#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 1.00 -0.02 -2.24 2.88 -1.26 -4.85 113.62 109.13 1p81 n SER 28 Ca 0.00 -2.06 -0.12 0.00 -1.33 0.00 0.00 58.87 55.35 1p81 n SER 28 Cb 0.00 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.21 1p81 n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1p81 h LEU 29 N 0.00 0.15-10.05 2.46 3.38 -2.10 -3.43 115.31 105.72 1p81 h LEU 29 Ca 0.00 -0.30 -0.56 0.00 0.09 0.00 0.00 57.88 57.11 1p81 h LEU 29 Cb 1.04 -0.04 0.16 0.00 0.09 0.00 0.00 40.66 41.90 1p81 h LEU 29 CO 0.00 0.42 0.47 0.00 0.09 0.00 0.00 178.44 179.42 1p81 n ALA 30 N -2.28 1.10 -1.76 1.53 0.00 -1.26 -4.94 120.51 112.89 1p81 n ALA 30 Ca -0.06 0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 1p81 n ALA 30 Cb 0.19 -2.30 0.02 0.00 0.00 0.00 0.00 19.45 17.37 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 -3.16 3.17 0.43 0.00 0.04 -1.26 -4.94 135.00 129.27 1p81 s PRO 31 Ca 0.79 1.84 0.18 0.00 0.04 0.00 0.00 61.00 63.85 1p81 s PRO 31 Cb -0.39 -2.05 0.99 0.00 0.04 0.00 0.00 34.50 33.08 1p81 s PRO 31 CO 0.43 -1.05 1.93 1.49 0.04 0.00 0.00 177.00 179.84 1p81 h GLU 32 N 1.18 0.00 0.00 4.56 4.57 -1.92 -1.87 114.58 121.10 1p81 h GLU 32 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1p81 h GLU 32 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1p81 h GLU 32 CO 0.56 0.26 0.00 -0.40 -1.18 0.00 0.00 179.01 178.25 1p81 n ASP 33 N -3.97 0.00 -1.16 1.04 5.68 -1.26 -4.91 116.55 111.97 1p81 n ASP 33 Ca -0.02 -0.67 -0.12 0.00 -0.50 0.00 0.00 54.79 53.48 1p81 n ASP 33 Cb 0.33 -0.11 -0.03 0.00 -1.14 0.00 0.00 41.12 40.17 1p81 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p81 n GLY 34 N 1.07 0.62 0.00 6.12 0.00 -0.70 -4.90 105.19 107.40 1p81 n GLY 34 Ca 0.20 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.15 0.00 0.16 1.61 3.41 -1.26 -3.05 113.62 114.34 1p81 n SER 35 Ca -0.13 -1.00 0.12 0.00 -0.26 0.00 0.00 58.87 57.59 1p81 n SER 35 Cb 0.50 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.67 1p81 n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1p81 h HIS 36 N 0.00 0.00 -3.62 7.33 2.07 -1.90 -3.45 115.15 115.57 1p81 h HIS 36 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1p81 h HIS 36 Cb 0.00 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 29.78 1p81 h HIS 36 CO 0.00 0.00 -0.60 0.50 -3.07 0.00 0.00 177.93 174.76 1p81 s ARG 37 N -3.19 3.76 0.26 5.12 6.06 -1.17 -5.02 118.95 124.77 1p81 s ARG 37 Ca 0.07 -0.43 -0.30 0.00 -2.50 0.00 0.00 55.73 52.58 1p81 s ARG 37 Cb 0.08 -3.36 -0.10 0.00 0.06 0.00 0.00 34.95 31.64 1p81 s ARG 37 CO 0.67 -0.10 1.40 -2.14 -2.50 0.00 0.00 175.30 172.62 1p81 s PRO 38 N 1.40 4.30 0.22 5.12 0.02 -1.26 -4.95 135.00 139.85 1p81 s PRO 38 Ca 0.06 2.26 -0.32 0.00 0.02 0.00 0.00 61.00 63.02 1p81 s PRO 38 Cb -0.15 -3.11 -0.14 0.00 0.02 0.00 0.00 34.50 31.12 1p81 s PRO 38 CO 0.04 -0.35 1.27 0.00 -0.33 0.00 0.00 177.00 177.63 1p81 n ALA 39 N 2.04 0.23 -2.21 -1.55 0.00 -1.26 -4.87 120.51 112.89 1p81 n ALA 39 Ca 0.05 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 1p81 n ALA 39 Cb 0.41 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1p81 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p81 n ALA 40 N 1.57 6.07 -3.48 0.00 0.00 -1.26 -4.83 120.51 118.58 1p81 n ALA 40 Ca 0.13 -4.23 -0.11 0.00 0.00 0.00 0.00 53.44 49.22 1p81 n ALA 40 Cb 0.29 -2.84 -0.03 0.00 0.00 0.00 0.00 19.45 16.87 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 -0.60 0.99 0.07 0.00 -1.05 -1.20 -4.84 118.70 112.07 1p81 s GLU 41 Ca 0.46 -0.23 -0.33 0.00 -0.15 0.00 0.00 54.97 54.73 1p81 s GLU 41 Cb 0.14 0.46 -0.12 0.00 -0.44 0.00 0.00 34.13 34.17 1p81 s GLU 41 CO -0.04 -0.41 1.80 -2.30 0.95 0.00 0.00 175.26 175.26 1p81 n PRO 42 N -0.02 2.48 -3.95 -4.83 -0.02 -1.26 -5.00 135.00 122.40 1p81 n PRO 42 Ca -0.13 0.90 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1p81 n PRO 42 Cb 0.62 -2.76 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 1p81 n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1p81 s THR 43 N 2.76 0.13 0.76 3.45 -4.23 -0.95 -4.96 115.64 112.60 1p81 s THR 43 Ca 0.85 -0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 60.84 1p81 s THR 43 Cb -0.58 -0.17 0.05 0.00 1.34 0.00 0.00 72.50 73.14 1p81 s THR 43 CO 0.42 -0.15 1.21 -2.16 -0.54 0.00 0.00 174.62 173.39 1p81 s PRO 44 N -0.55 1.97 -0.04 3.99 0.04 -1.26 -3.15 135.00 136.00 1p81 s PRO 44 Ca -0.05 1.77 -0.37 0.00 0.04 0.00 0.00 61.00 62.39 1p81 s PRO 44 Cb -0.04 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.54 1p81 s PRO 44 CO -0.00 -1.97 1.57 -2.30 0.04 0.00 0.00 177.00 174.34 1p81 n PRO 45 N -2.91 1.44 -0.10 0.56 -0.02 -1.26 -1.75 135.00 130.96 1p81 n PRO 45 Ca 0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1p81 n PRO 45 Cb 0.50 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 3.42 1.76 0.17 -1.23 0.00 -1.26 -4.91 105.19 103.13 1p81 n GLY 46 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 0.86 -2.43 4.61 0.00 -1.69 -3.46 119.26 117.15 1p81 h ALA 47 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1p81 h ALA 47 Cb 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 17.55 1p81 h ALA 47 CO 0.00 0.73 -0.57 -0.65 0.00 0.00 0.00 179.25 178.76 1p81 s GLN 48 N -3.74 0.64 0.43 0.00 -1.52 -1.26 -5.06 119.66 109.14 1p81 s GLN 48 Ca -0.04 -1.01 -0.26 0.00 -1.95 0.00 0.00 55.36 52.10 1p81 s GLN 48 Cb 0.12 0.24 -0.09 0.00 -0.22 0.00 0.00 33.01 33.06 1p81 s GLN 48 CO 0.79 -0.15 1.42 -2.14 -0.25 0.00 0.00 175.29 174.96 1p81 s PRO 49 N -3.45 3.82 0.81 2.91 0.02 -1.26 -4.98 135.00 132.88 1p81 s PRO 49 Ca 0.02 2.41 -0.11 0.00 0.02 0.00 0.00 61.00 63.34 1p81 s PRO 49 Cb 0.04 -2.74 0.08 0.00 0.02 0.00 0.00 34.50 31.90 1p81 s PRO 49 CO -0.08 -0.70 1.09 0.95 -0.33 0.00 0.00 177.00 177.92 1p81 s THR 50 N -1.19 3.13 0.20 0.99 -4.23 -1.26 -4.66 115.64 108.62 1p81 s THR 50 Ca 0.59 0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 1p81 s THR 50 Cb -0.43 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.49 1p81 s THR 50 CO 0.57 -0.48 0.43 0.00 -0.54 0.00 0.00 174.62 174.59 1p81 s ALA 51 N -2.97 -0.45 0.17 3.99 0.00 -1.26 -4.98 121.76 116.27 1p81 s ALA 51 Ca 0.62 -0.61 -0.34 0.00 0.00 0.00 0.00 51.96 51.63 1p81 s ALA 51 Cb -0.17 0.90 -0.14 0.00 0.00 0.00 0.00 23.12 23.71 1p81 s ALA 51 CO 0.56 -0.76 1.49 -2.30 0.00 0.00 0.00 175.76 174.75 1p81 n PRO 52 N -0.30 1.96 -0.36 0.00 -0.02 -1.26 -4.69 135.00 130.33 1p81 n PRO 52 Ca -0.07 0.71 0.01 0.00 -2.02 0.00 0.00 63.50 62.13 1p81 n PRO 52 Cb 0.62 -2.42 0.07 0.00 -0.02 0.00 0.00 33.50 31.75 1p81 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p81 n GLY 53 N 2.95 -1.84 0.13 -1.23 0.00 -0.59 -1.09 105.19 103.52 1p81 n GLY 53 Ca 0.16 1.05 0.12 0.00 0.00 0.00 0.00 46.02 47.35 1p81 n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 54 N -5.46 0.71 0.01 1.61 3.41 -1.26 -0.36 113.62 112.29 1p81 n SER 54 Ca 0.12 0.66 -0.17 0.00 -0.26 0.00 0.00 58.87 59.22 1p81 n SER 54 Cb 0.42 -0.82 -0.14 0.00 -0.26 0.00 0.00 64.21 63.41 1p81 n SER 54 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p81 h LEU 55 N 0.00 0.30 -0.31 1.04 3.38 -1.47 -3.19 115.31 115.07 1p81 h LEU 55 Ca 0.00 -0.59 -0.13 0.00 0.09 0.00 0.00 57.88 57.24 1p81 h LEU 55 Cb 0.42 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1p81 h LEU 55 CO 0.00 1.52 -0.33 0.50 0.09 0.00 0.00 178.44 180.23 1p81 h LYS 56 N 0.05 0.76 -2.03 1.13 1.63 -0.75 -3.39 116.57 113.98 1p81 h LYS 56 Ca -0.34 -0.41 -0.57 0.00 -0.85 0.00 0.00 60.65 58.48 1p81 h LYS 56 Cb 2.03 0.02 -0.40 0.00 -0.60 0.00 0.00 32.23 33.28 1p81 h LYS 56 CO 0.11 1.04 -1.02 0.00 -3.45 0.00 0.00 179.45 176.12 1p81 n ALA 57 N -2.51 2.70 0.26 5.00 0.00 0.52 -3.27 120.51 123.21 1p81 n ALA 57 Ca -0.04 -3.63 0.13 0.00 0.00 0.00 0.00 53.44 49.90 1p81 n ALA 57 Cb 0.50 -0.83 0.71 0.00 0.00 0.00 0.00 19.45 19.84 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 4.02 0.00 -0.00 0.00 0.13 -1.73 -2.69 132.00 131.73 1p81 h PRO 58 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1p81 h PRO 58 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1p81 h PRO 58 CO 0.52 0.12 -0.22 -0.25 -0.23 0.00 0.00 178.00 177.95 1p81 n ASP 59 N -3.58 0.30 -4.74 1.44 8.00 -1.26 -4.84 116.55 111.88 1p81 n ASP 59 Ca -0.02 -0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.05 1p81 n ASP 59 Cb 0.25 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1p81 n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1p81 s THR 60 N -2.89 3.92 0.13 -3.53 2.01 -1.01 -5.03 115.64 109.24 1p81 s THR 60 Ca 0.16 1.65 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 1p81 s THR 60 Cb 0.19 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1p81 s THR 60 CO 0.58 0.28 0.37 0.00 -0.69 0.00 0.00 174.62 175.17 1p81 s ARG 61 N -0.35 1.07 0.30 4.92 3.03 -1.26 -5.04 118.95 121.61 1p81 s ARG 61 Ca 0.49 -0.80 -0.19 0.00 2.03 0.00 0.00 55.73 57.26 1p81 s ARG 61 Cb -0.29 0.45 0.02 0.00 -1.03 0.00 0.00 34.95 34.10 1p81 s ARG 61 CO 0.34 -0.41 0.70 0.54 -1.13 0.00 0.00 175.30 175.35 1p81 s ASN 62 N -2.83 -0.17 0.22 -2.89 2.20 -1.26 -5.02 114.94 105.19 1p81 s ASN 62 Ca 0.05 -0.76 -0.09 0.00 -0.94 0.00 0.00 52.86 51.13 1p81 s ASN 62 Cb 0.02 0.74 0.21 0.00 -2.00 0.00 0.00 41.25 40.22 1p81 s ASN 62 CO -0.10 -1.39 1.88 -0.08 -2.94 0.00 0.00 177.10 174.47 1p81 h GLU 63 N 2.03 1.01 -0.02 3.55 4.81 -1.97 -1.09 114.58 122.90 1p81 h GLU 63 Ca -0.22 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1p81 h GLU 63 Cb 1.25 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1p81 h GLU 63 CO 0.28 0.67 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.99 1p81 h LYS 64 N 1.04 0.05 -1.00 1.92 1.63 -1.96 -1.27 116.57 116.98 1p81 h LYS 64 Ca 0.31 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.16 1p81 h LYS 64 Cb -0.05 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.51 1p81 h LYS 64 CO -0.09 0.47 0.65 -0.07 -3.45 0.00 0.00 179.45 176.96 1p81 h LEU 65 N -0.37 1.03 -0.85 5.20 3.38 -1.92 -1.84 115.31 119.93 1p81 h LEU 65 Ca 0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1p81 h LEU 65 Cb 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1p81 h LEU 65 CO 0.00 0.64 0.01 0.78 0.09 0.00 0.00 178.44 179.97 1p81 h ASN 66 N 1.15 0.84 1.09 -0.43 2.35 -1.13 -2.84 115.58 116.61 1p81 h ASN 66 Ca 0.44 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1p81 h ASN 66 Cb 0.21 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1p81 h ASN 66 CO -0.18 0.90 0.00 0.77 -1.65 0.00 0.00 177.43 177.26 1p81 h SER 67 N 0.82 0.00 0.71 5.81 4.64 -0.45 -2.26 113.55 122.82 1p81 h SER 67 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1p81 h SER 67 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1p81 h SER 67 CO 0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1p81 n LEU 68 N -2.45 0.00 0.07 5.97 4.77 -0.80 -4.08 117.00 120.47 1p81 n LEU 68 Ca 0.03 0.36 0.08 0.00 -0.03 0.00 0.00 56.01 56.44 1p81 n LEU 68 Cb 0.32 -0.36 0.52 0.00 -2.33 0.00 0.00 43.42 41.58 1p81 n LEU 68 CO 0.25 -0.00 1.14 -0.08 -1.33 0.00 0.00 177.39 177.37 1p81 h GLU 69 N 0.00 0.31 0.00 3.23 4.57 -1.46 -2.11 114.58 119.12 1p81 h GLU 69 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1p81 h GLU 69 Cb 0.36 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1p81 h GLU 69 CO 0.00 0.21 0.00 0.38 -1.18 0.00 0.00 179.01 178.42 1p81 h ASP 70 N 0.32 0.00 -0.05 1.04 -0.00 -1.81 -2.42 116.42 113.50 1p81 h ASP 70 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1p81 h ASP 70 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 1p81 h ASP 70 CO -0.03 0.00 0.00 1.33 -0.00 0.00 0.00 179.24 180.54 1p81 n VAL 71 N -2.85 0.11 -2.38 4.15 0.24 -0.81 -4.99 118.33 111.80 1p81 n VAL 71 Ca -0.01 -0.56 -0.41 0.00 -2.04 0.00 0.00 64.34 61.32 1p81 n VAL 71 Cb 0.16 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.63 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 -0.86 4.49 -0.11 7.34 0.52 -0.91 -5.02 118.95 124.39 1p81 s ARG 72 Ca 0.13 1.87 0.02 0.00 -0.52 0.00 0.00 55.73 57.23 1p81 s ARG 72 Cb 0.09 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 1p81 s ARG 72 CO 0.13 -0.09 -0.19 0.15 0.02 0.00 0.00 175.30 175.32 1p81 s LYS 73 N -0.19 3.21 0.00 3.54 1.02 -1.26 -5.05 119.74 121.00 1p81 s LYS 73 Ca 0.53 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1p81 s LYS 73 Cb -0.32 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1p81 s LYS 73 CO 0.36 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1p81 n GLY 74 N 3.51 0.26 0.01 -3.33 0.00 -1.26 -5.07 105.19 99.31 1p81 n GLY 74 Ca -0.19 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -4.71 1.61 3.41 -1.26 -5.07 113.62 107.60 1p81 n SER 75 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1p81 n SER 75 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.09 2.36 -0.81 4.33 1.02 -1.26 -1.98 120.64 123.20 1p81 n GLU 76 Ca 0.00 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1p81 n GLU 76 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 28.89 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 1.66 -1.07 -4.93 1.62 3.02 -1.26 -5.02 115.26 109.28 1p81 n ASN 77 Ca 0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.37 1p81 n ASN 77 Cb 0.35 -1.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.10 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 -2.29 3.49 0.46 3.10 2.02 -0.84 -5.09 117.35 118.21 1p81 s TYR 78 Ca 0.00 0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.94 1p81 s TYR 78 Cb 0.00 -1.94 -0.10 0.00 -0.40 0.00 0.00 41.96 39.52 1p81 s TYR 78 CO 0.00 0.19 0.95 0.00 -1.57 0.00 0.00 175.55 175.11 1p81 s ALA 79 N -2.17 3.07 -0.11 3.71 0.00 -1.26 -5.02 121.76 119.98 1p81 s ALA 79 Ca 0.41 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 1p81 s ALA 79 Cb -0.10 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1p81 s ALA 79 CO 0.33 -0.00 0.99 -1.17 0.00 0.00 0.00 175.76 175.91 1p81 s LEU 80 N -3.53 4.24 0.35 0.00 2.96 -1.26 -5.01 118.68 116.43 1p81 s LEU 80 Ca 0.60 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 56.05 1p81 s LEU 80 Cb -0.09 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1p81 s LEU 80 CO 0.21 -0.44 0.10 0.42 -1.32 0.00 0.00 176.35 175.31 1p81 s THR 81 N 2.02 0.79 0.98 3.68 -4.23 -1.26 -1.50 115.64 116.12 1p81 s THR 81 Ca 0.48 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 1p81 s THR 81 Cb -0.18 -2.57 0.19 0.00 1.34 0.00 0.00 72.50 71.28 1p81 s THR 81 CO 0.17 0.00 1.23 0.42 -0.54 0.00 0.00 174.62 175.90 1p81 s THR 82 N -3.35 1.92 -0.36 3.99 -4.23 0.11 -4.88 115.64 108.84 1p81 s THR 82 Ca 0.31 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.08 1p81 s THR 82 Cb 0.06 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 71.32 1p81 s THR 82 CO 0.15 0.00 1.76 0.78 -0.54 0.00 0.00 174.62 176.77 1p81 h ASN 83 N -1.73 0.00 -0.26 3.99 2.35 -1.98 -2.61 115.58 115.35 1p81 h ASN 83 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1p81 h ASN 83 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1p81 h ASN 83 CO 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.23 1p81 n GLN 84 N -2.39 1.91 -0.78 0.81 1.13 -1.26 -4.94 117.38 111.86 1p81 n GLN 84 Ca 0.02 -1.38 0.00 0.00 -1.94 0.00 0.00 57.00 53.70 1p81 n GLN 84 Cb 0.23 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 1.20 0.54 3.70 1.08 0.00 -0.98 -5.05 105.19 105.68 1p81 n GLY 85 Ca 0.16 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 5.06 0.33 1.61 1.01 -1.26 -4.81 120.40 120.33 1p81 s VAL 86 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 1p81 s VAL 86 Cb 0.00 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1p81 s VAL 86 CO 0.00 0.22 1.29 -0.13 0.00 0.00 0.00 175.10 176.48 1p81 s ARG 87 N 1.10 4.38 -0.16 2.72 0.52 -1.26 -0.71 118.95 125.53 1p81 s ARG 87 Ca 0.33 2.18 -0.09 0.00 -0.52 0.00 0.00 55.73 57.64 1p81 s ARG 87 Cb -0.17 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 1p81 s ARG 87 CO 0.14 -0.16 0.13 0.42 0.02 0.00 0.00 175.30 175.86 1p81 s ILE 88 N -1.12 5.43 -0.15 1.52 1.01 -0.56 -4.89 121.20 122.44 1p81 s ILE 88 Ca 0.49 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 61.23 1p81 s ILE 88 Cb -0.39 -3.43 -0.24 0.00 0.01 0.00 0.00 42.46 38.41 1p81 s ILE 88 CO 0.52 0.52 0.29 0.00 0.00 0.00 0.00 174.94 176.27 1p81 n ALA 89 N 2.84 0.89 -3.87 9.38 0.00 -1.26 -4.82 120.51 123.68 1p81 n ALA 89 Ca -0.18 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 1p81 n ALA 89 Cb 0.53 -0.62 -0.15 0.00 0.00 0.00 0.00 19.45 19.21 1p81 n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p81 s ASP 90 N -6.99 3.88 -0.28 0.00 3.68 -1.26 -4.96 116.67 110.73 1p81 s ASP 90 Ca -0.25 -1.37 0.11 0.00 2.13 0.00 0.00 52.55 53.17 1p81 s ASP 90 Cb 0.07 -1.07 0.77 0.00 -1.45 0.00 0.00 42.92 41.23 1p81 s ASP 90 CO 0.72 -0.31 1.76 -0.67 0.13 0.00 0.00 175.17 176.80 1p81 n ASP 91 N 4.71 5.18 -0.00 -0.34 4.64 -1.26 -4.04 116.55 125.44 1p81 n ASP 91 Ca -0.07 -3.07 0.05 0.00 -1.38 0.00 0.00 54.79 50.32 1p81 n ASP 91 Cb 0.44 -0.72 -0.06 0.00 -1.04 0.00 0.00 41.12 39.73 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 0.19 3.08 -3.94 -0.67 1.13 -1.26 -5.05 117.38 110.86 1p81 n GLN 92 Ca 0.35 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.30 1p81 n GLN 92 Cb 1.29 -1.03 -0.10 0.00 0.11 0.00 0.00 30.24 30.51 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 -2.17 0.18 0.64 1.08 0.01 -1.26 -5.15 114.94 108.27 1p81 s ASN 93 Ca 0.03 -0.46 -0.11 0.00 -0.71 0.00 0.00 52.86 51.60 1p81 s ASN 93 Cb 0.08 0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.88 1p81 s ASN 93 CO 0.43 -0.40 1.05 -0.44 -1.51 0.00 0.00 177.10 176.23 1p81 s SER 94 N -1.73 6.01 -0.15 -1.22 0.01 -1.26 -4.98 113.70 110.38 1p81 s SER 94 Ca -0.11 1.37 -0.24 0.00 1.31 0.00 0.00 55.95 58.28 1p81 s SER 94 Cb -0.06 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1p81 s SER 94 CO -0.02 -1.01 0.79 -0.22 0.41 0.00 0.00 173.24 173.19 1p81 s LEU 95 N -5.24 4.20 0.12 2.44 2.96 -1.26 -5.02 118.68 116.88 1p81 s LEU 95 Ca 0.56 1.14 -0.00 0.00 -0.22 0.00 0.00 54.13 55.61 1p81 s LEU 95 Cb -0.11 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1p81 s LEU 95 CO 0.54 -0.33 0.02 0.00 -1.32 0.00 0.00 176.35 175.25 1p81 s ARG 96 N 1.88 0.91 -0.86 1.98 1.70 -1.26 -0.78 118.95 122.51 1p81 s ARG 96 Ca 0.37 -1.41 -0.19 0.00 -0.47 0.00 0.00 55.73 54.02 1p81 s ARG 96 Cb -0.17 0.07 0.12 0.00 -0.57 0.00 0.00 34.95 34.41 1p81 s ARG 96 CO 0.13 -0.18 1.07 0.00 -1.08 0.00 0.00 175.30 175.24 1p81 s ALA 97 N -3.89 3.35 0.00 7.88 0.00 -0.82 -4.76 121.76 123.52 1p81 s ALA 97 Ca 0.20 -2.60 0.00 0.00 0.00 0.00 0.00 51.96 49.56 1p81 s ALA 97 Cb 0.07 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1p81 s ALA 97 CO -0.00 -2.89 0.00 0.41 0.00 0.00 0.00 175.76 173.27 1p81 n GLY 98 N 5.42 0.40 0.00 0.00 0.00 -1.26 -3.71 105.19 106.03 1p81 n GLY 98 Ca 0.17 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.56 0.00 -0.24 1.61 3.41 -1.26 -1.25 113.62 115.33 1p81 n SER 99 Ca 0.00 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1p81 n SER 99 Cb 0.00 -0.49 0.14 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.49 1.21 -1.81 4.33 1.74 -1.26 -5.07 116.66 114.32 1p81 n ARG 100 Ca 0.04 -2.59 -0.08 0.00 -0.77 0.00 0.00 57.85 54.45 1p81 n ARG 100 Cb 0.17 -1.41 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.23 1.94 3.77 -0.13 0.00 -0.38 -5.06 105.19 104.10 1p81 n GLY 101 Ca 0.15 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1p81 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p81 s PRO 102 N -3.07 4.17 0.28 1.61 0.04 -1.26 -4.61 135.00 132.15 1p81 s PRO 102 Ca 0.25 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1p81 s PRO 102 Cb -0.02 -2.72 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 1p81 s PRO 102 CO 0.16 -0.19 1.15 0.99 0.04 0.00 0.00 177.00 179.15 1p81 s THR 103 N -1.44 3.35 0.17 1.26 2.01 -1.26 -1.94 115.64 117.78 1p81 s THR 103 Ca 0.55 1.33 -0.09 0.00 0.31 0.00 0.00 61.69 63.79 1p81 s THR 103 Cb -0.28 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1p81 s THR 103 CO 0.36 0.30 0.48 -0.76 -0.69 0.00 0.00 174.62 174.31 1p81 s LEU 104 N -1.35 4.25 0.50 4.42 1.43 0.04 -4.95 118.68 123.03 1p81 s LEU 104 Ca 0.46 0.84 0.27 0.00 -1.03 0.00 0.00 54.13 54.68 1p81 s LEU 104 Cb -0.33 -3.39 1.34 0.00 0.03 0.00 0.00 46.19 43.83 1p81 s LEU 104 CO 0.43 0.03 2.01 0.25 0.23 0.00 0.00 176.35 179.31 1p81 h LEU 105 N 3.01 0.00 0.00 1.79 5.85 -1.95 -2.15 115.31 121.86 1p81 h LEU 105 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1p81 h LEU 105 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1p81 h LEU 105 CO 0.69 0.14 0.00 -1.84 -0.34 0.00 0.00 178.44 177.09 1p81 n GLU 106 N -3.56 0.65 -2.40 1.25 0.28 -1.26 -4.51 120.64 111.09 1p81 n GLU 106 Ca -0.01 0.01 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 1p81 n GLU 106 Cb 0.28 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.62 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 -2.09 6.15 0.40 -1.84 3.68 -0.81 -4.75 116.67 117.40 1p81 s ASP 107 Ca 0.32 -1.64 0.21 0.00 2.13 0.00 0.00 52.55 53.58 1p81 s ASP 107 Cb 0.16 -2.57 0.69 0.00 -1.45 0.00 0.00 42.92 39.74 1p81 s ASP 107 CO 0.28 -1.85 1.73 2.19 0.13 0.00 0.00 175.17 177.64 1p81 h PHE 108 N 9.40 0.00 -0.06 -5.34 -0.00 -1.90 -2.18 116.94 116.86 1p81 h PHE 108 Ca 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.19 1p81 h PHE 108 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.91 1p81 h PHE 108 CO 1.30 0.31 -0.10 0.82 -0.00 0.00 0.00 178.31 180.64 1p81 h ILE 109 N 0.00 1.40 0.13 0.88 2.04 -1.98 -0.77 117.51 119.22 1p81 h ILE 109 Ca -0.00 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 1p81 h ILE 109 Cb 0.91 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1p81 h ILE 109 CO 0.04 0.38 -0.08 0.25 0.00 0.00 0.00 178.15 178.74 1p81 h LEU 110 N -0.30 -0.20 -0.87 1.44 5.85 -1.93 -1.97 115.31 117.32 1p81 h LEU 110 Ca 0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1p81 h LEU 110 Cb 0.66 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1p81 h LEU 110 CO 0.02 -0.13 0.22 0.03 -0.34 0.00 0.00 178.44 178.25 1p81 h ARG 111 N -0.20 1.05 -0.33 1.25 3.08 -1.36 0.17 114.38 118.04 1p81 h ARG 111 Ca -0.01 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1p81 h ARG 111 Cb 0.17 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1p81 h ARG 111 CO 0.01 0.89 0.14 1.49 -1.07 0.00 0.00 179.97 181.44 1p81 h GLU 112 N 1.02 0.48 -0.15 0.04 4.81 -1.01 0.37 114.58 120.14 1p81 h GLU 112 Ca 0.23 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1p81 h GLU 112 Cb 0.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1p81 h GLU 112 CO -0.01 0.47 0.09 -0.22 -0.73 0.00 0.00 179.01 178.61 1p81 h LYS 113 N 0.38 0.20 -0.14 1.92 3.64 -0.76 -1.23 116.57 120.60 1p81 h LYS 113 Ca 0.11 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1p81 h LYS 113 Cb 0.16 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1p81 h LYS 113 CO -0.01 0.17 -0.55 0.82 -2.27 0.00 0.00 179.45 177.61 1p81 h ILE 114 N 0.18 1.34 -0.44 2.00 1.08 -0.90 -2.37 117.51 118.40 1p81 h ILE 114 Ca 0.05 -1.82 0.02 0.00 -0.39 0.00 0.00 64.86 62.72 1p81 h ILE 114 Cb 0.02 1.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 1p81 h ILE 114 CO -0.01 0.55 0.26 0.74 -0.69 0.00 0.00 178.15 179.00 1p81 h THR 115 N 0.31 1.05 -0.41 -0.27 2.02 -0.05 0.10 112.91 115.66 1p81 h THR 115 Ca 0.01 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1p81 h THR 115 Cb 1.06 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1p81 h THR 115 CO 0.09 0.09 0.20 -0.74 0.37 0.00 0.00 175.52 175.54 1p81 h HIS 116 N 0.52 0.58 -0.14 3.16 -0.00 -1.15 -2.47 115.15 115.66 1p81 h HIS 116 Ca 0.17 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1p81 h HIS 116 Cb 0.01 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 1p81 h HIS 116 CO -0.07 0.48 -0.07 0.35 -0.00 0.00 0.00 177.93 178.62 1p81 h PHE 117 N 0.52 -0.17 -0.21 5.26 3.57 -1.18 -2.43 116.94 122.30 1p81 h PHE 117 Ca 0.14 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1p81 h PHE 117 Cb 0.11 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1p81 h PHE 117 CO -0.01 -0.11 0.22 -0.44 -2.23 0.00 0.00 178.31 175.73 1p81 h ASP 118 N -0.06 0.00 -0.22 0.41 3.45 -0.57 -2.26 116.42 117.17 1p81 h ASP 118 Ca 0.08 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.42 1p81 h ASP 118 Cb 0.18 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.88 1p81 h ASP 118 CO -0.18 0.00 -0.24 1.41 -1.57 0.00 0.00 179.24 178.66 1p81 n HIS 119 N -3.82 0.69 0.07 4.55 8.25 -0.94 -4.81 115.22 119.21 1p81 n HIS 119 Ca 0.02 -1.57 -0.05 0.00 -0.26 0.00 0.00 57.72 55.86 1p81 n HIS 119 Cb 0.35 -0.41 0.14 0.00 1.12 0.00 0.00 29.99 31.19 1p81 n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1p81 h GLU 120 N 1.00 0.32 -6.74 -0.41 5.08 -1.19 -3.45 114.58 109.19 1p81 h GLU 120 Ca 0.14 -0.19 -0.49 0.00 -1.00 0.00 0.00 59.36 57.82 1p81 h GLU 120 Cb 1.42 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1p81 h GLU 120 CO 0.25 0.77 0.29 1.03 -1.00 0.00 0.00 179.01 180.35 1p81 s ARG 121 N -3.95 4.63 0.23 2.33 1.81 -1.26 -5.09 118.95 117.65 1p81 s ARG 121 Ca -0.05 1.29 0.10 0.00 -1.72 0.00 0.00 55.73 55.36 1p81 s ARG 121 Cb 0.12 -3.04 -0.04 0.00 -0.45 0.00 0.00 34.95 31.54 1p81 s ARG 121 CO 0.80 0.42 -0.12 0.96 -0.68 0.00 0.00 175.30 176.68 1p81 s ILE 122 N -1.39 2.93 0.31 1.52 -4.36 -1.26 -5.10 121.20 113.85 1p81 s ILE 122 Ca 0.44 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 1p81 s ILE 122 Cb -0.21 -2.51 -0.13 0.00 1.25 0.00 0.00 42.46 40.86 1p81 s ILE 122 CO 0.26 -0.27 1.20 -2.65 0.24 0.00 0.00 174.94 173.73 1p81 n PRO 123 N -0.37 1.81 -1.83 0.37 -0.02 -1.26 -4.98 135.00 128.72 1p81 n PRO 123 Ca -0.08 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1p81 n PRO 123 Cb 0.58 -2.15 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.56 2.32 0.55 -0.52 -1.05 -1.26 -4.83 118.70 112.35 1p81 s GLU 124 Ca 0.58 0.34 -0.21 0.00 -0.15 0.00 0.00 54.97 55.53 1p81 s GLU 124 Cb -0.63 -1.97 -0.05 0.00 -0.44 0.00 0.00 34.13 31.04 1p81 s GLU 124 CO 0.60 -1.39 1.33 1.03 0.95 0.00 0.00 175.26 177.78 1p81 s ARG 125 N -5.42 3.16 0.20 -4.83 0.52 -1.26 -4.89 118.95 106.43 1p81 s ARG 125 Ca 0.60 2.16 -0.11 0.00 -0.52 0.00 0.00 55.73 57.87 1p81 s ARG 125 Cb -0.12 -2.23 0.17 0.00 0.52 0.00 0.00 34.95 33.29 1p81 s ARG 125 CO 0.51 -1.15 1.84 0.82 0.02 0.00 0.00 175.30 177.34 1p81 h ILE 126 N 1.41 1.08 -3.69 1.52 1.08 -1.98 -3.36 117.51 113.58 1p81 h ILE 126 Ca -0.51 -0.28 -0.31 0.00 -0.39 0.00 0.00 64.86 63.37 1p81 h ILE 126 Cb 1.30 0.21 -0.17 0.00 -3.07 0.00 0.00 36.82 35.09 1p81 h ILE 126 CO 0.57 0.15 -0.73 0.68 -0.69 0.00 0.00 178.15 178.13 1p81 s VAL 127 N -6.12 0.95 -1.36 1.67 -7.23 -1.26 -4.79 120.40 102.26 1p81 s VAL 127 Ca -0.13 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1p81 s VAL 127 Cb 0.15 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.63 1p81 s VAL 127 CO 0.76 -0.61 0.02 1.41 -0.31 0.00 0.00 175.10 176.37 1p81 n HIS 128 N 0.40 -0.79 0.20 2.82 8.25 0.06 -4.90 115.22 121.27 1p81 n HIS 128 Ca -0.15 0.02 0.06 0.00 -0.26 0.00 0.00 57.72 57.39 1p81 n HIS 128 Cb 0.58 -3.30 0.54 0.00 1.12 0.00 0.00 29.99 28.93 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 0.76 1.80 -2.27 -1.41 0.00 -1.71 -3.39 119.26 113.05 1p81 h ALA 129 Ca -0.38 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 1p81 h ALA 129 Cb 1.28 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1p81 h ALA 129 CO 0.45 0.15 0.20 0.50 0.00 0.00 0.00 179.25 180.55 1p81 s ARG 130 N -4.92 3.64 0.07 0.00 6.06 -1.25 -4.10 118.95 118.45 1p81 s ARG 130 Ca -0.05 0.06 -0.21 0.00 -2.50 0.00 0.00 55.73 53.03 1p81 s ARG 130 Cb 0.16 -3.83 0.05 0.00 0.06 0.00 0.00 34.95 31.40 1p81 s ARG 130 CO 0.69 -0.80 0.50 0.20 -2.50 0.00 0.00 175.30 173.39 1p81 s GLY 131 N 1.84 -0.40 -0.02 8.12 0.00 -1.26 -1.68 107.32 113.91 1p81 s GLY 131 Ca 0.26 0.47 0.03 0.00 0.00 0.00 0.00 44.72 45.47 1p81 s GLY 131 CO 0.16 0.18 -0.10 -0.56 0.00 0.00 0.00 173.10 172.77 1p81 s SER 132 N -2.15 1.30 0.10 1.64 0.01 0.42 -4.95 113.70 110.06 1p81 s SER 132 Ca -0.04 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1p81 s SER 132 Cb -0.00 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1p81 s SER 132 CO -0.04 0.09 -0.07 0.00 0.41 0.00 0.00 173.24 173.62 1p81 s ALA 133 N 0.09 1.00 0.11 1.44 0.00 -1.26 0.09 121.76 123.23 1p81 s ALA 133 Ca -0.02 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1p81 s ALA 133 Cb -0.08 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1p81 s ALA 133 CO 0.00 -0.19 0.33 0.00 0.00 0.00 0.00 175.76 175.90 1p81 s ALA 134 N -3.35 -0.70 0.33 0.00 0.00 -0.43 -4.58 121.76 113.03 1p81 s ALA 134 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 1p81 s ALA 134 Cb 0.03 0.62 -0.08 0.00 0.00 0.00 0.00 23.12 23.70 1p81 s ALA 134 CO -0.04 -0.60 0.71 -1.01 0.00 0.00 0.00 175.76 174.83 1p81 s HIS 135 N -3.80 3.41 0.00 0.00 3.76 0.53 -1.35 115.29 117.84 1p81 s HIS 135 Ca 0.03 1.08 0.00 0.00 -0.15 0.00 0.00 55.06 56.03 1p81 s HIS 135 Cb 0.03 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.27 1p81 s HIS 135 CO -0.12 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.25 1p81 n GLY 136 N -0.65 2.18 3.26 -2.22 0.00 -0.33 -1.27 105.19 106.16 1p81 n GLY 136 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1p81 n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p81 s TYR 137 N -2.18 -0.08 0.08 1.61 -0.85 -0.38 -0.98 117.35 114.58 1p81 s TYR 137 Ca 0.00 -0.14 0.07 0.00 -0.52 0.00 0.00 57.07 56.48 1p81 s TYR 137 Cb 0.00 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 1p81 s TYR 137 CO 0.00 -0.54 -0.18 0.12 -1.52 0.00 0.00 175.55 173.42 1p81 s PHE 138 N -2.98 1.57 -0.13 -3.49 5.36 0.12 -0.94 117.98 117.48 1p81 s PHE 138 Ca -0.02 -0.42 -0.07 0.00 -0.96 0.00 0.00 56.93 55.46 1p81 s PHE 138 Cb 0.01 -0.88 0.05 0.00 -0.34 0.00 0.00 43.02 41.86 1p81 s PHE 138 CO -0.06 0.13 0.30 -1.14 -1.46 0.00 0.00 175.22 173.00 1p81 s GLN 139 N -1.72 0.28 0.43 10.12 0.74 -0.58 -0.84 119.66 128.09 1p81 s GLN 139 Ca 0.03 0.60 -0.22 0.00 0.05 0.00 0.00 55.36 55.82 1p81 s GLN 139 Cb -0.10 -0.05 -0.09 0.00 1.10 0.00 0.00 33.01 33.87 1p81 s GLN 139 CO 0.03 -0.15 1.02 -1.25 -0.55 0.00 0.00 175.29 174.40 1p81 s PRO 140 N 1.16 4.08 0.17 1.67 0.04 -1.26 -1.40 135.00 139.47 1p81 s PRO 140 Ca -0.08 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 1p81 s PRO 140 Cb -0.09 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1p81 s PRO 140 CO -0.09 -0.19 1.43 1.88 0.04 0.00 0.00 177.00 180.07 1p81 h TYR 141 N 2.13 0.55 -3.84 0.56 0.99 -1.35 -3.39 116.97 112.63 1p81 h TYR 141 Ca -0.49 -0.25 -0.10 0.00 2.00 0.00 0.00 58.73 59.90 1p81 h TYR 141 Cb 1.21 -0.08 -0.12 0.00 1.00 0.00 0.00 36.73 38.73 1p81 h TYR 141 CO 0.58 1.00 -0.28 -1.59 -0.00 0.00 0.00 178.16 177.88 1p81 s LYS 142 N -3.61 1.22 0.14 4.88 -2.85 -1.26 -4.76 119.74 113.50 1p81 s LYS 142 Ca -0.06 -1.17 -0.31 0.00 -1.00 0.00 0.00 55.97 53.43 1p81 s LYS 142 Cb 0.10 0.40 -0.08 0.00 -2.06 0.00 0.00 37.83 36.18 1p81 s LYS 142 CO 0.84 -0.46 1.41 0.45 0.10 0.00 0.00 175.35 177.69 1p81 s SER 143 N -2.97 6.79 -0.33 0.03 0.15 -1.26 -4.62 113.70 111.48 1p81 s SER 143 Ca 0.18 2.40 0.09 0.00 0.70 0.00 0.00 55.95 59.32 1p81 s SER 143 Cb 0.03 -2.59 0.64 0.00 -1.71 0.00 0.00 66.02 62.38 1p81 s SER 143 CO 0.01 -0.66 1.70 0.18 1.20 0.00 0.00 173.24 175.67 1p81 n LEU 144 N 3.67 5.46 0.33 3.45 4.77 0.02 -4.68 117.00 130.02 1p81 n LEU 144 Ca 0.11 -3.44 0.22 0.00 -0.03 0.00 0.00 56.01 52.87 1p81 n LEU 144 Cb 0.42 -0.71 1.16 0.00 -2.33 0.00 0.00 43.42 41.95 1p81 n LEU 144 CO 0.59 0.97 1.17 0.77 -1.33 0.00 0.00 177.39 179.55 1p81 h SER 145 N 1.71 0.00 0.42 -1.43 4.64 -1.77 -1.17 113.55 115.95 1p81 h SER 145 Ca 0.31 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 1p81 h SER 145 Cb 2.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.26 1p81 h SER 145 CO 0.67 0.00 -0.34 0.44 -0.87 0.00 0.00 176.83 176.74 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 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1p81 h ASP 146 CO 0.00 0.34 -1.21 2.30 -1.57 0.00 0.00 179.24 179.10 1p81 n ILE 147 N -3.98 0.00 -3.75 0.35 -5.35 -0.55 -4.85 119.36 101.24 1p81 n ILE 147 Ca -0.02 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 1p81 n ILE 147 Cb 0.39 0.42 -0.11 0.00 -1.74 0.00 0.00 39.64 38.60 1p81 n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1p81 s THR 148 N -2.40 -0.00 -1.58 7.28 -1.32 -0.57 -3.28 115.64 113.77 1p81 s THR 148 Ca -0.02 0.01 0.10 0.00 -1.21 0.00 0.00 61.69 60.57 1p81 s THR 148 Cb 0.05 -0.51 0.37 0.00 -1.51 0.00 0.00 72.50 70.89 1p81 s THR 148 CO 0.30 0.00 1.24 2.29 -2.21 0.00 0.00 174.62 176.24 1p81 n LYS 149 N 2.95 2.23 -1.92 7.08 2.85 0.05 -3.86 118.16 127.54 1p81 n LYS 149 Ca -0.14 -1.46 -0.43 0.00 -1.05 0.00 0.00 58.31 55.24 1p81 n LYS 149 Cb 0.57 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.44 1p81 n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p81 s ALA 150 N -1.62 3.37 0.28 0.58 0.00 -1.23 -4.67 121.76 118.47 1p81 s ALA 150 Ca 0.26 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1p81 s ALA 150 Cb 0.16 -3.85 0.57 0.00 0.00 0.00 0.00 23.12 20.00 1p81 s ALA 150 CO 0.15 -1.81 1.81 0.22 0.00 0.00 0.00 175.76 176.12 1p81 h ASP 151 N 10.90 0.80 0.43 0.00 3.58 -1.91 -1.46 116.42 128.75 1p81 h ASP 151 Ca -0.40 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1p81 h ASP 151 Cb 1.19 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1p81 h ASP 151 CO 0.97 0.39 0.00 2.22 -2.88 0.00 0.00 179.24 179.94 1p81 n PHE 152 N -4.71 0.48 -0.49 0.28 1.16 -1.26 -1.64 117.46 111.29 1p81 n PHE 152 Ca 0.19 0.21 0.07 0.00 -1.87 0.00 0.00 57.45 56.04 1p81 n PHE 152 Cb 0.40 -0.84 0.19 0.00 -1.61 0.00 0.00 39.48 37.63 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 -1.96 3.27 -0.13 5.98 4.77 -0.56 -4.63 117.00 123.74 1p81 n LEU 153 Ca 0.01 -2.40 0.13 0.00 -0.03 0.00 0.00 56.01 53.72 1p81 n LEU 153 Cb 0.14 -0.35 0.35 0.00 -2.33 0.00 0.00 43.42 41.23 1p81 n LEU 153 CO 0.13 0.70 0.59 -1.54 -1.33 0.00 0.00 177.39 175.95 1p81 n SER 154 N 0.08 0.75 -3.64 -1.43 3.41 -0.65 -0.79 113.62 111.34 1p81 n SER 154 Ca 0.15 -0.58 -0.05 0.00 -0.26 0.00 0.00 58.87 58.13 1p81 n SER 154 Cb 0.60 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 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 -2.71 -1.00 0.59 4.04 3.68 -1.26 -4.59 116.67 115.42 1p81 s ASP 155 Ca 0.19 1.52 0.29 0.00 2.13 0.00 0.00 52.55 56.68 1p81 s ASP 155 Cb 0.19 1.68 1.69 0.00 -1.45 0.00 0.00 42.92 45.02 1p81 s ASP 155 CO 0.59 -0.23 2.12 1.55 0.13 0.00 0.00 175.17 179.33 1p81 h PRO 156 N 7.35 0.00 0.00 4.34 0.13 -1.82 0.13 132.00 142.14 1p81 h PRO 156 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 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 0.14 0.00 -0.30 0.09 -0.23 0.00 0.00 178.00 177.70 1p81 n ASN 157 N -3.79 0.41 -4.64 1.44 3.02 -1.26 -4.55 115.26 105.88 1p81 n ASN 157 Ca 0.01 0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 1p81 n ASN 157 Cb 0.29 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1p81 n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1p81 s LYS 158 N -3.04 4.12 -0.13 3.52 2.20 0.03 -5.01 119.74 121.43 1p81 s LYS 158 Ca 0.11 1.15 -0.03 0.00 -0.36 0.00 0.00 55.97 56.84 1p81 s LYS 158 Cb 0.17 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1p81 s LYS 158 CO 0.64 -0.81 -0.02 0.96 -0.36 0.00 0.00 175.35 175.76 1p81 s ILE 159 N 3.50 4.09 -0.21 5.43 -5.25 -1.26 -4.41 121.20 123.08 1p81 s ILE 159 Ca 0.45 -0.30 -0.02 0.00 -0.99 0.00 0.00 60.65 59.79 1p81 s ILE 159 Cb -0.13 -2.77 0.01 0.00 2.95 0.00 0.00 42.46 42.52 1p81 s ILE 159 CO 0.12 0.53 -0.09 -0.89 -1.79 0.00 0.00 174.94 172.82 1p81 s THR 160 N -0.07 2.86 0.61 8.37 2.01 -0.02 -4.95 115.64 124.45 1p81 s THR 160 Ca 0.03 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 1p81 s THR 160 Cb -0.13 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1p81 s THR 160 CO 0.02 0.41 1.31 -2.84 -0.69 0.00 0.00 174.62 172.83 1p81 s PRO 161 N 1.39 2.76 0.07 4.92 0.02 -1.26 0.11 135.00 143.01 1p81 s PRO 161 Ca 0.04 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.18 1p81 s PRO 161 Cb -0.14 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1p81 s PRO 161 CO -0.06 -1.45 -0.05 0.14 -0.33 0.00 0.00 177.00 175.25 1p81 s VAL 162 N -1.37 0.46 -0.08 3.83 -7.23 -0.15 -2.04 120.40 113.82 1p81 s VAL 162 Ca 0.79 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1p81 s VAL 162 Cb -0.38 -1.52 0.03 0.00 0.56 0.00 0.00 36.38 35.07 1p81 s VAL 162 CO 0.42 -0.89 0.01 0.12 -0.31 0.00 0.00 175.10 174.44 1p81 s PHE 163 N -3.58 0.67 -0.08 2.82 5.36 -0.80 -1.19 117.98 121.18 1p81 s PHE 163 Ca 0.08 -0.21 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 1p81 s PHE 163 Cb 0.05 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.91 1p81 s PHE 163 CO -0.07 -0.35 -0.19 0.08 -1.46 0.00 0.00 175.22 173.23 1p81 s VAL 164 N 1.97 2.57 -0.13 3.12 1.01 -0.46 -0.62 120.40 127.88 1p81 s VAL 164 Ca 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1p81 s VAL 164 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1p81 s VAL 164 CO -0.05 0.56 -0.22 -0.60 0.00 0.00 0.00 175.10 174.79 1p81 s ARG 165 N -0.13 3.06 0.11 2.72 3.52 -0.09 -1.32 118.95 126.82 1p81 s ARG 165 Ca -0.03 -0.85 0.02 0.00 -0.13 0.00 0.00 55.73 54.74 1p81 s ARG 165 Cb -0.14 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.80 1p81 s ARG 165 CO 0.04 0.07 0.21 -0.06 -0.81 0.00 0.00 175.30 174.75 1p81 s PHE 166 N 0.63 3.41 0.33 5.12 0.40 0.11 -1.55 117.98 126.43 1p81 s PHE 166 Ca -0.11 0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 56.17 1p81 s PHE 166 Cb -0.16 -1.67 0.04 0.00 0.51 0.00 0.00 43.02 41.73 1p81 s PHE 166 CO 0.02 0.54 0.75 -1.54 0.70 0.00 0.00 175.22 175.70 1p81 s SER 167 N -2.85 -0.12 0.05 1.36 1.04 -0.41 -0.44 113.70 112.32 1p81 s SER 167 Ca 0.33 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1p81 s SER 167 Cb -0.12 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1p81 s SER 167 CO 0.27 -1.52 0.00 0.35 0.98 0.00 0.00 173.24 173.31 1p81 n THR 168 N -0.50 0.00 0.00 2.02 -2.24 -0.67 0.20 114.28 113.10 1p81 n THR 168 Ca -0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1p81 n THR 168 Cb 0.59 -1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1p81 n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p81 n VAL 169 N -0.82 0.28 -0.03 2.28 0.31 -1.26 -3.92 118.33 115.17 1p81 n VAL 169 Ca 0.00 0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 64.24 1p81 n VAL 169 Cb 0.00 -1.53 -0.13 0.00 -0.91 0.00 0.00 33.84 31.27 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 -0.04 0.12 -7.29 5.55 -0.00 -1.95 0.21 115.11 111.71 1p81 h GLN 170 Ca -0.02 -0.17 -0.48 0.00 -0.00 0.00 0.00 58.65 57.97 1p81 h GLN 170 Cb 0.84 0.06 0.17 0.00 0.00 0.00 0.00 27.48 28.54 1p81 h GLN 170 CO -0.01 1.02 0.21 0.20 0.00 0.00 0.00 178.83 180.24 1p81 s GLY 171 N -4.15 1.62 0.98 2.39 0.00 -1.26 -4.77 107.32 102.13 1p81 s GLY 171 Ca -0.17 0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.46 1p81 s GLY 171 CO 0.74 0.56 1.15 -0.32 0.00 0.00 0.00 173.10 175.22 1p81 s GLY 172 N -3.14 1.60 0.60 0.20 0.00 -1.26 -3.74 107.32 101.57 1p81 s GLY 172 Ca 0.65 -0.65 0.31 0.00 0.00 0.00 0.00 44.72 45.03 1p81 s GLY 172 CO 0.58 -0.00 2.24 0.00 0.00 0.00 0.00 173.10 175.92 1p81 h ALA 173 N -1.76 1.53 -0.56 3.20 0.00 -1.95 -1.07 119.26 118.64 1p81 h ALA 173 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1p81 h ALA 173 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1p81 h ALA 173 CO 0.54 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1p81 n GLY 174 N -1.32 1.70 3.92 0.00 0.00 -1.26 -4.72 105.19 103.52 1p81 n GLY 174 Ca -0.02 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1p81 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p81 s SER 175 N -0.98 4.34 0.44 1.61 1.04 -0.40 -5.06 113.70 114.69 1p81 s SER 175 Ca 0.38 0.51 -0.22 0.00 0.48 0.00 0.00 55.95 57.10 1p81 s SER 175 Cb 0.20 -0.96 -0.09 0.00 0.10 0.00 0.00 66.02 65.27 1p81 s SER 175 CO 0.25 -1.96 1.04 0.00 0.98 0.00 0.00 173.24 173.55 1p81 s ALA 176 N -3.50 2.98 -0.05 5.32 0.00 -1.26 -4.91 121.76 120.34 1p81 s ALA 176 Ca 0.64 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 1p81 s ALA 176 Cb -0.09 -3.25 -0.20 0.00 0.00 0.00 0.00 23.12 19.58 1p81 s ALA 176 CO 0.48 -0.23 1.05 -0.44 0.00 0.00 0.00 175.76 176.63 1p81 h ASP 177 N 2.01 -0.07 -0.43 0.00 3.45 -0.41 -3.37 116.42 117.59 1p81 h ASP 177 Ca -0.49 -0.51 -0.30 0.00 0.43 0.00 0.00 57.03 56.16 1p81 h ASP 177 Cb 1.21 0.02 -0.11 0.00 -0.56 0.00 0.00 39.33 39.90 1p81 h ASP 177 CO 0.61 0.51 0.02 0.35 -1.57 0.00 0.00 179.24 179.16 1p81 n THR 178 N -4.85 2.99 -1.76 0.35 -2.24 -1.26 -4.92 114.28 102.59 1p81 n THR 178 Ca -0.08 -1.95 -0.29 0.00 -2.27 0.00 0.00 64.05 59.46 1p81 n THR 178 Cb 0.29 -1.73 0.12 0.00 -2.10 0.00 0.00 70.33 66.91 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 -0.62 1.99 -0.39 2.28 -7.23 -1.26 -4.38 120.40 110.79 1p81 s VAL 179 Ca 0.53 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.54 1p81 s VAL 179 Cb 0.30 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 34.35 1p81 s VAL 179 CO -0.08 0.00 0.39 -0.60 -0.31 0.00 0.00 175.10 174.50 1p81 s ARG 180 N -5.52 3.23 0.00 4.82 3.52 -1.26 -4.52 118.95 119.22 1p81 s ARG 180 Ca 0.65 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 1p81 s ARG 180 Cb -0.11 -3.92 0.10 0.00 -1.56 0.00 0.00 34.95 29.46 1p81 s ARG 180 CO 0.51 -0.73 0.92 -1.21 -0.81 0.00 0.00 175.30 173.98 1p81 s GLU 181 N 2.03 0.83 0.88 5.12 2.02 -0.65 -4.61 118.70 124.33 1p81 s GLU 181 Ca 0.11 -0.33 -0.10 0.00 0.02 0.00 0.00 54.97 54.66 1p81 s GLU 181 Cb -0.17 0.37 0.13 0.00 0.10 0.00 0.00 34.13 34.55 1p81 s GLU 181 CO 0.12 -0.37 1.13 0.42 0.02 0.00 0.00 175.26 176.58 1p81 s ILE 182 N -3.09 2.42 0.05 -1.63 -1.09 -1.26 -4.53 121.20 112.07 1p81 s ILE 182 Ca 0.06 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.70 1p81 s ILE 182 Cb -0.01 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 1p81 s ILE 182 CO -0.07 -0.18 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.11 1p81 s ARG 183 N -4.72 1.40 0.32 2.79 1.81 -1.26 -4.09 118.95 115.20 1p81 s ARG 183 Ca 0.65 -0.98 -0.12 0.00 -1.72 0.00 0.00 55.73 53.57 1p81 s ARG 183 Cb -0.21 -1.53 -0.08 0.00 -0.45 0.00 0.00 34.95 32.68 1p81 s ARG 183 CO 0.58 0.39 0.69 0.20 -0.68 0.00 0.00 175.30 176.47 1p81 s GLY 184 N -1.26 2.17 -0.35 -3.53 0.00 0.13 -0.96 107.32 103.53 1p81 s GLY 184 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.67 1p81 s GLY 184 CO 0.02 0.03 0.37 -0.12 0.00 0.00 0.00 173.10 173.40 1p81 s PHE 185 N -2.06 -0.43 -0.15 1.90 2.19 0.80 -1.29 117.98 118.94 1p81 s PHE 185 Ca 0.51 -0.56 -0.03 0.00 0.33 0.00 0.00 56.93 57.19 1p81 s PHE 185 Cb -0.10 -0.38 -0.02 0.00 -1.31 0.00 0.00 43.02 41.20 1p81 s PHE 185 CO 0.23 -0.97 -0.06 0.00 1.83 0.00 0.00 175.22 176.25 1p81 s ALA 186 N 1.75 2.89 -0.11 11.12 0.00 -0.60 -0.97 121.76 135.84 1p81 s ALA 186 Ca 0.15 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1p81 s ALA 186 Cb -0.14 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.52 1p81 s ALA 186 CO -0.13 0.21 -0.17 0.99 0.00 0.00 0.00 175.76 176.66 1p81 s THR 187 N 0.39 1.66 -0.34 0.00 2.01 0.22 -0.91 115.64 118.66 1p81 s THR 187 Ca -0.06 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 1p81 s THR 187 Cb -0.15 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.88 1p81 s THR 187 CO 0.04 0.47 0.19 -0.75 -0.69 0.00 0.00 174.62 173.88 1p81 s LYS 188 N 0.86 3.15 -0.34 4.92 2.20 0.21 -0.40 119.74 130.34 1p81 s LYS 188 Ca -0.09 -0.86 -0.15 0.00 -0.36 0.00 0.00 55.97 54.51 1p81 s LYS 188 Cb -0.15 -3.68 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1p81 s LYS 188 CO -0.00 -0.54 0.38 -0.06 -0.36 0.00 0.00 175.35 174.77 1p81 s PHE 189 N 1.61 3.21 -1.14 4.03 0.40 0.54 -1.91 117.98 124.71 1p81 s PHE 189 Ca 0.04 0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.22 1p81 s PHE 189 Cb -0.18 -2.69 0.13 0.00 0.51 0.00 0.00 43.02 40.79 1p81 s PHE 189 CO 0.07 -0.43 1.42 0.71 0.70 0.00 0.00 175.22 177.69 1p81 s TYR 190 N 2.06 3.18 0.59 0.36 2.02 -0.87 -1.43 117.35 123.26 1p81 s TYR 190 Ca 0.13 -1.74 -0.03 0.00 -0.37 0.00 0.00 57.07 55.06 1p81 s TYR 190 Cb -0.16 -4.43 0.03 0.00 -0.40 0.00 0.00 41.96 37.00 1p81 s TYR 190 CO 0.12 -1.55 0.86 0.95 -1.57 0.00 0.00 175.55 174.35 1p81 s THR 191 N 2.67 2.94 -0.89 -0.71 -4.23 -0.95 -4.34 115.64 110.13 1p81 s THR 191 Ca 0.43 -0.39 0.22 0.00 -1.18 0.00 0.00 61.69 60.77 1p81 s THR 191 Cb -0.02 -3.16 0.20 0.00 1.34 0.00 0.00 72.50 70.86 1p81 s THR 191 CO -0.02 -0.14 1.69 -0.62 -0.54 0.00 0.00 174.62 175.00 1p81 n GLU 192 N -2.52 0.06 -0.50 3.99 1.02 -1.26 -2.55 120.64 118.88 1p81 n GLU 192 Ca 0.06 0.19 0.06 0.00 -0.02 0.00 0.00 57.16 57.46 1p81 n GLU 192 Cb 0.59 -1.59 0.20 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.70 1.55 0.00 3.49 1.02 -1.26 -4.81 120.64 118.92 1p81 n GLU 193 Ca 0.05 -3.16 0.00 0.00 -0.02 0.00 0.00 57.16 54.03 1p81 n GLU 193 Cb 0.27 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.18 2.80 3.72 0.62 0.00 -1.06 -4.73 105.19 105.37 1p81 n GLY 194 Ca 0.19 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.56 3.68 -0.23 -0.61 -1.09 -1.26 -2.24 121.20 116.89 1p81 s ILE 195 Ca 0.00 1.28 0.01 0.00 -2.23 0.00 0.00 60.65 59.71 1p81 s ILE 195 Cb 0.00 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1p81 s ILE 195 CO 0.00 0.14 -0.13 0.12 -1.23 0.00 0.00 174.94 173.84 1p81 s PHE 196 N 0.62 3.06 -0.24 3.97 5.36 -0.52 -4.21 117.98 126.03 1p81 s PHE 196 Ca 0.58 -1.95 -0.13 0.00 -0.96 0.00 0.00 56.93 54.46 1p81 s PHE 196 Cb -0.32 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 1p81 s PHE 196 CO 0.33 -0.83 0.28 -0.51 -1.46 0.00 0.00 175.22 173.03 1p81 s ASP 197 N 1.21 6.24 -0.50 6.13 -0.00 -0.36 -0.34 116.67 129.05 1p81 s ASP 197 Ca -0.02 0.27 -0.10 0.00 -0.00 0.00 0.00 52.55 52.70 1p81 s ASP 197 Cb -0.17 -2.17 0.13 0.00 -0.00 0.00 0.00 42.92 40.71 1p81 s ASP 197 CO -0.08 -0.04 0.38 -0.22 -0.00 0.00 0.00 175.17 175.21 1p81 s LEU 198 N 1.41 5.78 -0.77 1.23 0.20 0.46 -4.42 118.68 122.57 1p81 s LEU 198 Ca 0.13 -1.97 -0.10 0.00 0.69 0.00 0.00 54.13 52.88 1p81 s LEU 198 Cb -0.15 -2.03 0.20 0.00 -0.43 0.00 0.00 46.19 43.78 1p81 s LEU 198 CO 0.07 -0.69 0.66 -0.69 -0.29 0.00 0.00 176.35 175.41 1p81 s VAL 199 N 1.28 4.93 0.20 1.68 1.01 -1.26 -0.61 120.40 127.63 1p81 s VAL 199 Ca 0.06 -2.70 0.01 0.00 0.00 0.00 0.00 61.98 59.35 1p81 s VAL 199 Cb -0.26 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1p81 s VAL 199 CO -0.01 -0.98 0.06 0.61 0.00 0.00 0.00 175.10 174.78 1p81 n GLY 200 N 3.73 3.53 3.25 4.51 0.00 -0.14 -4.89 105.19 115.17 1p81 n GLY 200 Ca 0.12 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.46 1.04 -1.27 1.61 3.02 -0.68 -0.14 115.26 117.38 1p81 n ASN 201 Ca -0.05 -3.11 0.08 0.00 -0.03 0.00 0.00 54.58 51.47 1p81 n ASN 201 Cb 0.24 1.06 0.28 0.00 -0.61 0.00 0.00 39.78 40.75 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 -1.56 3.72 -3.99 6.41 6.94 -0.13 -0.53 115.26 126.12 1p81 n ASN 202 Ca -0.04 -2.24 -0.12 0.00 -0.02 0.00 0.00 54.58 52.16 1p81 n ASN 202 Cb 0.59 -0.48 -0.12 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.59 0.29 -1.24 5.53 -4.23 -1.26 -4.54 115.64 108.60 1p81 s THR 203 Ca 0.41 -0.69 0.23 0.00 -1.18 0.00 0.00 61.69 60.46 1p81 s THR 203 Cb 0.25 -0.35 0.31 0.00 1.34 0.00 0.00 72.50 74.04 1p81 s THR 203 CO 0.23 -0.26 1.73 -0.81 -0.54 0.00 0.00 174.62 174.97 1p81 n PRO 204 N 2.05 0.18 -4.45 3.99 -0.04 -1.26 -4.62 135.00 130.86 1p81 n PRO 204 Ca -0.20 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1p81 n PRO 204 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.76 0.95 0.46 0.52 -0.00 -1.26 -4.51 121.20 114.60 1p81 s ILE 205 Ca 0.17 -2.00 0.06 0.00 -0.00 0.00 0.00 60.65 58.88 1p81 s ILE 205 Cb 0.15 -2.65 -0.02 0.00 -0.00 0.00 0.00 42.46 39.94 1p81 s ILE 205 CO 0.37 0.00 0.24 0.12 -0.00 0.00 0.00 174.94 175.67 1p81 s PHE 206 N -3.34 2.25 0.18 1.37 2.19 0.55 -4.89 117.98 116.28 1p81 s PHE 206 Ca 0.33 -0.70 0.03 0.00 0.33 0.00 0.00 56.93 56.93 1p81 s PHE 206 Cb 0.07 -1.92 0.04 0.00 -1.31 0.00 0.00 43.02 39.90 1p81 s PHE 206 CO 0.15 -0.02 1.41 0.74 1.83 0.00 0.00 175.22 179.33 1p81 h PHE 207 N 1.19 0.27 -2.65 10.12 -1.00 -1.88 -3.39 116.94 119.59 1p81 h PHE 207 Ca -0.41 -0.14 -0.56 0.00 2.81 0.00 0.00 57.97 59.66 1p81 h PHE 207 Cb 1.28 -0.03 -0.15 0.00 3.61 0.00 0.00 35.95 40.65 1p81 h PHE 207 CO 0.83 0.93 -0.76 0.96 -1.61 0.00 0.00 178.31 178.65 1p81 s ILE 208 N -3.30 2.19 -0.10 -0.55 -4.36 -1.26 -2.87 121.20 110.96 1p81 s ILE 208 Ca -0.03 -2.24 0.08 0.00 -0.26 0.00 0.00 60.65 58.20 1p81 s ILE 208 Cb 0.10 -2.15 -0.24 0.00 1.25 0.00 0.00 42.46 41.43 1p81 s ILE 208 CO 0.82 -0.40 0.46 0.00 0.24 0.00 0.00 174.94 176.06 1p81 n GLN 209 N -0.32 0.67 -5.11 0.37 6.02 -1.26 -4.60 117.38 113.14 1p81 n GLN 209 Ca -0.08 0.24 -0.29 0.00 -0.01 0.00 0.00 57.00 56.86 1p81 n GLN 209 Cb 0.59 -1.72 -0.16 0.00 1.02 0.00 0.00 30.24 29.97 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 -6.25 2.66 0.62 1.08 -1.08 -1.26 -2.91 116.67 109.53 1p81 s ASP 210 Ca -0.11 -0.42 0.36 0.00 -0.52 0.00 0.00 52.55 51.86 1p81 s ASP 210 Cb 0.07 -0.40 2.06 0.00 -1.46 0.00 0.00 42.92 43.20 1p81 s ASP 210 CO 0.80 0.26 2.29 0.00 0.52 0.00 0.00 175.17 179.04 1p81 h ALA 211 N 5.71 1.33 0.00 3.66 0.00 -1.65 -2.00 119.26 126.31 1p81 h ALA 211 Ca -0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1p81 h ALA 211 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1p81 h ALA 211 CO 0.47 -0.02 -0.02 1.25 0.00 0.00 0.00 179.25 180.93 1p81 h HIS 212 N 0.00 0.00 -0.01 0.00 6.17 -1.95 -1.47 115.15 117.89 1p81 h HIS 212 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1p81 h HIS 212 Cb 0.04 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.97 1p81 h HIS 212 CO 0.00 0.02 -0.14 1.63 0.71 0.00 0.00 177.93 180.15 1p81 n LYS 213 N -4.02 0.94 -0.15 5.26 5.02 -0.75 -4.48 118.16 119.99 1p81 n LYS 213 Ca -0.03 -0.46 -0.04 0.00 -2.02 0.00 0.00 58.31 55.77 1p81 n LYS 213 Cb 0.11 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1p81 n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1p81 h PHE 214 N 1.11 -0.37 -0.68 2.13 3.04 -1.41 -0.82 116.94 119.94 1p81 h PHE 214 Ca 0.00 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.01 1p81 h PHE 214 Cb 0.42 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 1p81 h PHE 214 CO 0.00 -0.25 0.45 -1.35 -2.02 0.00 0.00 178.31 175.14 1p81 h PRO 215 N -0.05 0.87 0.47 6.41 0.11 -1.81 -0.07 132.00 137.91 1p81 h PRO 215 Ca 0.23 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1p81 h PRO 215 Cb 0.40 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1p81 h PRO 215 CO -0.51 0.57 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.19 1p81 h ASP 216 N 0.89 -0.53 -0.29 -2.05 3.45 -1.47 -0.34 116.42 116.09 1p81 h ASP 216 Ca 0.26 -0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.68 1p81 h ASP 216 Cb -0.06 0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1p81 h ASP 216 CO -0.06 -0.27 0.15 0.15 -1.57 0.00 0.00 179.24 177.64 1p81 h PHE 217 N -0.78 0.29 -0.49 4.55 3.04 -1.11 -1.13 116.94 121.31 1p81 h PHE 217 Ca -0.06 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 1p81 h PHE 217 Cb 0.55 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1p81 h PHE 217 CO -0.01 0.16 0.05 0.28 -2.02 0.00 0.00 178.31 176.77 1p81 h VAL 218 N 0.32 1.25 -0.97 1.41 2.07 -1.03 -1.32 116.25 117.98 1p81 h VAL 218 Ca 0.12 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1p81 h VAL 218 Cb 0.02 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1p81 h VAL 218 CO -0.07 0.35 0.63 0.45 0.02 0.00 0.00 177.57 178.94 1p81 h HIS 219 N 0.70 1.24 -0.38 1.57 3.86 -0.91 -0.12 115.15 121.11 1p81 h HIS 219 Ca 0.15 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1p81 h HIS 219 Cb 0.44 -0.42 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1p81 h HIS 219 CO 0.03 0.80 0.02 0.00 0.86 0.00 0.00 177.93 179.64 1p81 h ALA 220 N 1.36 1.33 0.05 2.45 0.00 -0.72 -3.19 119.26 120.53 1p81 h ALA 220 Ca 0.35 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 1p81 h ALA 220 Cb -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1p81 h ALA 220 CO -0.07 0.46 -1.45 -0.24 0.00 0.00 0.00 179.25 177.95 1p81 h VAL 221 N 0.57 1.20 -3.80 0.00 3.04 -0.78 -2.67 116.25 113.81 1p81 h VAL 221 Ca 0.12 -2.93 -0.47 0.00 -1.01 0.00 0.00 66.70 62.42 1p81 h VAL 221 Cb 0.33 2.67 0.17 0.00 -2.01 0.00 0.00 31.29 32.45 1p81 h VAL 221 CO 0.01 0.76 0.16 -0.54 -1.01 0.00 0.00 177.57 176.95 1p81 s LYS 222 N -2.64 0.36 0.32 4.17 -0.14 -0.10 -4.68 119.74 117.03 1p81 s LYS 222 Ca -0.05 0.82 -0.29 0.00 -1.36 0.00 0.00 55.97 55.09 1p81 s LYS 222 Cb 0.08 -1.70 -0.12 0.00 -1.68 0.00 0.00 37.83 34.41 1p81 s LYS 222 CO 0.83 -2.86 1.43 -2.30 -0.76 0.00 0.00 175.35 171.69 1p81 n PRO 223 N -4.31 2.37 -1.92 -1.68 -0.02 -1.26 -4.79 135.00 123.39 1p81 n PRO 223 Ca 0.06 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 1p81 n PRO 223 Cb 0.55 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1p81 n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1p81 s GLU 224 N -1.37 3.36 0.43 -0.52 2.02 -0.09 -4.68 118.70 117.84 1p81 s GLU 224 Ca 0.59 2.12 0.21 0.00 0.02 0.00 0.00 54.97 57.91 1p81 s GLU 224 Cb -0.54 -2.33 0.95 0.00 0.10 0.00 0.00 34.13 32.31 1p81 s GLU 224 CO 0.57 -0.98 1.86 -1.00 0.02 0.00 0.00 175.26 175.74 1p81 h PRO 225 N 1.69 0.00 -0.04 0.39 0.13 -1.90 0.22 132.00 132.49 1p81 h PRO 225 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1p81 h PRO 225 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1p81 h PRO 225 CO 0.58 0.27 -0.08 1.12 -0.23 0.00 0.00 178.00 179.67 1p81 h HIS 226 N 0.00 0.16 -0.00 1.56 2.07 -1.96 -3.39 115.15 113.59 1p81 h HIS 226 Ca -0.00 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1p81 h HIS 226 Cb 0.67 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.62 1p81 h HIS 226 CO 0.00 0.66 -0.09 -2.67 -3.07 0.00 0.00 177.93 172.76 1p81 n TRP 227 N -4.70 0.00 -3.43 6.12 4.27 -1.21 -5.03 117.44 113.46 1p81 n TRP 227 Ca -0.08 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.36 1p81 n TRP 227 Cb 0.33 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.36 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 -0.31 -2.13 -2.81 -1.67 0.00 0.75 -5.00 120.51 109.34 1p81 n ALA 228 Ca 0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1p81 n ALA 228 Cb 0.10 -3.14 -0.13 0.00 0.00 0.00 0.00 19.45 16.28 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 -3.41 0.48 0.15 0.00 1.01 -1.25 -4.68 121.20 113.50 1p81 s ILE 229 Ca 0.11 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1p81 s ILE 229 Cb -0.02 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 1p81 s ILE 229 CO 0.75 -0.12 0.26 -2.16 0.00 0.00 0.00 174.94 173.66 1p81 s PRO 230 N -0.82 3.34 0.01 2.79 0.04 -1.26 -0.91 135.00 138.18 1p81 s PRO 230 Ca -0.04 -0.65 -0.25 0.00 0.04 0.00 0.00 61.00 60.10 1p81 s PRO 230 Cb -0.06 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 1p81 s PRO 230 CO 0.00 0.51 0.78 -1.14 0.04 0.00 0.00 177.00 177.19 1p81 s GLN 231 N -3.22 4.49 -1.69 4.56 2.00 -1.26 -4.09 119.66 120.44 1p81 s GLN 231 Ca 0.34 1.07 -0.00 0.00 -2.00 0.00 0.00 55.36 54.77 1p81 s GLN 231 Cb -0.11 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.30 1p81 s GLN 231 CO 0.28 0.17 0.02 0.41 -0.50 0.00 0.00 175.29 175.67 1p81 n GLY 232 N 2.66 -0.45 2.96 2.59 0.00 -1.26 -5.00 105.19 106.70 1p81 n GLY 232 Ca -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1p81 n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p81 s GLN 233 N -5.01 0.12 0.00 1.61 -0.21 -1.26 -4.52 119.66 110.39 1p81 s GLN 233 Ca 0.01 0.25 0.27 0.00 0.02 0.00 0.00 55.36 55.91 1p81 s GLN 233 Cb -0.00 -0.04 0.90 0.00 1.00 0.00 0.00 33.01 34.87 1p81 s GLN 233 CO 0.01 -0.08 1.66 -1.13 -2.12 0.00 0.00 175.29 173.63 1p81 n SER 234 N 3.52 1.74 -3.63 5.90 3.41 -1.26 -4.71 113.62 118.59 1p81 n SER 234 Ca -0.18 -1.59 -0.41 0.00 -0.26 0.00 0.00 58.87 56.42 1p81 n SER 234 Cb 0.56 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.36 6.09 -3.28 7.33 0.00 -1.26 -4.58 120.51 125.17 1p81 n ALA 235 Ca 0.18 -3.84 -0.10 0.00 0.00 0.00 0.00 53.44 49.68 1p81 n ALA 235 Cb 0.39 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.39 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 2.49 -0.18 0.16 0.00 -3.43 -1.26 -4.72 115.29 108.34 1p81 s HIS 236 Ca 0.52 -0.14 -0.18 0.00 -0.80 0.00 0.00 55.06 54.46 1p81 s HIS 236 Cb 0.15 0.40 0.07 0.00 -1.43 0.00 0.00 32.58 31.77 1p81 s HIS 236 CO -0.07 -0.88 1.67 -0.44 -2.00 0.00 0.00 174.74 173.01 1p81 h ASP 237 N 2.20 -0.41 -0.58 7.38 5.19 -1.89 -2.99 116.42 125.31 1p81 h ASP 237 Ca -0.30 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 1p81 h ASP 237 Cb 1.27 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 41.00 1p81 h ASP 237 CO 0.39 -0.15 0.28 0.71 -3.12 0.00 0.00 179.24 177.35 1p81 h THR 238 N -0.04 1.21 0.54 0.35 1.35 -1.95 0.17 112.91 114.54 1p81 h THR 238 Ca 0.17 -0.60 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 1p81 h THR 238 Cb 0.31 0.44 0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1p81 h THR 238 CO -0.39 0.25 -0.26 0.15 -0.25 0.00 0.00 175.52 175.02 1p81 h PHE 239 N 0.87 -0.68 0.00 4.73 3.57 -1.32 -1.75 116.94 122.37 1p81 h PHE 239 Ca 0.21 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1p81 h PHE 239 Cb 0.12 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1p81 h PHE 239 CO 0.01 -0.39 -0.25 -1.49 -2.23 0.00 0.00 178.31 173.95 1p81 h TRP 240 N -0.79 0.00 0.54 0.41 4.06 -1.49 -0.63 115.95 118.05 1p81 h TRP 240 Ca -0.07 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 1p81 h TRP 240 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1p81 h TRP 240 CO -0.03 0.25 -0.27 0.22 -3.56 0.00 0.00 178.44 175.06 1p81 h ASP 241 N 0.00 -0.63 -0.21 -3.49 3.58 -0.54 0.94 116.42 116.07 1p81 h ASP 241 Ca -0.00 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.52 1p81 h ASP 241 Cb 0.46 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1p81 h ASP 241 CO 0.03 -0.45 -0.11 0.22 -2.88 0.00 0.00 179.24 176.05 1p81 h TYR 242 N -0.74 -0.27 -0.44 0.28 5.03 -0.88 -1.94 116.97 118.01 1p81 h TYR 242 Ca -0.07 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.32 1p81 h TYR 242 Cb 0.57 0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.95 1p81 h TYR 242 CO -0.04 -0.17 0.14 0.28 -1.32 0.00 0.00 178.16 177.04 1p81 h VAL 243 N -0.10 0.83 0.00 1.81 2.07 -0.98 -0.52 116.25 119.36 1p81 h VAL 243 Ca 0.12 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1p81 h VAL 243 Cb 0.27 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1p81 h VAL 243 CO -0.27 0.05 -0.07 0.77 0.02 0.00 0.00 177.57 178.08 1p81 h SER 244 N 0.29 0.00 0.22 0.57 4.64 -0.39 -1.98 113.55 116.91 1p81 h SER 244 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1p81 h SER 244 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1p81 h SER 244 CO -0.23 0.07 -0.60 0.18 -0.87 0.00 0.00 176.83 175.37 1p81 n LEU 245 N -4.07 0.97 -3.48 5.97 4.77 -0.77 -4.69 117.00 115.71 1p81 n LEU 245 Ca -0.03 -0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 55.37 1p81 n LEU 245 Cb 0.15 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1p81 n LEU 245 CO 0.31 0.21 -0.26 0.00 -1.33 0.00 0.00 177.39 176.32 1p81 n GLN 246 N -1.12 0.52 0.06 3.23 1.13 -0.27 -5.00 117.38 115.93 1p81 n GLN 246 Ca 0.07 -3.43 0.21 0.00 -1.94 0.00 0.00 57.00 51.91 1p81 n GLN 246 Cb 0.36 -1.78 0.73 0.00 0.11 0.00 0.00 30.24 29.65 1p81 n GLN 246 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1p81 h PRO 247 N 5.55 0.00 -0.31 -1.09 0.13 -1.84 -1.45 132.00 132.99 1p81 h PRO 247 Ca 0.24 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.46 1p81 h PRO 247 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1p81 h PRO 247 CO 0.44 0.00 0.31 1.05 -0.23 0.00 0.00 178.00 179.57 1p81 h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -0.71 114.58 116.97 1p81 h GLU 248 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1p81 h GLU 248 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 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 -0.57 -1.06 1.35 -1.11 -3.35 112.91 108.17 1p81 h THR 249 Ca 0.15 -0.44 0.04 0.00 -0.55 0.00 0.00 66.41 65.60 1p81 h THR 249 Cb 0.76 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 1p81 h THR 249 CO -0.00 0.00 0.38 -0.07 -0.25 0.00 0.00 175.52 175.58 1p81 h LEU 250 N 0.00 0.54 0.40 3.87 3.38 -1.32 -1.49 115.31 120.68 1p81 h LEU 250 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1p81 h LEU 250 Cb 0.57 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1p81 h LEU 250 CO 0.00 0.37 -0.19 -0.74 0.09 0.00 0.00 178.44 177.97 1p81 h HIS 251 N 0.63 -0.49 -0.07 1.13 2.76 -1.80 -1.16 115.15 116.14 1p81 h HIS 251 Ca 0.23 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1p81 h HIS 251 Cb 0.14 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1p81 h HIS 251 CO -0.00 -0.24 -0.35 -0.97 -1.30 0.00 0.00 177.93 175.07 1p81 h ASN 252 N -0.64 0.14 -0.64 3.26 -0.00 -1.74 -1.56 115.58 114.40 1p81 h ASN 252 Ca -0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.18 1p81 h ASN 252 Cb 0.47 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.72 1p81 h ASN 252 CO 0.09 0.49 0.35 0.58 -0.00 0.00 0.00 177.43 178.94 1p81 h VAL 253 N 0.12 1.20 -0.60 2.57 2.07 -1.13 -0.43 116.25 120.06 1p81 h VAL 253 Ca 0.01 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1p81 h VAL 253 Cb 0.68 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1p81 h VAL 253 CO 0.05 0.23 0.38 0.24 0.02 0.00 0.00 177.57 178.49 1p81 h MET 254 N 0.93 0.73 -0.53 1.57 2.86 -0.18 -0.35 114.93 119.96 1p81 h MET 254 Ca 0.23 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1p81 h MET 254 Cb 0.05 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1p81 h MET 254 CO -0.04 0.48 0.21 -1.49 1.06 0.00 0.00 176.91 177.14 1p81 h TRP 255 N 0.75 0.80 -0.50 -0.22 4.06 -1.17 -2.41 115.95 117.27 1p81 h TRP 255 Ca 0.23 -0.06 -0.04 0.00 2.06 0.00 0.00 58.89 61.08 1p81 h TRP 255 Cb -0.03 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 27.87 1p81 h TRP 255 CO -0.05 0.66 0.14 0.00 -3.56 0.00 0.00 178.44 175.63 1p81 h ALA 256 N 1.06 1.30 0.00 1.49 0.00 -0.45 -2.58 119.26 120.08 1p81 h ALA 256 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p81 h ALA 256 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p81 h ALA 256 CO -0.01 0.50 0.00 0.52 0.00 0.00 0.00 179.25 180.25 1p81 h MET 257 N 0.73 0.00 -7.75 0.00 2.86 -0.95 -3.34 114.93 106.48 1p81 h MET 257 Ca 0.17 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.36 1p81 h MET 257 Cb 0.25 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.07 1p81 h MET 257 CO -0.01 0.00 0.39 -1.54 1.06 0.00 0.00 176.91 176.81 1p81 s SER 258 N -5.09 3.18 0.03 1.22 1.04 -0.92 -4.00 113.70 109.16 1p81 s SER 258 Ca 0.07 0.16 0.16 0.00 0.48 0.00 0.00 55.95 56.82 1p81 s SER 258 Cb 0.09 -0.21 0.69 0.00 0.10 0.00 0.00 66.02 66.70 1p81 s SER 258 CO 0.57 -2.68 1.52 0.47 0.98 0.00 0.00 173.24 174.10 1p81 n ASP 259 N -3.68 0.09 -0.06 7.02 10.43 -1.26 -1.90 116.55 127.17 1p81 n ASP 259 Ca 0.16 0.52 0.15 0.00 2.57 0.00 0.00 54.79 58.19 1p81 n ASP 259 Cb 0.59 -0.54 0.57 0.00 1.84 0.00 0.00 41.12 43.59 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 0.25 0.00 -1.24 2.47 -1.89 -1.56 114.38 112.41 1p81 h ARG 260 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1p81 h ARG 260 Cb 0.28 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1p81 h ARG 260 CO 0.00 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.11 1p81 n GLY 261 N -1.56 -1.04 2.27 0.04 0.00 -0.80 -4.05 105.19 100.05 1p81 n GLY 261 Ca 0.10 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.30 0.17 -1.70 -0.61 -5.35 -0.59 -1.63 119.36 108.34 1p81 n ILE 262 Ca 0.10 -4.42 -0.38 0.00 -0.27 0.00 0.00 62.75 57.79 1p81 n ILE 262 Cb 0.18 -1.69 0.06 0.00 -1.74 0.00 0.00 39.64 36.45 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 1.04 1.25 -0.01 6.28 -0.04 -1.26 -0.84 135.00 141.42 1p81 n PRO 263 Ca 0.24 0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 64.10 1p81 n PRO 263 Cb 0.52 -2.45 0.09 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.83 0.57 -2.55 0.54 9.65 -1.38 -3.40 114.38 118.64 1p81 h ARG 264 Ca -0.50 -0.30 -0.03 0.00 -1.10 0.00 0.00 59.98 58.05 1p81 h ARG 264 Cb 1.33 0.01 -0.15 0.00 -1.39 0.00 0.00 29.97 29.78 1p81 h ARG 264 CO 0.54 0.90 0.22 0.45 2.80 0.00 0.00 179.97 184.88 1p81 s SER 265 N -6.87 -0.59 0.48 -3.80 0.15 -1.26 -4.94 113.70 96.88 1p81 s SER 265 Ca -0.07 0.28 0.24 0.00 0.70 0.00 0.00 55.95 57.10 1p81 s SER 265 Cb 0.12 0.56 1.23 0.00 -1.71 0.00 0.00 66.02 66.22 1p81 s SER 265 CO 0.83 -0.80 1.98 1.88 1.20 0.00 0.00 173.24 178.33 1p81 h TYR 266 N 2.39 0.00 0.00 3.44 0.05 -1.90 -1.30 116.97 119.66 1p81 h TYR 266 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1p81 h TYR 266 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1p81 h TYR 266 CO 0.29 0.18 0.00 0.00 -1.05 0.00 0.00 178.16 177.58 1p81 h ARG 267 N 0.00 0.00 -0.98 4.88 3.08 -1.96 -3.30 114.38 116.10 1p81 h ARG 267 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.48 1p81 h ARG 267 Cb 0.47 0.00 -0.43 0.00 0.08 0.00 0.00 29.97 30.09 1p81 h ARG 267 CO 0.02 0.00 -0.77 0.25 -1.07 0.00 0.00 179.97 178.40 1p81 n THR 268 N -3.05 2.50 -4.22 2.04 -2.24 -0.49 -4.40 114.28 104.42 1p81 n THR 268 Ca -0.00 -4.41 -0.14 0.00 -2.27 0.00 0.00 64.05 57.22 1p81 n THR 268 Cb 0.25 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.20 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 -3.59 0.96 0.49 -0.78 0.23 -1.24 -1.42 119.30 113.95 1p81 s MET 269 Ca 0.50 -1.32 -0.03 0.00 -1.03 0.00 0.00 55.69 53.81 1p81 s MET 269 Cb 0.41 -0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 33.11 1p81 s MET 269 CO -0.03 0.08 0.76 -1.21 -2.03 0.00 0.00 175.02 172.59 1p81 s GLU 270 N -3.32 3.22 0.03 3.16 2.02 -1.26 -4.21 118.70 118.34 1p81 s GLU 270 Ca 0.12 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.02 1p81 s GLU 270 Cb 0.00 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 1p81 s GLU 270 CO 0.00 -0.33 -0.10 0.20 0.02 0.00 0.00 175.26 175.05 1p81 s GLY 271 N -4.19 0.59 -0.04 -1.39 0.00 -0.93 -4.14 107.32 97.23 1p81 s GLY 271 Ca 0.49 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 1p81 s GLY 271 CO 0.42 -0.69 0.18 -1.36 0.00 0.00 0.00 173.10 171.65 1p81 s PHE 272 N -0.90 -0.13 -0.99 1.90 0.08 0.31 -1.05 117.98 117.20 1p81 s PHE 272 Ca -0.02 0.29 0.29 0.00 0.12 0.00 0.00 56.93 57.60 1p81 s PHE 272 Cb -0.07 0.03 1.16 0.00 -0.57 0.00 0.00 43.02 43.57 1p81 s PHE 272 CO 0.01 -0.19 1.88 0.41 -0.10 0.00 0.00 175.22 177.23 1p81 n GLY 273 N 2.34 -1.49 5.00 4.36 0.00 -0.67 -1.69 105.19 113.05 1p81 n GLY 273 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1p81 n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p81 n ILE 274 N -1.53 0.00 -1.97 -0.61 5.41 -1.26 -4.85 119.36 114.56 1p81 n ILE 274 Ca 0.07 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.50 1p81 n ILE 274 Cb 0.34 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.29 1p81 n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1p81 s HIS 275 N 0.00 3.11 -0.20 1.39 3.76 -1.26 -4.90 115.29 117.18 1p81 s HIS 275 Ca 0.00 1.47 -0.29 0.00 -0.15 0.00 0.00 55.06 56.09 1p81 s HIS 275 Cb 0.00 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.76 1p81 s HIS 275 CO 0.00 -1.02 1.07 0.99 -0.85 0.00 0.00 174.74 174.92 1p81 s THR 276 N -2.66 4.64 0.16 1.30 2.01 -1.26 -4.56 115.64 115.27 1p81 s THR 276 Ca 0.61 1.96 0.02 0.00 0.31 0.00 0.00 61.69 64.59 1p81 s THR 276 Cb -0.14 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.12 1p81 s THR 276 CO 0.41 -0.15 0.15 0.49 -0.69 0.00 0.00 174.62 174.83 1p81 n PHE 277 N 6.17 -1.68 -4.30 4.92 3.72 0.04 -4.14 117.46 122.18 1p81 n PHE 277 Ca 0.12 -0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 56.64 1p81 n PHE 277 Cb 0.46 -0.14 -0.12 0.00 -0.94 0.00 0.00 39.48 38.74 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 -2.67 1.18 -0.07 -1.08 0.52 0.21 -1.22 118.95 115.81 1p81 s ARG 278 Ca 0.11 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1p81 s ARG 278 Cb -0.01 -1.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.03 1p81 s ARG 278 CO 0.07 0.31 -0.05 -0.51 0.02 0.00 0.00 175.30 175.14 1p81 s LEU 279 N -2.11 3.26 -0.15 2.53 1.43 -0.11 -1.48 118.68 122.05 1p81 s LEU 279 Ca 0.09 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1p81 s LEU 279 Cb -0.09 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1p81 s LEU 279 CO 0.05 0.36 -0.12 -0.63 0.23 0.00 0.00 176.35 176.24 1p81 s ILE 280 N -0.79 1.45 0.72 -0.59 -1.09 -0.57 -0.97 121.20 119.36 1p81 s ILE 280 Ca 0.12 -0.60 -0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1p81 s ILE 280 Cb -0.11 -1.41 0.11 0.00 -1.58 0.00 0.00 42.46 39.47 1p81 s ILE 280 CO 0.02 0.40 0.99 0.54 -1.23 0.00 0.00 174.94 175.66 1p81 s ASN 281 N 1.53 4.42 0.53 3.58 2.20 -0.93 -0.77 114.94 125.51 1p81 s ASN 281 Ca 0.04 -0.16 0.23 0.00 -0.94 0.00 0.00 52.86 52.04 1p81 s ASN 281 Cb -0.13 -0.30 1.47 0.00 -2.00 0.00 0.00 41.25 40.28 1p81 s ASN 281 CO -0.10 -1.81 2.14 0.00 -2.94 0.00 0.00 177.10 174.40 1p81 h ALA 282 N -0.55 1.62 -0.00 3.54 0.00 -1.88 -0.60 119.26 121.38 1p81 h ALA 282 Ca -0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1p81 h ALA 282 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1p81 h ALA 282 CO 0.44 0.08 -0.03 0.39 0.00 0.00 0.00 179.25 180.13 1p81 n GLU 283 N -4.06 0.74 -0.52 0.00 4.71 -1.26 -4.75 120.64 115.50 1p81 n GLU 283 Ca -0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.01 1p81 n GLU 283 Cb 0.15 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1p81 n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1p81 n GLY 284 N 1.19 0.75 3.73 0.62 0.00 -0.23 -5.04 105.19 106.20 1p81 n GLY 284 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.48 4.65 -0.04 1.61 2.20 -1.26 -4.83 119.74 121.58 1p81 s LYS 285 Ca 0.00 1.49 -0.08 0.00 -0.36 0.00 0.00 55.97 57.02 1p81 s LYS 285 Cb 0.00 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1p81 s LYS 285 CO 0.00 0.12 0.24 0.00 -0.36 0.00 0.00 175.35 175.35 1p81 s ALA 286 N 0.23 3.84 -0.06 3.13 0.00 -1.26 -2.18 121.76 125.45 1p81 s ALA 286 Ca 0.49 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1p81 s ALA 286 Cb -0.24 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1p81 s ALA 286 CO 0.30 0.61 -0.18 0.99 0.00 0.00 0.00 175.76 177.48 1p81 s THR 287 N -1.16 1.53 0.42 0.00 2.01 -0.14 -4.33 115.64 113.97 1p81 s THR 287 Ca 0.22 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 1p81 s THR 287 Cb -0.13 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.96 1p81 s THR 287 CO 0.11 0.44 1.14 -0.36 -0.69 0.00 0.00 174.62 175.26 1p81 s PHE 288 N 0.25 3.07 -0.04 4.92 0.08 -0.22 -0.93 117.98 125.10 1p81 s PHE 288 Ca -0.10 1.57 -0.04 0.00 0.12 0.00 0.00 56.93 58.49 1p81 s PHE 288 Cb -0.14 -3.32 0.01 0.00 -0.57 0.00 0.00 43.02 39.00 1p81 s PHE 288 CO 0.04 -1.18 0.12 0.54 -0.10 0.00 0.00 175.22 174.63 1p81 s VAL 289 N -1.51 -0.00 -0.11 -0.44 0.11 -0.35 -1.63 120.40 116.46 1p81 s VAL 289 Ca 0.59 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.68 1p81 s VAL 289 Cb -0.28 -0.17 -0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1p81 s VAL 289 CO 0.35 0.00 -0.21 -0.13 -3.33 0.00 0.00 175.10 171.78 1p81 s ARG 290 N 0.13 3.13 0.03 1.54 0.52 -0.51 -0.78 118.95 123.01 1p81 s ARG 290 Ca -0.01 -0.82 -0.22 0.00 -0.52 0.00 0.00 55.73 54.17 1p81 s ARG 290 Cb -0.01 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 33.00 1p81 s ARG 290 CO -0.00 0.20 0.65 -0.06 0.02 0.00 0.00 175.30 176.11 1p81 s PHE 291 N 0.32 3.73 0.05 -0.53 0.08 -1.26 -1.19 117.98 119.18 1p81 s PHE 291 Ca -0.16 1.31 0.05 0.00 0.12 0.00 0.00 56.93 58.26 1p81 s PHE 291 Cb -0.17 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1p81 s PHE 291 CO 0.08 0.38 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.42 1p81 s HIS 292 N -0.37 1.28 -0.12 0.36 3.76 0.61 -1.67 115.29 119.14 1p81 s HIS 292 Ca 0.33 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 1p81 s HIS 292 Cb -0.19 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.75 1p81 s HIS 292 CO 0.20 0.05 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.35 1p81 s TRP 293 N -0.99 2.64 -0.20 1.40 0.52 -0.22 0.03 118.94 122.13 1p81 s TRP 293 Ca 0.01 -1.08 -0.05 0.00 0.02 0.00 0.00 56.10 55.00 1p81 s TRP 293 Cb -0.09 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1p81 s TRP 293 CO 0.02 -0.46 -0.01 0.21 0.02 0.00 0.00 176.95 176.73 1p81 s LYS 294 N 0.52 3.60 -0.11 4.98 2.20 -0.30 -2.18 119.74 128.45 1p81 s LYS 294 Ca -0.13 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 1p81 s LYS 294 Cb -0.17 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1p81 s LYS 294 CO 0.05 0.03 1.41 -1.25 -0.36 0.00 0.00 175.35 175.22 1p81 s PRO 295 N 0.95 4.22 0.31 4.03 0.04 -1.26 -0.32 135.00 142.98 1p81 s PRO 295 Ca 0.01 1.87 0.26 0.00 0.04 0.00 0.00 61.00 63.18 1p81 s PRO 295 Cb -0.14 -3.83 0.89 0.00 0.04 0.00 0.00 34.50 31.46 1p81 s PRO 295 CO 0.02 -0.74 1.76 -0.07 0.04 0.00 0.00 177.00 178.00 1p81 h LEU 296 N 9.80 0.00 -0.01 -3.56 3.38 -1.53 -1.29 115.31 122.11 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 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1p81 h LEU 296 CO 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 179.48 1p81 n ALA 297 N -1.87 2.53 0.00 1.53 0.00 -1.26 -4.94 120.51 116.50 1p81 n ALA 297 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1p81 n ALA 297 Cb 0.35 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.24 -0.13 3.78 0.00 0.00 -0.49 -3.79 105.19 105.81 1p81 n GLY 298 Ca 0.16 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 1p81 n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p81 s LYS 299 N -1.91 4.14 -0.28 1.61 1.02 -1.26 -4.26 119.74 118.80 1p81 s LYS 299 Ca 0.00 0.43 -0.21 0.00 0.02 0.00 0.00 55.97 56.21 1p81 s LYS 299 Cb 0.00 -3.32 0.08 0.00 -0.52 0.00 0.00 37.83 34.07 1p81 s LYS 299 CO 0.00 0.44 0.76 0.00 -0.92 0.00 0.00 175.35 175.63 1p81 s ALA 300 N -0.28 -1.86 0.17 5.17 0.00 -0.51 -4.84 121.76 119.61 1p81 s ALA 300 Ca 0.25 2.16 0.03 0.00 0.00 0.00 0.00 51.96 54.40 1p81 s ALA 300 Cb -0.16 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1p81 s ALA 300 CO 0.12 -0.34 -0.05 -1.12 0.00 0.00 0.00 175.76 174.37 1p81 s SER 301 N 0.84 1.58 1.01 0.00 0.01 -1.26 -1.10 113.70 114.79 1p81 s SER 301 Ca -0.04 -1.10 -0.11 0.00 1.31 0.00 0.00 55.95 56.02 1p81 s SER 301 Cb -0.05 0.04 0.15 0.00 0.21 0.00 0.00 66.02 66.36 1p81 s SER 301 CO -0.08 -0.45 0.83 0.18 0.41 0.00 0.00 173.24 174.14 1p81 n LEU 302 N -0.24 0.00 -4.60 2.44 4.77 -0.02 -4.65 117.00 114.70 1p81 n LEU 302 Ca -0.08 -0.91 -0.29 0.00 -0.03 0.00 0.00 56.01 54.70 1p81 n LEU 302 Cb 0.62 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1p81 n LEU 302 CO 0.33 -1.15 -0.40 0.68 -1.33 0.00 0.00 177.39 175.53 1p81 s VAL 303 N -2.79 3.49 0.17 4.08 -7.23 -1.26 -4.91 120.40 111.94 1p81 s VAL 303 Ca 0.47 -1.28 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 1p81 s VAL 303 Cb -0.01 -2.66 0.08 0.00 0.56 0.00 0.00 36.38 34.35 1p81 s VAL 303 CO 0.33 0.06 1.63 -0.25 -0.31 0.00 0.00 175.10 176.57 1p81 h TRP 304 N 3.41 -0.56 -0.66 2.82 2.91 -1.98 -0.69 115.95 121.20 1p81 h TRP 304 Ca -0.48 0.05 0.03 0.00 1.13 0.00 0.00 58.89 59.61 1p81 h TRP 304 Cb 1.17 0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 30.09 1p81 h TRP 304 CO 0.61 -0.29 0.44 0.22 -1.03 0.00 0.00 178.44 178.38 1p81 h ASP 305 N -0.16 0.71 -0.16 2.65 -0.00 -1.99 0.00 116.42 117.47 1p81 h ASP 305 Ca 0.18 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 57.17 1p81 h ASP 305 Cb 0.44 -0.17 -0.00 0.00 -0.00 0.00 0.00 39.33 39.60 1p81 h ASP 305 CO -0.47 0.50 -0.04 -0.08 -0.00 0.00 0.00 179.24 179.15 1p81 h GLU 306 N 0.83 0.31 -0.29 0.28 4.81 -1.82 -2.08 114.58 116.62 1p81 h GLU 306 Ca 0.26 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1p81 h GLU 306 Cb 0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1p81 h GLU 306 CO -0.07 0.58 0.19 0.00 -0.73 0.00 0.00 179.01 178.99 1p81 h ALA 307 N 0.71 0.36 -0.38 2.92 0.00 -0.37 -0.73 119.26 121.78 1p81 h ALA 307 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1p81 h ALA 307 Cb 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1p81 h ALA 307 CO 0.02 -0.17 0.11 0.37 0.00 0.00 0.00 179.25 179.57 1p81 h GLN 308 N 0.39 0.59 -0.83 0.00 4.15 -1.04 -2.08 115.11 116.29 1p81 h GLN 308 Ca 0.11 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1p81 h GLN 308 Cb -0.04 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 1p81 h GLN 308 CO -0.03 0.61 0.38 0.87 -1.93 0.00 0.00 178.83 178.74 1p81 h LYS 309 N 0.46 1.21 0.00 1.69 1.57 -1.14 -2.56 116.57 117.79 1p81 h LYS 309 Ca 0.12 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1p81 h LYS 309 Cb 0.28 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1p81 h LYS 309 CO -0.00 0.94 -0.27 1.25 -0.57 0.00 0.00 179.45 180.80 1p81 h LEU 310 N 1.19 0.00 -2.02 2.94 5.85 -0.90 0.09 115.31 122.47 1p81 h LEU 310 Ca 0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1p81 h LEU 310 Cb 0.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1p81 h LEU 310 CO -0.03 0.27 -0.05 0.71 -0.34 0.00 0.00 178.44 179.00 1p81 h THR 311 N 0.00 0.89 0.09 1.05 1.35 -0.94 0.40 112.91 115.75 1p81 h THR 311 Ca -0.00 -0.18 -0.31 0.00 -0.55 0.00 0.00 66.41 65.36 1p81 h THR 311 Cb 0.49 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1p81 h THR 311 CO 0.04 0.05 -1.69 1.23 -0.25 0.00 0.00 175.52 174.90 1p81 h GLY 312 N 0.18 0.23 1.42 5.82 0.00 -1.27 -3.28 103.07 106.17 1p81 h GLY 312 Ca -0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 47.33 46.56 1p81 h GLY 312 CO 0.01 0.51 -0.64 3.21 0.00 0.00 0.00 176.54 179.63 1p81 h ARG 313 N -0.27 0.59 -1.66 4.80 2.47 -0.67 -3.40 114.38 116.24 1p81 h ARG 313 Ca -0.38 -0.42 -0.29 0.00 -1.26 0.00 0.00 59.98 57.63 1p81 h ARG 313 Cb 1.80 0.07 -0.27 0.00 -1.65 0.00 0.00 29.97 29.92 1p81 h ARG 313 CO 0.01 1.04 -0.63 0.34 0.56 0.00 0.00 179.97 181.29 1p81 s ASP 314 N -6.97 0.28 0.33 7.04 2.15 0.14 -5.00 116.67 114.64 1p81 s ASP 314 Ca -0.08 -1.50 0.24 0.00 0.43 0.00 0.00 52.55 51.65 1p81 s ASP 314 Cb 0.10 0.96 1.19 0.00 -0.30 0.00 0.00 42.92 44.88 1p81 s ASP 314 CO 0.86 -0.21 1.74 1.55 -0.17 0.00 0.00 175.17 178.93 1p81 h PRO 315 N 6.77 0.00 -0.58 4.34 0.13 -1.61 -1.70 132.00 139.36 1p81 h PRO 315 Ca 0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.13 1p81 h PRO 315 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1p81 h PRO 315 CO 0.17 0.00 0.08 -0.25 -0.23 0.00 0.00 178.00 177.76 1p81 n ASP 316 N -2.34 5.18 -0.30 1.44 8.00 -1.26 0.34 116.55 127.62 1p81 n ASP 316 Ca -0.00 -3.05 -0.05 0.00 0.71 0.00 0.00 54.79 52.40 1p81 n ASP 316 Cb 0.11 -0.68 0.07 0.00 -0.02 0.00 0.00 41.12 40.60 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 3.26 1.10 -0.13 1.24 3.04 -1.65 -1.04 116.94 122.76 1p81 h PHE 317 Ca 0.08 -0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.82 1p81 h PHE 317 Cb 2.01 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 40.17 1p81 h PHE 317 CO 1.07 0.76 -0.69 0.45 -2.02 0.00 0.00 178.31 177.88 1p81 h HIS 318 N 1.12 0.71 -0.44 0.41 3.86 -1.87 -0.35 115.15 118.59 1p81 h HIS 318 Ca 0.28 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1p81 h HIS 318 Cb 0.02 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1p81 h HIS 318 CO 0.00 1.06 0.10 -0.09 0.86 0.00 0.00 177.93 179.87 1p81 h ARG 319 N 0.38 0.70 -0.36 2.45 2.43 -1.86 -1.35 114.38 116.78 1p81 h ARG 319 Ca -0.02 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1p81 h ARG 319 Cb 1.27 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1p81 h ARG 319 CO 0.13 0.71 0.15 -0.09 -1.51 0.00 0.00 179.97 179.36 1p81 h ARG 320 N 0.57 0.53 -0.54 0.20 2.43 -1.19 -1.19 114.38 115.19 1p81 h ARG 320 Ca 0.14 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1p81 h ARG 320 Cb 0.33 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1p81 h ARG 320 CO 0.00 0.51 0.22 1.49 -1.51 0.00 0.00 179.97 180.68 1p81 h GLU 321 N 0.44 0.82 -0.40 0.20 4.22 -0.89 0.57 114.58 119.53 1p81 h GLU 321 Ca 0.12 -0.15 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 1p81 h GLU 321 Cb 0.17 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1p81 h GLU 321 CO -0.01 0.71 0.10 1.25 -2.18 0.00 0.00 179.01 178.89 1p81 h LEU 322 N 0.74 0.61 -0.52 1.64 5.85 -1.11 -0.81 115.31 121.71 1p81 h LEU 322 Ca 0.18 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1p81 h LEU 322 Cb 0.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1p81 h LEU 322 CO -0.01 0.68 0.15 -0.25 -0.34 0.00 0.00 178.44 178.66 1p81 h TRP 323 N 0.51 0.85 -0.07 1.25 2.91 -0.90 -2.65 115.95 117.85 1p81 h TRP 323 Ca 0.13 -0.09 -0.17 0.00 1.13 0.00 0.00 58.89 59.89 1p81 h TRP 323 Cb 0.30 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 1p81 h TRP 323 CO 0.02 0.74 -0.69 0.93 -1.03 0.00 0.00 178.44 178.41 1p81 h GLU 324 N 0.71 0.31 -0.16 2.65 5.08 -0.86 -2.01 114.58 120.30 1p81 h GLU 324 Ca 0.16 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1p81 h GLU 324 Cb 0.30 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1p81 h GLU 324 CO -0.00 0.88 0.10 0.00 -1.00 0.00 0.00 179.01 178.99 1p81 h ALA 325 N 1.05 0.20 -0.78 3.43 0.00 -1.05 0.26 119.26 122.37 1p81 h ALA 325 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1p81 h ALA 325 Cb 1.24 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1p81 h ALA 325 CO 0.11 -0.31 0.41 0.82 0.00 0.00 0.00 179.25 180.28 1p81 h ILE 326 N 0.21 1.24 -0.17 0.00 2.04 -1.39 0.67 117.51 120.11 1p81 h ILE 326 Ca 0.06 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1p81 h ILE 326 Cb -0.02 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1p81 h ILE 326 CO -0.01 0.27 -0.18 -0.33 0.00 0.00 0.00 178.15 177.90 1p81 h GLU 327 N 1.09 0.29 0.00 2.37 5.08 -1.03 -1.68 114.58 120.69 1p81 h GLU 327 Ca 0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1p81 h GLU 327 Cb 0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1p81 h GLU 327 CO -0.04 0.47 -0.12 0.00 -1.00 0.00 0.00 179.01 178.31 1p81 n ALA 328 N -2.48 2.49 -0.32 3.43 0.00 0.05 -2.23 120.51 121.44 1p81 n ALA 328 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1p81 n ALA 328 Cb 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.39 0.76 2.47 0.00 0.00 -0.50 -4.58 105.19 104.73 1p81 n GLY 329 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1p81 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 330 N 0.00 7.70 -4.69 1.61 10.43 0.11 -4.98 116.55 126.73 1p81 n ASP 330 Ca 0.00 -3.14 -0.45 0.00 2.57 0.00 0.00 54.79 53.77 1p81 n ASP 330 Cb 0.00 -1.34 -0.04 0.00 1.84 0.00 0.00 41.12 41.59 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 1.56 2.45 -1.68 1.24 0.99 -1.26 -4.33 117.46 116.43 1p81 n PHE 331 Ca 0.60 0.17 -0.46 0.00 -0.00 0.00 0.00 57.45 57.75 1p81 n PHE 331 Cb 0.32 -2.60 -0.04 0.00 -1.00 0.00 0.00 39.48 36.16 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 3.77 2.33 -5.07 -1.08 -0.02 -1.24 -4.79 135.00 128.90 1p81 n PRO 332 Ca 0.17 0.85 -0.29 0.00 -2.02 0.00 0.00 63.50 62.21 1p81 n PRO 332 Cb 0.31 -2.70 -0.16 0.00 -0.02 0.00 0.00 33.50 30.93 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 3.16 2.10 0.01 -0.52 2.02 -1.26 -1.52 118.70 122.69 1p81 s GLU 333 Ca 0.87 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 55.12 1p81 s GLU 333 Cb -0.63 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 1p81 s GLU 333 CO 0.45 0.35 -0.08 0.71 0.02 0.00 0.00 175.26 176.71 1p81 s TYR 334 N -0.16 0.69 -0.27 1.61 2.02 -0.45 -1.46 117.35 119.32 1p81 s TYR 334 Ca -0.01 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.36 1p81 s TYR 334 Cb -0.12 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1p81 s TYR 334 CO 0.02 -0.02 0.13 -2.00 -1.57 0.00 0.00 175.55 172.11 1p81 s GLU 335 N -0.63 3.70 0.30 -0.62 2.12 0.57 -0.54 118.70 123.60 1p81 s GLU 335 Ca -0.01 -0.47 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 1p81 s GLU 335 Cb -0.05 -3.51 -0.10 0.00 0.26 0.00 0.00 34.13 30.74 1p81 s GLU 335 CO 0.00 -0.23 1.22 -1.17 -0.54 0.00 0.00 175.26 174.54 1p81 s LEU 336 N 1.67 4.48 0.01 2.70 2.96 0.49 -1.15 118.68 129.83 1p81 s LEU 336 Ca 0.06 2.49 -0.08 0.00 -0.22 0.00 0.00 54.13 56.38 1p81 s LEU 336 Cb -0.16 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1p81 s LEU 336 CO 0.07 -0.37 0.16 -0.83 -1.32 0.00 0.00 176.35 174.07 1p81 s GLY 337 N -0.59 0.02 -0.05 7.98 0.00 0.10 -0.71 107.32 114.08 1p81 s GLY 337 Ca 0.48 -0.11 0.06 0.00 0.00 0.00 0.00 44.72 45.15 1p81 s GLY 337 CO 0.47 -0.26 -0.24 -1.36 0.00 0.00 0.00 173.10 171.71 1p81 s PHE 338 N -1.52 2.30 -0.25 1.90 2.99 -0.24 -0.29 117.98 122.87 1p81 s PHE 338 Ca -0.14 -0.65 -0.14 0.00 0.00 0.00 0.00 56.93 56.01 1p81 s PHE 338 Cb -0.07 -1.51 -0.04 0.00 0.00 0.00 0.00 43.02 41.41 1p81 s PHE 338 CO 0.01 -0.18 0.31 -0.65 -0.00 0.00 0.00 175.22 174.71 1p81 s GLN 339 N -0.20 4.06 -0.13 0.44 -0.21 -0.33 -0.25 119.66 123.04 1p81 s GLN 339 Ca -0.02 -0.03 0.01 0.00 0.02 0.00 0.00 55.36 55.34 1p81 s GLN 339 Cb -0.13 -3.60 -0.01 0.00 1.00 0.00 0.00 33.01 30.27 1p81 s GLN 339 CO 0.03 -0.14 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.38 1p81 s LEU 340 N 1.64 2.47 -0.09 2.90 1.43 -1.26 -1.42 118.68 124.34 1p81 s LEU 340 Ca 0.13 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1p81 s LEU 340 Cb -0.15 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1p81 s LEU 340 CO 0.08 0.14 -0.10 -0.63 0.23 0.00 0.00 176.35 176.08 1p81 s ILE 341 N 0.46 1.08 0.63 -0.59 1.09 -0.65 -4.98 121.20 118.25 1p81 s ILE 341 Ca -0.12 -0.39 -0.18 0.00 -1.10 0.00 0.00 60.65 58.86 1p81 s ILE 341 Cb -0.16 -1.04 -0.02 0.00 -1.06 0.00 0.00 42.46 40.17 1p81 s ILE 341 CO 0.05 0.36 1.24 -2.65 -0.10 0.00 0.00 174.94 173.85 1p81 n PRO 342 N 4.35 1.13 -0.28 2.79 -0.02 -1.26 -1.06 135.00 140.64 1p81 n PRO 342 Ca -0.18 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 1p81 n PRO 342 Cb 0.51 -2.47 0.24 0.00 -0.02 0.00 0.00 33.50 31.75 1p81 n PRO 342 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1p81 h GLU 343 N 0.60 1.01 0.00 -0.52 4.81 -1.95 -0.82 114.58 117.69 1p81 h GLU 343 Ca -0.51 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1p81 h GLU 343 Cb 1.34 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1p81 h GLU 343 CO 0.53 0.67 0.00 -0.85 -0.73 0.00 0.00 179.01 178.63 1p81 n GLU 344 N -4.47 0.20 -0.50 1.92 0.00 -1.26 -2.07 120.64 114.45 1p81 n GLU 344 Ca 0.12 0.14 0.10 0.00 0.00 0.00 0.00 57.16 57.52 1p81 n GLU 344 Cb 0.15 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.42 1p81 n GLU 344 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1p81 n ASP 345 N -1.33 4.26 -0.20 -1.84 9.92 -0.31 -4.63 116.55 122.40 1p81 n ASP 345 Ca 0.07 -2.26 0.01 0.00 -0.53 0.00 0.00 54.79 52.08 1p81 n ASP 345 Cb 0.15 -0.53 0.10 0.00 -0.64 0.00 0.00 41.12 40.21 1p81 n ASP 345 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1p81 h GLU 346 N 3.99 0.14 -0.90 -1.24 4.81 -1.51 -1.35 114.58 118.52 1p81 h GLU 346 Ca 0.00 -0.01 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 1p81 h GLU 346 Cb 1.22 -0.03 -0.26 0.00 0.63 0.00 0.00 28.75 30.31 1p81 h GLU 346 CO 0.14 0.09 0.53 1.19 -0.73 0.00 0.00 179.01 180.23 1p81 n PHE 347 N -5.25 2.81 0.18 0.92 3.01 -1.26 -4.53 117.46 113.34 1p81 n PHE 347 Ca 0.09 -1.71 0.10 0.00 1.01 0.00 0.00 57.45 56.95 1p81 n PHE 347 Cb 0.35 -0.87 0.27 0.00 -0.01 0.00 0.00 39.48 39.22 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 -0.96 2.40 -4.07 -1.08 5.02 -0.51 -4.93 118.16 114.03 1p81 n LYS 348 Ca 0.54 -2.16 -0.23 0.00 -2.02 0.00 0.00 58.31 54.44 1p81 n LYS 348 Cb 1.58 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 35.04 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 -1.29 2.68 -1.14 2.13 0.40 -1.26 -5.01 117.98 114.50 1p81 s PHE 349 Ca 0.40 -0.43 0.21 0.00 -0.60 0.00 0.00 56.93 56.51 1p81 s PHE 349 Cb 0.22 -1.74 0.93 0.00 0.51 0.00 0.00 43.02 42.93 1p81 s PHE 349 CO 0.29 0.27 1.66 -0.25 0.70 0.00 0.00 175.22 177.89 1p81 n ASP 350 N -1.19 0.00 -4.31 1.36 10.43 -1.26 -4.77 116.55 116.80 1p81 n ASP 350 Ca -0.02 0.33 -0.17 0.00 2.57 0.00 0.00 54.79 57.50 1p81 n ASP 350 Cb 0.62 -0.43 -0.10 0.00 1.84 0.00 0.00 41.12 43.05 1p81 n ASP 350 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1p81 s PHE 351 N -2.86 1.56 -0.02 1.24 -0.12 -1.26 -5.03 117.98 111.49 1p81 s PHE 351 Ca 0.13 -0.65 -0.28 0.00 -0.05 0.00 0.00 56.93 56.08 1p81 s PHE 351 Cb 0.14 -0.76 -0.03 0.00 -0.63 0.00 0.00 43.02 41.74 1p81 s PHE 351 CO 0.35 0.25 0.88 0.34 -0.05 0.00 0.00 175.22 176.99 1p81 s ASP 352 N -3.27 7.23 0.58 1.98 3.68 -1.26 -4.92 116.67 120.69 1p81 s ASP 352 Ca 0.21 1.49 0.31 0.00 2.13 0.00 0.00 52.55 56.69 1p81 s ASP 352 Cb 0.01 -2.51 1.79 0.00 -1.45 0.00 0.00 42.92 40.75 1p81 s ASP 352 CO 0.05 -0.21 2.21 -0.07 0.13 0.00 0.00 175.17 177.29 1p81 h LEU 353 N 6.77 0.00 -0.66 -1.34 3.38 -1.97 -2.25 115.31 119.24 1p81 h LEU 353 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1p81 h LEU 353 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1p81 h LEU 353 CO 0.75 0.04 0.00 0.18 0.09 0.00 0.00 178.44 179.50 1p81 n LEU 354 N -3.67 1.01 -4.56 1.67 4.77 -1.26 -4.38 117.00 110.59 1p81 n LEU 354 Ca -0.03 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.18 1p81 n LEU 354 Cb 0.13 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1p81 n LEU 354 CO 0.27 0.18 0.23 -0.62 -1.33 0.00 0.00 177.39 176.13 1p81 s ASP 355 N -1.87 6.33 0.00 -1.43 3.68 -0.85 -4.31 116.67 118.22 1p81 s ASP 355 Ca 0.38 0.02 0.27 0.00 2.13 0.00 0.00 52.55 55.35 1p81 s ASP 355 Cb 0.20 -2.27 1.59 0.00 -1.45 0.00 0.00 42.92 40.99 1p81 s ASP 355 CO 0.32 -0.47 1.95 -0.81 0.13 0.00 0.00 175.17 176.29 1p81 n PRO 356 N 5.74 0.82 -0.04 4.34 -0.04 -1.26 -2.06 135.00 142.50 1p81 n PRO 356 Ca -0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1p81 n PRO 356 Cb 0.49 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.01 0.10 -4.88 0.52 -2.24 -1.26 -0.33 114.28 105.18 1p81 n THR 357 Ca 0.20 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1p81 n THR 357 Cb 0.10 0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 69.13 1p81 n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p81 s LYS 358 N -1.90 2.77 0.32 -0.78 -0.14 -0.87 -4.85 119.74 114.30 1p81 s LYS 358 Ca 0.33 -0.70 0.07 0.00 -1.36 0.00 0.00 55.97 54.31 1p81 s LYS 358 Cb 0.20 -2.44 -0.01 0.00 -1.68 0.00 0.00 37.83 33.90 1p81 s LYS 358 CO 0.31 0.49 0.43 -0.48 -0.76 0.00 0.00 175.35 175.33 1p81 s LEU 359 N -0.37 3.95 -0.39 3.17 0.05 -1.26 -4.82 118.68 119.01 1p81 s LEU 359 Ca 0.04 -0.21 -0.09 0.00 0.05 0.00 0.00 54.13 53.92 1p81 s LEU 359 Cb -0.12 -2.68 0.05 0.00 -2.05 0.00 0.00 46.19 41.39 1p81 s LEU 359 CO 0.02 -0.38 0.22 -0.63 -0.55 0.00 0.00 176.35 175.03 1p81 s ILE 360 N -2.17 4.29 0.18 1.48 1.01 -1.26 -5.06 121.20 119.67 1p81 s ILE 360 Ca 0.43 -1.16 -0.33 0.00 0.00 0.00 0.00 60.65 59.60 1p81 s ILE 360 Cb -0.09 -3.51 -0.15 0.00 0.01 0.00 0.00 42.46 38.72 1p81 s ILE 360 CO 0.30 -0.36 1.22 -2.65 0.00 0.00 0.00 174.94 173.46 1p81 n PRO 361 N 4.93 1.32 0.29 2.79 -0.02 -1.26 -4.85 135.00 138.20 1p81 n PRO 361 Ca -0.11 0.47 0.17 0.00 -2.02 0.00 0.00 63.50 62.01 1p81 n PRO 361 Cb 0.44 -2.01 0.83 0.00 -0.02 0.00 0.00 33.50 32.74 1p81 n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p81 h GLU 362 N 3.62 0.00 0.00 -0.52 5.08 -1.98 -1.41 114.58 119.37 1p81 h GLU 362 Ca -0.44 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1p81 h GLU 362 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1p81 h GLU 362 CO 0.72 0.06 -0.31 0.93 -1.00 0.00 0.00 179.01 179.41 1p81 h GLU 363 N 0.00 0.00 0.15 2.33 4.39 -1.96 -3.15 114.58 116.34 1p81 h GLU 363 Ca -0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 1p81 h GLU 363 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1p81 h GLU 363 CO 0.01 0.31 -1.91 -0.07 -1.16 0.00 0.00 179.01 176.19 1p81 h LEU 364 N 0.00 0.49 -6.95 1.33 3.38 -1.64 -3.45 115.31 108.47 1p81 h LEU 364 Ca -0.00 -0.95 -0.54 0.00 0.09 0.00 0.00 57.88 56.48 1p81 h LEU 364 Cb 0.61 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 40.80 1p81 h LEU 364 CO 0.04 1.84 -0.77 -0.69 0.09 0.00 0.00 178.44 178.95 1p81 s VAL 365 N -2.57 0.23 0.61 1.22 1.01 -0.87 -5.08 120.40 114.95 1p81 s VAL 365 Ca -0.20 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1p81 s VAL 365 Cb 0.06 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1p81 s VAL 365 CO 0.80 -0.63 1.14 -2.84 0.00 0.00 0.00 175.10 173.57 1p81 s PRO 366 N 1.96 2.96 -0.25 2.72 0.02 -1.19 -4.26 135.00 136.95 1p81 s PRO 366 Ca 0.08 1.58 -0.27 0.00 0.02 0.00 0.00 61.00 62.41 1p81 s PRO 366 Cb -0.16 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1p81 s PRO 366 CO -0.29 -1.16 0.93 0.08 -0.33 0.00 0.00 177.00 176.23 1p81 s VAL 367 N -1.97 4.73 -0.10 3.83 1.01 -1.26 -4.43 120.40 122.21 1p81 s VAL 367 Ca 0.72 1.71 -0.23 0.00 0.00 0.00 0.00 61.98 64.18 1p81 s VAL 367 Cb -0.24 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1p81 s VAL 367 CO 0.35 -0.18 0.69 -1.58 0.00 0.00 0.00 175.10 174.38 1p81 s GLN 368 N 3.08 4.39 0.26 2.72 0.74 0.65 -4.83 119.66 126.67 1p81 s GLN 368 Ca 0.39 0.84 -0.30 0.00 0.05 0.00 0.00 55.36 56.35 1p81 s GLN 368 Cb -0.15 -3.48 -0.09 0.00 1.10 0.00 0.00 33.01 30.39 1p81 s GLN 368 CO 0.08 -0.01 1.25 -0.98 -0.55 0.00 0.00 175.29 175.09 1p81 s ARG 369 N 1.07 4.44 -0.05 1.67 1.70 -1.26 -1.08 118.95 125.43 1p81 s ARG 369 Ca 0.36 2.03 -0.01 0.00 -0.47 0.00 0.00 55.73 57.64 1p81 s ARG 369 Cb -0.17 -3.16 -0.03 0.00 -0.57 0.00 0.00 34.95 31.02 1p81 s ARG 369 CO 0.16 -0.11 -0.06 0.28 -1.08 0.00 0.00 175.30 174.49 1p81 n VAL 370 N 1.74 0.29 -3.96 4.99 0.31 0.11 -4.91 118.33 116.91 1p81 n VAL 370 Ca 0.02 -0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.27 1p81 n VAL 370 Cb 0.43 -1.12 0.01 0.00 -0.91 0.00 0.00 33.84 32.25 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 2.96 0.36 3.30 2.92 0.00 -1.15 -0.87 105.19 112.72 1p81 n GLY 371 Ca -0.10 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 1.93 -0.07 1.61 2.20 -0.49 -0.38 119.74 122.52 1p81 s LYS 372 Ca 0.25 -0.94 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 1p81 s LYS 372 Cb -0.01 -1.93 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1p81 s LYS 372 CO 0.01 0.52 -0.19 1.41 -0.36 0.00 0.00 175.35 176.74 1p81 s MET 373 N -0.76 2.70 -0.07 4.03 -2.45 0.30 -1.52 119.30 121.53 1p81 s MET 373 Ca 0.10 -0.79 0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1p81 s MET 373 Cb -0.10 -2.33 0.01 0.00 1.25 0.00 0.00 34.83 33.66 1p81 s MET 373 CO -0.00 0.43 -0.15 0.08 1.05 0.00 0.00 175.02 176.43 1p81 s VAL 374 N -0.26 1.36 -0.39 10.11 1.01 -0.12 -1.35 120.40 130.77 1p81 s VAL 374 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1p81 s VAL 374 Cb -0.13 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1p81 s VAL 374 CO 0.03 0.40 0.40 -0.76 0.00 0.00 0.00 175.10 175.17 1p81 s LEU 375 N 0.52 4.72 -0.01 3.92 1.02 -0.58 -1.24 118.68 127.02 1p81 s LEU 375 Ca -0.14 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.51 1p81 s LEU 375 Cb -0.16 -2.36 0.03 0.00 0.02 0.00 0.00 46.19 43.73 1p81 s LEU 375 CO 0.05 -0.48 0.80 -0.46 0.02 0.00 0.00 176.35 176.27 1p81 n ASN 376 N 5.50 0.81 -3.71 2.29 6.94 -0.40 -3.67 115.26 123.02 1p81 n ASN 376 Ca -0.08 -1.68 -0.11 0.00 -0.02 0.00 0.00 54.58 52.69 1p81 n ASN 376 Cb 0.48 -0.08 -0.12 0.00 -2.36 0.00 0.00 39.78 37.70 1p81 n ASN 376 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1p81 s ARG 377 N -0.59 0.33 0.57 -3.83 0.52 -0.99 -5.00 118.95 109.96 1p81 s ARG 377 Ca 0.04 0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 55.78 1p81 s ARG 377 Cb 0.03 -0.05 -0.06 0.00 0.52 0.00 0.00 34.95 35.40 1p81 s ARG 377 CO 0.00 -0.15 1.01 -0.80 0.02 0.00 0.00 175.30 175.38 1p81 s ASN 378 N 1.28 6.37 1.09 0.23 0.01 -1.26 -0.35 114.94 122.31 1p81 s ASN 378 Ca -0.09 1.51 -0.14 0.00 -0.71 0.00 0.00 52.86 53.43 1p81 s ASN 378 Cb -0.09 -2.49 0.23 0.00 0.41 0.00 0.00 41.25 39.31 1p81 s ASN 378 CO -0.10 -0.76 1.09 -2.16 -1.51 0.00 0.00 177.10 173.65 1p81 s PRO 379 N -4.61 -0.27 -0.11 -0.60 0.04 -1.26 -3.71 135.00 124.47 1p81 s PRO 379 Ca 0.57 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1p81 s PRO 379 Cb -0.11 -1.67 -0.27 0.00 0.04 0.00 0.00 34.50 32.50 1p81 s PRO 379 CO 0.43 -3.17 0.48 -0.44 0.04 0.00 0.00 177.00 174.33 1p81 h ASP 380 N -2.20 0.41 -3.27 6.66 3.45 -1.96 -1.58 116.42 117.93 1p81 h ASP 380 Ca -0.53 -0.88 -0.50 0.00 0.43 0.00 0.00 57.03 55.55 1p81 h ASP 380 Cb 1.33 -0.13 -0.38 0.00 -0.56 0.00 0.00 39.33 39.58 1p81 h ASP 380 CO 0.51 1.73 -0.78 0.21 -1.57 0.00 0.00 179.24 179.34 1p81 s ASN 381 N -7.08 2.39 0.17 6.45 3.84 -1.26 -4.64 114.94 114.81 1p81 s ASN 381 Ca -0.21 -0.48 -0.15 0.00 0.21 0.00 0.00 52.86 52.23 1p81 s ASN 381 Cb 0.06 -0.67 0.11 0.00 -0.55 0.00 0.00 41.25 40.19 1p81 s ASN 381 CO 0.77 -0.21 1.74 0.15 -2.79 0.00 0.00 177.10 176.76 1p81 h PHE 382 N 8.22 0.20 0.20 0.43 3.57 -1.98 -2.05 116.94 125.53 1p81 h PHE 382 Ca -0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1p81 h PHE 382 Cb 1.12 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1p81 h PHE 382 CO 0.42 0.06 -0.10 0.35 -2.23 0.00 0.00 178.31 176.81 1p81 h PHE 383 N 0.26 -0.25 -0.42 0.41 3.04 -1.96 0.26 116.94 118.28 1p81 h PHE 383 Ca 0.19 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 1p81 h PHE 383 Cb 0.21 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1p81 h PHE 383 CO -0.17 -0.10 -0.04 0.00 -2.02 0.00 0.00 178.31 175.98 1p81 h ALA 384 N 0.45 1.15 0.00 2.41 0.00 -1.95 -2.14 119.26 119.17 1p81 h ALA 384 Ca -0.03 -0.26 -0.37 0.00 0.00 0.00 0.00 54.91 54.25 1p81 h ALA 384 Cb 0.26 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1p81 h ALA 384 CO 0.05 0.54 -2.39 0.39 0.00 0.00 0.00 179.25 177.84 1p81 n GLU 385 N -4.21 0.60 -0.06 0.00 1.02 -0.78 -4.27 120.64 112.94 1p81 n GLU 385 Ca 0.02 0.15 -0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1p81 n GLU 385 Cb 0.30 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 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 -0.05 0.00 -0.89 1.62 -0.73 -0.64 -3.26 115.58 111.63 1p81 h ASN 386 Ca -0.55 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 57.61 1p81 h ASN 386 Cb 1.83 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 40.37 1p81 h ASN 386 CO -0.10 0.63 0.59 -0.08 -0.37 0.00 0.00 177.43 178.10 1p81 h GLU 387 N -1.00 1.16 -0.00 6.67 4.57 -1.08 -1.96 114.58 122.95 1p81 h GLU 387 Ca -0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1p81 h GLU 387 Cb 0.25 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1p81 h GLU 387 CO -0.00 0.77 -0.07 1.04 -1.18 0.00 0.00 179.01 179.57 1p81 n GLN 388 N -4.40 0.23 -1.95 1.92 6.02 -0.83 -4.89 117.38 113.47 1p81 n GLN 388 Ca 0.10 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.67 1p81 n GLN 388 Cb 0.03 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.80 3.11 -0.16 -1.58 0.00 -0.74 -4.89 121.76 114.71 1p81 s ALA 389 Ca 0.20 1.28 -0.00 0.00 0.00 0.00 0.00 51.96 53.44 1p81 s ALA 389 Cb 0.19 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1p81 s ALA 389 CO 0.52 -1.03 -0.07 0.00 0.00 0.00 0.00 175.76 175.18 1p81 s ALA 390 N -1.29 1.54 0.02 0.00 0.00 -1.26 -5.04 121.76 115.72 1p81 s ALA 390 Ca 0.62 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1p81 s ALA 390 Cb -0.39 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1p81 s ALA 390 CO 0.49 -0.69 0.02 -0.06 0.00 0.00 0.00 175.76 175.51 1p81 s PHE 391 N 1.61 3.10 -0.22 0.00 0.08 -1.26 -5.00 117.98 116.28 1p81 s PHE 391 Ca 0.02 0.08 -0.14 0.00 0.12 0.00 0.00 56.93 57.01 1p81 s PHE 391 Cb -0.15 -1.66 0.07 0.00 -0.57 0.00 0.00 43.02 40.72 1p81 s PHE 391 CO -0.08 0.48 0.55 -1.58 -0.10 0.00 0.00 175.22 174.49 1p81 s HIS 392 N -1.15 -0.82 0.01 0.36 5.65 -1.26 -4.96 115.29 113.12 1p81 s HIS 392 Ca 0.22 1.70 0.31 0.00 0.25 0.00 0.00 55.06 57.54 1p81 s HIS 392 Cb -0.12 0.43 1.46 0.00 -1.18 0.00 0.00 32.58 33.18 1p81 s HIS 392 CO 0.13 -0.42 1.94 -1.00 -0.65 0.00 0.00 174.74 174.73 1p81 h PRO 393 N 6.85 0.00 0.00 2.88 0.13 -1.92 -1.27 132.00 138.67 1p81 h PRO 393 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1p81 h PRO 393 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p81 h PRO 393 CO 0.22 0.00 -0.12 0.78 -0.23 0.00 0.00 178.00 178.65 1p81 h GLY 394 N 1.31 0.00 -7.37 1.56 0.00 -1.89 -3.40 103.07 93.27 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 0.00 0.00 1.72 1.42 0.00 0.00 0.00 176.54 179.68 1p81 n HIS 395 N -3.46 3.29 -3.65 5.60 8.25 -0.48 -4.94 115.22 119.82 1p81 n HIS 395 Ca -0.01 -2.04 -0.23 0.00 -0.26 0.00 0.00 57.72 55.18 1p81 n HIS 395 Cb 0.28 -2.51 -0.00 0.00 1.12 0.00 0.00 29.99 28.87 1p81 n HIS 395 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1p81 s ILE 396 N 7.67 2.03 0.14 1.59 -4.36 -1.26 -1.22 121.20 125.80 1p81 s ILE 396 Ca 0.61 -1.37 0.04 0.00 -0.26 0.00 0.00 60.65 59.67 1p81 s ILE 396 Cb 0.04 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 1p81 s ILE 396 CO 0.10 0.00 -0.08 0.68 0.24 0.00 0.00 174.94 175.88 1p81 s VAL 397 N -2.67 1.04 0.00 8.37 -7.23 -1.26 -4.83 120.40 113.83 1p81 s VAL 397 Ca 0.43 -2.03 -0.37 0.00 -1.81 0.00 0.00 61.98 58.20 1p81 s VAL 397 Cb -0.03 -1.85 -0.16 0.00 0.56 0.00 0.00 36.38 34.90 1p81 s VAL 397 CO 0.26 -0.74 1.50 -2.65 -0.31 0.00 0.00 175.10 173.17 1p81 n PRO 398 N -0.18 1.37 0.00 4.82 -0.02 -1.26 -1.57 135.00 138.16 1p81 n PRO 398 Ca -0.10 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1p81 n PRO 398 Cb 0.61 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 3.16 1.30 3.35 -1.23 0.00 -1.26 -3.49 105.19 107.03 1p81 n GLY 399 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 2.50 0.15 0.99 1.43 -0.61 -1.51 118.68 121.62 1p81 s LEU 400 Ca 0.00 -0.94 -0.24 0.00 -1.03 0.00 0.00 54.13 51.92 1p81 s LEU 400 Cb 0.00 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.48 1p81 s LEU 400 CO 0.00 -0.07 0.76 -0.62 0.23 0.00 0.00 176.35 176.65 1p81 s ASP 401 N -3.00 -0.38 0.76 2.29 3.68 -0.55 -4.74 116.67 114.73 1p81 s ASP 401 Ca 0.20 -0.21 -0.04 0.00 2.13 0.00 0.00 52.55 54.62 1p81 s ASP 401 Cb -0.04 0.56 0.11 0.00 -1.45 0.00 0.00 42.92 42.10 1p81 s ASP 401 CO 0.08 -0.96 0.70 0.49 0.13 0.00 0.00 175.17 175.61 1p81 n PHE 402 N -0.38 -3.47 -4.44 -5.34 3.01 -1.26 -0.62 117.46 104.95 1p81 n PHE 402 Ca -0.10 -0.95 -0.24 0.00 1.01 0.00 0.00 57.45 57.17 1p81 n PHE 402 Cb 0.62 -0.53 -0.08 0.00 -0.01 0.00 0.00 39.48 39.48 1p81 n PHE 402 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1p81 s THR 403 N -2.22 0.34 -2.03 4.37 -4.23 -1.26 -4.32 115.64 106.29 1p81 s THR 403 Ca 0.43 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 1p81 s THR 403 Cb -0.02 -2.36 0.27 0.00 1.34 0.00 0.00 72.50 71.73 1p81 s THR 403 CO 0.30 0.00 1.33 0.59 -0.54 0.00 0.00 174.62 176.30 1p81 n ASN 404 N -1.48 0.45 -4.71 3.99 3.02 -1.26 -4.70 115.26 110.57 1p81 n ASN 404 Ca -0.02 -1.77 -0.65 0.00 -0.03 0.00 0.00 54.58 52.11 1p81 n ASN 404 Cb 0.64 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.67 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 -0.36 1.28 0.04 6.41 -0.08 -1.26 -4.78 116.55 117.80 1p81 n ASP 405 Ca 0.08 1.17 0.10 0.00 -1.51 0.00 0.00 54.79 54.63 1p81 n ASP 405 Cb 0.10 -0.94 0.43 0.00 2.34 0.00 0.00 41.12 43.06 1p81 n ASP 405 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1p81 n PRO 406 N 3.92 0.07 -0.04 -0.67 -0.04 -1.26 -0.86 135.00 136.13 1p81 n PRO 406 Ca 0.29 0.22 -0.20 0.00 -0.04 0.00 0.00 63.50 63.77 1p81 n PRO 406 Cb -0.01 -1.62 -0.13 0.00 -0.04 0.00 0.00 33.50 31.71 1p81 n PRO 406 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1p81 h LEU 407 N 0.00 0.18 -0.55 1.53 5.85 -1.83 -2.39 115.31 118.10 1p81 h LEU 407 Ca 0.00 -0.79 -0.02 0.00 0.84 0.00 0.00 57.88 57.91 1p81 h LEU 407 Cb 0.39 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1p81 h LEU 407 CO 0.00 1.43 0.27 0.25 -0.34 0.00 0.00 178.44 180.05 1p81 h LEU 408 N -0.68 0.72 -0.68 2.25 5.85 -1.84 -1.31 115.31 119.61 1p81 h LEU 408 Ca -0.24 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.48 1p81 h LEU 408 Cb 1.44 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1p81 h LEU 408 CO -0.03 0.64 0.21 1.56 -0.34 0.00 0.00 178.44 180.48 1p81 h GLN 409 N 0.75 0.34 0.03 1.25 1.08 -1.14 -2.37 115.11 115.04 1p81 h GLN 409 Ca 0.19 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 57.14 1p81 h GLN 409 Cb 0.11 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1p81 h GLN 409 CO -0.02 0.22 -0.99 0.78 -0.95 0.00 0.00 178.83 177.87 1p81 h GLY 410 N 0.35 0.33 0.15 3.46 0.00 -1.55 -3.12 103.07 102.68 1p81 h GLY 410 Ca 0.37 -0.64 0.17 0.00 0.00 0.00 0.00 47.33 47.23 1p81 h GLY 410 CO -0.41 0.57 0.53 3.21 0.00 0.00 0.00 176.54 180.44 1p81 h ARG 411 N 0.15 0.68 -0.93 4.80 3.08 -0.75 -2.08 114.38 119.32 1p81 h ARG 411 Ca -0.08 -0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.15 1p81 h ARG 411 Cb 1.65 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.48 1p81 h ARG 411 CO 0.16 0.45 0.62 -0.07 -1.07 0.00 0.00 179.97 180.06 1p81 h LEU 412 N 0.70 0.37 0.00 3.04 3.38 -1.39 -1.58 115.31 119.83 1p81 h LEU 412 Ca 0.53 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.40 1p81 h LEU 412 Cb 0.80 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1p81 h LEU 412 CO -0.38 0.13 -0.58 0.15 0.09 0.00 0.00 178.44 177.84 1p81 h PHE 413 N 0.36 0.58 -0.36 1.13 3.57 -1.53 -3.39 116.94 117.30 1p81 h PHE 413 Ca 0.49 -0.32 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1p81 h PHE 413 Cb 1.31 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1p81 h PHE 413 CO -0.00 1.14 0.10 1.03 -2.23 0.00 0.00 178.31 178.35 1p81 h SER 414 N -0.14 0.53 0.94 0.41 0.87 -1.22 -3.08 113.55 111.85 1p81 h SER 414 Ca -0.07 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1p81 h SER 414 Cb 1.30 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1p81 h SER 414 CO 0.11 0.60 0.00 1.88 -0.53 0.00 0.00 176.83 178.90 1p81 h TYR 415 N 0.42 0.00 0.02 2.24 0.99 -1.73 -1.21 116.97 117.71 1p81 h TYR 415 Ca 0.11 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 1p81 h TYR 415 Cb 0.27 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.00 1p81 h TYR 415 CO 0.01 0.00 -0.14 1.15 -0.00 0.00 0.00 178.16 179.18 1p81 h THR 416 N 0.00 1.73 -0.29 -2.88 2.02 -1.78 -3.37 112.91 108.34 1p81 h THR 416 Ca 0.00 -2.32 0.07 0.00 0.77 0.00 0.00 66.41 64.93 1p81 h THR 416 Cb 0.47 3.30 -0.07 0.00 -1.74 0.00 0.00 68.15 70.10 1p81 h THR 416 CO 0.00 0.61 -0.23 -0.78 0.37 0.00 0.00 175.52 175.49 1p81 h ASP 417 N -0.86 -0.75 0.04 4.18 3.58 -1.38 -2.59 116.42 118.64 1p81 h ASP 417 Ca -0.02 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1p81 h ASP 417 Cb 1.08 0.37 -0.00 0.00 1.72 0.00 0.00 39.33 42.50 1p81 h ASP 417 CO 0.03 -0.26 -0.03 0.00 -2.88 0.00 0.00 179.24 176.09 1p81 h THR 418 N -0.21 0.91 0.00 2.25 1.03 -1.41 -2.04 112.91 113.44 1p81 h THR 418 Ca 0.15 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.43 1p81 h THR 418 Cb 0.45 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 1p81 h THR 418 CO -0.42 0.03 0.00 0.00 -0.01 0.00 0.00 175.52 175.13 1p81 n GLN 419 N -4.33 0.01 -0.14 0.00 3.00 -0.97 -2.01 117.38 112.93 1p81 n GLN 419 Ca -0.03 0.12 0.01 0.00 -0.01 0.00 0.00 57.00 57.09 1p81 n GLN 419 Cb 0.12 -1.51 0.28 0.00 0.00 0.00 0.00 30.24 29.13 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 1.18 0.06 5.09 1.08 -1.49 -0.57 117.51 122.86 1p81 h ILE 420 Ca 0.00 -0.43 -0.37 0.00 -0.39 0.00 0.00 64.86 63.67 1p81 h ILE 420 Cb 0.39 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1p81 h ILE 420 CO 0.00 0.19 -2.17 -1.54 -0.69 0.00 0.00 178.15 173.94 1p81 n SER 421 N -4.40 2.05 -0.11 1.72 3.41 -1.14 -1.86 113.62 113.30 1p81 n SER 421 Ca 0.06 0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1p81 n SER 421 Cb 0.08 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 63.33 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 -0.07 0.47 -0.30 4.33 2.43 -1.29 -3.13 114.38 116.82 1p81 h ARG 422 Ca -0.50 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1p81 h ARG 422 Cb 1.92 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1p81 h ARG 422 CO -0.02 0.33 0.00 1.28 -1.51 0.00 0.00 179.97 180.05 1p81 n LEU 423 N -4.83 4.08 0.00 3.80 4.77 -0.23 -4.33 117.00 120.26 1p81 n LEU 423 Ca -0.01 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 52.93 1p81 n LEU 423 Cb 0.04 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1p81 n LEU 423 CO 0.35 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1p81 n GLY 424 N -0.45 0.47 0.00 -0.72 0.00 -1.19 -4.76 105.19 98.55 1p81 n GLY 424 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.81 -1.41 0.30 -0.02 0.00 -0.78 -4.78 105.19 96.69 1p81 n GLY 425 Ca 0.00 -1.33 0.15 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.25 1.34 -1.05 1.61 -0.04 -1.26 -3.58 135.00 131.76 1p81 n PRO 426 Ca 0.00 -0.60 -0.08 0.00 -0.04 0.00 0.00 63.50 62.78 1p81 n PRO 426 Cb 0.00 -1.49 0.29 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.31 4.73 0.32 3.54 3.02 -1.26 -4.57 115.26 120.72 1p81 n ASN 427 Ca 0.20 -3.26 0.21 0.00 -0.03 0.00 0.00 54.58 51.70 1p81 n ASN 427 Cb 0.28 -0.76 1.10 0.00 -0.61 0.00 0.00 39.78 39.78 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 2.48 0.00 0.00 3.10 -5.15 -1.86 0.05 116.94 115.56 1p81 h PHE 428 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 1p81 h PHE 428 Cb 2.41 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.58 1p81 h PHE 428 CO 1.33 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 175.25 1p81 n HIS 429 N -3.01 0.32 0.82 6.09 1.44 -1.26 -2.47 115.22 117.15 1p81 n HIS 429 Ca -0.02 0.12 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 1p81 n HIS 429 Cb 0.10 -0.69 0.24 0.00 0.12 0.00 0.00 29.99 29.76 1p81 n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1p81 n GLU 430 N -1.79 0.12 -2.08 -1.40 1.02 0.00 -3.18 120.64 113.35 1p81 n GLU 430 Ca 0.04 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1p81 n GLU 430 Cb 0.23 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 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 -3.07 3.19 0.25 -3.67 1.01 -1.03 -4.84 121.20 113.04 1p81 s ILE 431 Ca 0.09 0.77 -0.13 0.00 0.00 0.00 0.00 60.65 61.37 1p81 s ILE 431 Cb 0.16 -3.49 0.34 0.00 0.01 0.00 0.00 42.46 39.47 1p81 s ILE 431 CO 0.70 0.03 1.56 -0.65 0.00 0.00 0.00 174.94 176.58 1p81 h PRO 432 N 7.36 -0.00 0.00 2.79 0.11 -1.89 0.17 132.00 140.54 1p81 h PRO 432 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1p81 h PRO 432 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1p81 h PRO 432 CO 0.90 -0.00 -0.09 0.97 -0.21 0.00 0.00 178.00 179.56 1p81 h ILE 433 N -0.00 0.69 0.00 4.15 6.09 -1.90 -2.35 117.51 124.19 1p81 h ILE 433 Ca 0.40 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.53 1p81 h ILE 433 Cb 0.65 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1p81 h ILE 433 CO -1.00 0.09 -0.47 0.59 -3.07 0.00 0.00 178.15 174.29 1p81 n ASN 434 N -3.89 0.59 -4.73 2.19 3.02 0.03 -4.91 115.26 107.55 1p81 n ASN 434 Ca -0.02 0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 1p81 n ASN 434 Cb 0.18 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 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 4.21 0.75 3.52 0.52 -0.89 -4.86 118.95 119.10 1p81 s ARG 435 Ca 0.09 2.41 -0.15 0.00 -0.52 0.00 0.00 55.73 57.55 1p81 s ARG 435 Cb 0.15 -3.11 0.04 0.00 0.52 0.00 0.00 34.95 32.55 1p81 s ARG 435 CO 0.68 -0.57 1.17 -2.30 0.02 0.00 0.00 175.30 174.30 1p81 n PRO 436 N 3.14 0.48 -0.00 3.54 -0.02 -1.26 -4.93 135.00 135.94 1p81 n PRO 436 Ca 0.11 0.23 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 1p81 n PRO 436 Cb 0.38 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 1p81 n PRO 436 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1p81 n THR 437 N -2.79 0.01 -2.77 3.45 -2.24 -1.26 -4.92 114.28 103.76 1p81 n THR 437 Ca 0.14 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1p81 n THR 437 Cb 0.50 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -4.68 3.77 -0.06 0.00 0.02 -1.26 -5.02 135.00 127.77 1p81 s PRO 439 Ca 0.54 2.29 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 1p81 s PRO 439 Cb -0.10 -2.67 0.04 0.00 0.02 0.00 0.00 34.50 31.79 1p81 s PRO 439 CO 0.38 -0.70 0.12 1.52 -0.33 0.00 0.00 177.00 177.99 1p81 s TYR 440 N -1.24 -0.10 -0.06 6.54 1.13 -1.26 -4.97 117.35 117.39 1p81 s TYR 440 Ca 0.60 0.46 -0.02 0.00 -1.41 0.00 0.00 57.07 56.70 1p81 s TYR 440 Cb -0.41 -0.27 0.04 0.00 -1.10 0.00 0.00 41.96 40.22 1p81 s TYR 440 CO 0.52 -0.22 0.12 -1.01 -2.51 0.00 0.00 175.55 172.46 1p81 s HIS 441 N 1.93 -0.12 0.00 -3.49 3.76 -1.26 -5.17 115.29 110.94 1p81 s HIS 441 Ca -0.00 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 1p81 s HIS 441 Cb -0.12 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.45 1p81 s HIS 441 CO -0.05 -0.15 0.00 0.27 -0.85 0.00 0.00 174.74 173.96 1p81 n ASN 442 N 4.22 0.00 -1.21 1.40 0.23 -1.26 -4.93 115.26 113.70 1p81 n ASN 442 Ca -0.27 -0.66 0.09 0.00 -0.53 0.00 0.00 54.58 53.21 1p81 n ASN 442 Cb 0.51 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.00 1.09 -2.60 -2.53 3.01 -1.26 -4.94 117.46 110.24 1p81 n PHE 443 Ca 0.00 -0.62 -0.39 0.00 1.01 0.00 0.00 57.45 57.45 1p81 n PHE 443 Cb 0.00 -0.18 -0.05 0.00 -0.01 0.00 0.00 39.48 39.24 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 -1.71 4.57 0.15 -1.08 -0.21 -1.26 -4.69 119.66 115.42 1p81 s GLN 444 Ca 0.42 1.60 -0.01 0.00 0.02 0.00 0.00 55.36 57.40 1p81 s GLN 444 Cb 0.27 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 1p81 s GLN 444 CO 0.21 0.21 0.06 1.03 -2.12 0.00 0.00 175.29 174.67 1p81 s ARG 445 N -1.71 0.99 3.06 2.91 1.81 -1.26 -5.08 118.95 119.68 1p81 s ARG 445 Ca 0.47 -1.48 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 1p81 s ARG 445 Cb -0.26 0.16 0.00 0.00 -0.45 0.00 0.00 34.95 34.39 1p81 s ARG 445 CO 0.33 -0.25 0.00 -0.25 -0.68 0.00 0.00 175.30 174.45 1p81 n ASP 446 N -0.14 -1.67 0.00 0.23 8.00 -1.26 -5.07 116.55 116.64 1p81 n ASP 446 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 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 1.97 3.77 0.44 0.00 -1.26 -4.72 105.19 105.40 1p81 n GLY 447 Ca 0.00 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.15 4.01 -1.31 1.61 1.75 -1.26 -3.04 119.30 117.91 1p81 s MET 448 Ca 0.00 2.42 -0.08 0.00 -1.25 0.00 0.00 55.69 56.78 1p81 s MET 448 Cb 0.00 -2.87 -0.00 0.00 2.84 0.00 0.00 34.83 34.80 1p81 s MET 448 CO 0.00 -0.55 0.56 1.58 -0.65 0.00 0.00 175.02 175.96 1p81 n HIS 449 N 0.29 -1.73 -2.32 4.11 -0.00 -1.26 -4.54 115.22 109.76 1p81 n HIS 449 Ca 0.02 0.63 -0.43 0.00 -0.00 0.00 0.00 57.72 57.95 1p81 n HIS 449 Cb 0.41 -3.65 -0.02 0.00 -0.00 0.00 0.00 29.99 26.73 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 -6.38 4.23 -0.20 1.57 6.06 -1.17 -4.90 118.95 118.15 1p81 s ARG 450 Ca 0.17 1.79 -0.19 0.00 -2.50 0.00 0.00 55.73 55.00 1p81 s ARG 450 Cb -0.06 -3.80 -0.20 0.00 0.06 0.00 0.00 34.95 30.95 1p81 s ARG 450 CO 0.88 -0.72 0.19 -1.33 -2.50 0.00 0.00 175.30 171.82 1p81 n MET 451 N 6.61 0.59 -2.11 5.12 2.81 -1.26 -4.94 117.12 123.95 1p81 n MET 451 Ca 0.14 0.51 -0.41 0.00 -1.81 0.00 0.00 57.70 56.13 1p81 n MET 451 Cb 0.44 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1p81 n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1p81 s GLY 452 N -5.02 2.49 -0.51 3.03 0.00 -1.26 -4.96 107.32 101.09 1p81 s GLY 452 Ca -0.29 1.23 -0.09 0.00 0.00 0.00 0.00 44.72 45.58 1p81 s GLY 452 CO 0.61 2.14 0.38 -0.42 0.00 0.00 0.00 173.10 175.81 1p81 s ILE 453 N -0.16 4.27 0.16 0.90 1.01 -1.26 -4.96 121.20 121.16 1p81 s ILE 453 Ca 0.57 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.97 1p81 s ILE 453 Cb -0.39 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 1p81 s ILE 453 CO 0.43 -0.80 1.20 -1.81 0.00 0.00 0.00 174.94 173.96 1p81 s ASP 454 N 2.47 7.08 0.00 3.58 1.11 -1.26 -4.92 116.67 124.73 1p81 s ASP 454 Ca 0.08 2.20 0.17 0.00 0.18 0.00 0.00 52.55 55.18 1p81 s ASP 454 Cb -0.25 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.07 1p81 s ASP 454 CO -0.02 -0.39 0.83 0.35 1.18 0.00 0.00 175.17 177.12 1p81 n THR 455 N 2.78 0.00 -1.67 -1.27 -2.24 -1.26 -4.98 114.28 105.65 1p81 n THR 455 Ca 0.05 -0.24 -0.47 0.00 -2.27 0.00 0.00 64.05 61.13 1p81 n THR 455 Cb 0.45 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.60 3.08 0.19 3.42 2.85 -1.26 -4.84 115.26 118.10 1p81 n ASN 456 Ca 0.06 1.07 0.17 0.00 -0.11 0.00 0.00 54.58 55.76 1p81 n ASN 456 Cb 0.33 -1.41 0.80 0.00 1.24 0.00 0.00 39.78 40.74 1p81 n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1p81 h PRO 457 N 6.34 0.00 -6.20 1.20 0.11 -1.93 -3.41 132.00 128.10 1p81 h PRO 457 Ca -0.46 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.98 1p81 h PRO 457 Cb 1.26 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.22 1p81 h PRO 457 CO 0.89 0.00 -0.67 0.00 -0.21 0.00 0.00 178.00 178.01 1p81 s ALA 458 N -4.71 3.16 -0.16 -0.75 0.00 -1.26 -5.00 121.76 113.04 1p81 s ALA 458 Ca -0.05 -0.97 0.14 0.00 0.00 0.00 0.00 51.96 51.09 1p81 s ALA 458 Cb 0.16 -1.26 0.37 0.00 0.00 0.00 0.00 23.12 22.39 1p81 s ALA 458 CO 0.58 0.63 1.19 0.27 0.00 0.00 0.00 175.76 178.42 1p81 n ASN 459 N 1.54 1.72 -3.77 0.00 2.04 -1.26 -5.00 115.26 110.53 1p81 n ASN 459 Ca -0.15 -3.40 -0.10 0.00 -0.44 0.00 0.00 54.58 50.49 1p81 n ASN 459 Cb 0.53 -0.46 -0.06 0.00 -2.53 0.00 0.00 39.78 37.25 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 -2.65 0.01 -0.02 -2.53 -0.85 -1.26 -4.81 117.35 105.24 1p81 s TYR 460 Ca 0.34 -0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 56.46 1p81 s TYR 460 Cb 0.33 0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.78 1p81 s TYR 460 CO -0.05 -0.65 0.12 -1.83 -1.52 0.00 0.00 175.55 171.61 1p81 s GLU 461 N -3.85 0.31 0.36 -3.49 4.04 -1.26 -4.09 118.70 110.72 1p81 s GLU 461 Ca 0.06 -0.14 -0.26 0.00 0.04 0.00 0.00 54.97 54.67 1p81 s GLU 461 Cb 0.03 0.13 -0.09 0.00 0.02 0.00 0.00 34.13 34.22 1p81 s GLU 461 CO -0.10 -0.06 1.05 -1.25 -1.84 0.00 0.00 175.26 173.06 1p81 s PRO 462 N -0.70 4.34 0.07 -4.83 0.04 -1.26 -5.19 135.00 127.47 1p81 s PRO 462 Ca -0.08 1.57 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1p81 s PRO 462 Cb -0.05 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 1p81 s PRO 462 CO 0.01 0.00 -0.14 0.54 0.04 0.00 0.00 177.00 177.45 1p81 s ASN 463 N -1.38 1.68 -0.03 6.66 2.20 -1.26 -5.03 114.94 117.78 1p81 s ASN 463 Ca 0.53 -0.61 0.20 0.00 -0.94 0.00 0.00 52.86 52.05 1p81 s ASN 463 Cb -0.24 -0.05 -0.31 0.00 -2.00 0.00 0.00 41.25 38.64 1p81 s ASN 463 CO 0.31 -0.07 0.44 -1.54 -2.94 0.00 0.00 177.10 173.30 1p81 n SER 464 N 1.32 0.45 0.13 3.54 3.41 -1.26 -1.62 113.62 119.60 1p81 n SER 464 Ca -0.21 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1p81 n SER 464 Cb 0.54 1.91 0.49 0.00 -0.26 0.00 0.00 64.21 66.89 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 -2.19 0.79 -1.64 -1.33 -5.35 -1.26 -1.89 119.36 106.49 1p81 n ILE 465 Ca -0.04 0.16 0.06 0.00 -0.27 0.00 0.00 62.75 62.66 1p81 n ILE 465 Cb 0.52 -1.09 0.11 0.00 -1.74 0.00 0.00 39.64 37.44 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 -2.27 1.47 -3.65 7.28 5.15 -1.26 -4.88 115.26 117.10 1p81 n ASN 466 Ca 0.03 -2.92 -0.28 0.00 -0.60 0.00 0.00 54.58 50.81 1p81 n ASN 466 Cb 0.26 -0.39 0.01 0.00 -0.53 0.00 0.00 39.78 39.13 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 -0.74 -4.46 -1.14 1.20 2.03 -0.79 -1.60 116.55 111.04 1p81 n ASP 467 Ca 0.12 -0.61 -0.15 0.00 0.52 0.00 0.00 54.79 54.67 1p81 n ASP 467 Cb 0.75 -3.61 -0.06 0.00 -0.72 0.00 0.00 41.12 37.47 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 -2.59 -4.84 -4.88 1.67 5.15 -0.64 -5.01 115.26 104.13 1p81 n ASN 468 Ca 0.01 0.37 -0.31 0.00 -0.60 0.00 0.00 54.58 54.05 1p81 n ASN 468 Cb 0.54 -3.65 -0.05 0.00 -0.53 0.00 0.00 39.78 36.09 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 -2.54 3.44 0.39 1.20 0.52 -0.63 -3.63 118.94 117.69 1p81 s TRP 469 Ca 0.00 0.78 -0.26 0.00 0.02 0.00 0.00 56.10 56.64 1p81 s TRP 469 Cb 0.00 -2.19 -0.09 0.00 -1.15 0.00 0.00 33.47 30.04 1p81 s TRP 469 CO 0.00 0.28 1.19 -1.25 0.02 0.00 0.00 176.95 177.19 1p81 s PRO 470 N -2.91 4.09 0.03 4.98 0.04 -1.26 -4.91 135.00 135.06 1p81 s PRO 470 Ca 0.46 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1p81 s PRO 470 Cb -0.11 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1p81 s PRO 470 CO 0.23 -0.30 0.13 1.03 0.04 0.00 0.00 177.00 178.12 1p81 s ARG 471 N -2.22 3.17 0.80 4.56 0.52 -1.24 -5.03 118.95 119.50 1p81 s ARG 471 Ca 0.56 -0.50 -0.13 0.00 -0.52 0.00 0.00 55.73 55.14 1p81 s ARG 471 Cb -0.32 -2.91 0.08 0.00 0.52 0.00 0.00 34.95 32.32 1p81 s ARG 471 CO 0.41 0.62 1.21 -1.21 0.02 0.00 0.00 175.30 176.35 1p81 s GLU 472 N -2.11 1.71 -0.05 3.54 2.02 -1.26 -5.04 118.70 117.50 1p81 s GLU 472 Ca 0.28 1.76 0.02 0.00 0.02 0.00 0.00 54.97 57.05 1p81 s GLU 472 Cb -0.12 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.34 1p81 s GLU 472 CO 0.20 -2.16 -0.09 0.99 0.02 0.00 0.00 175.26 174.21 1p81 s THR 473 N -2.12 0.90 0.65 3.63 2.01 -1.26 -5.08 115.64 114.37 1p81 s THR 473 Ca 0.73 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 1p81 s THR 473 Cb -0.29 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.37 1p81 s THR 473 CO 0.50 0.30 1.22 -2.84 -0.69 0.00 0.00 174.62 173.11 1p81 s PRO 474 N 0.71 2.60 0.64 4.92 0.02 -1.26 -2.16 135.00 140.47 1p81 s PRO 474 Ca -0.13 1.82 -0.18 0.00 0.02 0.00 0.00 61.00 62.53 1p81 s PRO 474 Cb -0.15 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 1p81 s PRO 474 CO 0.02 -1.50 1.27 -1.25 -0.33 0.00 0.00 177.00 175.22 1p81 s PRO 475 N -3.59 2.61 0.26 5.54 0.04 -1.25 -1.63 135.00 136.99 1p81 s PRO 475 Ca 0.77 1.99 -0.20 0.00 0.04 0.00 0.00 61.00 63.60 1p81 s PRO 475 Cb -0.31 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1p81 s PRO 475 CO 0.39 -1.53 0.94 0.20 0.04 0.00 0.00 177.00 177.04 1p81 s GLY 476 N -1.49 0.21 0.35 0.56 0.00 -1.26 -4.78 107.32 100.90 1p81 s GLY 476 Ca 0.81 -0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.09 1p81 s GLY 476 CO 0.39 1.33 1.88 -2.55 0.00 0.00 0.00 173.10 174.15 1p81 h PRO 477 N 2.00 0.46 -3.22 2.90 0.11 -1.95 -3.40 132.00 128.90 1p81 h PRO 477 Ca -0.29 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 1p81 h PRO 477 Cb 1.23 -0.07 -0.23 0.00 0.11 0.00 0.00 31.00 32.04 1p81 h PRO 477 CO 0.38 0.51 -0.42 -1.59 -0.21 0.00 0.00 178.00 176.67 1p81 s LYS 478 N -4.92 0.41 -1.35 1.05 0.00 -1.26 -4.83 119.74 108.85 1p81 s LYS 478 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 55.97 55.94 1p81 s LYS 478 Cb 0.15 0.19 0.00 0.00 0.00 0.00 0.00 37.83 38.17 1p81 s LYS 478 CO 0.76 -0.08 0.00 0.54 0.00 0.00 0.00 175.35 176.56 1p81 n ARG 479 N 2.23 -1.99 -3.40 1.78 5.12 -1.26 -4.96 116.66 114.17 1p81 n ARG 479 Ca -0.17 0.76 -0.22 0.00 -1.93 0.00 0.00 57.85 56.30 1p81 n ARG 479 Cb 0.57 -5.38 -0.00 0.00 -1.16 0.00 0.00 32.46 26.49 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 -2.05 1.45 0.68 -0.13 0.00 -1.26 -4.95 107.32 101.07 1p81 s GLY 480 Ca 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 44.72 43.41 1p81 s GLY 480 CO 0.00 -1.07 1.15 -0.32 0.00 0.00 0.00 173.10 172.86 1p81 s GLY 481 N -4.11 2.24 0.07 0.20 0.00 -0.64 -4.75 107.32 100.33 1p81 s GLY 481 Ca 0.43 0.68 -0.30 0.00 0.00 0.00 0.00 44.72 45.52 1p81 s GLY 481 CO 0.34 1.06 1.17 -0.12 0.00 0.00 0.00 173.10 175.54 1p81 s PHE 482 N -2.19 3.48 -0.04 1.90 5.36 -1.26 -3.89 117.98 121.34 1p81 s PHE 482 Ca 0.70 1.37 0.02 0.00 -0.96 0.00 0.00 56.93 58.06 1p81 s PHE 482 Cb -0.24 -3.38 0.01 0.00 -0.34 0.00 0.00 43.02 39.08 1p81 s PHE 482 CO 0.42 -1.08 -0.08 -2.00 -1.46 0.00 0.00 175.22 171.02 1p81 s GLU 483 N 0.87 1.10 0.48 10.12 2.12 -1.26 -4.94 118.70 127.19 1p81 s GLU 483 Ca 0.57 -0.26 -0.21 0.00 0.36 0.00 0.00 54.97 55.43 1p81 s GLU 483 Cb -0.29 -1.00 -0.08 0.00 0.26 0.00 0.00 34.13 33.02 1p81 s GLU 483 CO 0.30 0.03 1.05 -1.12 -0.54 0.00 0.00 175.26 174.98 1p81 s SER 484 N 0.55 6.31 0.22 -1.70 0.01 -1.26 -4.98 113.70 112.85 1p81 s SER 484 Ca -0.09 1.97 -0.31 0.00 1.31 0.00 0.00 55.95 58.83 1p81 s SER 484 Cb -0.12 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.43 1p81 s SER 484 CO 0.01 -0.80 1.57 -0.47 0.41 0.00 0.00 173.24 173.96 1p81 s TYR 485 N -1.92 2.96 -1.52 2.43 5.04 -1.26 -4.86 117.35 118.22 1p81 s TYR 485 Ca 0.67 0.70 -0.10 0.00 -2.44 0.00 0.00 57.07 55.89 1p81 s TYR 485 Cb -0.18 -3.97 -0.01 0.00 0.35 0.00 0.00 41.96 38.15 1p81 s TYR 485 CO 0.22 -3.45 2.63 1.04 -1.34 0.00 0.00 175.55 174.65 1p81 n GLN 486 N 3.23 3.60 -1.87 4.97 6.02 -1.26 -4.94 117.38 127.13 1p81 n GLN 486 Ca 0.11 -2.55 -0.41 0.00 -0.01 0.00 0.00 57.00 54.15 1p81 n GLN 486 Cb 0.38 -2.91 -0.00 0.00 1.02 0.00 0.00 30.24 28.73 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 1.89 4.07 0.10 -1.09 2.12 -1.26 -4.96 118.70 119.57 1p81 s GLU 487 Ca 0.60 2.47 -0.30 0.00 0.36 0.00 0.00 54.97 58.10 1p81 s GLU 487 Cb 0.16 -2.92 -0.06 0.00 0.26 0.00 0.00 34.13 31.57 1p81 s GLU 487 CO -0.07 -0.52 1.14 0.50 -0.54 0.00 0.00 175.26 175.77 1p81 s ARG 488 N -2.12 4.50 -0.11 4.30 6.06 -1.26 -5.03 118.95 125.29 1p81 s ARG 488 Ca 0.54 1.72 0.02 0.00 -2.50 0.00 0.00 55.73 55.51 1p81 s ARG 488 Cb -0.45 -3.33 -0.01 0.00 0.06 0.00 0.00 34.95 31.23 1p81 s ARG 488 CO 0.60 -0.11 -0.18 0.08 -2.50 0.00 0.00 175.30 173.18 1p81 s VAL 489 N 0.54 2.58 -0.21 7.11 1.01 -1.26 -5.10 120.40 125.07 1p81 s VAL 489 Ca 0.54 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1p81 s VAL 489 Cb -0.29 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.15 1p81 s VAL 489 CO 0.31 0.55 0.45 -0.70 0.00 0.00 0.00 175.10 175.71 1p81 s GLU 490 N 0.25 0.37 0.00 2.72 2.12 -1.26 -5.15 118.70 117.75 1p81 s GLU 490 Ca -0.12 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.28 1p81 s GLU 490 Cb -0.16 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.60 1p81 s GLU 490 CO 0.07 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1p81 n GLY 491 N 5.29 -0.27 3.93 -1.50 0.00 -1.26 -5.15 105.19 106.23 1p81 n GLY 491 Ca -0.10 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 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 5.86 -0.59 1.61 0.01 -1.26 -5.00 114.94 115.58 1p81 s ASN 492 Ca 0.00 0.61 -0.27 0.00 -0.71 0.00 0.00 52.86 52.49 1p81 s ASN 492 Cb 0.00 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 39.87 1p81 s ASN 492 CO 0.00 -0.79 1.56 -0.54 -1.51 0.00 0.00 177.10 175.82 1p81 s LYS 493 N -4.76 3.07 0.05 -0.60 1.02 -1.26 -4.97 119.74 112.30 1p81 s LYS 493 Ca 0.50 0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.99 1p81 s LYS 493 Cb -0.10 -4.22 -0.02 0.00 -0.52 0.00 0.00 37.83 32.96 1p81 s LYS 493 CO 0.42 -2.22 -0.13 0.14 -0.92 0.00 0.00 175.35 172.64 1p81 s VAL 494 N 7.03 1.03 -1.00 3.17 -7.23 -1.26 -5.06 120.40 117.07 1p81 s VAL 494 Ca 0.56 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 1p81 s VAL 494 Cb -0.12 -0.97 0.25 0.00 0.56 0.00 0.00 36.38 36.11 1p81 s VAL 494 CO 0.22 -0.12 0.98 -0.13 -0.31 0.00 0.00 175.10 175.74 1p81 s ARG 495 N -1.37 3.96 -0.01 4.82 0.52 -1.26 -5.01 118.95 120.59 1p81 s ARG 495 Ca -0.01 -2.90 -0.02 0.00 -0.52 0.00 0.00 55.73 52.28 1p81 s ARG 495 Cb -0.09 -4.52 0.00 0.00 0.52 0.00 0.00 34.95 30.87 1p81 s ARG 495 CO 0.01 -1.27 0.05 -2.00 0.02 0.00 0.00 175.30 172.12 1p81 s GLU 496 N -0.62 0.17 0.16 3.54 2.12 -1.26 -5.14 118.70 117.67 1p81 s GLU 496 Ca 0.26 -0.11 -0.28 0.00 0.36 0.00 0.00 54.97 55.19 1p81 s GLU 496 Cb -0.10 0.07 -0.07 0.00 0.26 0.00 0.00 34.13 34.29 1p81 s GLU 496 CO -0.08 -0.03 0.89 0.50 -0.54 0.00 0.00 175.26 176.00 1p81 s ARG 497 N -0.44 4.71 0.35 4.30 6.06 -1.26 -5.01 118.95 127.66 1p81 s ARG 497 Ca -0.05 1.36 -0.28 0.00 -2.50 0.00 0.00 55.73 54.26 1p81 s ARG 497 Cb -0.03 -3.32 -0.10 0.00 0.06 0.00 0.00 34.95 31.57 1p81 s ARG 497 CO 0.00 0.41 1.27 0.45 -2.50 0.00 0.00 175.30 174.93 1p81 s SER 498 N -0.68 6.67 0.45 -2.12 0.15 -1.26 -4.88 113.70 112.04 1p81 s SER 498 Ca 0.41 2.60 0.13 0.00 0.70 0.00 0.00 55.95 59.79 1p81 s SER 498 Cb -0.24 -2.64 1.03 0.00 -1.71 0.00 0.00 66.02 62.46 1p81 s SER 498 CO 0.29 -0.59 2.04 -0.65 1.20 0.00 0.00 173.24 175.53 1p81 h PRO 499 N 3.16 0.14 0.00 5.44 0.11 -2.00 -0.49 132.00 138.36 1p81 h PRO 499 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1p81 h PRO 499 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1p81 h PRO 499 CO 0.64 0.19 0.00 0.66 -0.21 0.00 0.00 178.00 179.28 1p81 h SER 500 N 0.14 0.00 0.48 -2.05 4.64 -2.03 -1.59 113.55 113.14 1p81 h SER 500 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 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 0.01 0.00 -0.39 0.49 -0.87 0.00 0.00 176.83 176.06 1p81 n PHE 501 N -2.70 0.00 -1.16 4.77 3.01 -0.19 -4.34 117.46 116.84 1p81 n PHE 501 Ca -0.01 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.26 1p81 n PHE 501 Cb 0.11 -0.24 -0.13 0.00 -0.01 0.00 0.00 39.48 39.21 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 1.46 3.45 2.72 1.37 0.00 -0.60 -4.77 105.19 108.81 1p81 n GLY 502 Ca 0.07 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 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 0.47 0.10 0.00 1.61 -6.30 -1.26 -5.07 118.70 108.25 1p81 s GLU 503 Ca 0.65 0.27 0.00 0.00 -2.50 0.00 0.00 54.97 53.39 1p81 s GLU 503 Cb 0.32 -0.56 0.00 0.00 0.00 0.00 0.00 34.13 33.88 1p81 s GLU 503 CO -0.05 -0.28 0.07 0.66 0.02 0.00 0.00 175.26 175.67 1p81 n TYR 504 N 5.01 0.00 0.09 5.30 4.01 -1.26 -4.86 117.16 125.46 1p81 n TYR 504 Ca -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.67 1p81 n TYR 504 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.82 0.00 0.09 -0.72 4.01 -1.26 -4.55 117.16 113.91 1p81 n TYR 505 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1p81 n TYR 505 Cb 0.00 -0.05 0.11 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.21 -0.11 7.72 4.64 -1.89 -1.24 113.55 122.88 1p81 h SER 506 Ca 0.00 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.01 1p81 h SER 506 Cb 0.15 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1p81 h SER 506 CO 0.00 0.80 -0.66 0.45 -0.87 0.00 0.00 176.83 176.55 1p81 h HIS 507 N 0.13 0.86 -0.96 4.77 3.86 -1.90 -0.50 115.15 121.42 1p81 h HIS 507 Ca -0.01 -0.39 0.07 0.00 -1.16 0.00 0.00 60.37 58.87 1p81 h HIS 507 Cb 1.16 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 29.44 1p81 h HIS 507 CO 0.02 1.20 0.62 -1.35 0.86 0.00 0.00 177.93 179.28 1p81 h PRO 508 N 0.28 1.08 -0.21 2.45 0.11 -1.80 -0.13 132.00 133.79 1p81 h PRO 508 Ca -0.05 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.83 1p81 h PRO 508 Cb 1.30 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1p81 h PRO 508 CO 0.13 0.71 -0.56 -0.09 -0.21 0.00 0.00 178.00 177.99 1p81 h ARG 509 N 1.11 0.63 -0.45 1.05 2.43 -0.96 -1.24 114.38 116.95 1p81 h ARG 509 Ca 0.41 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1p81 h ARG 509 Cb 0.18 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1p81 h ARG 509 CO -0.16 1.02 0.20 1.25 -1.51 0.00 0.00 179.97 180.76 1p81 h LEU 510 N 0.48 0.61 0.26 3.80 5.85 -0.21 -1.46 115.31 124.65 1p81 h LEU 510 Ca 0.01 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1p81 h LEU 510 Cb 1.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1p81 h LEU 510 CO 0.11 0.59 -0.13 0.15 -0.34 0.00 0.00 178.44 178.82 1p81 h PHE 511 N 0.59 -0.33 -0.70 1.25 3.04 -0.90 -2.47 116.94 117.42 1p81 h PHE 511 Ca 0.15 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.20 1p81 h PHE 511 Cb 0.16 0.11 -0.08 0.00 2.56 0.00 0.00 35.95 38.70 1p81 h PHE 511 CO -0.00 -0.18 0.31 2.35 -2.02 0.00 0.00 178.31 178.77 1p81 h TRP 512 N -0.38 0.54 0.00 0.41 2.91 -0.98 -2.61 115.95 115.84 1p81 h TRP 512 Ca -0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1p81 h TRP 512 Cb 0.29 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1p81 h TRP 512 CO -0.05 0.15 0.00 -0.07 -1.03 0.00 0.00 178.44 177.43 1p81 h LEU 513 N 0.51 0.00 0.00 0.65 3.38 -1.15 -2.91 115.31 115.78 1p81 h LEU 513 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1p81 h LEU 513 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1p81 h LEU 513 CO -0.32 0.00 -0.24 -1.20 0.09 0.00 0.00 178.44 176.77 1p81 n SER 514 N -2.99 0.32 -4.81 -0.43 7.64 -0.94 -4.88 113.62 107.53 1p81 n SER 514 Ca 0.02 0.20 -0.35 0.00 1.01 0.00 0.00 58.87 59.74 1p81 n SER 514 Cb 0.35 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 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 -3.02 4.30 1.04 1.43 -1.52 -1.10 -4.26 119.66 116.52 1p81 s GLN 515 Ca 0.12 0.98 -0.12 0.00 -1.95 0.00 0.00 55.36 54.39 1p81 s GLN 515 Cb 0.17 -2.72 0.21 0.00 -0.22 0.00 0.00 33.01 30.45 1p81 s GLN 515 CO 0.61 0.29 1.07 0.95 -0.25 0.00 0.00 175.29 177.96 1p81 s THR 516 N -1.68 2.17 0.24 -0.19 -4.23 -1.26 -4.72 115.64 105.98 1p81 s THR 516 Ca 0.48 0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.98 1p81 s THR 516 Cb -0.15 -2.24 0.24 0.00 1.34 0.00 0.00 72.50 71.68 1p81 s THR 516 CO 0.20 -0.07 1.91 -0.65 -0.54 0.00 0.00 174.62 175.47 1p81 h PRO 517 N -2.18 1.28 -0.05 3.99 0.11 -1.97 0.11 132.00 133.29 1p81 h PRO 517 Ca -0.55 -0.09 -0.17 0.00 0.11 0.00 0.00 66.00 65.31 1p81 h PRO 517 Cb 1.31 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1p81 h PRO 517 CO 0.50 0.86 -0.71 0.27 -0.21 0.00 0.00 178.00 178.72 1p81 h PHE 518 N 1.31 0.34 -0.70 0.65 -0.00 -1.97 -2.06 116.94 114.52 1p81 h PHE 518 Ca 0.35 -0.15 -0.06 0.00 -0.00 0.00 0.00 57.97 58.11 1p81 h PHE 518 Cb -0.12 -0.05 -0.03 0.00 -0.00 0.00 0.00 35.95 35.75 1p81 h PHE 518 CO -0.00 0.87 0.21 0.93 -0.00 0.00 0.00 178.31 180.32 1p81 h GLU 519 N 0.17 1.09 -0.69 6.09 5.08 -1.74 -2.14 114.58 122.44 1p81 h GLU 519 Ca -0.02 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1p81 h GLU 519 Cb 1.26 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1p81 h GLU 519 CO 0.11 0.94 0.37 1.96 -1.00 0.00 0.00 179.01 181.40 1p81 h GLN 520 N 1.03 0.97 -0.85 2.33 4.20 -0.57 -1.90 115.11 120.32 1p81 h GLN 520 Ca 0.22 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1p81 h GLN 520 Cb 0.31 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1p81 h GLN 520 CO -0.01 0.74 0.56 -0.09 -0.67 0.00 0.00 178.83 179.36 1p81 h ARG 521 N 0.96 1.12 -0.31 1.46 9.65 -1.06 -0.58 114.38 125.62 1p81 h ARG 521 Ca 0.24 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.96 1p81 h ARG 521 Cb 0.05 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 1p81 h ARG 521 CO -0.04 0.75 -0.19 0.45 2.80 0.00 0.00 179.97 183.75 1p81 h HIS 522 N 1.16 0.62 0.07 2.20 3.86 -1.05 -0.56 115.15 121.44 1p81 h HIS 522 Ca 0.31 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1p81 h HIS 522 Cb -0.12 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.19 1p81 h HIS 522 CO -0.01 0.72 -0.03 0.82 0.86 0.00 0.00 177.93 180.28 1p81 h ILE 523 N 0.51 0.99 -0.30 2.45 2.04 -0.70 0.48 117.51 122.98 1p81 h ILE 523 Ca 0.08 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1p81 h ILE 523 Cb 0.61 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 1p81 h ILE 523 CO 0.04 0.04 -0.12 0.58 0.00 0.00 0.00 178.15 178.70 1p81 h VAL 524 N -0.17 0.61 -0.96 1.67 2.07 -0.81 -1.14 116.25 117.52 1p81 h VAL 524 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1p81 h VAL 524 Cb 0.14 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1p81 h VAL 524 CO 0.02 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.67 1p81 h ASP 525 N -0.06 1.05 0.22 0.57 3.45 -0.98 -0.45 116.42 120.22 1p81 h ASP 525 Ca 0.15 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 1p81 h ASP 525 Cb 0.30 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1p81 h ASP 525 CO -0.34 0.73 -0.11 1.23 -1.57 0.00 0.00 179.24 179.18 1p81 h GLY 526 N 1.23 -0.31 0.77 2.75 0.00 -0.16 -0.27 103.07 107.08 1p81 h GLY 526 Ca 0.37 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.85 1p81 h GLY 526 CO -0.11 -0.11 0.20 0.74 0.00 0.00 0.00 176.54 177.25 1p81 h PHE 527 N -0.41 0.36 -0.48 5.60 0.04 -1.12 -1.70 116.94 119.22 1p81 h PHE 527 Ca -0.03 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1p81 h PHE 527 Cb 0.31 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1p81 h PHE 527 CO -0.03 0.18 0.27 0.77 -0.60 0.00 0.00 178.31 178.91 1p81 h SER 528 N 0.40 0.59 0.02 2.17 0.02 -0.85 -0.61 113.55 115.30 1p81 h SER 528 Ca 0.18 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1p81 h SER 528 Cb 0.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1p81 h SER 528 CO -0.13 0.50 -0.01 0.15 -1.14 0.00 0.00 176.83 176.19 1p81 h PHE 529 N 0.64 -0.03 -0.15 3.45 3.04 -0.93 -1.45 116.94 121.50 1p81 h PHE 529 Ca 0.17 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.13 1p81 h PHE 529 Cb 0.03 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 1p81 h PHE 529 CO -0.02 0.24 0.09 0.93 -2.02 0.00 0.00 178.31 177.53 1p81 h GLU 530 N -0.30 0.18 -0.34 1.11 5.08 -1.18 -2.78 114.58 116.35 1p81 h GLU 530 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1p81 h GLU 530 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1p81 h GLU 530 CO 0.01 0.12 0.13 -0.07 -1.00 0.00 0.00 179.01 178.19 1p81 h LEU 531 N 0.18 0.43 -2.21 1.33 4.07 -1.12 -0.90 115.31 117.10 1p81 h LEU 531 Ca 0.06 -0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.02 1p81 h LEU 531 Cb -0.00 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1p81 h LEU 531 CO -0.03 0.41 0.13 0.28 -1.08 0.00 0.00 178.44 178.15 1p81 h SER 532 N 0.48 0.00 0.10 -0.43 0.02 -0.97 -1.71 113.55 111.04 1p81 h SER 532 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1p81 h SER 532 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1p81 h SER 532 CO -0.01 0.00 -0.11 0.29 -1.14 0.00 0.00 176.83 175.86 1p81 n LYS 533 N -4.05 1.31 -2.79 3.45 4.76 -0.35 -4.80 118.16 115.69 1p81 n LYS 533 Ca 0.00 -0.75 -0.42 0.00 -2.87 0.00 0.00 58.31 54.27 1p81 n LYS 533 Cb 0.25 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 1p81 n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1p81 s VAL 534 N -2.21 4.67 0.28 -0.18 1.01 -0.64 -4.58 120.40 118.76 1p81 s VAL 534 Ca 0.32 1.51 0.11 0.00 0.00 0.00 0.00 61.98 63.92 1p81 s VAL 534 Cb 0.20 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1p81 s VAL 534 CO 0.41 -0.32 1.65 0.58 0.00 0.00 0.00 175.10 177.42 1p81 h VAL 535 N 5.62 1.40 -3.53 2.92 2.07 -1.87 -3.42 116.25 119.45 1p81 h VAL 535 Ca -0.22 -1.97 -0.66 0.00 0.82 0.00 0.00 66.70 64.67 1p81 h VAL 535 Cb 1.08 2.07 -0.16 0.00 -1.52 0.00 0.00 31.29 32.76 1p81 h VAL 535 CO 0.95 0.56 0.12 -0.13 0.02 0.00 0.00 177.57 179.09 1p81 s ARG 536 N -3.70 3.25 0.45 1.57 0.52 -1.26 -4.94 118.95 114.84 1p81 s ARG 536 Ca -0.01 -0.45 0.18 0.00 -0.52 0.00 0.00 55.73 54.93 1p81 s ARG 536 Cb 0.13 -3.98 1.13 0.00 0.52 0.00 0.00 34.95 32.76 1p81 s ARG 536 CO 0.75 -1.05 1.93 -1.35 0.02 0.00 0.00 175.30 175.59 1p81 h PRO 537 N 8.91 0.32 0.00 3.54 0.11 -1.98 -0.34 132.00 142.55 1p81 h PRO 537 Ca -0.26 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1p81 h PRO 537 Cb 1.09 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1p81 h PRO 537 CO 0.91 0.21 -0.24 0.10 -0.21 0.00 0.00 178.00 178.76 1p81 h TYR 538 N 0.33 0.00 -0.39 0.65 -0.00 -1.97 -1.15 116.97 114.44 1p81 h TYR 538 Ca 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.03 1p81 h TYR 538 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.66 1p81 h TYR 538 CO -0.00 0.24 0.01 0.82 -0.00 0.00 0.00 178.16 179.24 1p81 h ILE 539 N 0.00 1.26 -0.58 -0.90 2.04 -1.46 -1.08 117.51 116.79 1p81 h ILE 539 Ca -0.00 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.93 1p81 h ILE 539 Cb 0.46 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1p81 h ILE 539 CO 0.03 0.33 0.31 0.03 0.00 0.00 0.00 178.15 178.85 1p81 h ARG 540 N 0.51 0.57 -0.44 2.37 3.08 -1.25 -1.68 114.38 117.55 1p81 h ARG 540 Ca 0.11 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1p81 h ARG 540 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1p81 h ARG 540 CO 0.02 0.38 0.28 0.93 -1.07 0.00 0.00 179.97 180.51 1p81 h GLU 541 N 0.59 0.56 -0.65 0.04 5.08 -1.22 -0.41 114.58 118.58 1p81 h GLU 541 Ca 0.25 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1p81 h GLU 541 Cb 0.14 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1p81 h GLU 541 CO -0.16 0.37 0.21 0.00 -1.00 0.00 0.00 179.01 178.43 1p81 h ARG 542 N 0.58 0.98 -0.42 2.33 3.08 -0.82 -0.51 114.38 119.59 1p81 h ARG 542 Ca 0.16 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1p81 h ARG 542 Cb -0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1p81 h ARG 542 CO -0.05 0.83 -0.09 0.28 -1.07 0.00 0.00 179.97 179.88 1p81 h VAL 543 N 0.95 1.27 -0.82 2.04 2.07 -0.87 -2.24 116.25 118.64 1p81 h VAL 543 Ca 0.21 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.58 1p81 h VAL 543 Cb 0.26 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1p81 h VAL 543 CO -0.01 0.40 0.53 0.58 0.02 0.00 0.00 177.57 179.09 1p81 h VAL 544 N 0.63 1.14 -0.85 2.57 2.07 -0.68 -0.35 116.25 120.77 1p81 h VAL 544 Ca 0.11 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1p81 h VAL 544 Cb 0.61 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1p81 h VAL 544 CO 0.04 0.19 0.56 -0.78 0.02 0.00 0.00 177.57 177.60 1p81 h ASP 545 N 1.04 0.82 -0.01 0.57 1.82 -0.85 -0.75 116.42 119.06 1p81 h ASP 545 Ca 0.33 0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.84 1p81 h ASP 545 Cb -0.01 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 1p81 h ASP 545 CO -0.11 0.52 -0.42 1.56 -1.61 0.00 0.00 179.24 179.18 1p81 h GLN 546 N 0.92 0.53 -0.43 0.28 1.08 -0.53 -2.79 115.11 114.18 1p81 h GLN 546 Ca 0.37 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1p81 h GLN 546 Cb 0.26 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1p81 h GLN 546 CO -0.14 0.85 0.11 -0.07 -0.95 0.00 0.00 178.83 178.64 1p81 h LEU 547 N 0.44 0.58 -2.21 1.46 3.38 0.24 -1.15 115.31 118.05 1p81 h LEU 547 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1p81 h LEU 547 Cb 0.91 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1p81 h LEU 547 CO 0.08 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1p81 h ALA 548 N 1.51 1.00 -0.00 1.53 0.00 -0.99 -0.17 119.26 122.14 1p81 h ALA 548 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p81 h ALA 548 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1p81 h ALA 548 CO -0.01 0.00 -0.20 0.72 0.00 0.00 0.00 179.25 179.76 1p81 n HIS 549 N -3.03 0.00 -0.10 0.00 8.25 -0.44 -4.30 115.22 115.60 1p81 n HIS 549 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1p81 n HIS 549 Cb 0.18 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.41 1.50 -3.67 1.59 5.41 -0.15 -4.23 119.36 118.41 1p81 n ILE 550 Ca 0.08 0.08 -0.08 0.00 1.00 0.00 0.00 62.75 63.83 1p81 n ILE 550 Cb 0.33 -2.30 -0.09 0.00 -0.71 0.00 0.00 39.64 36.87 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 -6.09 -0.68 0.27 4.38 -1.08 -0.74 -4.63 116.67 108.09 1p81 s ASP 551 Ca -0.30 1.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.89 1p81 s ASP 551 Cb 0.05 1.19 0.38 0.00 -1.46 0.00 0.00 42.92 43.09 1p81 s ASP 551 CO 0.43 -0.22 1.81 0.25 0.52 0.00 0.00 175.17 177.96 1p81 h LEU 552 N 7.30 0.76 -0.27 -1.34 7.12 -1.81 -1.79 115.31 125.28 1p81 h LEU 552 Ca -0.30 -0.15 -0.02 0.00 0.13 0.00 0.00 57.88 57.54 1p81 h LEU 552 Cb 1.18 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 1p81 h LEU 552 CO 0.21 0.78 0.09 0.74 -0.13 0.00 0.00 178.44 180.13 1p81 h THR 553 N 0.77 1.19 -0.20 1.05 2.02 -1.97 -0.95 112.91 114.83 1p81 h THR 553 Ca 0.16 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1p81 h THR 553 Cb 0.34 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1p81 h THR 553 CO 0.01 0.20 0.10 0.25 0.37 0.00 0.00 175.52 176.45 1p81 h LEU 554 N 0.28 0.16 -0.95 2.58 5.85 -1.89 -1.72 115.31 119.62 1p81 h LEU 554 Ca 0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1p81 h LEU 554 Cb 0.22 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1p81 h LEU 554 CO -0.00 0.12 0.40 0.00 -0.34 0.00 0.00 178.44 178.62 1p81 h ALA 555 N 1.09 1.18 -0.35 1.25 0.00 -1.13 -1.89 119.26 119.41 1p81 h ALA 555 Ca 0.08 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1p81 h ALA 555 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1p81 h ALA 555 CO -0.05 0.63 -0.40 1.96 0.00 0.00 0.00 179.25 181.39 1p81 h GLN 556 N 1.15 0.86 -0.70 0.00 4.20 -1.04 -0.20 115.11 119.38 1p81 h GLN 556 Ca 0.28 -0.46 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1p81 h GLN 556 Cb 0.09 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1p81 h GLN 556 CO -0.04 1.10 0.21 0.00 -0.67 0.00 0.00 178.83 179.44 1p81 h ALA 557 N 0.84 0.91 -0.14 3.87 0.00 -1.09 0.55 119.26 124.21 1p81 h ALA 557 Ca 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1p81 h ALA 557 Cb 0.98 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1p81 h ALA 557 CO 0.09 0.60 -0.14 0.28 0.00 0.00 0.00 179.25 180.08 1p81 h VAL 558 N 1.03 1.35 -0.85 0.00 2.07 -1.30 -2.78 116.25 115.77 1p81 h VAL 558 Ca 0.22 -1.31 0.12 0.00 0.82 0.00 0.00 66.70 66.55 1p81 h VAL 558 Cb 0.31 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.90 1p81 h VAL 558 CO -0.01 0.38 0.47 0.00 0.02 0.00 0.00 177.57 178.44 1p81 h ALA 559 N 0.60 1.26 -0.27 1.67 0.00 -0.94 -1.48 119.26 120.10 1p81 h ALA 559 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1p81 h ALA 559 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1p81 h ALA 559 CO 0.04 0.01 -0.12 -0.22 0.00 0.00 0.00 179.25 178.96 1p81 h LYS 560 N 0.72 0.44 0.00 0.00 3.64 -0.81 0.22 116.57 120.79 1p81 h LYS 560 Ca 0.44 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1p81 h LYS 560 Cb 0.52 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1p81 h LYS 560 CO -0.31 0.57 -0.07 -0.91 -2.27 0.00 0.00 179.45 176.46 1p81 h ASN 561 N 0.41 0.00 -0.03 4.20 2.35 -1.00 -2.70 115.58 118.82 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 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1p81 h ASN 561 CO 0.03 0.07 -0.05 0.18 -1.65 0.00 0.00 177.43 176.01 1p81 n LEU 562 N -3.18 2.81 -1.33 1.61 4.77 -0.68 -4.95 117.00 116.05 1p81 n LEU 562 Ca 0.01 -0.94 -0.12 0.00 -0.03 0.00 0.00 56.01 54.93 1p81 n LEU 562 Cb 0.38 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1p81 n LEU 562 CO 0.30 0.47 -0.15 0.61 -1.33 0.00 0.00 177.39 177.29 1p81 n GLY 563 N 1.35 0.00 3.72 -0.72 0.00 -0.06 -5.00 105.19 104.48 1p81 n GLY 563 Ca 0.14 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.59 4.37 -0.18 -0.61 1.01 0.58 -5.01 121.20 118.77 1p81 s ILE 564 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1p81 s ILE 564 Cb 0.00 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1p81 s ILE 564 CO 0.00 0.33 -0.09 -1.61 0.00 0.00 0.00 174.94 173.57 1p81 s GLU 565 N -1.74 3.35 0.39 2.79 2.02 -1.26 -3.96 118.70 120.29 1p81 s GLU 565 Ca 0.22 -0.66 -0.26 0.00 0.02 0.00 0.00 54.97 54.28 1p81 s GLU 565 Cb -0.12 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.20 1p81 s GLU 565 CO 0.13 -0.04 1.25 -0.51 0.02 0.00 0.00 175.26 176.11 1p81 s LEU 566 N 1.03 4.24 0.84 1.80 1.43 -1.26 -5.03 118.68 121.73 1p81 s LEU 566 Ca -0.00 2.54 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 1p81 s LEU 566 Cb -0.15 -3.91 0.10 0.00 0.03 0.00 0.00 46.19 42.27 1p81 s LEU 566 CO -0.01 -0.74 1.16 0.42 0.23 0.00 0.00 176.35 177.41 1p81 s THR 567 N -1.29 2.05 0.19 5.49 -4.23 -1.26 -4.85 115.64 111.74 1p81 s THR 567 Ca 0.56 0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 1p81 s THR 567 Cb -0.36 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.67 1p81 s THR 567 CO 0.46 -0.02 1.73 0.44 -0.54 0.00 0.00 174.62 176.69 1p81 h ASP 568 N -1.21 0.99 -0.16 3.99 3.32 -1.98 0.64 116.42 122.02 1p81 h ASP 568 Ca -0.48 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.39 1p81 h ASP 568 Cb 1.33 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1p81 h ASP 568 CO 0.64 0.93 0.04 0.44 -1.72 0.00 0.00 179.24 179.57 1p81 h ASP 569 N 1.01 0.04 -0.69 6.45 3.45 -1.97 -1.68 116.42 123.03 1p81 h ASP 569 Ca 0.23 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.69 1p81 h ASP 569 Cb 0.27 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 1p81 h ASP 569 CO -0.01 0.05 0.38 1.56 -1.57 0.00 0.00 179.24 179.65 1p81 h GLN 570 N 0.12 0.97 0.00 3.56 4.20 -1.79 -1.58 115.11 120.58 1p81 h GLN 570 Ca 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1p81 h GLN 570 Cb 0.05 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1p81 h GLN 570 CO -0.08 0.71 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.67 1p81 h LEU 571 N 0.98 0.00 -3.08 1.46 4.07 -0.36 -2.91 115.31 115.47 1p81 h LEU 571 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1p81 h LEU 571 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1p81 h LEU 571 CO -0.04 0.05 0.00 0.59 -1.08 0.00 0.00 178.44 177.96 1p81 n ASN 572 N -3.26 4.17 -4.71 -0.43 5.03 -0.61 -4.97 115.26 110.48 1p81 n ASN 572 Ca -0.01 -2.41 -0.42 0.00 0.87 0.00 0.00 54.58 52.61 1p81 n ASN 572 Cb 0.24 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.48 1p81 n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1p81 s ILE 573 N -1.76 3.06 0.20 2.41 1.01 -1.10 -4.94 121.20 120.08 1p81 s ILE 573 Ca 0.43 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.50 1p81 s ILE 573 Cb 0.28 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 1p81 s ILE 573 CO 0.21 0.04 1.38 -0.89 0.00 0.00 0.00 174.94 175.68 1p81 s THR 574 N 1.39 3.00 0.54 2.92 2.01 -1.26 -4.96 115.64 119.28 1p81 s THR 574 Ca 0.68 0.81 -0.21 0.00 0.31 0.00 0.00 61.69 63.27 1p81 s THR 574 Cb -0.39 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1p81 s THR 574 CO 0.30 0.11 1.23 -2.16 -0.69 0.00 0.00 174.62 173.41 1p81 s PRO 575 N 0.07 3.28 0.89 4.92 0.04 -1.26 -4.97 135.00 137.98 1p81 s PRO 575 Ca 0.60 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 63.44 1p81 s PRO 575 Cb -0.39 -2.17 0.13 0.00 0.04 0.00 0.00 34.50 32.12 1p81 s PRO 575 CO 0.38 -0.98 1.13 -1.25 0.04 0.00 0.00 177.00 176.33 1p81 s PRO 576 N -3.02 1.21 0.80 0.56 0.04 -1.26 -5.00 135.00 128.34 1p81 s PRO 576 Ca 0.71 1.46 -0.10 0.00 0.04 0.00 0.00 61.00 63.11 1p81 s PRO 576 Cb -0.32 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1p81 s PRO 576 CO 0.37 -2.46 1.10 -1.25 0.04 0.00 0.00 177.00 174.79 1p81 s PRO 577 N -4.70 2.04 0.96 0.56 0.04 -1.26 -4.95 135.00 127.70 1p81 s PRO 577 Ca 0.66 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1p81 s PRO 577 Cb -0.22 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.62 1p81 s PRO 577 CO 0.58 -1.81 1.11 0.16 0.04 0.00 0.00 177.00 177.08 1p81 s ASP 578 N -3.29 2.96 -0.47 6.66 1.47 -1.26 -4.71 116.67 118.03 1p81 s ASP 578 Ca 0.62 1.11 -0.16 0.00 1.18 0.00 0.00 52.55 55.31 1p81 s ASP 578 Cb -0.18 -1.75 0.07 0.00 -0.34 0.00 0.00 42.92 40.72 1p81 s ASP 578 CO 0.56 -2.91 0.39 -0.69 0.68 0.00 0.00 175.17 173.21 1p81 s VAL 579 N -3.08 5.23 -1.46 2.11 1.01 -1.07 -4.50 120.40 118.64 1p81 s VAL 579 Ca 0.65 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1p81 s VAL 579 Cb -0.17 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1p81 s VAL 579 CO 0.56 -0.56 0.39 0.59 0.00 0.00 0.00 175.10 176.08 1p81 n ASN 580 N 5.23 -0.41 0.00 3.32 4.13 -1.26 -0.96 115.26 125.31 1p81 n ASN 580 Ca -0.12 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.09 1p81 n ASN 580 Cb 0.44 -2.79 0.00 0.00 -1.54 0.00 0.00 39.78 35.89 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 -2.02 0.82 3.79 7.41 0.00 -1.26 -5.01 105.19 108.91 1p81 n GLY 581 Ca -0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 4.48 -0.08 0.99 1.43 -0.14 -4.94 118.68 120.43 1p81 s LEU 582 Ca 0.00 1.23 0.11 0.00 -1.03 0.00 0.00 54.13 54.45 1p81 s LEU 582 Cb 0.00 -2.92 0.27 0.00 0.03 0.00 0.00 46.19 43.56 1p81 s LEU 582 CO 0.00 0.20 1.19 0.29 0.23 0.00 0.00 176.35 178.26 1p81 n LYS 583 N 2.16 2.46 0.00 1.70 5.02 -1.26 -2.60 118.16 125.64 1p81 n LYS 583 Ca -0.09 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1p81 n LYS 583 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1p81 n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1p81 n LYS 584 N -0.56 0.00 -3.34 1.97 2.85 -1.26 -4.68 118.16 113.13 1p81 n LYS 584 Ca 0.12 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.28 1p81 n LYS 584 Cb 0.54 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.85 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 0.46 0.55 -5.58 3.68 -1.26 -5.00 116.67 109.51 1p81 s ASP 585 Ca 0.00 -0.11 0.37 0.00 2.13 0.00 0.00 52.55 54.94 1p81 s ASP 585 Cb 0.00 1.04 1.99 0.00 -1.45 0.00 0.00 42.92 44.50 1p81 s ASP 585 CO 0.00 -0.33 2.12 -0.65 0.13 0.00 0.00 175.17 176.44 1p81 h PRO 586 N 8.18 0.00 0.00 4.34 0.11 -1.98 -1.59 132.00 141.06 1p81 h PRO 586 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1p81 h PRO 586 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1p81 h PRO 586 CO 0.28 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.94 1p81 n SER 587 N -2.79 0.27 0.05 -2.05 3.41 -1.26 -2.30 113.62 108.96 1p81 n SER 587 Ca -0.02 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 1p81 n SER 587 Cb 0.07 -0.64 0.25 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.83 0.63 -4.85 1.04 4.77 -0.60 -4.87 117.00 111.29 1p81 n LEU 588 Ca 0.01 0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.91 1p81 n LEU 588 Cb 0.12 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1p81 n LEU 588 CO 0.11 -0.04 0.35 -0.55 -1.33 0.00 0.00 177.39 175.94 1p81 s SER 589 N -3.96 6.80 0.11 -1.43 0.15 -0.97 -4.91 113.70 109.49 1p81 s SER 589 Ca 0.08 1.20 -0.09 0.00 0.70 0.00 0.00 55.95 57.84 1p81 s SER 589 Cb 0.14 -2.34 -0.14 0.00 -1.71 0.00 0.00 66.02 61.98 1p81 s SER 589 CO 0.69 -0.09 1.28 -0.07 1.20 0.00 0.00 173.24 176.25 1p81 h LEU 590 N 2.71 0.74 -0.43 3.45 3.38 -1.89 -3.39 115.31 119.87 1p81 h LEU 590 Ca -0.48 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 56.94 1p81 h LEU 590 Cb 1.18 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1p81 h LEU 590 CO 0.66 1.35 -0.07 -1.22 0.09 0.00 0.00 178.44 179.25 1p81 n TYR 591 N -3.83 0.00 -0.32 1.13 4.01 -1.26 -4.73 117.16 112.15 1p81 n TYR 591 Ca -0.08 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.67 1p81 n TYR 591 Cb 0.82 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 40.00 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 0.43 1.23 -3.11 -0.72 0.00 -1.86 -3.26 119.26 111.96 1p81 h ALA 592 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.19 1p81 h ALA 592 Cb 0.08 -0.25 -0.34 0.00 0.00 0.00 0.00 17.79 17.28 1p81 h ALA 592 CO 0.00 0.32 -0.37 0.42 0.00 0.00 0.00 179.25 179.62 1p81 s ILE 593 N -6.06 3.77 0.05 0.00 1.01 -1.26 -5.07 121.20 113.65 1p81 s ILE 593 Ca -0.13 -2.72 -0.37 0.00 0.00 0.00 0.00 60.65 57.44 1p81 s ILE 593 Cb 0.19 -3.47 -0.19 0.00 0.01 0.00 0.00 42.46 39.00 1p81 s ILE 593 CO 0.80 -0.85 1.01 -2.65 0.00 0.00 0.00 174.94 173.24 1p81 n PRO 594 N 3.78 0.19 -2.47 2.79 -0.02 -1.23 -4.89 135.00 133.14 1p81 n PRO 594 Ca 0.06 0.07 -0.01 0.00 -2.02 0.00 0.00 63.50 61.59 1p81 n PRO 594 Cb 0.39 -1.49 0.07 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.71 0.06 -4.72 2.55 3.85 -1.26 -5.11 116.55 113.63 1p81 n ASP 595 Ca 0.19 -2.10 -0.41 0.00 -0.71 0.00 0.00 54.79 51.76 1p81 n ASP 595 Cb 0.13 0.08 -0.04 0.00 -1.35 0.00 0.00 41.12 39.94 1p81 n ASP 595 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1p81 s GLY 596 N -2.31 2.87 -0.09 6.12 0.00 -1.25 -4.01 107.32 108.65 1p81 s GLY 596 Ca 0.18 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.39 1p81 s GLY 596 CO -0.08 1.51 -0.17 -0.35 0.00 0.00 0.00 173.10 174.00 1p81 s ASP 597 N 0.67 3.72 0.05 1.64 3.68 -1.25 -4.84 116.67 120.34 1p81 s ASP 597 Ca 0.47 -0.36 0.23 0.00 2.13 0.00 0.00 52.55 55.02 1p81 s ASP 597 Cb -0.21 -1.26 0.03 0.00 -1.45 0.00 0.00 42.92 40.03 1p81 s ASP 597 CO 0.26 0.22 1.01 1.33 0.13 0.00 0.00 175.17 178.12 1p81 n VAL 598 N 3.13 0.18 -1.70 1.11 0.24 -1.26 -4.87 118.33 115.17 1p81 n VAL 598 Ca -0.18 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.34 61.42 1p81 n VAL 598 Cb 0.52 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 1p81 n VAL 598 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1p81 n LYS 599 N -2.01 2.62 0.00 7.34 4.81 -1.25 -1.63 118.16 128.04 1p81 n LYS 599 Ca 0.02 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1p81 n LYS 599 Cb 0.45 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1p81 n LYS 599 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p81 n GLY 600 N 3.93 0.85 3.89 3.14 0.00 -0.49 -4.98 105.19 111.53 1p81 n GLY 600 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.88 2.52 0.04 1.61 1.81 -0.64 -4.79 118.95 118.61 1p81 s ARG 601 Ca 0.00 0.34 0.04 0.00 -1.72 0.00 0.00 55.73 54.40 1p81 s ARG 601 Cb 0.00 -1.99 -0.02 0.00 -0.45 0.00 0.00 34.95 32.49 1p81 s ARG 601 CO 0.00 -1.25 -0.13 0.08 -0.68 0.00 0.00 175.30 173.31 1p81 s VAL 602 N -3.43 1.04 -0.06 3.52 1.01 -1.26 -1.05 120.40 120.16 1p81 s VAL 602 Ca 0.60 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1p81 s VAL 602 Cb -0.11 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1p81 s VAL 602 CO 0.51 -0.01 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 1p81 s VAL 603 N -0.85 1.93 0.03 2.92 1.01 -0.08 -0.06 120.40 125.31 1p81 s VAL 603 Ca 0.01 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1p81 s VAL 603 Cb -0.08 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1p81 s VAL 603 CO 0.01 0.54 0.63 0.00 0.00 0.00 0.00 175.10 176.28 1p81 s ALA 604 N -0.06 3.48 -0.26 5.51 0.00 -0.39 -1.55 121.76 128.49 1p81 s ALA 604 Ca -0.05 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.03 1p81 s ALA 604 Cb -0.14 -2.78 0.06 0.00 0.00 0.00 0.00 23.12 20.26 1p81 s ALA 604 CO 0.04 0.20 -0.09 0.42 0.00 0.00 0.00 175.76 176.32 1p81 s ILE 605 N -0.38 2.07 -0.42 0.00 1.01 -0.74 -0.85 121.20 121.88 1p81 s ILE 605 Ca 0.32 -1.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.10 1p81 s ILE 605 Cb -0.19 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1p81 s ILE 605 CO 0.19 -0.07 1.01 -0.76 0.00 0.00 0.00 174.94 175.31 1p81 s LEU 606 N 1.14 3.88 0.66 2.97 1.02 -0.66 -1.80 118.68 125.89 1p81 s LEU 606 Ca -0.08 0.47 -0.09 0.00 0.02 0.00 0.00 54.13 54.46 1p81 s LEU 606 Cb -0.20 -3.37 0.02 0.00 0.02 0.00 0.00 46.19 42.66 1p81 s LEU 606 CO -0.05 -1.04 1.02 -0.76 0.02 0.00 0.00 176.35 175.53 1p81 s LEU 607 N 3.89 3.01 0.00 1.79 1.43 -0.02 -4.28 118.68 124.50 1p81 s LEU 607 Ca 0.42 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 1p81 s LEU 607 Cb -0.10 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1p81 s LEU 607 CO 0.25 -1.27 0.15 -0.46 0.23 0.00 0.00 176.35 175.25 1p81 n ASN 608 N -2.84 0.83 -0.05 2.29 0.23 -1.26 -4.79 115.26 109.66 1p81 n ASN 608 Ca 0.06 -2.89 0.14 0.00 -0.53 0.00 0.00 54.58 51.36 1p81 n ASN 608 Cb 0.58 1.01 0.83 0.00 -2.08 0.00 0.00 39.78 40.11 1p81 n ASN 608 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1p81 n ASP 609 N -1.65 0.17 -2.79 0.53 3.85 -1.26 -3.91 116.55 111.49 1p81 n ASP 609 Ca -0.03 -1.14 -0.10 0.00 -0.71 0.00 0.00 54.79 52.81 1p81 n ASP 609 Cb 0.53 -0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.36 1p81 n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1p81 n GLU 610 N -0.83 1.10 -1.56 0.11 4.07 -1.26 -4.42 120.64 117.85 1p81 n GLU 610 Ca 0.22 -2.58 -0.41 0.00 -0.06 0.00 0.00 57.16 54.33 1p81 n GLU 610 Cb 0.13 -0.94 0.01 0.00 -0.06 0.00 0.00 31.44 30.59 1p81 n GLU 610 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1p81 n VAL 611 N -0.06 2.36 -2.44 6.31 0.31 -1.25 -2.71 118.33 120.84 1p81 n VAL 611 Ca 0.08 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 1p81 n VAL 611 Cb 0.77 -0.95 -0.03 0.00 -0.91 0.00 0.00 33.84 32.73 1p81 n VAL 611 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1p81 s ARG 612 N -1.95 3.28 0.34 5.55 6.06 -0.77 -0.19 118.95 131.27 1p81 s ARG 612 Ca 0.65 0.27 0.06 0.00 -2.50 0.00 0.00 55.73 54.21 1p81 s ARG 612 Cb -0.56 -4.13 0.73 0.00 0.06 0.00 0.00 34.95 31.05 1p81 s ARG 612 CO 0.56 -1.98 1.89 0.66 -2.50 0.00 0.00 175.30 173.93 1p81 h SER 613 N 10.75 0.73 -0.43 -2.12 4.64 -1.91 -1.58 113.55 123.63 1p81 h SER 613 Ca -0.27 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1p81 h SER 613 Cb 1.08 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1p81 h SER 613 CO 1.20 0.41 0.28 0.00 -0.87 0.00 0.00 176.83 177.85 1p81 h ALA 614 N 1.58 1.67 -0.26 5.18 0.00 -2.00 -1.42 119.26 124.01 1p81 h ALA 614 Ca 0.42 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1p81 h ALA 614 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1p81 h ALA 614 CO -0.18 0.30 -0.27 -0.44 0.00 0.00 0.00 179.25 178.66 1p81 h ASP 615 N 0.59 0.69 -0.41 0.00 3.45 -1.64 -3.03 116.42 116.08 1p81 h ASP 615 Ca 0.16 -0.48 -0.05 0.00 0.43 0.00 0.00 57.03 57.10 1p81 h ASP 615 Cb -0.05 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.50 1p81 h ASP 615 CO -0.03 1.03 0.11 0.25 -1.57 0.00 0.00 179.24 179.02 1p81 h LEU 616 N 0.37 0.67 -0.29 1.55 6.46 -1.42 -0.34 115.31 122.31 1p81 h LEU 616 Ca 0.04 -0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.58 1p81 h LEU 616 Cb 0.84 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1p81 h LEU 616 CO 0.07 0.67 -0.23 0.25 -0.62 0.00 0.00 178.44 178.57 1p81 h LEU 617 N 0.70 0.71 -0.62 2.25 5.85 -1.34 -2.08 115.31 120.78 1p81 h LEU 617 Ca 0.16 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1p81 h LEU 617 Cb 0.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1p81 h LEU 617 CO -0.00 1.01 0.21 0.00 -0.34 0.00 0.00 178.44 179.32 1p81 h ALA 618 N 0.72 0.82 0.14 1.25 0.00 -1.32 -1.69 119.26 119.18 1p81 h ALA 618 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1p81 h ALA 618 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1p81 h ALA 618 CO 0.06 0.47 -0.07 0.82 0.00 0.00 0.00 179.25 180.53 1p81 h ILE 619 N 0.89 0.87 -0.16 0.00 2.04 -0.98 -2.61 117.51 117.56 1p81 h ILE 619 Ca 0.20 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.94 1p81 h ILE 619 Cb 0.27 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1p81 h ILE 619 CO -0.01 0.01 -0.30 -0.07 0.00 0.00 0.00 178.15 177.79 1p81 h LEU 620 N -0.21 0.30 -0.30 1.44 3.38 -1.33 -0.95 115.31 117.64 1p81 h LEU 620 Ca -0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1p81 h LEU 620 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1p81 h LEU 620 CO 0.03 0.60 -0.00 0.50 0.09 0.00 0.00 178.44 179.66 1p81 h LYS 621 N 0.27 0.54 -0.38 1.13 3.64 -1.32 0.11 116.57 120.55 1p81 h LYS 621 Ca 0.04 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 1p81 h LYS 621 Cb 0.66 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1p81 h LYS 621 CO 0.05 0.68 -0.18 0.00 -2.27 0.00 0.00 179.45 177.73 1p81 h ALA 622 N 0.84 0.54 -0.39 5.00 0.00 -1.22 -2.24 119.26 121.79 1p81 h ALA 622 Ca 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1p81 h ALA 622 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1p81 h ALA 622 CO 0.02 0.48 0.14 -0.07 0.00 0.00 0.00 179.25 179.82 1p81 h LEU 623 N 0.60 0.55 -0.83 0.00 3.38 -1.13 -3.03 115.31 114.85 1p81 h LEU 623 Ca 0.09 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1p81 h LEU 623 Cb 0.73 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1p81 h LEU 623 CO 0.06 0.58 0.53 0.50 0.09 0.00 0.00 178.44 180.20 1p81 h LYS 624 N 0.48 0.99 0.00 1.13 3.64 -0.68 -1.52 116.57 120.62 1p81 h LYS 624 Ca 0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1p81 h LYS 624 Cb 0.21 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1p81 h LYS 624 CO -0.01 0.66 -0.00 0.00 -2.27 0.00 0.00 179.45 177.83 1p81 h ALA 625 N 1.35 1.83 -0.14 5.00 0.00 -1.32 -1.49 119.26 124.49 1p81 h ALA 625 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1p81 h ALA 625 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1p81 h ALA 625 CO -0.12 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.76 1p81 n LYS 626 N -4.30 2.34 -1.20 0.00 4.76 -0.78 -4.97 118.16 114.01 1p81 n LYS 626 Ca -0.03 -1.97 -0.05 0.00 -2.87 0.00 0.00 58.31 53.39 1p81 n LYS 626 Cb 0.09 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.38 0.74 3.75 0.72 0.00 -0.56 -3.84 105.19 107.39 1p81 n GLY 627 Ca 0.16 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.19 5.06 0.60 1.61 1.01 -0.64 -1.40 120.40 124.45 1p81 s VAL 628 Ca 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 1p81 s VAL 628 Cb 0.00 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1p81 s VAL 628 CO 0.00 0.39 0.89 -1.00 0.00 0.00 0.00 175.10 175.38 1p81 s HIS 629 N 0.12 3.07 0.04 5.22 3.76 -0.22 -4.20 115.29 123.08 1p81 s HIS 629 Ca 0.28 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.62 1p81 s HIS 629 Cb -0.17 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1p81 s HIS 629 CO 0.14 -0.97 -0.05 0.00 -0.85 0.00 0.00 174.74 173.01 1p81 s ALA 630 N -2.99 0.37 -0.09 -1.40 0.00 -1.26 -0.90 121.76 115.48 1p81 s ALA 630 Ca 0.56 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1p81 s ALA 630 Cb -0.10 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1p81 s ALA 630 CO 0.43 -0.14 0.01 -1.59 0.00 0.00 0.00 175.76 174.47 1p81 s LYS 631 N -1.93 0.58 -0.25 0.00 -2.85 -0.60 -4.92 119.74 109.78 1p81 s LYS 631 Ca -0.10 0.02 -0.25 0.00 -1.00 0.00 0.00 55.97 54.64 1p81 s LYS 631 Cb -0.07 -1.18 -0.00 0.00 -2.06 0.00 0.00 37.83 34.52 1p81 s LYS 631 CO -0.02 -0.37 0.87 -0.51 0.10 0.00 0.00 175.35 175.42 1p81 s LEU 632 N 1.96 4.08 0.09 2.77 1.43 -1.26 -1.80 118.68 125.95 1p81 s LEU 632 Ca 0.04 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 1p81 s LEU 632 Cb -0.13 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1p81 s LEU 632 CO -0.06 -0.56 -0.13 -0.76 0.23 0.00 0.00 176.35 175.07 1p81 s LEU 633 N 2.94 2.92 0.00 1.79 1.02 -0.74 -0.23 118.68 126.38 1p81 s LEU 633 Ca 0.36 -0.41 -0.00 0.00 0.02 0.00 0.00 54.13 54.10 1p81 s LEU 633 Cb -0.15 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.34 1p81 s LEU 633 CO 0.08 0.20 0.05 0.00 0.02 0.00 0.00 176.35 176.70 1p81 n TYR 634 N 0.90 -0.55 1.37 0.29 9.36 -1.03 -0.84 117.16 126.66 1p81 n TYR 634 Ca -0.14 -0.26 0.14 0.00 3.32 0.00 0.00 57.90 60.95 1p81 n TYR 634 Cb 0.52 0.06 0.47 0.00 -0.63 0.00 0.00 39.34 39.76 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 -2.07 1.14 -3.80 2.98 3.41 -1.26 -1.50 113.62 112.52 1p81 n SER 635 Ca 0.00 -1.10 -0.09 0.00 -0.26 0.00 0.00 58.87 57.42 1p81 n SER 635 Cb 0.07 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.29 1.45 0.92 4.33 1.70 -1.26 -4.88 118.95 118.92 1p81 s ARG 636 Ca 0.31 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 54.50 1p81 s ARG 636 Cb 0.20 0.52 0.20 0.00 -0.57 0.00 0.00 34.95 35.30 1p81 s ARG 636 CO 0.44 -0.62 1.25 -1.64 -1.08 0.00 0.00 175.30 173.65 1p81 s MET 637 N -3.91 0.72 0.00 3.89 -1.94 -1.26 -4.76 119.30 112.04 1p81 s MET 637 Ca 0.12 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 1p81 s MET 637 Cb -0.01 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.84 1p81 s MET 637 CO 0.00 -2.27 0.00 0.41 -0.01 0.00 0.00 175.02 173.15 1p81 n GLY 638 N -3.55 0.79 3.30 -0.03 0.00 -1.26 -4.99 105.19 99.44 1p81 n GLY 638 Ca 0.17 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 1.02 0.17 1.61 -1.05 -1.26 -1.45 118.70 117.74 1p81 s GLU 639 Ca 0.00 -0.74 0.07 0.00 -0.15 0.00 0.00 54.97 54.15 1p81 s GLU 639 Cb 0.00 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1p81 s GLU 639 CO 0.00 -0.39 -0.14 0.14 0.95 0.00 0.00 175.26 175.82 1p81 s VAL 640 N -3.77 1.52 -0.16 1.83 -7.23 0.04 -4.94 120.40 107.69 1p81 s VAL 640 Ca 0.03 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1p81 s VAL 640 Cb 0.02 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1p81 s VAL 640 CO -0.12 -0.55 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.18 1p81 s THR 641 N -2.72 3.58 0.94 5.32 2.01 -1.26 0.75 115.64 124.26 1p81 s THR 641 Ca 0.17 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 1p81 s THR 641 Cb -0.02 -2.57 0.23 0.00 0.01 0.00 0.00 72.50 70.16 1p81 s THR 641 CO 0.04 0.48 0.87 0.00 -0.69 0.00 0.00 174.62 175.33 1p81 n ALA 642 N 3.82 -2.55 0.23 7.40 0.00 0.11 -4.20 120.51 125.31 1p81 n ALA 642 Ca -0.18 -1.28 -0.15 0.00 0.00 0.00 0.00 53.44 51.83 1p81 n ALA 642 Cb 0.52 -0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1p81 n ALA 642 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1p81 h ASP 643 N -2.27 -0.46 0.00 0.00 3.04 -0.78 -2.74 116.42 113.22 1p81 h ASP 643 Ca -0.32 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1p81 h ASP 643 Cb 0.98 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 1p81 h ASP 643 CO 0.21 -0.28 0.00 -0.90 -2.04 0.00 0.00 179.24 176.23 1p81 n ASP 644 N -5.30 0.17 0.00 4.15 3.85 -1.26 -4.74 116.55 113.42 1p81 n ASP 644 Ca -0.11 -1.20 0.00 0.00 -0.71 0.00 0.00 54.79 52.77 1p81 n ASP 644 Cb 0.24 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 1p81 n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1p81 n GLY 645 N 0.13 0.81 3.73 6.12 0.00 -1.03 -5.02 105.19 109.92 1p81 n GLY 645 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1p81 n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p81 s THR 646 N -3.12 2.81 -0.16 2.61 2.01 -1.26 -4.67 115.64 113.86 1p81 s THR 646 Ca 0.00 0.61 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 1p81 s THR 646 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1p81 s THR 646 CO 0.00 0.06 0.65 -0.69 -0.69 0.00 0.00 174.62 173.96 1p81 s VAL 647 N 0.75 5.03 -0.33 3.82 1.01 -1.26 0.07 120.40 129.48 1p81 s VAL 647 Ca 0.65 1.27 -0.05 0.00 0.00 0.00 0.00 61.98 63.85 1p81 s VAL 647 Cb -0.41 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1p81 s VAL 647 CO 0.35 0.15 0.07 -0.76 0.00 0.00 0.00 175.10 174.91 1p81 s LEU 648 N 1.60 4.20 0.06 3.92 1.02 0.23 -4.97 118.68 124.75 1p81 s LEU 648 Ca 0.31 -1.21 -0.31 0.00 0.02 0.00 0.00 54.13 52.95 1p81 s LEU 648 Cb -0.16 -1.82 -0.06 0.00 0.02 0.00 0.00 46.19 44.17 1p81 s LEU 648 CO 0.12 -0.31 1.25 -2.16 0.02 0.00 0.00 176.35 175.27 1p81 s PRO 649 N 1.35 4.40 -0.14 1.29 0.04 -1.26 -0.78 135.00 139.89 1p81 s PRO 649 Ca -0.03 1.84 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1p81 s PRO 649 Cb -0.20 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 1p81 s PRO 649 CO 0.01 -0.32 0.72 0.42 0.04 0.00 0.00 177.00 177.87 1p81 s ILE 650 N 1.21 4.99 0.03 0.56 1.01 -0.53 -4.75 121.20 123.72 1p81 s ILE 650 Ca 0.60 1.42 -0.15 0.00 0.00 0.00 0.00 60.65 62.53 1p81 s ILE 650 Cb -0.31 -4.04 -0.35 0.00 0.01 0.00 0.00 42.46 37.77 1p81 s ILE 650 CO 0.29 0.14 1.00 0.00 0.00 0.00 0.00 174.94 176.37 1p81 h ALA 651 N 7.16 -0.13 -2.84 9.38 0.00 -0.94 -3.41 119.26 128.48 1p81 h ALA 651 Ca -0.34 -0.87 0.08 0.00 0.00 0.00 0.00 54.91 53.78 1p81 h ALA 651 Cb 1.16 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1p81 h ALA 651 CO 0.79 0.73 0.31 0.00 0.00 0.00 0.00 179.25 181.08 1p81 s ALA 652 N -2.60 -1.24 0.53 0.00 0.00 -1.21 -5.03 121.76 112.20 1p81 s ALA 652 Ca -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1p81 s ALA 652 Cb 0.04 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1p81 s ALA 652 CO 0.94 -1.03 0.80 0.95 0.00 0.00 0.00 175.76 177.41 1p81 s THR 653 N -3.39 3.70 0.24 0.00 -4.23 -1.26 -2.45 115.64 108.25 1p81 s THR 653 Ca 0.13 -0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1p81 s THR 653 Cb -0.05 -3.42 0.21 0.00 1.34 0.00 0.00 72.50 70.58 1p81 s THR 653 CO 0.07 -0.37 1.82 -0.26 -0.54 0.00 0.00 174.62 175.34 1p81 h PHE 654 N 0.08 0.88 -0.01 3.99 0.05 -1.58 -1.96 116.94 118.38 1p81 h PHE 654 Ca -0.45 0.03 -0.17 0.00 3.82 0.00 0.00 57.97 61.20 1p81 h PHE 654 Cb 1.26 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.92 1p81 h PHE 654 CO 0.45 0.38 -0.77 0.00 -0.18 0.00 0.00 178.31 178.19 1p81 h ALA 655 N 1.44 0.71 0.00 2.45 0.00 -1.91 -3.28 119.26 118.67 1p81 h ALA 655 Ca 0.39 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1p81 h ALA 655 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1p81 h ALA 655 CO -0.23 0.92 -0.16 0.78 0.00 0.00 0.00 179.25 180.56 1p81 h GLY 656 N 2.09 0.00 -6.12 0.00 0.00 -1.75 -3.36 103.07 93.93 1p81 h GLY 656 Ca -0.02 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 1p81 h GLY 656 CO 0.11 0.00 -0.94 0.00 0.00 0.00 0.00 176.54 175.71 1p81 n ALA 657 N -2.17 2.17 -0.64 3.60 0.00 -0.85 -4.85 120.51 117.78 1p81 n ALA 657 Ca 0.01 -2.88 -0.30 0.00 0.00 0.00 0.00 53.44 50.27 1p81 n ALA 657 Cb 0.45 -0.86 0.20 0.00 0.00 0.00 0.00 19.45 19.25 1p81 n ALA 657 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1p81 s PRO 658 N -0.04 0.25 0.54 0.00 0.02 -1.24 -4.82 135.00 129.71 1p81 s PRO 658 Ca 0.33 1.27 0.22 0.00 0.02 0.00 0.00 61.00 62.85 1p81 s PRO 658 Cb 0.06 -1.66 1.43 0.00 0.02 0.00 0.00 34.50 34.36 1p81 s PRO 658 CO -0.17 -3.07 2.11 0.66 -0.33 0.00 0.00 177.00 176.20 1p81 h SER 659 N -2.17 0.00 -1.20 2.53 4.64 -1.85 -1.67 113.55 113.82 1p81 h SER 659 Ca -0.50 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.16 1p81 h SER 659 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.31 1p81 h SER 659 CO 0.45 0.00 0.83 -0.07 -0.87 0.00 0.00 176.83 177.17 1p81 h LEU 660 N 0.00 0.16 -0.73 5.97 4.07 -1.95 -1.92 115.31 120.92 1p81 h LEU 660 Ca 0.09 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1p81 h LEU 660 Cb 0.38 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1p81 h LEU 660 CO -0.00 0.01 -0.14 0.35 -1.08 0.00 0.00 178.44 177.58 1p81 n THR 661 N -4.36 0.00 -4.60 0.22 -2.24 -0.63 -4.93 114.28 97.74 1p81 n THR 661 Ca 0.28 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.60 1p81 n THR 661 Cb 1.20 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 69.79 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 -2.27 1.60 -0.34 2.28 -7.23 -0.72 -4.94 120.40 108.78 1p81 s VAL 662 Ca 0.31 -2.00 0.21 0.00 -1.81 0.00 0.00 61.98 58.68 1p81 s VAL 662 Cb 0.20 -2.77 -0.29 0.00 0.56 0.00 0.00 36.38 34.08 1p81 s VAL 662 CO 0.43 0.00 0.59 0.47 -0.31 0.00 0.00 175.10 176.29 1p81 n ASP 663 N -0.98 0.47 -3.63 4.85 9.92 0.92 -4.99 116.55 123.11 1p81 n ASP 663 Ca -0.07 -0.33 -0.09 0.00 -0.53 0.00 0.00 54.79 53.77 1p81 n ASP 663 Cb 0.67 1.64 -0.02 0.00 -0.64 0.00 0.00 41.12 42.76 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 -3.27 -1.43 -0.03 2.24 0.00 -1.19 -4.21 121.76 113.87 1p81 s ALA 664 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1p81 s ALA 664 Cb 0.14 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.13 1p81 s ALA 664 CO 0.86 -0.90 -0.07 0.08 0.00 0.00 0.00 175.76 175.73 1p81 s VAL 665 N -3.80 0.68 -0.06 0.00 1.01 -0.92 -1.26 120.40 116.04 1p81 s VAL 665 Ca 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1p81 s VAL 665 Cb -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1p81 s VAL 665 CO -0.03 0.23 -0.13 -0.63 0.00 0.00 0.00 175.10 174.53 1p81 s ILE 666 N 0.41 1.22 -0.28 2.22 1.01 -0.03 -0.47 121.20 125.28 1p81 s ILE 666 Ca -0.06 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1p81 s ILE 666 Cb -0.10 -1.10 0.06 0.00 0.01 0.00 0.00 42.46 41.33 1p81 s ILE 666 CO 0.01 0.37 -0.07 -0.69 0.00 0.00 0.00 174.94 174.55 1p81 s VAL 667 N 0.56 2.32 0.69 2.92 1.01 -0.42 -1.65 120.40 125.83 1p81 s VAL 667 Ca -0.13 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.05 1p81 s VAL 667 Cb -0.15 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1p81 s VAL 667 CO 0.04 -0.11 1.08 -2.16 0.00 0.00 0.00 175.10 173.94 1p81 s PRO 668 N 1.10 2.96 0.00 2.72 0.04 -1.26 -1.93 135.00 138.63 1p81 s PRO 668 Ca -0.06 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1p81 s PRO 668 Cb -0.20 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1p81 s PRO 668 CO -0.05 -0.99 0.00 0.00 0.04 0.00 0.00 177.00 176.00 1p81 n GLY 670 N 3.55 0.34 3.43 0.00 0.00 -1.26 -1.84 105.19 109.42 1p81 n GLY 670 Ca 0.00 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 1p81 n GLY 670 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p81 n ASN 671 N 0.00 5.04 0.27 1.61 4.05 -1.10 -4.81 115.26 120.32 1p81 n ASN 671 Ca 0.00 -2.96 0.18 0.00 0.45 0.00 0.00 54.58 52.25 1p81 n ASN 671 Cb 0.00 -1.64 0.95 0.00 1.23 0.00 0.00 39.78 40.32 1p81 n ASN 671 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1p81 h ILE 672 N 4.91 0.00 0.00 -1.44 1.08 -1.91 -1.67 117.51 118.48 1p81 h ILE 672 Ca 0.39 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.79 1p81 h ILE 672 Cb 0.84 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1p81 h ILE 672 CO 1.39 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 178.74 1p81 h ALA 673 N 2.01 1.20 -0.87 1.87 0.00 -1.96 0.85 119.26 122.36 1p81 h ALA 673 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1p81 h ALA 673 Cb 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1p81 h ALA 673 CO 0.00 0.14 0.45 0.22 0.00 0.00 0.00 179.25 180.06 1p81 h ASP 674 N 0.00 1.11 -0.00 0.00 -0.00 -1.72 -3.29 116.42 112.52 1p81 h ASP 674 Ca -0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.03 56.91 1p81 h ASP 674 Cb 0.37 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.42 1p81 h ASP 674 CO 0.01 0.91 -0.16 2.30 -0.00 0.00 0.00 179.24 182.31 1p81 n ILE 675 N -4.33 0.00 -0.34 2.25 -5.35 -0.96 -4.69 119.36 105.95 1p81 n ILE 675 Ca 0.09 -0.42 0.17 0.00 -0.27 0.00 0.00 62.75 62.32 1p81 n ILE 675 Cb 0.12 1.05 0.40 0.00 -1.74 0.00 0.00 39.64 39.47 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 0.98 1.87 -0.29 -1.28 0.00 -0.91 0.16 119.26 119.80 1p81 h ALA 676 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1p81 h ALA 676 Cb 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1p81 h ALA 676 CO 0.00 -0.28 -0.00 -0.25 0.00 0.00 0.00 179.25 178.72 1p81 n ASP 677 N -4.75 3.54 -4.65 0.00 9.92 -1.26 -4.88 116.55 114.47 1p81 n ASP 677 Ca 0.25 -3.20 -0.43 0.00 -0.53 0.00 0.00 54.79 50.88 1p81 n ASP 677 Cb 0.70 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.59 1p81 n ASP 677 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1p81 s ASN 678 N -2.08 7.00 0.19 -2.24 3.84 0.55 -4.94 114.94 117.27 1p81 s ASN 678 Ca 0.43 1.21 -0.11 0.00 0.21 0.00 0.00 52.86 54.59 1p81 s ASN 678 Cb 0.36 -2.52 0.18 0.00 -0.55 0.00 0.00 41.25 38.72 1p81 s ASN 678 CO 0.07 -0.70 1.80 1.23 -2.79 0.00 0.00 177.10 176.70 1p81 h GLY 679 N 9.58 0.83 1.31 1.21 0.00 -1.92 -1.58 103.07 112.50 1p81 h GLY 679 Ca -0.20 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1p81 h GLY 679 CO 0.97 0.14 -0.08 -0.55 0.00 0.00 0.00 176.54 177.03 1p81 h ASP 680 N 0.59 0.81 0.02 0.19 5.19 -1.95 -0.04 116.42 121.23 1p81 h ASP 680 Ca 0.26 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1p81 h ASP 680 Cb 0.14 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1p81 h ASP 680 CO -0.16 0.92 -0.01 0.00 -3.12 0.00 0.00 179.24 176.86 1p81 h ALA 681 N 1.16 -0.03 -0.60 3.45 0.00 -1.69 0.38 119.26 121.93 1p81 h ALA 681 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1p81 h ALA 681 Cb 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1p81 h ALA 681 CO 0.03 -0.49 0.33 -0.91 0.00 0.00 0.00 179.25 178.21 1p81 h ASN 682 N -0.08 0.74 -0.23 0.00 2.35 -1.20 -2.63 115.58 114.54 1p81 h ASN 682 Ca -0.00 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1p81 h ASN 682 Cb 0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1p81 h ASN 682 CO 0.00 0.61 -0.08 0.22 -1.65 0.00 0.00 177.43 176.54 1p81 h TYR 683 N 0.81 0.63 -0.64 1.19 5.03 -0.87 -1.83 116.97 121.29 1p81 h TYR 683 Ca 0.21 -0.09 0.13 0.00 2.58 0.00 0.00 58.73 61.56 1p81 h TYR 683 Cb 0.03 -0.17 -0.11 0.00 1.55 0.00 0.00 36.73 38.04 1p81 h TYR 683 CO -0.01 0.66 0.02 -0.92 -1.32 0.00 0.00 178.16 176.58 1p81 h TYR 684 N 0.55 -0.01 -0.15 -3.82 5.03 -0.54 0.10 116.97 118.13 1p81 h TYR 684 Ca 0.11 0.05 -0.21 0.00 2.58 0.00 0.00 58.73 61.26 1p81 h TYR 684 Cb 0.47 0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1p81 h TYR 684 CO 0.02 -0.16 -0.73 -0.07 -1.32 0.00 0.00 178.16 175.90 1p81 h LEU 685 N 0.13 0.81 -0.64 2.82 4.07 -1.30 -2.53 115.31 118.67 1p81 h LEU 685 Ca 0.34 -0.51 -0.09 0.00 0.08 0.00 0.00 57.88 57.69 1p81 h LEU 685 Cb 0.55 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1p81 h LEU 685 CO -0.53 1.29 0.02 0.24 -1.08 0.00 0.00 178.44 178.38 1p81 h MET 686 N 0.48 1.09 -0.07 1.13 2.86 -0.58 0.12 114.93 119.96 1p81 h MET 686 Ca -0.04 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1p81 h MET 686 Cb 1.34 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.89 1p81 h MET 686 CO 0.14 1.04 0.02 1.49 1.06 0.00 0.00 176.91 180.67 1p81 h GLU 687 N 1.00 0.11 -1.00 1.72 4.81 -0.87 0.29 114.58 120.63 1p81 h GLU 687 Ca 0.18 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1p81 h GLU 687 Cb 0.54 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 1p81 h GLU 687 CO 0.03 0.29 0.66 0.00 -0.73 0.00 0.00 179.01 179.25 1p81 h ALA 688 N 0.81 1.32 -0.23 2.92 0.00 -1.29 -1.28 119.26 121.52 1p81 h ALA 688 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1p81 h ALA 688 Cb 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1p81 h ALA 688 CO -0.00 0.58 0.00 -0.92 0.00 0.00 0.00 179.25 178.91 1p81 h TYR 689 N 1.29 0.44 -0.78 0.00 3.20 -0.60 -1.00 116.97 119.52 1p81 h TYR 689 Ca 0.39 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.22 1p81 h TYR 689 Cb -0.03 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1p81 h TYR 689 CO -0.00 0.58 0.51 -0.22 -1.64 0.00 0.00 178.16 177.39 1p81 h LYS 690 N 0.17 0.93 -0.49 1.82 3.64 -0.45 -1.46 116.57 120.73 1p81 h LYS 690 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1p81 h LYS 690 Cb 0.40 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1p81 h LYS 690 CO 0.01 0.62 0.00 0.72 -2.27 0.00 0.00 179.45 178.53 1p81 n HIS 691 N -4.45 0.53 -2.00 1.91 8.25 -0.53 -4.89 115.22 114.05 1p81 n HIS 691 Ca 0.10 -0.22 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 1p81 n HIS 691 Cb 0.11 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 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 0.29 -1.38 -4.85 2.41 4.77 -0.55 -4.89 117.00 112.80 1p81 n LEU 692 Ca 0.10 0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 1p81 n LEU 692 Cb 0.38 -1.92 -0.06 0.00 -2.33 0.00 0.00 43.42 39.49 1p81 n LEU 692 CO 0.09 -0.27 0.32 -0.54 -1.33 0.00 0.00 177.39 175.66 1p81 s LYS 693 N -4.18 4.00 0.31 3.23 1.02 -0.40 0.00 119.74 123.72 1p81 s LYS 693 Ca 0.00 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 1p81 s LYS 693 Cb 0.00 -2.72 -0.12 0.00 -0.52 0.00 0.00 37.83 34.47 1p81 s LYS 693 CO 0.00 0.34 1.55 -2.30 -0.92 0.00 0.00 175.35 174.02 1p81 n PRO 694 N 0.26 2.63 -4.84 -1.68 -0.02 -1.26 -4.61 135.00 125.49 1p81 n PRO 694 Ca -0.01 0.93 -0.26 0.00 -2.02 0.00 0.00 63.50 62.15 1p81 n PRO 694 Cb 0.52 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 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 -0.28 1.41 -0.09 4.25 1.01 -1.01 -2.16 121.20 124.33 1p81 s ILE 695 Ca 0.62 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1p81 s ILE 695 Cb -0.50 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1p81 s ILE 695 CO 0.52 0.40 -0.11 0.00 0.00 0.00 0.00 174.94 175.75 1p81 s ALA 696 N -0.17 1.37 -0.13 9.38 0.00 0.37 -0.37 121.76 132.21 1p81 s ALA 696 Ca 0.01 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1p81 s ALA 696 Cb -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1p81 s ALA 696 CO 0.01 -0.11 -0.20 -0.51 0.00 0.00 0.00 175.76 174.95 1p81 s LEU 697 N 1.09 1.97 -0.08 0.00 1.43 0.57 -1.30 118.68 122.37 1p81 s LEU 697 Ca -0.06 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1p81 s LEU 697 Cb -0.14 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1p81 s LEU 697 CO -0.02 0.06 -0.05 0.00 0.23 0.00 0.00 176.35 176.57 1p81 s ALA 698 N 0.89 3.06 0.00 4.21 0.00 -0.82 -3.06 121.76 126.04 1p81 s ALA 698 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1p81 s ALA 698 Cb -0.15 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1p81 s ALA 698 CO -0.02 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1p81 n GLY 699 N 2.24 3.21 0.05 0.00 0.00 -0.39 -1.48 105.19 108.82 1p81 n GLY 699 Ca -0.18 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.72 1p81 n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p81 n ASP 700 N 3.11 0.17 0.24 1.61 10.43 -1.26 -1.43 116.55 129.42 1p81 n ASP 700 Ca 0.00 0.57 0.16 0.00 2.57 0.00 0.00 54.79 58.10 1p81 n ASP 700 Cb 0.00 -0.60 0.78 0.00 1.84 0.00 0.00 41.12 43.14 1p81 n ASP 700 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1p81 h ALA 701 N 2.08 1.00 0.00 2.24 0.00 -1.54 -2.05 119.26 120.98 1p81 h ALA 701 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p81 h ALA 701 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1p81 h ALA 701 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1p81 n ARG 702 N -2.73 0.09 0.26 0.00 1.74 -0.51 -1.10 116.66 114.40 1p81 n ARG 702 Ca -0.01 0.48 0.13 0.00 -0.77 0.00 0.00 57.85 57.69 1p81 n ARG 702 Cb 0.17 -1.74 0.68 0.00 -1.02 0.00 0.00 32.46 30.55 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 1.57 -1.61 -1.85 116.57 120.24 1p81 h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p81 h LYS 703 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1p81 h LYS 703 CO 0.00 0.13 0.00 1.19 -0.57 0.00 0.00 179.45 180.20 1p81 n PHE 704 N -3.49 0.08 0.03 -1.35 3.01 -0.26 -3.12 117.46 112.36 1p81 n PHE 704 Ca -0.01 0.03 0.16 0.00 1.01 0.00 0.00 57.45 58.64 1p81 n PHE 704 Cb 0.29 -0.55 0.63 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.10 -0.20 -1.08 1.57 -1.52 -1.25 116.57 114.20 1p81 h LYS 705 Ca 0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1p81 h LYS 705 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1p81 h LYS 705 CO 0.00 0.07 -0.27 0.00 -0.57 0.00 0.00 179.45 178.68 1p81 h ALA 706 N 1.78 1.18 -0.08 3.86 0.00 -1.77 0.14 119.26 124.36 1p81 h ALA 706 Ca 0.21 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1p81 h ALA 706 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1p81 h ALA 706 CO -0.02 0.53 -0.40 0.00 0.00 0.00 0.00 179.25 179.35 1p81 h THR 707 N 0.33 1.30 -0.46 0.00 1.03 -1.45 -2.87 112.91 110.79 1p81 h THR 707 Ca 0.05 -1.47 -0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1p81 h THR 707 Cb 0.65 1.69 -0.00 0.00 -1.07 0.00 0.00 68.15 69.42 1p81 h THR 707 CO 0.05 0.43 0.00 2.30 -0.01 0.00 0.00 175.52 178.29 1p81 n ILE 708 N -4.04 2.61 -3.71 0.00 -5.35 -1.15 -4.93 119.36 102.79 1p81 n ILE 708 Ca -0.02 -1.60 -0.23 0.00 -0.27 0.00 0.00 62.75 60.64 1p81 n ILE 708 Cb 0.46 -0.27 0.04 0.00 -1.74 0.00 0.00 39.64 38.13 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 0.18 -5.53 -3.55 6.28 4.01 -0.81 -4.97 118.16 113.77 1p81 n LYS 709 Ca 0.26 0.66 -0.37 0.00 -0.51 0.00 0.00 58.31 58.35 1p81 n LYS 709 Cb 1.09 -5.40 -0.06 0.00 -0.51 0.00 0.00 35.03 30.16 1p81 n LYS 709 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1p81 s ILE 710 N -3.51 5.08 0.70 -0.18 -1.09 0.42 -5.02 121.20 117.59 1p81 s ILE 710 Ca 0.21 0.66 -0.11 0.00 -2.23 0.00 0.00 60.65 59.18 1p81 s ILE 710 Cb -0.10 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1p81 s ILE 710 CO 0.80 0.46 1.06 0.00 -1.23 0.00 0.00 174.94 176.03 1p81 s ALA 711 N -1.21 2.69 0.39 9.38 0.00 -1.26 -4.70 121.76 127.05 1p81 s ALA 711 Ca 0.27 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1p81 s ALA 711 Cb -0.15 -3.17 0.84 0.00 0.00 0.00 0.00 23.12 20.64 1p81 s ALA 711 CO 0.15 -1.22 2.00 -0.44 0.00 0.00 0.00 175.76 176.25 1p81 h ASP 712 N -0.72 0.53 0.61 0.00 3.32 -2.00 -0.97 116.42 117.19 1p81 h ASP 712 Ca -0.44 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1p81 h ASP 712 Cb 1.21 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1p81 h ASP 712 CO 0.57 0.36 -0.07 0.06 -1.72 0.00 0.00 179.24 178.44 1p81 h GLN 713 N 0.61 0.00 0.00 3.56 3.07 -2.05 -3.49 115.11 116.81 1p81 h GLN 713 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1p81 h GLN 713 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1p81 h GLN 713 CO -0.07 0.07 0.00 0.41 0.09 0.00 0.00 178.83 179.33 1p81 n GLY 714 N -0.39 1.19 3.26 0.06 0.00 -0.37 -5.07 105.19 103.87 1p81 n GLY 714 Ca -0.01 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 1p81 n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1p81 s GLU 715 N -1.79 0.64 0.21 1.61 -1.05 -1.26 -4.72 118.70 112.34 1p81 s GLU 715 Ca 0.00 -0.03 -0.32 0.00 -0.15 0.00 0.00 54.97 54.48 1p81 s GLU 715 Cb 0.00 0.29 -0.12 0.00 -0.44 0.00 0.00 34.13 33.86 1p81 s GLU 715 CO 0.00 -0.16 1.68 -1.21 0.95 0.00 0.00 175.26 176.52 1p81 s GLU 716 N -1.01 4.14 0.00 -4.83 0.41 -1.26 -1.94 118.70 114.20 1p81 s GLU 716 Ca -0.11 2.57 0.00 0.00 -0.41 0.00 0.00 54.97 57.02 1p81 s GLU 716 Cb -0.04 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 1p81 s GLU 716 CO 0.04 -0.72 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 1p81 n GLY 717 N 3.71 2.46 3.22 -1.39 0.00 -1.26 -4.86 105.19 107.07 1p81 n GLY 717 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.43 3.52 0.01 -0.61 -1.09 -0.82 -2.41 121.20 117.38 1p81 s ILE 718 Ca 0.00 -1.40 -0.25 0.00 -2.23 0.00 0.00 60.65 56.76 1p81 s ILE 718 Cb 0.00 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.73 1p81 s ILE 718 CO 0.00 -0.29 0.79 -0.69 -1.23 0.00 0.00 174.94 173.51 1p81 s VAL 719 N 1.32 4.82 0.02 2.92 1.01 0.50 -4.52 120.40 126.47 1p81 s VAL 719 Ca -0.00 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 1p81 s VAL 719 Cb -0.21 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1p81 s VAL 719 CO 0.00 0.30 0.14 -1.83 0.00 0.00 0.00 175.10 173.72 1p81 s GLU 720 N 0.32 0.57 -0.07 2.72 -1.05 -1.26 -0.32 118.70 119.61 1p81 s GLU 720 Ca 0.40 -0.56 -0.32 0.00 -0.15 0.00 0.00 54.97 54.34 1p81 s GLU 720 Cb -0.20 0.23 0.13 0.00 -0.44 0.00 0.00 34.13 33.86 1p81 s GLU 720 CO 0.23 -0.15 1.38 0.00 0.95 0.00 0.00 175.26 177.67 1p81 s ALA 721 N -2.04 -2.45 0.22 -0.84 0.00 -1.17 -5.01 121.76 110.48 1p81 s ALA 721 Ca -0.09 0.78 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 1p81 s ALA 721 Cb -0.04 0.35 0.22 0.00 0.00 0.00 0.00 23.12 23.65 1p81 s ALA 721 CO -0.02 -1.07 1.62 -0.44 0.00 0.00 0.00 175.76 175.85 1p81 h ASP 722 N 2.00 0.67 -4.98 0.00 3.32 -1.92 -1.03 116.42 114.49 1p81 h ASP 722 Ca -0.31 -0.27 -0.20 0.00 0.02 0.00 0.00 57.03 56.27 1p81 h ASP 722 Cb 1.19 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 1p81 h ASP 722 CO 0.29 0.94 -0.67 -0.94 -1.72 0.00 0.00 179.24 177.15 1p81 s SER 723 N -6.81 0.76 0.00 6.45 1.04 -1.26 -2.52 113.70 111.36 1p81 s SER 723 Ca -0.08 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.22 1p81 s SER 723 Cb 0.13 0.19 -0.10 0.00 0.10 0.00 0.00 66.02 66.33 1p81 s SER 723 CO 0.83 -0.60 2.53 0.00 0.98 0.00 0.00 173.24 176.97 1p81 n ALA 724 N -0.07 4.77 -2.76 5.32 0.00 -1.26 -4.82 120.51 121.69 1p81 n ALA 724 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1p81 n ALA 724 Cb 0.62 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1p81 n ALA 724 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1p81 n ASP 725 N 1.90 1.22 0.00 0.00 -0.08 -1.26 -4.29 116.55 114.04 1p81 n ASP 725 Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1p81 n ASP 725 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 1p81 n ASP 725 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p81 n GLY 726 N 0.00 2.22 1.21 0.27 0.00 -1.26 -2.21 105.19 105.43 1p81 n GLY 726 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1p81 n GLY 726 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p81 n SER 727 N 9.02 3.53 -0.09 1.61 3.41 -1.26 -4.42 113.62 125.43 1p81 n SER 727 Ca 0.00 -1.99 -0.09 0.00 -0.26 0.00 0.00 58.87 56.53 1p81 n SER 727 Cb 0.00 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.52 1p81 n SER 727 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1p81 h PHE 728 N 3.98 0.38 0.00 7.33 3.04 -1.78 -1.56 116.94 128.34 1p81 h PHE 728 Ca 0.00 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1p81 h PHE 728 Cb 0.90 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1p81 h PHE 728 CO 0.41 0.25 -0.85 0.52 -2.02 0.00 0.00 178.31 176.63 1p81 h MET 729 N 0.40 0.10 -0.55 1.11 2.86 -1.83 -2.27 114.93 114.75 1p81 h MET 729 Ca 0.11 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1p81 h MET 729 Cb -0.03 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1p81 h MET 729 CO -0.02 0.88 0.15 -0.44 1.06 0.00 0.00 176.91 178.54 1p81 h ASP 730 N 0.06 0.82 -0.29 1.22 3.32 -1.80 0.02 116.42 119.77 1p81 h ASP 730 Ca -0.03 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 56.85 1p81 h ASP 730 Cb 1.47 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 1p81 h ASP 730 CO 0.12 0.83 0.02 -0.33 -1.72 0.00 0.00 179.24 178.16 1p81 h GLU 731 N 0.77 0.10 -0.59 3.56 5.08 -1.11 -0.71 114.58 121.68 1p81 h GLU 731 Ca 0.17 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1p81 h GLU 731 Cb 0.32 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1p81 h GLU 731 CO -0.00 0.07 0.20 1.25 -1.00 0.00 0.00 179.01 179.52 1p81 h LEU 732 N 0.11 0.84 -1.08 1.33 7.12 -1.05 -1.78 115.31 120.80 1p81 h LEU 732 Ca 0.14 -0.20 -0.08 0.00 0.13 0.00 0.00 57.88 57.86 1p81 h LEU 732 Cb 0.17 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1p81 h LEU 732 CO -0.21 0.82 -0.26 -0.07 -0.13 0.00 0.00 178.44 178.58 1p81 h LEU 733 N 0.82 0.33 -0.38 2.25 -0.00 -0.80 -1.00 115.31 116.53 1p81 h LEU 733 Ca 0.19 -0.10 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 1p81 h LEU 733 Cb 0.26 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1p81 h LEU 733 CO -0.01 0.59 -0.01 0.74 -0.00 0.00 0.00 178.44 179.76 1p81 h THR 734 N 0.29 1.26 -0.51 0.22 2.02 -0.87 0.64 112.91 115.96 1p81 h THR 734 Ca 0.04 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1p81 h THR 734 Cb 0.62 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1p81 h THR 734 CO 0.04 0.34 0.26 -0.07 0.37 0.00 0.00 175.52 176.47 1p81 h LEU 735 N 0.49 0.65 -1.38 2.58 3.38 -0.81 -2.79 115.31 117.43 1p81 h LEU 735 Ca 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1p81 h LEU 735 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1p81 h LEU 735 CO 0.02 0.57 0.41 0.24 0.09 0.00 0.00 178.44 179.78 1p81 h MET 736 N 0.68 0.83 -0.24 1.13 2.86 -0.89 -0.49 114.93 118.80 1p81 h MET 736 Ca 0.18 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1p81 h MET 736 Cb 0.08 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1p81 h MET 736 CO -0.03 0.55 0.07 0.00 1.06 0.00 0.00 176.91 178.56 1p81 h ALA 737 N 1.60 1.68 -0.20 6.32 0.00 -0.69 -0.87 119.26 127.10 1p81 h ALA 737 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p81 h ALA 737 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1p81 h ALA 737 CO -0.05 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1p81 n ALA 738 N -2.49 2.49 0.00 0.00 0.00 -0.22 -3.87 120.51 116.42 1p81 n ALA 738 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1p81 n ALA 738 Cb 0.15 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.13 0.00 -4.25 0.00 -0.00 -0.33 -4.78 115.22 105.99 1p81 n HIS 739 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.68 1p81 n HIS 739 Cb 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.10 1p81 n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1p81 s ARG 740 N 0.00 1.05 -1.11 1.57 1.81 -1.26 -4.72 118.95 116.28 1p81 s ARG 740 Ca 0.00 -1.45 -0.15 0.00 -1.72 0.00 0.00 55.73 52.42 1p81 s ARG 740 Cb 0.00 -0.59 0.17 0.00 -0.45 0.00 0.00 34.95 34.08 1p81 s ARG 740 CO 0.00 0.07 1.30 0.08 -0.68 0.00 0.00 175.30 176.07 1p81 s VAL 741 N -3.35 5.07 0.52 3.52 1.01 0.10 -4.86 120.40 122.41 1p81 s VAL 741 Ca 0.16 -2.44 0.19 0.00 0.00 0.00 0.00 61.98 59.89 1p81 s VAL 741 Cb 0.03 -4.83 0.27 0.00 0.00 0.00 0.00 36.38 31.85 1p81 s VAL 741 CO 0.00 -1.53 2.14 -0.50 0.00 0.00 0.00 175.10 175.22 1p81 h TRP 742 N 7.56 0.00 0.00 5.22 4.06 -1.93 -1.95 115.95 128.91 1p81 h TRP 742 Ca 0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.20 1p81 h TRP 742 Cb 0.92 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 1p81 h TRP 742 CO 1.08 0.04 0.00 0.66 -3.56 0.00 0.00 178.44 176.66 1p81 h SER 743 N 0.00 0.00 0.88 -3.49 4.64 -1.95 -2.64 113.55 110.99 1p81 h SER 743 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1p81 h SER 743 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1p81 h SER 743 CO 0.00 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.82 1p81 n ARG 744 N -2.38 0.07 -0.06 4.77 0.63 -0.73 -4.32 116.66 114.64 1p81 n ARG 744 Ca 0.02 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.89 1p81 n ARG 744 Cb 0.22 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.62 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 0.00 0.50 -0.23 5.15 2.04 -1.64 0.14 117.51 123.46 1p81 h ILE 745 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1p81 h ILE 745 Cb 0.44 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1p81 h ILE 745 CO 0.00 0.00 0.41 -0.65 0.00 0.00 0.00 178.15 177.91 1p81 h PRO 746 N -0.17 0.00 0.00 2.37 0.11 -1.85 -2.12 132.00 130.33 1p81 h PRO 746 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1p81 h PRO 746 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1p81 h PRO 746 CO -0.36 0.00 -1.13 1.63 -0.21 0.00 0.00 178.00 177.94 1p81 n LYS 747 N -3.33 0.22 0.19 1.05 5.02 0.46 -4.48 118.16 117.29 1p81 n LYS 747 Ca 0.03 -0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1p81 n LYS 747 Cb 0.53 -1.54 0.30 0.00 -0.02 0.00 0.00 35.03 34.30 1p81 n LYS 747 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1p81 h ILE 748 N 0.00 0.83 -0.02 -0.18 3.07 -1.28 -3.26 117.51 116.66 1p81 h ILE 748 Ca 0.00 -1.58 0.01 0.00 1.55 0.00 0.00 64.86 64.84 1p81 h ILE 748 Cb 0.67 1.99 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 1p81 h ILE 748 CO 0.00 0.37 0.03 0.44 -1.05 0.00 0.00 178.15 177.93 1p81 h ASP 749 N 0.00 0.00 0.50 2.16 5.19 -1.79 -0.13 116.42 122.36 1p81 h ASP 749 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1p81 h ASP 749 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1p81 h ASP 749 CO 0.05 0.00 -0.08 0.29 -3.12 0.00 0.00 179.24 176.38 1p81 n LYS 750 N -3.86 0.49 -3.24 3.56 4.01 -1.23 -4.74 118.16 113.16 1p81 n LYS 750 Ca -0.02 -0.11 -0.41 0.00 -0.51 0.00 0.00 58.31 57.26 1p81 n LYS 750 Cb 0.11 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.06 1p81 n LYS 750 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1p81 s ILE 751 N -2.58 5.04 -1.18 -0.18 2.07 -0.06 -4.98 121.20 119.33 1p81 s ILE 751 Ca 0.27 0.63 -0.21 0.00 -1.41 0.00 0.00 60.65 59.93 1p81 s ILE 751 Cb 0.20 -3.89 -0.00 0.00 0.13 0.00 0.00 42.46 38.89 1p81 s ILE 751 CO 0.49 -0.06 1.80 -2.16 -1.91 0.00 0.00 174.94 173.10 1p81 s PRO 752 N 2.36 3.23 0.00 3.50 0.04 -1.26 -5.06 135.00 137.80 1p81 s PRO 752 Ca 0.20 -1.39 0.00 0.00 0.04 0.00 0.00 61.00 59.85 1p81 s PRO 752 Cb -0.15 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.03 1p81 s PRO 752 CO 0.11 -3.02 0.00 0.00 0.04 0.00 0.00 177.00 174.13