.26 -4.82 114.94 111.64 1p81 s ASN 608 Ca 0.51 -1.70 0.29 0.00 -0.94 0.00 0.00 52.86 51.03 1p81 s ASN 608 Cb -0.10 0.53 1.49 0.00 -2.00 0.00 0.00 41.25 41.16 1p81 s ASN 608 CO 0.44 -0.97 2.02 -0.90 -2.94 0.00 0.00 177.10 174.76 1p81 n ASP 609 N -1.36 0.00 -3.02 3.54 3.85 -1.26 -4.10 116.55 114.21 1p81 n ASP 609 Ca -0.03 -0.15 -0.17 0.00 -0.71 0.00 0.00 54.79 53.73 1p81 n ASP 609 Cb 0.64 -0.28 -0.01 0.00 -1.35 0.00 0.00 41.12 40.12 1p81 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1p81 n GLU 610 N -1.28 0.80 -1.95 0.11 4.07 -1.26 -4.18 120.64 116.95 1p81 n GLU 610 Ca 0.14 -2.69 -0.41 0.00 -0.06 0.00 0.00 57.16 54.14 1p81 n GLU 610 Cb 0.23 -1.35 -0.01 0.00 -0.06 0.00 0.00 31.44 30.25 1p81 n GLU 610 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1p81 s VAL 611 N -0.70 2.37 -0.84 6.31 1.01 -1.26 -1.75 120.40 125.53 1p81 s VAL 611 Ca 0.34 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.43 1p81 s VAL 611 Cb 0.23 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 1p81 s VAL 611 CO -0.14 0.09 2.09 -0.13 0.00 0.00 0.00 175.10 177.01 1p81 s ARG 612 N -1.96 2.27 0.48 2.72 3.00 -0.51 -1.60 118.95 123.35 1p81 s ARG 612 Ca 0.51 0.03 0.32 0.00 0.00 0.00 0.00 55.73 56.59 1p81 s ARG 612 Cb -0.43 -4.93 1.43 0.00 0.00 0.00 0.00 34.95 31.01 1p81 s ARG 612 CO 0.58 -3.65 1.73 0.66 0.00 0.00 0.00 175.30 174.62 1p81 h SER 613 N 12.13 0.17 -0.02 0.23 4.64 -1.91 0.24 113.55 129.03 1p81 h SER 613 Ca 0.04 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1p81 h SER 613 Cb 1.02 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1p81 h SER 613 CO 1.15 -0.01 -0.12 0.00 -0.87 0.00 0.00 176.83 176.98 1p81 h ALA 614 N 1.46 1.46 0.17 5.18 0.00 -1.99 -2.04 119.26 123.49 1p81 h ALA 614 Ca 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1p81 h ALA 614 Cb 2.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1p81 h ALA 614 CO -0.17 0.38 -0.08 -0.44 0.00 0.00 0.00 179.25 178.93 1p81 h ASP 615 N 0.28 -0.20 -0.81 0.00 3.45 -0.88 -2.87 116.42 115.40 1p81 h ASP 615 Ca 0.06 -0.30 0.15 0.00 0.43 0.00 0.00 57.03 57.36 1p81 h ASP 615 Cb 0.38 0.05 -0.09 0.00 -0.56 0.00 0.00 39.33 39.11 1p81 h ASP 615 CO 0.02 0.24 0.38 -0.07 -1.57 0.00 0.00 179.24 178.24 1p81 h LEU 616 N -0.68 0.42 -0.21 1.55 3.38 -1.44 0.24 115.31 118.56 1p81 h LEU 616 Ca -0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1p81 h LEU 616 Cb 0.49 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1p81 h LEU 616 CO 0.04 0.17 0.11 -0.07 0.09 0.00 0.00 178.44 178.78 1p81 h LEU 617 N 0.54 0.27 -0.60 1.67 3.38 -1.40 0.18 115.31 119.35 1p81 h LEU 617 Ca 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1p81 h LEU 617 Cb 0.65 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1p81 h LEU 617 CO -0.38 0.29 0.33 0.00 0.09 0.00 0.00 178.44 178.78 1p81 h ALA 618 N 0.99 0.77 0.59 1.53 0.00 -1.05 -0.93 119.26 121.16 1p81 h ALA 618 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1p81 h ALA 618 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1p81 h ALA 618 CO -0.01 0.29 -0.45 0.82 0.00 0.00 0.00 179.25 179.89 1p81 h ILE 619 N 0.82 0.00 0.00 0.00 2.04 -0.22 -2.54 117.51 117.60 1p81 h ILE 619 Ca 0.21 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 1p81 h ILE 619 Cb 0.04 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1p81 h ILE 619 CO -0.03 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.78 1p81 h LEU 620 N -1.00 0.00 -0.24 1.44 3.38 -0.97 -2.18 115.31 115.74 1p81 h LEU 620 Ca -0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1p81 h LEU 620 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1p81 h LEU 620 CO 0.02 0.27 -0.44 0.50 0.09 0.00 0.00 178.44 178.88 1p81 h LYS 621 N 0.00 0.71 -0.39 1.13 3.64 -1.10 -2.41 116.57 118.16 1p81 h LYS 621 Ca -0.00 -0.45 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 1p81 h LYS 621 Cb 0.59 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1p81 h LYS 621 CO 0.03 1.07 -0.10 0.00 -2.27 0.00 0.00 179.45 178.19 1p81 h ALA 622 N 0.63 0.54 -0.10 5.00 0.00 -1.24 -2.44 119.26 121.66 1p81 h ALA 622 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1p81 h ALA 622 Cb 1.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1p81 h ALA 622 CO 0.10 0.41 0.06 -0.07 0.00 0.00 0.00 179.25 179.75 1p81 h LEU 623 N 0.57 0.11 -1.60 0.00 3.38 -1.45 -2.91 115.31 113.40 1p81 h LEU 623 Ca 0.10 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1p81 h LEU 623 Cb 0.62 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1p81 h LEU 623 CO 0.04 0.12 0.34 0.50 0.09 0.00 0.00 178.44 179.53 1p81 h LYS 624 N 0.10 0.49 0.00 1.13 3.64 -1.39 -0.43 116.57 120.12 1p81 h LYS 624 Ca 0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1p81 h LYS 624 Cb 0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1p81 h LYS 624 CO -0.01 0.32 -0.27 0.00 -2.27 0.00 0.00 179.45 177.23 1p81 h ALA 625 N 1.72 1.34 -0.10 5.00 0.00 -1.25 -2.51 119.26 123.46 1p81 h ALA 625 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p81 h ALA 625 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1p81 h ALA 625 CO -0.06 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.16 1p81 n LYS 626 N -3.90 2.21 -1.04 0.00 4.76 -0.25 -4.96 118.16 114.97 1p81 n LYS 626 Ca -0.02 -1.77 -0.02 0.00 -2.87 0.00 0.00 58.31 53.64 1p81 n LYS 626 Cb 0.35 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 1p81 n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p81 n GLY 627 N 1.33 0.51 3.74 0.72 0.00 -0.71 -3.79 105.19 106.99 1p81 n GLY 627 Ca 0.16 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1p81 n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p81 s VAL 628 N -2.05 5.23 0.54 1.61 1.01 -0.70 -1.04 120.40 125.00 1p81 s VAL 628 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 1p81 s VAL 628 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1p81 s VAL 628 CO 0.00 0.39 0.83 -1.00 0.00 0.00 0.00 175.10 175.32 1p81 s HIS 629 N 0.31 3.27 0.03 5.22 3.76 -0.35 -4.05 115.29 123.49 1p81 s HIS 629 Ca 0.21 0.54 0.02 0.00 -0.15 0.00 0.00 55.06 55.69 1p81 s HIS 629 Cb -0.14 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1p81 s HIS 629 CO 0.08 -0.65 -0.08 0.00 -0.85 0.00 0.00 174.74 173.24 1p81 s ALA 630 N -2.85 0.63 -0.11 -1.40 0.00 -1.26 -0.63 121.76 116.14 1p81 s ALA 630 Ca 0.52 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1p81 s ALA 630 Cb -0.10 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1p81 s ALA 630 CO 0.43 0.05 -0.11 -1.59 0.00 0.00 0.00 175.76 174.54 1p81 s LYS 631 N -1.11 1.83 -0.36 0.00 -2.85 -0.15 -4.92 119.74 112.18 1p81 s LYS 631 Ca -0.05 -0.39 -0.21 0.00 -1.00 0.00 0.00 55.97 54.32 1p81 s LYS 631 Cb -0.07 -1.70 0.00 0.00 -2.06 0.00 0.00 37.83 34.00 1p81 s LYS 631 CO 0.00 -0.17 0.67 -0.51 0.10 0.00 0.00 175.35 175.45 1p81 s LEU 632 N 1.34 4.23 0.06 2.77 1.43 -1.26 -1.28 118.68 125.96 1p81 s LEU 632 Ca -0.01 0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1p81 s LEU 632 Cb -0.14 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1p81 s LEU 632 CO -0.05 -0.63 -0.07 -0.76 0.23 0.00 0.00 176.35 175.07 1p81 s LEU 633 N 2.80 3.14 0.00 1.79 1.02 -0.77 -0.56 118.68 126.10 1p81 s LEU 633 Ca 0.26 -0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.17 1p81 s LEU 633 Cb -0.14 -1.87 -0.00 0.00 0.02 0.00 0.00 46.19 44.20 1p81 s LEU 633 CO 0.15 0.23 0.15 0.00 0.02 0.00 0.00 176.35 176.90 1p81 n TYR 634 N 1.09 -0.61 1.38 0.29 9.36 -0.77 -1.60 117.16 126.30 1p81 n TYR 634 Ca -0.14 -0.97 0.14 0.00 3.32 0.00 0.00 57.90 60.24 1p81 n TYR 634 Cb 0.52 0.17 0.50 0.00 -0.63 0.00 0.00 39.34 39.91 1p81 n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p81 n SER 635 N -2.18 0.94 -3.79 2.98 3.41 -1.26 -1.59 113.62 112.14 1p81 n SER 635 Ca 0.01 -0.96 -0.09 0.00 -0.26 0.00 0.00 58.87 57.57 1p81 n SER 635 Cb 0.23 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1p81 n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p81 s ARG 636 N -2.35 1.39 0.84 4.33 1.70 -1.26 -4.90 118.95 118.70 1p81 s ARG 636 Ca 0.30 -0.93 -0.08 0.00 -0.47 0.00 0.00 55.73 54.54 1p81 s ARG 636 Cb 0.20 0.51 0.16 0.00 -0.57 0.00 0.00 34.95 35.25 1p81 s ARG 636 CO 0.46 -0.59 1.15 -1.64 -1.08 0.00 0.00 175.30 173.60 1p81 s MET 637 N -3.90 1.19 0.00 3.89 -1.94 -1.26 -4.74 119.30 112.54 1p81 s MET 637 Ca 0.11 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 1p81 s MET 637 Cb -0.01 -2.09 0.00 0.00 2.01 0.00 0.00 34.83 34.74 1p81 s MET 637 CO -0.01 -1.91 0.00 0.41 -0.01 0.00 0.00 175.02 173.50 1p81 n GLY 638 N -3.28 0.80 3.36 -0.03 0.00 -1.26 -4.99 105.19 99.78 1p81 n GLY 638 Ca 0.15 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 1p81 n GLY 638 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p81 s GLU 639 N 0.00 1.13 0.34 1.61 -1.05 -1.26 -1.57 118.70 117.90 1p81 s GLU 639 Ca 0.00 -0.75 0.06 0.00 -0.15 0.00 0.00 54.97 54.13 1p81 s GLU 639 Cb 0.00 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.10 1p81 s GLU 639 CO 0.00 -0.45 0.01 0.14 0.95 0.00 0.00 175.26 175.91 1p81 s VAL 640 N -3.82 1.56 -0.13 1.83 -7.23 -0.51 -4.96 120.40 107.14 1p81 s VAL 640 Ca 0.05 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1p81 s VAL 640 Cb 0.01 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.22 1p81 s VAL 640 CO -0.10 -0.09 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.59 1p81 s THR 641 N -3.04 1.36 1.00 5.32 2.01 -1.26 -0.65 115.64 120.38 1p81 s THR 641 Ca 0.34 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 1p81 s THR 641 Cb 0.08 -1.30 0.19 0.00 0.01 0.00 0.00 72.50 71.47 1p81 s THR 641 CO 0.15 0.42 1.12 0.00 -0.69 0.00 0.00 174.62 175.63 1p81 s ALA 642 N 1.47 1.22 0.29 7.40 0.00 0.11 -4.19 121.76 128.05 1p81 s ALA 642 Ca 0.03 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1p81 s ALA 642 Cb -0.13 -3.04 0.71 0.00 0.00 0.00 0.00 23.12 20.66 1p81 s ALA 642 CO -0.08 -2.76 1.74 0.38 0.00 0.00 0.00 175.76 175.04 1p81 h ASP 643 N -1.86 0.55 -0.02 0.00 3.04 -1.53 -0.35 116.42 116.25 1p81 h ASP 643 Ca -0.52 0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 1p81 h ASP 643 Cb 1.32 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.66 1p81 h ASP 643 CO 0.55 0.14 0.00 -0.90 -2.04 0.00 0.00 179.24 176.99 1p81 n ASP 644 N -4.91 0.60 0.00 4.15 3.85 -1.26 -4.90 116.55 114.09 1p81 n ASP 644 Ca 0.22 -1.26 0.00 0.00 -0.71 0.00 0.00 54.79 53.03 1p81 n ASP 644 Cb 0.59 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.35 1p81 n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p81 n GLY 645 N 1.04 0.53 3.71 6.12 0.00 -0.14 -5.05 105.19 111.39 1p81 n GLY 645 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1p81 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p81 s THR 646 N -2.12 3.49 -0.38 2.61 2.01 -1.26 -4.72 115.64 115.28 1p81 s THR 646 Ca 0.00 1.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.82 1p81 s THR 646 Cb 0.00 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1p81 s THR 646 CO 0.00 0.06 0.68 -0.69 -0.69 0.00 0.00 174.62 173.98 1p81 s VAL 647 N 1.47 4.83 -0.34 3.82 1.01 -1.26 0.05 120.40 129.97 1p81 s VAL 647 Ca 0.64 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 1p81 s VAL 647 Cb -0.35 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1p81 s VAL 647 CO 0.29 -0.41 0.22 -0.76 0.00 0.00 0.00 175.10 174.44 1p81 s LEU 648 N 2.86 4.49 0.11 3.92 1.43 0.18 -4.97 118.68 126.70 1p81 s LEU 648 Ca 0.26 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.52 1p81 s LEU 648 Cb -0.14 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 1p81 s LEU 648 CO 0.16 -0.26 1.24 -2.16 0.23 0.00 0.00 176.35 175.57 1p81 s PRO 649 N 1.68 4.43 -0.15 1.29 0.04 -1.26 -1.43 135.00 139.60 1p81 s PRO 649 Ca 0.05 1.86 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 1p81 s PRO 649 Cb -0.18 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1p81 s PRO 649 CO 0.09 -0.24 0.52 0.42 0.04 0.00 0.00 177.00 177.82 1p81 s ILE 650 N 0.74 5.14 0.01 0.56 1.01 -0.61 -4.80 121.20 123.26 1p81 s ILE 650 Ca 0.58 1.00 -0.09 0.00 0.00 0.00 0.00 60.65 62.14 1p81 s ILE 650 Cb -0.32 -3.85 -0.31 0.00 0.01 0.00 0.00 42.46 37.99 1p81 s ILE 650 CO 0.32 0.26 0.91 0.00 0.00 0.00 0.00 174.94 176.42 1p81 h ALA 651 N 7.02 0.08 -2.49 9.38 0.00 -1.17 -3.41 119.26 128.67 1p81 h ALA 651 Ca -0.38 -1.00 0.15 0.00 0.00 0.00 0.00 54.91 53.68 1p81 h ALA 651 Cb 1.17 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 1p81 h ALA 651 CO 0.75 0.95 0.42 0.00 0.00 0.00 0.00 179.25 181.38 1p81 s ALA 652 N -2.61 -1.57 0.71 0.00 0.00 -1.23 -5.04 121.76 112.02 1p81 s ALA 652 Ca -0.10 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 1p81 s ALA 652 Cb 0.06 0.68 0.07 0.00 0.00 0.00 0.00 23.12 23.93 1p81 s ALA 652 CO 0.89 -1.02 1.01 0.95 0.00 0.00 0.00 175.76 177.59 1p81 s THR 653 N -3.42 2.28 0.25 0.00 -4.23 -1.26 -1.86 115.64 107.41 1p81 s THR 653 Ca 0.12 -0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1p81 s THR 653 Cb -0.02 -2.96 0.20 0.00 1.34 0.00 0.00 72.50 71.05 1p81 s THR 653 CO 0.03 0.00 1.86 -0.26 -0.54 0.00 0.00 174.62 175.70 1p81 h PHE 654 N -0.60 1.10 0.04 3.99 0.05 -1.63 -2.08 116.94 117.81 1p81 h PHE 654 Ca -0.43 -0.05 -0.23 0.00 3.82 0.00 0.00 57.97 61.08 1p81 h PHE 654 Cb 1.30 -0.35 -0.02 0.00 2.00 0.00 0.00 35.95 38.89 1p81 h PHE 654 CO 0.18 0.80 -1.10 0.00 -0.18 0.00 0.00 178.31 178.01 1p81 h ALA 655 N 1.31 0.28 -0.20 2.45 0.00 -1.92 -3.31 119.26 117.88 1p81 h ALA 655 Ca 0.27 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1p81 h ALA 655 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1p81 h ALA 655 CO -0.04 1.17 -0.28 0.78 0.00 0.00 0.00 179.25 180.88 1p81 h GLY 656 N 2.56 0.41 -6.43 0.00 0.00 -1.88 -3.36 103.07 94.38 1p81 h GLY 656 Ca -0.06 -0.34 -0.59 0.00 0.00 0.00 0.00 47.33 46.34 1p81 h GLY 656 CO 0.15 0.31 -0.88 0.00 0.00 0.00 0.00 176.54 176.12 1p81 n ALA 657 N -2.48 3.00 -0.73 3.60 0.00 -0.80 -4.87 120.51 118.22 1p81 n ALA 657 Ca -0.01 -3.61 -0.32 0.00 0.00 0.00 0.00 53.44 49.50 1p81 n ALA 657 Cb 0.41 -0.83 0.15 0.00 0.00 0.00 0.00 19.45 19.17 1p81 n ALA 657 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1p81 n PRO 658 N 2.19 -0.59 0.23 0.00 -0.02 -1.25 -4.85 135.00 130.72 1p81 n PRO 658 Ca 0.26 -0.13 0.16 0.00 -2.02 0.00 0.00 63.50 61.78 1p81 n PRO 658 Cb 0.46 -1.98 0.85 0.00 -0.02 0.00 0.00 33.50 32.80 1p81 n PRO 658 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1p81 h SER 659 N -1.76 0.00 -0.98 2.55 4.64 -1.85 -1.77 113.55 114.37 1p81 h SER 659 Ca -0.45 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.10 1p81 h SER 659 Cb 1.29 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.30 1p81 h SER 659 CO 0.37 0.00 0.64 -0.07 -0.87 0.00 0.00 176.83 176.90 1p81 h LEU 660 N 0.00 0.46 -0.13 5.97 3.38 -1.95 -1.74 115.31 121.30 1p81 h LEU 660 Ca 0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1p81 h LEU 660 Cb 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1p81 h LEU 660 CO -0.00 0.14 -0.07 0.35 0.09 0.00 0.00 178.44 178.95 1p81 n THR 661 N -4.58 0.00 -4.45 0.22 -2.24 -0.67 -4.90 114.28 97.67 1p81 n THR 661 Ca 0.23 -0.03 -0.25 0.00 -2.27 0.00 0.00 64.05 61.72 1p81 n THR 661 Cb 0.78 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 1p81 n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1p81 s VAL 662 N -2.52 2.41 -0.15 2.28 -7.23 -0.66 -4.95 120.40 109.57 1p81 s VAL 662 Ca 0.28 -2.10 0.22 0.00 -1.81 0.00 0.00 61.98 58.58 1p81 s VAL 662 Cb 0.20 -2.72 -0.14 0.00 0.56 0.00 0.00 36.38 34.28 1p81 s VAL 662 CO 0.47 -0.20 0.81 0.47 -0.31 0.00 0.00 175.10 176.35 1p81 n ASP 663 N -0.87 0.50 -3.65 4.85 9.92 0.20 -5.00 116.55 122.50 1p81 n ASP 663 Ca -0.05 0.19 -0.10 0.00 -0.53 0.00 0.00 54.79 54.31 1p81 n ASP 663 Cb 0.63 1.09 -0.02 0.00 -0.64 0.00 0.00 41.12 42.17 1p81 n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p81 s ALA 664 N -3.43 -1.32 -0.05 2.24 0.00 -1.20 -4.22 121.76 113.78 1p81 s ALA 664 Ca -0.04 0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1p81 s ALA 664 Cb 0.11 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.12 1p81 s ALA 664 CO 0.84 -0.87 -0.07 0.08 0.00 0.00 0.00 175.76 175.73 1p81 s VAL 665 N -3.84 0.74 -0.09 0.00 1.01 -0.86 -1.38 120.40 115.98 1p81 s VAL 665 Ca 0.06 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1p81 s VAL 665 Cb -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1p81 s VAL 665 CO -0.04 0.26 -0.20 -0.63 0.00 0.00 0.00 175.10 174.49 1p81 s ILE 666 N 0.72 1.78 -0.25 2.22 1.01 -0.28 -0.78 121.20 125.63 1p81 s ILE 666 Ca -0.12 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1p81 s ILE 666 Cb -0.14 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.82 1p81 s ILE 666 CO 0.01 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 174.67 1p81 s VAL 667 N 0.50 1.90 0.56 2.92 1.01 -0.16 -1.63 120.40 125.49 1p81 s VAL 667 Ca -0.16 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 60.21 1p81 s VAL 667 Cb -0.17 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 1p81 s VAL 667 CO 0.06 -0.05 1.02 -2.16 0.00 0.00 0.00 175.10 173.98 1p81 s PRO 668 N 1.23 3.61 0.67 2.72 0.04 -1.26 -1.35 135.00 140.66 1p81 s PRO 668 Ca -0.07 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 1p81 s PRO 668 Cb -0.19 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.43 1p81 s PRO 668 CO -0.06 -0.56 0.57 0.00 0.04 0.00 0.00 177.00 176.99 1p81 n GLY 670 N -1.60 0.38 3.50 0.00 0.00 -1.26 -1.42 105.19 104.79 1p81 n GLY 670 Ca 0.08 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.16 1p81 n GLY 670 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p81 s ASN 671 N -4.00 6.94 0.38 1.61 2.47 -0.72 -4.82 114.94 116.81 1p81 s ASN 671 Ca 0.00 -2.69 0.06 0.00 0.42 0.00 0.00 52.86 50.65 1p81 s ASN 671 Cb 0.00 -2.46 0.77 0.00 -1.45 0.00 0.00 41.25 38.11 1p81 s ASN 671 CO 0.00 -0.93 2.01 0.40 -3.72 0.00 0.00 177.10 174.86 1p81 h ILE 672 N 5.12 1.08 -1.01 -5.21 1.08 -1.91 -2.55 117.51 114.11 1p81 h ILE 672 Ca 0.34 -0.24 0.35 0.00 -0.39 0.00 0.00 64.86 64.92 1p81 h ILE 672 Cb 0.89 0.32 -0.16 0.00 -3.07 0.00 0.00 36.82 34.81 1p81 h ILE 672 CO 1.31 0.13 0.57 0.00 -0.69 0.00 0.00 178.15 179.47 1p81 h ALA 673 N 1.66 2.03 -0.89 1.87 0.00 -1.96 0.50 119.26 122.47 1p81 h ALA 673 Ca 0.23 0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.50 1p81 h ALA 673 Cb 0.07 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1p81 h ALA 673 CO -0.06 -0.69 0.58 0.22 0.00 0.00 0.00 179.25 179.30 1p81 h ASP 674 N 0.24 0.62 0.00 0.00 -0.00 -1.87 -3.28 116.42 112.13 1p81 h ASP 674 Ca 0.76 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.84 1p81 h ASP 674 Cb 1.84 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 41.09 1p81 h ASP 674 CO -0.64 0.30 0.00 2.30 -0.00 0.00 0.00 179.24 181.20 1p81 n ILE 675 N -4.57 0.00 0.22 2.25 -5.35 0.14 -4.74 119.36 107.31 1p81 n ILE 675 Ca 0.18 -0.46 0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1p81 n ILE 675 Cb 0.51 1.06 0.77 0.00 -1.74 0.00 0.00 39.64 40.24 1p81 n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1p81 h ALA 676 N 0.00 1.89 -0.31 -1.28 0.00 -0.62 -0.51 119.26 118.43 1p81 h ALA 676 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p81 h ALA 676 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1p81 h ALA 676 CO 0.00 -0.18 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 1p81 n ASP 677 N -4.12 2.99 -4.60 0.00 10.43 -1.26 -4.92 116.55 115.07 1p81 n ASP 677 Ca 0.00 -2.14 -0.43 0.00 2.57 0.00 0.00 54.79 54.80 1p81 n ASP 677 Cb 0.23 -0.26 -0.02 0.00 1.84 0.00 0.00 41.12 42.91 1p81 n ASP 677 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1p81 s ASN 678 N -1.13 6.66 0.35 -2.24 3.84 -0.20 -4.90 114.94 117.31 1p81 s ASN 678 Ca 0.24 0.50 0.07 0.00 0.21 0.00 0.00 52.86 53.88 1p81 s ASN 678 Cb 0.14 -2.52 0.75 0.00 -0.55 0.00 0.00 41.25 39.07 1p81 s ASN 678 CO 0.14 -1.13 1.90 1.23 -2.79 0.00 0.00 177.10 176.44 1p81 h GLY 679 N 10.85 1.16 1.13 1.21 0.00 -1.92 0.66 103.07 116.16 1p81 h GLY 679 Ca -0.23 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 1p81 h GLY 679 CO 1.09 0.16 -0.31 -0.55 0.00 0.00 0.00 176.54 176.93 1p81 h ASP 680 N 0.76 1.01 -0.41 0.19 3.45 -1.95 0.12 116.42 119.58 1p81 h ASP 680 Ca 0.40 -0.43 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 1p81 h ASP 680 Cb 0.52 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1p81 h ASP 680 CO -0.17 1.23 0.08 0.00 -1.57 0.00 0.00 179.24 178.81 1p81 h ALA 681 N 0.83 0.54 -0.29 3.45 0.00 -1.39 -0.47 119.26 121.93 1p81 h ALA 681 Ca 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1p81 h ALA 681 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1p81 h ALA 681 CO 0.08 0.24 0.04 -0.91 0.00 0.00 0.00 179.25 178.71 1p81 h ASN 682 N 0.53 0.47 -0.45 0.00 2.35 -0.86 -3.06 115.58 114.55 1p81 h ASN 682 Ca 0.13 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1p81 h ASN 682 Cb 0.35 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1p81 h ASN 682 CO 0.01 0.62 0.27 0.22 -1.65 0.00 0.00 177.43 176.89 1p81 h TYR 683 N 0.30 0.62 -0.64 1.19 5.03 -0.51 -2.09 116.97 120.87 1p81 h TYR 683 Ca 0.09 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.49 1p81 h TYR 683 Cb 0.36 -0.20 -0.07 0.00 1.55 0.00 0.00 36.73 38.36 1p81 h TYR 683 CO 0.02 0.43 0.27 -0.92 -1.32 0.00 0.00 178.16 176.64 1p81 h TYR 684 N 0.65 0.47 -0.05 -3.82 5.03 -0.98 0.81 116.97 119.08 1p81 h TYR 684 Ca 0.17 0.03 -0.18 0.00 2.58 0.00 0.00 58.73 61.33 1p81 h TYR 684 Cb 0.00 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1p81 h TYR 684 CO 0.00 0.14 -0.76 -0.07 -1.32 0.00 0.00 178.16 176.15 1p81 h LEU 685 N 0.47 0.40 -0.52 2.82 3.38 -1.41 -2.18 115.31 118.26 1p81 h LEU 685 Ca 0.32 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1p81 h LEU 685 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1p81 h LEU 685 CO -0.29 1.02 -0.34 0.24 0.09 0.00 0.00 178.44 179.15 1p81 h MET 686 N 0.22 0.83 -0.02 1.13 2.86 -0.66 -0.01 114.93 119.28 1p81 h MET 686 Ca -0.03 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 1p81 h MET 686 Cb 1.34 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 1p81 h MET 686 CO 0.12 1.04 -0.01 1.49 1.06 0.00 0.00 176.91 180.62 1p81 h GLU 687 N 0.69 0.04 -0.67 1.72 4.81 -0.92 -0.59 114.58 119.67 1p81 h GLU 687 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1p81 h GLU 687 Cb 0.90 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1p81 h GLU 687 CO 0.08 0.43 0.34 0.00 -0.73 0.00 0.00 179.01 179.13 1p81 h ALA 688 N 0.61 1.34 0.42 2.92 0.00 -1.36 -1.41 119.26 121.78 1p81 h ALA 688 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1p81 h ALA 688 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1p81 h ALA 688 CO 0.00 0.52 -0.20 -0.92 0.00 0.00 0.00 179.25 178.65 1p81 h TYR 689 N 0.94 -0.53 -1.01 0.00 3.20 -0.85 -2.04 116.97 116.68 1p81 h TYR 689 Ca 0.23 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.23 1p81 h TYR 689 Cb 0.07 0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 1p81 h TYR 689 CO 0.01 -0.31 0.63 -0.22 -1.64 0.00 0.00 178.16 176.63 1p81 h LYS 690 N -0.60 0.93 -0.83 1.82 3.64 -0.71 -2.00 116.57 118.81 1p81 h LYS 690 Ca -0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1p81 h LYS 690 Cb 0.45 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1p81 h LYS 690 CO 0.10 0.61 0.00 0.72 -2.27 0.00 0.00 179.45 178.61 1p81 n HIS 691 N -4.65 0.82 -2.02 1.91 8.25 -0.57 -4.90 115.22 114.07 1p81 n HIS 691 Ca 0.20 -0.28 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 1p81 n HIS 691 Cb 0.40 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1p81 n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1p81 n LEU 692 N 0.25 -1.51 -4.83 2.41 4.77 -0.75 -4.89 117.00 112.45 1p81 n LEU 692 Ca 0.11 0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.83 1p81 n LEU 692 Cb 0.62 -2.26 -0.06 0.00 -2.33 0.00 0.00 43.42 39.39 1p81 n LEU 692 CO 0.13 -0.36 0.26 -0.54 -1.33 0.00 0.00 177.39 175.55 1p81 s LYS 693 N -4.29 4.09 0.25 3.23 1.02 -0.79 0.42 119.74 123.66 1p81 s LYS 693 Ca 0.00 0.62 -0.31 0.00 0.02 0.00 0.00 55.97 56.30 1p81 s LYS 693 Cb 0.00 -3.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.13 1p81 s LYS 693 CO 0.00 0.54 1.64 -2.30 -0.92 0.00 0.00 175.35 174.31 1p81 n PRO 694 N 1.19 2.65 -4.96 -1.68 -0.02 -1.26 -4.60 135.00 126.33 1p81 n PRO 694 Ca -0.07 0.95 -0.27 0.00 -2.02 0.00 0.00 63.50 62.09 1p81 n PRO 694 Cb 0.51 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 31.08 1p81 n PRO 694 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p81 s ILE 695 N 0.53 1.58 -0.10 4.25 1.01 -1.07 -2.04 121.20 125.37 1p81 s ILE 695 Ca 0.70 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1p81 s ILE 695 Cb -0.52 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1p81 s ILE 695 CO 0.41 0.45 -0.11 0.00 0.00 0.00 0.00 174.94 175.69 1p81 s ALA 696 N -0.20 1.39 -0.19 9.38 0.00 0.04 -0.14 121.76 132.02 1p81 s ALA 696 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1p81 s ALA 696 Cb -0.10 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1p81 s ALA 696 CO 0.01 -0.15 -0.17 -0.51 0.00 0.00 0.00 175.76 174.94 1p81 s LEU 697 N 1.17 2.37 -0.07 0.00 1.43 0.52 -0.99 118.68 123.10 1p81 s LEU 697 Ca -0.05 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1p81 s LEU 697 Cb -0.14 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1p81 s LEU 697 CO -0.03 -0.02 -0.05 0.00 0.23 0.00 0.00 176.35 176.48 1p81 s ALA 698 N 1.30 3.06 0.00 4.21 0.00 -0.46 -2.72 121.76 127.15 1p81 s ALA 698 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1p81 s ALA 698 Cb -0.14 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1p81 s ALA 698 CO -0.11 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1p81 n GLY 699 N 2.24 3.90 0.00 0.00 0.00 -0.10 -1.30 105.19 109.92 1p81 n GLY 699 Ca -0.18 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1p81 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 700 N 6.61 0.00 0.27 1.61 8.00 -1.26 -2.10 116.55 129.67 1p81 n ASP 700 Ca 0.00 -0.40 0.14 0.00 0.71 0.00 0.00 54.79 55.25 1p81 n ASP 700 Cb 0.00 -0.12 0.74 0.00 -0.02 0.00 0.00 41.12 41.71 1p81 n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p81 h ALA 701 N 3.21 1.15 0.00 2.24 0.00 -1.48 -2.35 119.26 122.04 1p81 h ALA 701 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1p81 h ALA 701 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1p81 h ALA 701 CO 0.00 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.91 1p81 n ARG 702 N -3.42 0.00 0.25 0.00 1.74 -0.89 -0.75 116.66 113.58 1p81 n ARG 702 Ca -0.01 0.49 0.09 0.00 -0.77 0.00 0.00 57.85 57.65 1p81 n ARG 702 Cb 0.26 -1.51 0.63 0.00 -1.02 0.00 0.00 32.46 30.83 1p81 n ARG 702 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1p81 h LYS 703 N 0.00 0.00 0.00 5.56 6.56 -1.67 -2.39 116.57 124.62 1p81 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1p81 h LYS 703 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1p81 h LYS 703 CO 0.00 0.15 0.00 1.19 -2.06 0.00 0.00 179.45 178.73 1p81 n PHE 704 N -3.95 0.00 0.04 -1.35 3.01 0.07 -2.98 117.46 112.30 1p81 n PHE 704 Ca -0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.53 1p81 n PHE 704 Cb 0.24 -0.46 0.53 0.00 -0.01 0.00 0.00 39.48 39.78 1p81 n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1p81 h LYS 705 N 0.00 0.30 -0.62 -1.08 1.57 -1.64 -2.11 116.57 112.98 1p81 h LYS 705 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1p81 h LYS 705 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1p81 h LYS 705 CO 0.00 0.20 0.07 0.00 -0.57 0.00 0.00 179.45 179.16 1p81 h ALA 706 N 1.79 0.95 0.00 3.86 0.00 -1.78 -0.38 119.26 123.70 1p81 h ALA 706 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1p81 h ALA 706 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1p81 h ALA 706 CO -0.03 0.65 -0.19 1.15 0.00 0.00 0.00 179.25 180.83 1p81 h THR 707 N 0.97 0.93 -0.27 0.00 2.02 -1.61 -2.40 112.91 112.56 1p81 h THR 707 Ca 0.19 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1p81 h THR 707 Cb 0.46 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1p81 h THR 707 CO 0.02 0.18 0.00 2.30 0.37 0.00 0.00 175.52 178.39 1p81 n ILE 708 N -4.03 2.31 -4.04 3.11 -5.35 -1.09 -4.92 119.36 105.36 1p81 n ILE 708 Ca -0.02 -1.91 -0.44 0.00 -0.27 0.00 0.00 62.75 60.10 1p81 n ILE 708 Cb 0.27 -0.26 0.02 0.00 -1.74 0.00 0.00 39.64 37.92 1p81 n ILE 708 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1p81 n LYS 709 N -0.54 -0.39 -3.76 6.28 4.76 -0.31 -4.96 118.16 119.25 1p81 n LYS 709 Ca 0.22 0.15 -0.35 0.00 -2.87 0.00 0.00 58.31 55.46 1p81 n LYS 709 Cb 0.91 -2.57 -0.09 0.00 -1.84 0.00 0.00 35.03 31.44 1p81 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1p81 s ILE 710 N -3.48 5.26 0.71 -0.18 1.01 -0.32 -5.02 121.20 119.19 1p81 s ILE 710 Ca 0.45 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 61.08 1p81 s ILE 710 Cb -0.25 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1p81 s ILE 710 CO 0.96 0.41 0.99 0.00 0.00 0.00 0.00 174.94 177.30 1p81 n ALA 711 N 3.80 -0.16 -0.32 9.38 0.00 -1.26 -4.76 120.51 127.19 1p81 n ALA 711 Ca -0.16 -0.18 0.16 0.00 0.00 0.00 0.00 53.44 53.27 1p81 n ALA 711 Cb 0.52 -2.13 0.40 0.00 0.00 0.00 0.00 19.45 18.25 1p81 n ALA 711 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p81 h ASP 712 N -0.20 0.63 0.00 0.00 3.32 -2.00 0.15 116.42 118.32 1p81 h ASP 712 Ca -0.47 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1p81 h ASP 712 Cb 1.33 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1p81 h ASP 712 CO 0.47 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 178.21 1p81 n GLN 713 N -4.67 0.93 0.00 3.56 10.64 -1.26 -5.02 117.38 121.55 1p81 n GLN 713 Ca 0.23 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1p81 n GLN 713 Cb 0.66 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 1p81 n GLN 713 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1p81 n GLY 714 N 0.84 -0.67 3.31 2.61 0.00 0.53 -5.05 105.19 106.76 1p81 n GLY 714 Ca 0.22 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1p81 n GLY 714 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1p81 s GLU 715 N -1.31 0.54 0.19 1.61 2.12 -1.26 -4.61 118.70 115.98 1p81 s GLU 715 Ca 0.00 0.43 -0.33 0.00 0.36 0.00 0.00 54.97 55.43 1p81 s GLU 715 Cb 0.00 0.26 -0.13 0.00 0.26 0.00 0.00 34.13 34.52 1p81 s GLU 715 CO 0.00 -0.09 1.69 0.39 -0.54 0.00 0.00 175.26 176.71 1p81 n GLU 716 N 2.50 2.60 0.00 4.30 -0.58 -1.26 -2.00 120.64 126.19 1p81 n GLU 716 Ca -0.15 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 1p81 n GLU 716 Cb 0.57 -2.76 0.00 0.00 -0.57 0.00 0.00 31.44 28.67 1p81 n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p81 n GLY 717 N 3.82 2.68 3.25 0.62 0.00 -1.26 -4.89 105.19 109.41 1p81 n GLY 717 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1p81 n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p81 s ILE 718 N -2.46 3.40 -0.13 -0.61 -1.09 -0.85 -2.60 121.20 116.86 1p81 s ILE 718 Ca 0.00 -1.07 -0.21 0.00 -2.23 0.00 0.00 60.65 57.14 1p81 s ILE 718 Cb 0.00 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 1p81 s ILE 718 CO 0.00 -0.01 0.64 -0.69 -1.23 0.00 0.00 174.94 173.65 1p81 s VAL 719 N 1.37 5.06 0.01 2.92 1.01 0.80 -4.63 120.40 126.93 1p81 s VAL 719 Ca -0.01 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 1p81 s VAL 719 Cb -0.18 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1p81 s VAL 719 CO -0.00 0.20 0.00 -1.83 0.00 0.00 0.00 175.10 173.47 1p81 s GLU 720 N 1.26 0.30 -0.07 2.72 -1.05 -1.26 0.20 118.70 120.81 1p81 s GLU 720 Ca 0.32 -0.50 -0.32 0.00 -0.15 0.00 0.00 54.97 54.32 1p81 s GLU 720 Cb -0.16 0.11 0.12 0.00 -0.44 0.00 0.00 34.13 33.76 1p81 s GLU 720 CO 0.13 -0.05 1.20 0.00 0.95 0.00 0.00 175.26 177.48 1p81 s ALA 721 N -1.28 -2.09 0.31 -0.84 0.00 -1.10 -4.98 121.76 111.79 1p81 s ALA 721 Ca -0.14 1.03 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1p81 s ALA 721 Cb -0.08 0.20 0.50 0.00 0.00 0.00 0.00 23.12 23.74 1p81 s ALA 721 CO -0.00 -0.84 1.85 -0.44 0.00 0.00 0.00 175.76 176.32 1p81 h ASP 722 N 2.00 0.62 -5.38 0.00 3.32 -1.91 -0.23 116.42 114.84 1p81 h ASP 722 Ca -0.21 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.59 1p81 h ASP 722 Cb 1.19 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.47 1p81 h ASP 722 CO 0.26 0.66 -0.31 -0.94 -1.72 0.00 0.00 179.24 177.19 1p81 s SER 723 N -6.67 0.03 -0.27 6.45 1.04 -1.26 -2.26 113.70 110.77 1p81 s SER 723 Ca -0.09 -1.12 -0.04 0.00 0.48 0.00 0.00 55.95 55.18 1p81 s SER 723 Cb 0.15 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1p81 s SER 723 CO 0.78 -1.03 2.96 0.00 0.98 0.00 0.00 173.24 176.93 1p81 n ALA 724 N -0.35 6.19 -1.00 5.32 0.00 -1.26 -4.82 120.51 124.60 1p81 n ALA 724 Ca -0.00 -2.36 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1p81 n ALA 724 Cb 0.63 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1p81 n ALA 724 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1p81 n ASP 725 N 1.41 -1.68 0.10 0.00 5.75 -1.26 -4.40 116.55 116.48 1p81 n ASP 725 Ca 0.43 -0.03 -0.04 0.00 -0.01 0.00 0.00 54.79 55.14 1p81 n ASP 725 Cb 0.68 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.87 1p81 n ASP 725 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1p81 h GLY 726 N -0.84 0.14 0.94 6.12 0.00 -1.93 -2.69 103.07 104.81 1p81 h GLY 726 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1p81 h GLY 726 CO 0.00 0.17 0.09 0.23 0.00 0.00 0.00 176.54 177.03 1p81 h SER 727 N 0.09 0.65 -0.20 0.19 0.87 -1.96 -1.10 113.55 112.09 1p81 h SER 727 Ca -0.01 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1p81 h SER 727 Cb 1.21 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1p81 h SER 727 CO 0.10 0.73 0.10 0.15 -0.53 0.00 0.00 176.83 177.38 1p81 h PHE 728 N 0.54 0.19 -0.58 2.24 3.04 -1.86 -2.18 116.94 118.34 1p81 h PHE 728 Ca 0.13 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.98 1p81 h PHE 728 Cb 0.34 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1p81 h PHE 728 CO 0.02 0.11 -0.06 0.52 -2.02 0.00 0.00 178.31 176.89 1p81 h MET 729 N 0.22 1.06 -0.90 1.11 2.86 -1.40 -1.55 114.93 116.32 1p81 h MET 729 Ca 0.08 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1p81 h MET 729 Cb 0.01 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1p81 h MET 729 CO -0.05 1.06 0.60 -0.44 1.06 0.00 0.00 176.91 179.14 1p81 h ASP 730 N 0.95 1.03 -0.08 1.22 3.32 -1.04 0.11 116.42 121.92 1p81 h ASP 730 Ca 0.16 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1p81 h ASP 730 Cb 0.63 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1p81 h ASP 730 CO 0.04 0.74 0.05 -0.33 -1.72 0.00 0.00 179.24 178.02 1p81 h GLU 731 N 1.21 0.11 -0.81 3.56 5.08 -1.20 -0.33 114.58 122.21 1p81 h GLU 731 Ca 0.34 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1p81 h GLU 731 Cb -0.12 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1p81 h GLU 731 CO -0.08 0.11 0.40 1.25 -1.00 0.00 0.00 179.01 179.70 1p81 h LEU 732 N 0.08 1.05 -0.95 1.33 7.12 -0.63 -1.81 115.31 121.50 1p81 h LEU 732 Ca 0.03 -0.13 -0.08 0.00 0.13 0.00 0.00 57.88 57.83 1p81 h LEU 732 Cb 0.03 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.88 1p81 h LEU 732 CO -0.01 0.88 -0.39 -0.07 -0.13 0.00 0.00 178.44 178.73 1p81 h LEU 733 N 1.14 0.00 -0.22 2.25 3.38 -0.70 -1.03 115.31 120.14 1p81 h LEU 733 Ca 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1p81 h LEU 733 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1p81 h LEU 733 CO -0.04 0.39 -0.05 0.74 0.09 0.00 0.00 178.44 179.57 1p81 h THR 734 N 0.00 1.28 -0.38 0.22 2.02 -0.66 -1.59 112.91 113.80 1p81 h THR 734 Ca -0.00 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1p81 h THR 734 Cb 0.90 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 1p81 h THR 734 CO 0.05 0.32 0.20 -0.07 0.37 0.00 0.00 175.52 176.38 1p81 h LEU 735 N 0.15 0.30 -1.59 2.58 3.38 -1.02 -2.09 115.31 117.01 1p81 h LEU 735 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1p81 h LEU 735 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1p81 h LEU 735 CO 0.02 0.22 -0.08 0.24 0.09 0.00 0.00 178.44 178.93 1p81 h MET 736 N 0.40 0.17 0.00 1.13 2.86 -1.07 -1.78 114.93 116.64 1p81 h MET 736 Ca 0.16 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1p81 h MET 736 Cb 0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1p81 h MET 736 CO -0.10 0.26 -0.06 0.00 1.06 0.00 0.00 176.91 178.06 1p81 h ALA 737 N 1.76 1.01 -0.12 6.32 0.00 -0.59 -1.88 119.26 125.77 1p81 h ALA 737 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p81 h ALA 737 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1p81 h ALA 737 CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1p81 n ALA 738 N -2.13 2.53 0.00 0.00 0.00 -0.70 -4.05 120.51 116.17 1p81 n ALA 738 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1p81 n ALA 738 Cb 0.35 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1p81 n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1p81 n HIS 739 N 0.36 0.00 -4.18 0.00 -0.00 -0.71 -4.76 115.22 105.94 1p81 n HIS 739 Ca 0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.78 1p81 n HIS 739 Cb 0.36 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.25 1p81 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1p81 s ARG 740 N 0.00 0.87 -1.06 1.57 1.81 -1.26 -4.72 118.95 116.15 1p81 s ARG 740 Ca 0.00 -1.35 -0.14 0.00 -1.72 0.00 0.00 55.73 52.52 1p81 s ARG 740 Cb 0.00 -0.24 0.20 0.00 -0.45 0.00 0.00 34.95 34.46 1p81 s ARG 740 CO 0.00 -0.02 1.18 0.08 -0.68 0.00 0.00 175.30 175.86 1p81 s VAL 741 N -3.61 5.31 0.47 3.52 1.01 0.17 -4.87 120.40 122.39 1p81 s VAL 741 Ca 0.13 -2.58 0.31 0.00 0.00 0.00 0.00 61.98 59.84 1p81 s VAL 741 Cb 0.05 -4.73 0.34 0.00 0.00 0.00 0.00 36.38 32.03 1p81 s VAL 741 CO -0.04 -1.39 2.15 -0.50 0.00 0.00 0.00 175.10 175.32 1p81 h TRP 742 N 7.50 0.00 0.00 5.22 4.06 -1.93 -2.25 115.95 128.56 1p81 h TRP 742 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 1p81 h TRP 742 Cb 0.93 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 1p81 h TRP 742 CO 1.02 0.07 0.00 -1.13 -3.56 0.00 0.00 178.44 174.84 1p81 n SER 743 N -3.56 0.63 -0.01 -3.49 3.41 -1.26 -2.36 113.62 106.97 1p81 n SER 743 Ca -0.02 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1p81 n SER 743 Cb 0.18 -0.79 0.50 0.00 -0.26 0.00 0.00 64.21 63.85 1p81 n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1p81 n ARG 744 N -2.20 0.07 -0.14 4.33 0.63 -0.85 -4.41 116.66 114.10 1p81 n ARG 744 Ca 0.02 -0.02 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1p81 n ARG 744 Cb 0.22 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.64 1p81 n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1p81 h ILE 745 N 0.05 0.35 -0.20 5.15 2.04 -1.65 0.08 117.51 123.33 1p81 h ILE 745 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1p81 h ILE 745 Cb 0.48 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1p81 h ILE 745 CO 0.00 0.00 0.17 -0.65 0.00 0.00 0.00 178.15 177.67 1p81 h PRO 746 N -0.13 0.00 0.00 2.37 0.11 -1.85 -2.42 132.00 130.08 1p81 h PRO 746 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1p81 h PRO 746 Cb 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1p81 h PRO 746 CO -0.54 0.00 -0.48 0.87 -0.21 0.00 0.00 178.00 177.65 1p81 h LYS 747 N 0.00 0.00 0.00 1.05 1.57 -1.27 -3.36 116.57 114.56 1p81 h LYS 747 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1p81 h LYS 747 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1p81 h LYS 747 CO -0.00 0.02 0.00 -0.84 -0.57 0.00 0.00 179.45 178.06 1p81 h ILE 748 N 0.00 0.00 -0.99 1.86 3.07 -1.18 -3.29 117.51 116.98 1p81 h ILE 748 Ca -0.00 -0.59 0.28 0.00 1.55 0.00 0.00 64.86 66.10 1p81 h ILE 748 Cb 1.03 1.54 -0.14 0.00 -0.27 0.00 0.00 36.82 38.98 1p81 h ILE 748 CO 0.00 0.00 0.55 -0.78 -1.05 0.00 0.00 178.15 176.88 1p81 h ASP 749 N 0.00 0.55 -0.54 2.16 3.58 -1.72 -1.74 116.42 118.71 1p81 h ASP 749 Ca 0.00 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1p81 h ASP 749 Cb 0.64 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1p81 h ASP 749 CO 0.00 -0.02 0.00 0.29 -2.88 0.00 0.00 179.24 176.63 1p81 n LYS 750 N -4.99 3.15 -3.74 0.28 4.76 -1.24 -4.85 118.16 111.54 1p81 n LYS 750 Ca 0.28 -2.31 -0.37 0.00 -2.87 0.00 0.00 58.31 53.05 1p81 n LYS 750 Cb 0.84 -1.75 -0.12 0.00 -1.84 0.00 0.00 35.03 32.16 1p81 n LYS 750 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1p81 s ILE 751 N -1.74 4.48 -1.01 -0.18 -1.16 -0.66 -5.02 121.20 115.91 1p81 s ILE 751 Ca 0.41 -0.11 -0.22 0.00 -0.51 0.00 0.00 60.65 60.22 1p81 s ILE 751 Cb 0.26 -3.10 0.07 0.00 0.61 0.00 0.00 42.46 40.30 1p81 s ILE 751 CO 0.21 0.33 1.40 -2.16 -2.81 0.00 0.00 174.94 171.90 1p81 s PRO 752 N 1.61 3.61 0.00 3.50 0.04 -1.26 -5.06 135.00 137.43 1p81 s PRO 752 Ca 0.06 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.83 1p81 s PRO 752 Cb -0.15 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1p81 s PRO 752 CO 0.05 -2.13 0.00 0.00 0.04 0.00 0.00 177.00 174.96