#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa6 s GLU 37 N 0.00 3.47 -0.13 -0.72 2.56 -1.26 -5.09 118.70 117.53 1pa6 s GLU 37 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 54.97 54.25 1pa6 s GLU 37 Cb 0.00 -3.05 -0.05 0.00 2.00 0.00 0.00 34.13 33.03 1pa6 s GLU 37 CO 0.00 -0.13 0.32 0.71 -0.56 0.00 0.00 175.26 175.60 1pa6 s TYR 38 N 1.34 3.52 0.17 5.30 1.51 -1.26 -4.12 117.35 123.80 1pa6 s TYR 38 Ca 0.04 0.68 0.09 0.00 -1.01 0.00 0.00 57.07 56.87 1pa6 s TYR 38 Cb -0.14 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 1pa6 s TYR 38 CO -0.01 0.34 -0.12 0.54 -1.11 0.00 0.00 175.55 175.19 1pa6 s VAL 39 N 0.09 3.07 0.28 0.71 0.11 -0.20 -4.97 120.40 119.49 1pa6 s VAL 39 Ca 0.18 -1.64 -0.21 0.00 -2.93 0.00 0.00 61.98 57.39 1pa6 s VAL 39 Cb -0.14 -2.49 -0.09 0.00 -1.53 0.00 0.00 36.38 32.13 1pa6 s VAL 39 CO 0.06 -0.06 0.80 -1.61 -3.33 0.00 0.00 175.10 170.96 1pa6 s GLU 40 N -2.65 4.29 0.26 1.54 2.02 -1.26 -4.46 118.70 118.43 1pa6 s GLU 40 Ca 0.23 0.98 -0.08 0.00 0.02 0.00 0.00 54.97 56.12 1pa6 s GLU 40 Cb -0.09 -2.72 0.44 0.00 0.10 0.00 0.00 34.13 31.86 1pa6 s GLU 40 CO 0.14 0.29 1.60 -0.07 0.02 0.00 0.00 175.26 177.23 1pa6 h LEU 41 N 3.02 -0.61 -0.43 1.80 3.38 -1.94 0.11 115.31 120.64 1pa6 h LEU 41 Ca -0.48 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1pa6 h LEU 41 Cb 1.19 0.46 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1pa6 h LEU 41 CO 0.65 -0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1pa6 h ALA 42 N 1.82 1.00 -0.02 1.53 0.00 -1.94 -3.21 119.26 118.44 1pa6 h ALA 42 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1pa6 h ALA 42 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1pa6 h ALA 42 CO -0.81 0.00 -0.23 1.63 0.00 0.00 0.00 179.25 179.84 1pa6 n LYS 43 N -2.52 1.66 -1.93 0.00 5.02 0.30 -4.97 118.16 115.71 1pa6 n LYS 43 Ca 0.03 -1.33 -0.39 0.00 -2.02 0.00 0.00 58.31 54.61 1pa6 n LYS 43 Cb 0.37 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1pa6 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pa6 s ALA 44 N -2.05 3.14 0.20 7.82 0.00 -0.78 -4.89 121.76 125.19 1pa6 s ALA 44 Ca 0.21 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 1pa6 s ALA 44 Cb 0.17 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 1pa6 s ALA 44 CO 0.40 -1.04 1.11 0.45 0.00 0.00 0.00 175.76 176.68 1pa6 s SER 45 N -0.76 7.25 0.00 0.00 0.15 -1.26 -4.94 113.70 114.14 1pa6 s SER 45 Ca 0.62 2.14 0.23 0.00 0.70 0.00 0.00 55.95 59.63 1pa6 s SER 45 Cb -0.39 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.35 1pa6 s SER 45 CO 0.50 -0.22 1.10 0.18 1.20 0.00 0.00 173.24 176.00 1pa6 n LEU 46 N 2.14 1.20 -0.05 3.45 4.77 -1.26 -4.40 117.00 122.85 1pa6 n LEU 46 Ca 0.02 -0.46 -0.03 0.00 -0.03 0.00 0.00 56.01 55.51 1pa6 n LEU 46 Cb 0.46 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1pa6 n LEU 46 CO 0.54 0.26 -0.84 0.35 -1.33 0.00 0.00 177.39 176.37 1pa6 n THR 47 N -1.02 0.65 -0.20 -5.08 -2.24 -1.26 -4.60 114.28 100.53 1pa6 n THR 47 Ca 0.06 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 1pa6 n THR 47 Cb 0.37 -0.47 0.10 0.00 -2.10 0.00 0.00 70.33 68.22 1pa6 n THR 47 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pa6 h SER 48 N 0.00 0.35 0.00 3.42 4.64 -1.95 -3.45 113.55 116.57 1pa6 h SER 48 Ca -0.26 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1pa6 h SER 48 Cb 1.49 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1pa6 h SER 48 CO 0.01 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 1pa6 n ALA 49 N -2.40 0.00 -2.34 5.18 0.00 -1.26 -4.96 120.51 114.72 1pa6 n ALA 49 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 1pa6 n ALA 49 Cb 0.22 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1pa6 n ALA 49 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1pa6 s GLN 50 N -1.53 3.67 0.17 0.00 1.11 -1.26 -4.89 119.66 116.93 1pa6 s GLN 50 Ca 0.00 0.21 -0.32 0.00 0.01 0.00 0.00 55.36 55.27 1pa6 s GLN 50 Cb 0.00 -2.49 -0.10 0.00 -1.01 0.00 0.00 33.01 29.40 1pa6 s GLN 50 CO 0.00 0.03 1.61 -2.14 0.01 0.00 0.00 175.29 174.80 1pa6 s PRO 51 N -3.92 4.19 0.29 2.91 0.02 -1.26 -4.64 135.00 132.59 1pa6 s PRO 51 Ca 0.47 2.42 0.08 0.00 0.02 0.00 0.00 61.00 64.00 1pa6 s PRO 51 Cb -0.10 -3.14 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 1pa6 s PRO 51 CO 0.33 -0.64 -0.10 -0.65 -0.33 0.00 0.00 177.00 175.61 1pa6 s GLN 52 N 1.18 1.61 0.07 5.54 -0.21 0.71 -4.76 119.66 123.80 1pa6 s GLN 52 Ca 0.71 -1.80 0.06 0.00 0.02 0.00 0.00 55.36 54.35 1pa6 s GLN 52 Cb -0.45 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.13 1pa6 s GLN 52 CO 0.31 0.13 -0.15 -1.01 -2.12 0.00 0.00 175.29 172.45 1pa6 s HIS 53 N -2.82 1.31 0.25 0.91 3.76 -1.26 -1.27 115.29 116.17 1pa6 s HIS 53 Ca 0.29 -0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 54.56 1pa6 s HIS 53 Cb 0.01 -0.74 0.03 0.00 1.11 0.00 0.00 32.58 32.99 1pa6 s HIS 53 CO 0.13 0.08 0.67 -0.59 -0.85 0.00 0.00 174.74 174.18 1pa6 s PHE 54 N -1.18 -0.22 0.03 1.40 -0.12 -1.11 -1.04 117.98 115.74 1pa6 s PHE 54 Ca -0.00 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 56.78 1pa6 s PHE 54 Cb -0.10 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1pa6 s PHE 54 CO 0.02 -1.13 -0.24 0.71 -0.05 0.00 0.00 175.22 174.53 1pa6 s TYR 55 N -3.89 2.11 0.28 3.49 1.51 -1.26 -2.05 117.35 117.54 1pa6 s TYR 55 Ca 0.10 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 1pa6 s TYR 55 Cb -0.04 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1pa6 s TYR 55 CO 0.03 0.07 0.64 0.00 -1.11 0.00 0.00 175.55 175.18 1pa6 s ALA 56 N -0.73 -0.81 -0.09 3.71 0.00 -0.71 -4.85 121.76 118.28 1pa6 s ALA 56 Ca 0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1pa6 s ALA 56 Cb -0.09 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1pa6 s ALA 56 CO 0.01 -0.97 0.01 0.08 0.00 0.00 0.00 175.76 174.90 1pa6 s VAL 57 N -3.83 4.41 -0.26 0.00 1.01 0.14 -1.60 120.40 120.28 1pa6 s VAL 57 Ca 0.16 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1pa6 s VAL 57 Cb -0.04 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1pa6 s VAL 57 CO 0.08 0.60 0.22 -0.69 0.00 0.00 0.00 175.10 175.31 1pa6 s VAL 58 N -0.91 5.30 -0.31 2.92 1.01 -0.76 -0.83 120.40 126.82 1pa6 s VAL 58 Ca 0.14 0.27 0.11 0.00 0.00 0.00 0.00 61.98 62.50 1pa6 s VAL 58 Cb -0.11 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.56 1pa6 s VAL 58 CO 0.03 0.27 0.38 2.30 0.00 0.00 0.00 175.10 178.08 1pa6 n ILE 59 N 4.75 0.00 -3.55 2.22 -5.35 -0.52 -0.34 119.36 116.57 1pa6 n ILE 59 Ca -0.13 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 61.96 1pa6 n ILE 59 Cb 0.52 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 39.03 1pa6 n ILE 59 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1pa6 s ASP 60 N -2.61 -0.54 0.08 7.28 2.15 -1.19 -4.82 116.67 117.02 1pa6 s ASP 60 Ca 0.01 0.63 -0.26 0.00 0.43 0.00 0.00 52.55 53.36 1pa6 s ASP 60 Cb 0.08 0.51 0.08 0.00 -0.30 0.00 0.00 42.92 43.29 1pa6 s ASP 60 CO 0.47 -0.46 0.70 0.00 -0.17 0.00 0.00 175.17 175.70 1pa6 s ALA 61 N -1.01 -1.69 0.42 3.66 0.00 -1.26 0.92 121.76 122.80 1pa6 s ALA 61 Ca -0.06 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1pa6 s ALA 61 Cb -0.01 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 1pa6 s ALA 61 CO 0.05 -0.68 0.63 0.95 0.00 0.00 0.00 175.76 176.72 1pa6 s THR 62 N -3.14 4.02 0.70 0.00 -4.23 -0.06 -4.72 115.64 108.22 1pa6 s THR 62 Ca 0.00 -0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.80 1pa6 s THR 62 Cb -0.01 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.38 1pa6 s THR 62 CO -0.08 -0.30 1.06 0.12 -0.54 0.00 0.00 174.62 174.88 1pa6 s PHE 63 N -2.47 3.11 0.11 3.99 5.36 -0.19 -4.63 117.98 123.26 1pa6 s PHE 63 Ca 0.48 1.38 -0.30 0.00 -0.96 0.00 0.00 56.93 57.52 1pa6 s PHE 63 Cb -0.10 -2.90 -0.06 0.00 -0.34 0.00 0.00 43.02 39.62 1pa6 s PHE 63 CO 0.36 -1.26 1.18 -2.14 -1.46 0.00 0.00 175.22 171.90 1pa6 s PRO 64 N -5.07 4.47 0.07 10.12 0.02 -1.26 -4.71 135.00 138.65 1pa6 s PRO 64 Ca 0.58 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.41 1pa6 s PRO 64 Cb -0.14 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 1pa6 s PRO 64 CO 0.55 -0.16 -0.08 1.52 -0.33 0.00 0.00 177.00 178.49 1pa6 s TYR 65 N 0.60 0.85 -0.11 6.54 1.13 -0.11 -4.91 117.35 121.33 1pa6 s TYR 65 Ca 0.56 -0.65 -0.22 0.00 -1.41 0.00 0.00 57.07 55.35 1pa6 s TYR 65 Cb -0.30 -0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 40.04 1pa6 s TYR 65 CO 0.32 -0.08 0.65 0.21 -2.51 0.00 0.00 175.55 174.14 1pa6 s LYS 66 N -2.48 4.36 -0.16 -3.49 2.20 -1.26 -0.58 119.74 118.33 1pa6 s LYS 66 Ca -0.00 0.75 0.03 0.00 -0.36 0.00 0.00 55.97 56.38 1pa6 s LYS 66 Cb -0.04 -3.48 -0.23 0.00 -1.51 0.00 0.00 37.83 32.57 1pa6 s LYS 66 CO -0.01 -0.02 0.20 0.25 -0.36 0.00 0.00 175.35 175.41 1pa6 n THR 67 N 4.04 1.61 -1.84 3.43 -2.24 -0.05 -4.99 114.28 114.24 1pa6 n THR 67 Ca -0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1pa6 n THR 67 Cb 0.51 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1pa6 n THR 67 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1pa6 n ASN 68 N -3.24 0.00 0.08 3.42 0.23 -1.24 -5.00 115.26 109.51 1pa6 n ASN 68 Ca -0.34 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 53.84 1pa6 n ASN 68 Cb 1.05 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 39.21 1pa6 n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pa6 n GLN 69 N 0.00 0.16 -0.07 -3.83 6.02 -1.26 -4.14 117.38 114.26 1pa6 n GLN 69 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1pa6 n GLN 69 Cb 0.00 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.54 1pa6 n GLN 69 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1pa6 n GLU 70 N -2.02 0.05 -4.17 -1.09 0.28 -1.26 -5.11 120.64 107.33 1pa6 n GLU 70 Ca 0.05 -0.59 -0.16 0.00 -0.16 0.00 0.00 57.16 56.30 1pa6 n GLU 70 Cb 0.34 -0.51 -0.14 0.00 1.43 0.00 0.00 31.44 32.55 1pa6 n GLU 70 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1pa6 s ARG 71 N -0.02 0.45 0.01 3.44 6.06 -1.26 -4.44 118.95 123.18 1pa6 s ARG 71 Ca 0.00 -0.22 0.06 0.00 -2.50 0.00 0.00 55.73 53.07 1pa6 s ARG 71 Cb 0.00 -0.42 -0.02 0.00 0.06 0.00 0.00 34.95 34.57 1pa6 s ARG 71 CO 0.00 0.11 -0.19 0.71 -2.50 0.00 0.00 175.30 173.44 1pa6 s TYR 72 N -0.18 1.66 0.08 5.12 1.51 -0.03 -0.87 117.35 124.64 1pa6 s TYR 72 Ca 0.02 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 1pa6 s TYR 72 Cb -0.02 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1pa6 s TYR 72 CO -0.00 0.01 -0.16 0.42 -1.11 0.00 0.00 175.55 174.71 1pa6 s ILE 73 N -0.57 1.28 -0.09 2.71 1.01 0.25 -1.49 121.20 124.31 1pa6 s ILE 73 Ca 0.07 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.33 1pa6 s ILE 73 Cb -0.08 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 41.23 1pa6 s ILE 73 CO 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 174.94 174.87 1pa6 s SER 75 N 2.19 5.13 0.11 0.00 0.15 -1.26 -0.70 113.70 119.31 1pa6 s SER 75 Ca 0.04 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.64 1pa6 s SER 75 Cb -0.13 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1pa6 s SER 75 CO -0.05 0.15 -0.02 -1.48 1.20 0.00 0.00 173.24 173.04 1pa6 s LEU 76 N 0.49 2.29 -0.13 3.45 2.34 0.56 -0.88 118.68 126.79 1pa6 s LEU 76 Ca -0.00 -1.08 -0.02 0.00 0.06 0.00 0.00 54.13 53.08 1pa6 s LEU 76 Cb -0.14 0.04 -0.03 0.00 -0.56 0.00 0.00 46.19 45.50 1pa6 s LEU 76 CO 0.02 -0.56 -0.05 -0.54 -1.06 0.00 0.00 176.35 174.16 1pa6 s LYS 77 N -3.90 3.41 0.10 1.48 1.02 0.26 -0.39 119.74 121.72 1pa6 s LYS 77 Ca 0.16 -0.53 0.07 0.00 0.02 0.00 0.00 55.97 55.69 1pa6 s LYS 77 Cb 0.06 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1pa6 s LYS 77 CO -0.02 0.36 -0.18 0.96 -0.92 0.00 0.00 175.35 175.55 1pa6 s ILE 78 N 0.02 1.51 0.23 2.17 -4.36 -0.90 -1.44 121.20 118.43 1pa6 s ILE 78 Ca -0.00 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1pa6 s ILE 78 Cb -0.13 -1.46 -0.05 0.00 1.25 0.00 0.00 42.46 42.07 1pa6 s ILE 78 CO 0.03 -0.19 0.09 0.68 0.24 0.00 0.00 174.94 175.79 1pa6 s VAL 79 N -1.44 0.42 0.23 8.37 -7.23 -0.01 -1.01 120.40 119.73 1pa6 s VAL 79 Ca 0.06 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.01 1pa6 s VAL 79 Cb -0.09 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.37 1pa6 s VAL 79 CO 0.04 -0.07 0.88 1.51 -0.31 0.00 0.00 175.10 177.15 1pa6 s ASP 80 N -3.25 -0.14 0.47 4.85 -4.77 -0.56 -0.68 116.67 112.58 1pa6 s ASP 80 Ca 0.36 -0.64 0.32 0.00 -3.30 0.00 0.00 52.55 49.30 1pa6 s ASP 80 Cb 0.07 0.62 1.43 0.00 -1.09 0.00 0.00 42.92 43.96 1pa6 s ASP 80 CO 0.12 -1.18 1.68 -0.65 0.70 0.00 0.00 175.17 175.84 1pa6 h PRO 81 N 2.00 0.11 -0.01 2.11 0.11 -1.98 0.30 132.00 134.64 1pa6 h PRO 81 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1pa6 h PRO 81 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pa6 h PRO 81 CO 0.29 0.08 -0.18 0.25 -0.21 0.00 0.00 178.00 178.23 1pa6 n THR 82 N -4.47 0.00 -3.18 -1.15 -2.24 -1.26 -4.79 114.28 97.19 1pa6 n THR 82 Ca 0.34 -0.20 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 1pa6 n THR 82 Cb 1.38 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 70.18 1pa6 n THR 82 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1pa6 s LEU 83 N -2.31 -1.44 0.00 3.22 2.96 0.09 -4.50 118.68 116.70 1pa6 s LEU 83 Ca 0.28 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1pa6 s LEU 83 Cb 0.20 1.90 0.00 0.00 0.50 0.00 0.00 46.19 48.79 1pa6 s LEU 83 CO 0.45 -0.30 0.00 0.00 -1.32 0.00 0.00 176.35 175.18 1pa6 n TYR 84 N 5.41 0.00 -3.73 5.38 0.18 -1.24 -1.49 117.16 121.66 1pa6 n TYR 84 Ca 0.03 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.68 1pa6 n TYR 84 Cb 0.53 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.38 1pa6 n TYR 84 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1pa6 s LEU 85 N 0.00 0.41 0.46 -3.48 2.96 -1.25 -2.15 118.68 115.62 1pa6 s LEU 85 Ca 0.00 0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 54.50 1pa6 s LEU 85 Cb 0.00 1.33 -0.10 0.00 0.50 0.00 0.00 46.19 47.92 1pa6 s LEU 85 CO 0.00 -0.15 0.98 -0.54 -1.32 0.00 0.00 176.35 175.33 1pa6 s LYS 86 N 0.42 4.05 -0.83 1.98 1.02 -0.81 -4.55 119.74 121.03 1pa6 s LYS 86 Ca -0.02 1.20 -0.09 0.00 0.02 0.00 0.00 55.97 57.09 1pa6 s LYS 86 Cb -0.04 -2.15 -0.27 0.00 -0.52 0.00 0.00 37.83 34.85 1pa6 s LYS 86 CO -0.02 -0.19 1.80 1.04 -0.92 0.00 0.00 175.35 177.06 1pa6 n GLN 87 N -0.81 0.00 -2.17 1.68 6.02 -1.26 -4.76 117.38 116.08 1pa6 n GLN 87 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 1pa6 n GLN 87 Cb 0.53 -0.85 -0.02 0.00 1.02 0.00 0.00 30.24 30.92 1pa6 n GLN 87 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1pa6 s GLN 88 N 5.88 3.73 0.03 -1.09 -2.07 -1.26 -3.50 119.66 121.38 1pa6 s GLN 88 Ca 1.09 1.48 0.00 0.00 -1.82 0.00 0.00 55.36 56.12 1pa6 s GLN 88 Cb -0.72 -4.03 0.00 0.00 -1.09 0.00 0.00 33.01 27.16 1pa6 s GLN 88 CO 0.47 -1.38 0.00 1.17 -1.32 0.00 0.00 175.29 174.23 1pa6 n LYS 89 N 7.76 0.00 0.00 9.60 3.00 -1.26 -4.86 118.16 132.40 1pa6 n LYS 89 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1pa6 n LYS 89 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 1pa6 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pa6 n GLY 90 N -1.05 0.65 0.13 3.14 0.00 -1.26 -4.74 105.19 102.06 1pa6 n GLY 90 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1pa6 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pa6 h ALA 91 N 0.00 0.02 -0.01 4.61 0.00 -1.89 -3.48 119.26 118.51 1pa6 h ALA 91 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1pa6 h ALA 91 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pa6 h ALA 91 CO 0.00 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1pa6 n GLY 92 N 1.53 1.14 3.93 0.00 0.00 -1.26 -4.02 105.19 106.52 1pa6 n GLY 92 Ca -0.11 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1pa6 n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pa6 n ASP 93 N 1.04 -4.81 -4.76 1.61 -0.08 -1.26 -4.93 116.55 103.36 1pa6 n ASP 93 Ca 0.00 -0.79 -0.40 0.00 -1.51 0.00 0.00 54.79 52.10 1pa6 n ASP 93 Cb 0.26 -3.84 -0.06 0.00 2.34 0.00 0.00 41.12 39.83 1pa6 n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pa6 s ALA 94 N -3.30 3.41 0.17 -1.67 0.00 -1.26 -4.90 121.76 114.22 1pa6 s ALA 94 Ca 0.68 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1pa6 s ALA 94 Cb -0.34 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1pa6 s ALA 94 CO 0.83 0.21 1.19 -1.12 0.00 0.00 0.00 175.76 176.88 1pa6 s SER 95 N -0.77 7.09 0.18 0.00 0.01 -1.26 -1.93 113.70 117.02 1pa6 s SER 95 Ca 0.37 2.21 0.04 0.00 1.31 0.00 0.00 55.95 59.88 1pa6 s SER 95 Cb -0.22 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.37 1pa6 s SER 95 CO 0.26 -0.37 0.26 -0.62 0.41 0.00 0.00 173.24 173.17 1pa6 s ASP 96 N 0.21 6.07 -0.02 2.44 2.15 -0.91 -4.67 116.67 121.93 1pa6 s ASP 96 Ca 0.53 0.04 -0.30 0.00 0.43 0.00 0.00 52.55 53.26 1pa6 s ASP 96 Cb -0.32 -1.74 0.11 0.00 -0.30 0.00 0.00 42.92 40.66 1pa6 s ASP 96 CO 0.36 0.02 1.00 -0.72 -0.17 0.00 0.00 175.17 175.66 1pa6 s TYR 97 N -1.83 -0.24 0.59 -5.34 -0.85 -1.26 -3.65 117.35 104.77 1pa6 s TYR 97 Ca 0.33 0.09 0.05 0.00 -0.52 0.00 0.00 57.07 57.03 1pa6 s TYR 97 Cb -0.10 0.55 0.08 0.00 0.38 0.00 0.00 41.96 42.87 1pa6 s TYR 97 CO 0.27 -0.50 0.81 0.00 -1.52 0.00 0.00 175.55 174.61 1pa6 s ALA 98 N -2.94 4.24 0.09 9.51 0.00 -0.18 -4.72 121.76 127.77 1pa6 s ALA 98 Ca 0.08 -1.80 0.06 0.00 0.00 0.00 0.00 51.96 50.30 1pa6 s ALA 98 Cb -0.01 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1pa6 s ALA 98 CO -0.06 -0.91 -0.15 0.95 0.00 0.00 0.00 175.76 175.59 1pa6 s THR 99 N -2.76 1.23 -0.06 0.00 -4.23 -0.58 -2.13 115.64 107.12 1pa6 s THR 99 Ca 0.61 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1pa6 s THR 99 Cb -0.07 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.52 1pa6 s THR 99 CO 0.39 -0.27 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.85 1pa6 s LEU 100 N -1.97 1.72 -0.19 4.79 2.96 0.47 -0.34 118.68 126.13 1pa6 s LEU 100 Ca 0.02 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1pa6 s LEU 100 Cb -0.08 -0.86 0.04 0.00 0.50 0.00 0.00 46.19 45.79 1pa6 s LEU 100 CO 0.03 0.06 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.31 1pa6 s VAL 101 N 0.51 1.71 -0.18 1.68 1.01 -0.41 -0.32 120.40 124.39 1pa6 s VAL 101 Ca -0.12 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1pa6 s VAL 101 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1pa6 s VAL 101 CO 0.04 0.24 0.08 -0.76 0.00 0.00 0.00 175.10 174.69 1pa6 s LEU 102 N 1.38 3.91 -0.06 3.92 1.43 0.12 -2.09 118.68 127.29 1pa6 s LEU 102 Ca -0.00 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1pa6 s LEU 102 Cb -0.16 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1pa6 s LEU 102 CO -0.09 0.19 -0.17 -0.31 0.23 0.00 0.00 176.35 176.20 1pa6 s TYR 103 N 0.30 2.65 0.22 0.29 1.51 -0.48 -2.02 117.35 119.82 1pa6 s TYR 103 Ca 0.05 -0.30 -0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1pa6 s TYR 103 Cb -0.12 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1pa6 s TYR 103 CO -0.00 0.08 0.32 0.00 -1.11 0.00 0.00 175.55 174.83 1pa6 s ALA 104 N -0.54 0.34 -0.89 3.71 0.00 -0.55 0.79 121.76 124.62 1pa6 s ALA 104 Ca 0.07 -1.20 0.20 0.00 0.00 0.00 0.00 51.96 51.03 1pa6 s ALA 104 Cb -0.11 1.16 -0.22 0.00 0.00 0.00 0.00 23.12 23.95 1pa6 s ALA 104 CO 0.01 -0.72 0.82 1.63 0.00 0.00 0.00 175.76 177.49 1pa6 n LYS 105 N -0.32 0.52 -4.10 0.00 5.02 -1.26 -0.85 118.16 117.17 1pa6 n LYS 105 Ca -0.01 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 1pa6 n LYS 105 Cb 0.64 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 1pa6 n LYS 105 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pa6 s ARG 106 N -2.88 0.50 0.09 1.97 0.52 -1.26 -4.70 118.95 113.19 1pa6 s ARG 106 Ca 0.07 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 54.44 1pa6 s ARG 106 Cb 0.15 -0.35 -0.14 0.00 0.52 0.00 0.00 34.95 35.13 1pa6 s ARG 106 CO 0.81 0.08 1.66 0.35 0.02 0.00 0.00 175.30 178.21 1pa6 h PHE 107 N 5.06 -0.60 0.00 -0.53 3.57 -1.97 -2.37 116.94 120.10 1pa6 h PHE 107 Ca -0.33 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1pa6 h PHE 107 Cb 1.20 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1pa6 h PHE 107 CO 0.56 -0.35 0.32 -0.85 -2.23 0.00 0.00 178.31 175.76 1pa6 n GLU 108 N -5.36 0.07 -0.12 1.11 0.00 -1.26 -1.36 120.64 113.73 1pa6 n GLU 108 Ca -0.10 0.51 0.10 0.00 0.00 0.00 0.00 57.16 57.67 1pa6 n GLU 108 Cb 0.26 -2.05 0.31 0.00 0.00 0.00 0.00 31.44 29.96 1pa6 n GLU 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pa6 n ASP 109 N -1.90 1.96 -4.32 -1.84 8.00 -0.89 -4.89 116.55 112.67 1pa6 n ASP 109 Ca -0.01 -1.81 -0.27 0.00 0.71 0.00 0.00 54.79 53.42 1pa6 n ASP 109 Cb 0.34 -0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 41.15 1pa6 n ASP 109 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pa6 s LEU 110 N -1.42 2.26 0.18 0.64 1.43 -0.46 -4.87 118.68 116.43 1pa6 s LEU 110 Ca 0.31 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1pa6 s LEU 110 Cb 0.17 -1.06 -0.08 0.00 0.03 0.00 0.00 46.19 45.25 1pa6 s LEU 110 CO 0.25 0.15 1.28 -2.16 0.23 0.00 0.00 176.35 176.09 1pa6 s PRO 111 N -1.68 4.41 -0.37 1.29 0.04 -1.26 -4.97 135.00 132.45 1pa6 s PRO 111 Ca 0.10 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1pa6 s PRO 111 Cb -0.10 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1pa6 s PRO 111 CO 0.04 -0.23 0.24 0.42 0.04 0.00 0.00 177.00 177.51 1pa6 s ILE 112 N 0.24 4.92 -0.45 0.56 1.01 -1.26 -4.57 121.20 121.65 1pa6 s ILE 112 Ca 0.57 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 60.42 1pa6 s ILE 112 Cb -0.35 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.49 1pa6 s ILE 112 CO 0.36 -0.18 0.44 -0.63 0.00 0.00 0.00 174.94 174.94 1pa6 s ILE 113 N 1.63 5.11 -0.13 2.92 -1.09 -1.26 -4.87 121.20 123.52 1pa6 s ILE 113 Ca 0.04 -0.63 0.22 0.00 -2.23 0.00 0.00 60.65 58.05 1pa6 s ILE 113 Cb -0.19 -4.10 -0.21 0.00 -1.58 0.00 0.00 42.46 36.39 1pa6 s ILE 113 CO 0.08 -0.53 0.71 1.41 -1.23 0.00 0.00 174.94 175.38 1pa6 n HIS 114 N 5.53 0.38 -4.09 3.97 8.25 -1.26 -4.83 115.22 123.16 1pa6 n HIS 114 Ca -0.09 0.11 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1pa6 n HIS 114 Cb 0.46 -0.67 -0.15 0.00 1.12 0.00 0.00 29.99 30.75 1pa6 n HIS 114 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1pa6 s ARG 115 N -3.45 0.40 0.10 -0.41 3.52 -1.26 -0.34 118.95 117.52 1pa6 s ARG 115 Ca -0.05 -0.12 -0.24 0.00 -0.13 0.00 0.00 55.73 55.19 1pa6 s ARG 115 Cb 0.12 -0.42 -0.07 0.00 -1.56 0.00 0.00 34.95 33.02 1pa6 s ARG 115 CO 0.86 0.04 0.74 0.00 -0.81 0.00 0.00 175.30 176.14 1pa6 s ALA 116 N 0.17 3.44 0.00 6.12 0.00 0.28 -4.05 121.76 127.71 1pa6 s ALA 116 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1pa6 s ALA 116 Cb -0.05 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1pa6 s ALA 116 CO -0.00 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1pa6 n GLY 117 N 1.94 1.36 3.62 0.00 0.00 0.54 -2.66 105.19 109.99 1pa6 n GLY 117 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1pa6 n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pa6 s ASP 118 N -1.02 1.91 0.12 1.61 1.01 -1.26 -4.66 116.67 114.37 1pa6 s ASP 118 Ca 0.00 1.14 0.05 0.00 0.71 0.00 0.00 52.55 54.45 1pa6 s ASP 118 Cb 0.00 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 1pa6 s ASP 118 CO 0.00 -3.57 0.04 -0.63 0.21 0.00 0.00 175.17 171.21 1pa6 s ILE 119 N -2.86 4.13 -0.03 0.77 1.01 -0.34 -1.84 121.20 122.05 1pa6 s ILE 119 Ca 0.67 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1pa6 s ILE 119 Cb -0.19 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1pa6 s ILE 119 CO 0.59 0.04 -0.08 -0.51 0.00 0.00 0.00 174.94 174.98 1pa6 s ILE 120 N -1.47 0.72 -0.11 2.92 2.07 -0.63 -0.37 121.20 124.33 1pa6 s ILE 120 Ca 0.27 -0.32 0.01 0.00 -1.41 0.00 0.00 60.65 59.20 1pa6 s ILE 120 Cb -0.11 -0.65 -0.02 0.00 0.13 0.00 0.00 42.46 41.81 1pa6 s ILE 120 CO 0.20 0.23 -0.13 -0.60 -1.91 0.00 0.00 174.94 172.73 1pa6 s ARG 121 N 0.25 3.14 0.03 3.50 3.52 0.15 -1.74 118.95 127.80 1pa6 s ARG 121 Ca -0.04 -0.68 0.07 0.00 -0.13 0.00 0.00 55.73 54.95 1pa6 s ARG 121 Cb -0.09 -2.57 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1pa6 s ARG 121 CO 0.00 0.34 -0.21 0.08 -0.81 0.00 0.00 175.30 174.70 1pa6 s VAL 122 N 0.03 1.67 0.02 7.11 1.01 -0.87 -0.13 120.40 129.24 1pa6 s VAL 122 Ca -0.04 -1.15 0.07 0.00 0.00 0.00 0.00 61.98 60.86 1pa6 s VAL 122 Cb -0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1pa6 s VAL 122 CO 0.04 0.25 -0.22 -1.00 0.00 0.00 0.00 175.10 174.17 1pa6 s HIS 123 N -0.75 1.93 -0.98 5.22 3.76 0.10 -2.74 115.29 121.82 1pa6 s HIS 123 Ca 0.08 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.51 1pa6 s HIS 123 Cb -0.09 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.40 1pa6 s HIS 123 CO 0.01 0.05 0.78 0.54 -0.85 0.00 0.00 174.74 175.28 1pa6 n ARG 124 N 2.08 -1.52 -4.31 1.40 1.74 -1.10 -2.86 116.66 112.09 1pa6 n ARG 124 Ca -0.16 0.85 -0.31 0.00 -0.77 0.00 0.00 57.85 57.46 1pa6 n ARG 124 Cb 0.53 -4.71 -0.10 0.00 -1.02 0.00 0.00 32.46 27.16 1pa6 n ARG 124 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pa6 s ALA 125 N -3.27 3.01 -0.08 7.54 0.00 -0.40 -4.55 121.76 124.00 1pa6 s ALA 125 Ca 0.30 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1pa6 s ALA 125 Cb -0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1pa6 s ALA 125 CO 0.81 0.64 -0.05 0.95 0.00 0.00 0.00 175.76 178.11 1pa6 s THR 126 N -1.14 3.88 -0.07 0.00 -4.23 0.01 -0.21 115.64 113.88 1pa6 s THR 126 Ca 0.20 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1pa6 s THR 126 Cb -0.11 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1pa6 s THR 126 CO 0.12 0.59 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.50 1pa6 s LEU 127 N -0.70 3.14 0.15 4.79 2.96 -1.26 -0.38 118.68 127.38 1pa6 s LEU 127 Ca 0.11 -0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.84 1pa6 s LEU 127 Cb -0.11 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1pa6 s LEU 127 CO 0.02 0.35 0.40 0.00 -1.32 0.00 0.00 176.35 175.80 1pa6 s ARG 128 N -0.76 1.17 -0.08 1.98 1.70 -0.61 -4.74 118.95 117.61 1pa6 s ARG 128 Ca 0.12 -0.87 -0.23 0.00 -0.47 0.00 0.00 55.73 54.27 1pa6 s ARG 128 Cb -0.11 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1pa6 s ARG 128 CO 0.01 -0.46 0.67 -1.17 -1.08 0.00 0.00 175.30 173.28 1pa6 s LEU 129 N -2.86 4.31 -0.24 -1.89 2.96 -1.26 -0.39 118.68 119.30 1pa6 s LEU 129 Ca 0.08 1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1pa6 s LEU 129 Cb 0.01 -3.03 0.07 0.00 0.50 0.00 0.00 46.19 43.74 1pa6 s LEU 129 CO -0.07 -0.11 0.01 -0.47 -1.32 0.00 0.00 176.35 174.40 1pa6 s TYR 130 N 0.82 1.85 -1.41 5.38 5.04 -0.38 -4.82 117.35 123.84 1pa6 s TYR 130 Ca 0.36 -1.50 -0.01 0.00 -2.44 0.00 0.00 57.07 53.48 1pa6 s TYR 130 Cb -0.17 -1.48 0.01 0.00 0.35 0.00 0.00 41.96 40.66 1pa6 s TYR 130 CO 0.17 -0.75 0.45 0.09 -1.34 0.00 0.00 175.55 174.17 1pa6 n ASN 131 N 4.82 -0.49 0.00 4.32 3.02 -1.26 -1.78 115.26 123.89 1pa6 n ASN 131 Ca -0.08 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1pa6 n ASN 131 Cb 0.45 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 1pa6 n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pa6 n GLY 132 N -1.94 3.21 3.49 7.41 0.00 -1.26 -5.04 105.19 111.07 1pa6 n GLY 132 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1pa6 n GLY 132 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pa6 s GLN 133 N -0.46 1.79 -0.07 1.61 1.03 -0.74 -5.07 119.66 117.76 1pa6 s GLN 133 Ca 0.00 -1.24 -0.30 0.00 0.04 0.00 0.00 55.36 53.87 1pa6 s GLN 133 Cb 0.00 -2.09 -0.05 0.00 0.03 0.00 0.00 33.01 30.90 1pa6 s GLN 133 CO 0.00 0.46 1.66 1.03 -2.54 0.00 0.00 175.29 175.90 1pa6 s ARG 134 N -2.32 4.14 -0.22 9.60 0.52 -1.26 -1.24 118.95 128.17 1pa6 s ARG 134 Ca 0.19 2.15 0.01 0.00 -0.52 0.00 0.00 55.73 57.56 1pa6 s ARG 134 Cb -0.10 -4.00 0.03 0.00 0.52 0.00 0.00 34.95 31.41 1pa6 s ARG 134 CO 0.11 -0.89 -0.15 -1.14 0.02 0.00 0.00 175.30 173.25 1pa6 s GLN 135 N 4.11 2.77 -0.09 3.54 0.74 0.48 -1.52 119.66 129.69 1pa6 s GLN 135 Ca 0.74 -0.99 -0.14 0.00 0.05 0.00 0.00 55.36 55.01 1pa6 s GLN 135 Cb -0.33 -2.75 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1pa6 s GLN 135 CO 0.30 -0.34 0.35 -0.06 -0.55 0.00 0.00 175.29 174.99 1pa6 s PHE 136 N 1.25 3.57 -0.03 1.67 0.40 0.54 -1.58 117.98 123.81 1pa6 s PHE 136 Ca 0.00 0.78 0.06 0.00 -0.60 0.00 0.00 56.93 57.17 1pa6 s PHE 136 Cb -0.16 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.03 1pa6 s PHE 136 CO -0.09 0.41 -0.21 -0.80 0.70 0.00 0.00 175.22 175.23 1pa6 s ASN 137 N -0.16 2.51 -0.07 1.36 0.01 0.49 -1.29 114.94 117.79 1pa6 s ASN 137 Ca 0.21 -0.40 -0.03 0.00 -0.71 0.00 0.00 52.86 51.93 1pa6 s ASN 137 Cb -0.15 -0.43 0.04 0.00 0.41 0.00 0.00 41.25 41.13 1pa6 s ASN 137 CO 0.08 0.24 0.13 0.00 -1.51 0.00 0.00 177.10 176.04 1pa6 s ALA 138 N -0.34 -0.07 -0.63 0.60 0.00 -0.89 -0.81 121.76 119.62 1pa6 s ALA 138 Ca 0.04 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 1pa6 s ALA 138 Cb -0.10 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.41 1pa6 s ALA 138 CO 0.00 -0.45 0.91 -0.80 0.00 0.00 0.00 175.76 175.42 1pa6 s ASN 139 N 2.01 6.20 0.47 0.00 0.01 -1.26 -1.38 114.94 120.99 1pa6 s ASN 139 Ca 0.01 -0.94 0.22 0.00 -0.71 0.00 0.00 52.86 51.44 1pa6 s ASN 139 Cb -0.12 -2.40 1.18 0.00 0.41 0.00 0.00 41.25 40.32 1pa6 s ASN 139 CO -0.05 -1.34 1.99 0.58 -1.51 0.00 0.00 177.10 176.77 1pa6 h VAL 140 N 5.97 0.80 0.00 1.60 2.07 0.17 -1.62 116.25 125.25 1pa6 h VAL 140 Ca -0.28 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1pa6 h VAL 140 Cb 1.07 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1pa6 h VAL 140 CO 1.15 0.19 0.00 2.22 0.02 0.00 0.00 177.57 181.14 1pa6 n PHE 141 N -3.82 0.00 0.00 1.57 1.16 -1.16 -4.38 117.46 110.84 1pa6 n PHE 141 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1pa6 n PHE 141 Cb 0.29 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 37.81 1pa6 n PHE 141 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 1pa6 n TYR 142 N -1.35 0.00 -0.85 2.97 9.36 -0.64 -4.99 117.16 121.66 1pa6 n TYR 142 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1pa6 n TYR 142 Cb 0.15 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 1pa6 n TYR 142 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1pa6 n SER 143 N -0.75 0.34 -4.92 2.98 3.41 -1.17 -5.09 113.62 108.41 1pa6 n SER 143 Ca 0.00 -1.19 -0.27 0.00 -0.26 0.00 0.00 58.87 57.15 1pa6 n SER 143 Cb 0.00 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1pa6 n SER 143 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pa6 s SER 144 N -0.19 6.38 0.08 4.04 0.01 -1.01 -4.78 113.70 118.24 1pa6 s SER 144 Ca 0.00 0.58 -0.15 0.00 1.31 0.00 0.00 55.95 57.70 1pa6 s SER 144 Cb 0.00 -2.09 0.03 0.00 0.21 0.00 0.00 66.02 64.17 1pa6 s SER 144 CO 0.00 -0.21 0.35 -0.94 0.41 0.00 0.00 173.24 172.85 1pa6 s SER 145 N -3.44 -0.16 0.19 2.44 1.04 -1.13 -4.41 113.70 108.22 1pa6 s SER 145 Ca 0.42 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.59 1pa6 s SER 145 Cb -0.10 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 1pa6 s SER 145 CO 0.32 -0.74 0.03 -1.66 0.98 0.00 0.00 173.24 172.17 1pa6 s TRP 146 N -3.26 1.27 -0.20 5.02 1.48 -1.26 0.01 118.94 122.01 1pa6 s TRP 146 Ca -0.00 -1.08 -0.17 0.00 -1.06 0.00 0.00 56.10 53.79 1pa6 s TRP 146 Cb 0.01 -0.73 0.05 0.00 -1.16 0.00 0.00 33.47 31.65 1pa6 s TRP 146 CO -0.08 -0.27 0.52 0.00 -4.06 0.00 0.00 176.95 173.06 1pa6 s ALA 147 N -3.71 -1.29 -0.07 2.67 0.00 0.82 -1.75 121.76 118.42 1pa6 s ALA 147 Ca 0.28 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.76 1pa6 s ALA 147 Cb 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1pa6 s ALA 147 CO 0.06 -0.25 -0.11 -0.51 0.00 0.00 0.00 175.76 174.95 1pa6 s LEU 148 N 0.42 2.92 0.00 0.00 1.43 0.77 0.34 118.68 124.57 1pa6 s LEU 148 Ca -0.01 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1pa6 s LEU 148 Cb -0.04 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 1pa6 s LEU 148 CO -0.01 0.32 -0.17 -0.36 0.23 0.00 0.00 176.35 176.36 1pa6 s PHE 149 N -0.56 1.51 0.17 0.29 0.40 0.50 -1.70 117.98 118.59 1pa6 s PHE 149 Ca 0.08 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 55.80 1pa6 s PHE 149 Cb -0.12 -0.95 -0.07 0.00 0.51 0.00 0.00 43.02 42.39 1pa6 s PHE 149 CO 0.02 0.00 1.07 0.45 0.70 0.00 0.00 175.22 177.46 1pa6 s SER 150 N -0.63 7.33 -0.08 1.36 0.15 -1.26 -1.19 113.70 119.37 1pa6 s SER 150 Ca 0.06 2.04 -0.00 0.00 0.70 0.00 0.00 55.95 58.74 1pa6 s SER 150 Cb -0.07 -2.60 -0.25 0.00 -1.71 0.00 0.00 66.02 61.38 1pa6 s SER 150 CO 0.00 -0.17 0.51 0.74 1.20 0.00 0.00 173.24 175.52 1pa6 h THR 151 N 3.73 0.74 -3.86 6.45 2.02 -1.88 -3.46 112.91 116.65 1pa6 h THR 151 Ca -0.44 -2.50 -0.46 0.00 0.77 0.00 0.00 66.41 63.78 1pa6 h THR 151 Cb 1.21 2.51 0.11 0.00 -1.74 0.00 0.00 68.15 70.24 1pa6 h THR 151 CO 0.72 0.76 0.33 -1.81 0.37 0.00 0.00 175.52 175.89 1pa6 s ASP 152 N -6.74 4.08 0.19 4.18 1.01 -1.26 -4.96 116.67 113.16 1pa6 s ASP 152 Ca -0.15 0.36 -0.15 0.00 0.71 0.00 0.00 52.55 53.32 1pa6 s ASP 152 Cb 0.07 -0.73 0.17 0.00 1.01 0.00 0.00 42.92 43.45 1pa6 s ASP 152 CO 0.80 -2.11 1.66 0.11 0.21 0.00 0.00 175.17 175.84 1pa6 h LYS 153 N -1.07 0.04 -6.28 8.23 1.79 -2.04 -3.42 116.57 113.81 1pa6 h LYS 153 Ca -0.44 -0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.43 1pa6 h LYS 153 Cb 1.28 -0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.80 1pa6 h LYS 153 CO 0.51 0.03 -0.72 1.03 -1.08 0.00 0.00 179.45 179.22 1pa6 s ARG 154 N -6.20 1.92 0.66 3.15 0.52 -1.26 -4.64 118.95 113.10 1pa6 s ARG 154 Ca -0.14 -1.56 -0.07 0.00 -0.52 0.00 0.00 55.73 53.45 1pa6 s ARG 154 Cb 0.16 -1.96 0.04 0.00 0.52 0.00 0.00 34.95 33.71 1pa6 s ARG 154 CO 0.72 0.36 0.98 -1.54 0.02 0.00 0.00 175.30 175.84 1pa6 s SER 155 N -3.38 5.11 0.13 0.23 1.04 -1.26 -4.82 113.70 110.75 1pa6 s SER 155 Ca 0.29 0.58 -0.20 0.00 0.48 0.00 0.00 55.95 57.10 1pa6 s SER 155 Cb -0.06 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.69 1pa6 s SER 155 CO 0.16 -1.40 1.70 0.58 0.98 0.00 0.00 173.24 175.26 1pa6 h VAL 156 N -0.46 0.77 -0.87 5.02 2.07 -1.99 -1.13 116.25 119.67 1pa6 h VAL 156 Ca -0.45 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1pa6 h VAL 156 Cb 1.29 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1pa6 h VAL 156 CO 0.61 0.00 0.56 0.74 0.02 0.00 0.00 177.57 179.50 1pa6 h THR 157 N -0.00 1.15 -0.70 2.57 2.02 -1.99 -1.41 112.91 114.55 1pa6 h THR 157 Ca 0.11 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1pa6 h THR 157 Cb 0.16 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1pa6 h THR 157 CO -0.23 0.20 0.17 1.56 0.37 0.00 0.00 175.52 177.60 1pa6 h GLN 158 N 1.10 1.12 -0.20 6.66 4.20 -1.75 -1.76 115.11 124.47 1pa6 h GLN 158 Ca 0.34 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 1pa6 h GLN 158 Cb -0.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1pa6 h GLN 158 CO -0.11 0.98 -0.31 0.93 -0.67 0.00 0.00 178.83 179.65 1pa6 h GLU 159 N 1.06 0.41 -0.22 1.46 5.08 -0.69 0.49 114.58 122.17 1pa6 h GLU 159 Ca 0.22 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1pa6 h GLU 159 Cb 0.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1pa6 h GLU 159 CO 0.00 0.69 -0.28 0.82 -1.00 0.00 0.00 179.01 179.24 1pa6 h ILE 160 N 0.36 1.27 -0.07 3.13 2.04 -0.84 -2.79 117.51 120.60 1pa6 h ILE 160 Ca 0.05 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1pa6 h ILE 160 Cb 0.73 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1pa6 h ILE 160 CO 0.06 0.40 0.00 0.59 0.00 0.00 0.00 178.15 179.20 1pa6 n ASN 161 N -4.11 3.04 -3.48 1.72 3.02 -0.70 -4.98 115.26 109.77 1pa6 n ASN 161 Ca -0.01 -1.99 -0.23 0.00 -0.03 0.00 0.00 54.58 52.32 1pa6 n ASN 161 Cb 0.41 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.60 1pa6 n ASN 161 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1pa6 n ASN 162 N 1.36 -5.99 -4.51 6.41 5.15 0.13 -5.01 115.26 112.80 1pa6 n ASN 162 Ca 0.15 -0.84 -0.24 0.00 -0.60 0.00 0.00 54.58 53.05 1pa6 n ASN 162 Cb 0.60 -4.13 -0.09 0.00 -0.53 0.00 0.00 39.78 35.63 1pa6 n ASN 162 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1pa6 s GLN 163 N -5.16 1.84 -0.00 1.20 -0.21 0.85 -5.02 119.66 113.16 1pa6 s GLN 163 Ca 0.42 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 54.17 1pa6 s GLN 163 Cb -0.11 -1.90 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 1pa6 s GLN 163 CO 0.81 0.35 0.06 -0.51 -2.12 0.00 0.00 175.29 173.88 1pa6 s ASP 164 N -3.44 5.52 0.15 5.90 1.01 -1.26 -4.61 116.67 119.94 1pa6 s ASP 164 Ca 0.29 0.10 -0.30 0.00 0.71 0.00 0.00 52.55 53.35 1pa6 s ASP 164 Cb -0.06 -1.55 -0.07 0.00 1.01 0.00 0.00 42.92 42.25 1pa6 s ASP 164 CO 0.16 0.27 1.12 0.00 0.21 0.00 0.00 175.17 176.94 1pa6 s ALA 165 N -1.17 3.37 0.32 5.23 0.00 -1.26 -4.92 121.76 123.34 1pa6 s ALA 165 Ca 0.22 0.82 0.09 0.00 0.00 0.00 0.00 51.96 53.09 1pa6 s ALA 165 Cb -0.12 -3.38 0.94 0.00 0.00 0.00 0.00 23.12 20.57 1pa6 s ALA 165 CO 0.13 -0.27 1.64 0.28 0.00 0.00 0.00 175.76 177.54 1pa6 h VAL 166 N 3.94 0.25 -1.53 0.00 2.07 -1.97 -3.44 116.25 115.57 1pa6 h VAL 166 Ca -0.44 -0.08 0.27 0.00 0.82 0.00 0.00 66.70 67.28 1pa6 h VAL 166 Cb 1.21 0.01 -0.16 0.00 -1.52 0.00 0.00 31.29 30.84 1pa6 h VAL 166 CO 0.74 0.04 0.79 -0.94 0.02 0.00 0.00 177.57 178.23 1pa6 s SER 167 N -4.94 -0.11 0.00 0.57 1.04 -1.26 -5.01 113.70 103.98 1pa6 s SER 167 Ca -0.11 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1pa6 s SER 167 Cb 0.29 0.17 0.21 0.00 0.10 0.00 0.00 66.02 66.79 1pa6 s SER 167 CO 0.78 -0.30 0.92 0.47 0.98 0.00 0.00 173.24 176.09 1pa6 n ASP 168 N -0.27 0.00 0.00 7.02 8.00 -1.26 -2.31 116.55 127.73 1pa6 n ASP 168 Ca -0.04 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.03 1pa6 n ASP 168 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1pa6 n ASP 168 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pa6 n THR 169 N -0.57 0.50 -3.55 -3.53 -2.24 -1.26 -4.99 114.28 98.65 1pa6 n THR 169 Ca 0.03 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.80 1pa6 n THR 169 Cb 0.01 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.00 1pa6 n THR 169 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pa6 s THR 170 N -0.50 5.31 0.18 4.28 2.01 -0.98 -4.91 115.64 121.03 1pa6 s THR 170 Ca 0.00 0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 1pa6 s THR 170 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 1pa6 s THR 170 CO 0.00 0.39 1.11 -2.84 -0.69 0.00 0.00 174.62 172.59 1pa6 s PRO 171 N 0.46 4.58 0.00 4.92 0.02 -1.26 -4.73 135.00 138.99 1pa6 s PRO 171 Ca 0.16 1.73 0.28 0.00 0.02 0.00 0.00 61.00 63.19 1pa6 s PRO 171 Cb -0.13 -3.27 1.07 0.00 0.02 0.00 0.00 34.50 32.19 1pa6 s PRO 171 CO 0.03 0.06 1.79 1.97 -0.33 0.00 0.00 177.00 180.52 1pa6 n PHE 172 N 2.39 0.00 -3.58 6.54 1.16 -0.69 -4.86 117.46 118.43 1pa6 n PHE 172 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.48 1pa6 n PHE 172 Cb 0.46 -0.33 -0.06 0.00 -1.61 0.00 0.00 39.48 37.94 1pa6 n PHE 172 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1pa6 s SER 173 N -2.82 -0.53 0.01 5.98 0.15 -1.25 -5.02 113.70 110.22 1pa6 s SER 173 Ca 0.18 0.75 -0.28 0.00 0.70 0.00 0.00 55.95 57.30 1pa6 s SER 173 Cb 0.19 0.66 0.10 0.00 -1.71 0.00 0.00 66.02 65.26 1pa6 s SER 173 CO 0.55 -0.37 0.91 0.72 1.20 0.00 0.00 173.24 176.24 1pa6 s PHE 174 N -0.65 -0.31 0.34 3.44 -0.12 -1.26 -0.16 117.98 119.25 1pa6 s PHE 174 Ca -0.03 0.16 -0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1pa6 s PHE 174 Cb -0.02 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1pa6 s PHE 174 CO 0.03 -0.57 0.57 -1.54 -0.05 0.00 0.00 175.22 173.66 1pa6 s SER 175 N -2.53 6.35 0.07 1.98 1.04 -0.72 -4.96 113.70 114.92 1pa6 s SER 175 Ca 0.06 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1pa6 s SER 175 Cb -0.01 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1pa6 s SER 175 CO -0.08 -0.28 0.00 -1.54 0.98 0.00 0.00 173.24 172.32 1pa6 n SER 176 N -1.49 -1.45 0.11 7.02 3.41 -1.26 -4.51 113.62 115.44 1pa6 n SER 176 Ca -0.03 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1pa6 n SER 176 Cb 0.55 -0.70 0.21 0.00 -0.26 0.00 0.00 64.21 64.01 1pa6 n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1pa6 h LYS 177 N 0.00 0.00 -4.61 4.33 1.57 -2.03 -3.47 116.57 112.36 1pa6 h LYS 177 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.51 1pa6 h LYS 177 Cb 0.21 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.31 1pa6 h LYS 177 CO 0.00 0.00 -0.73 -1.01 -0.57 0.00 0.00 179.45 177.14 1pa6 s HIS 178 N -3.19 0.71 -0.03 -1.35 3.76 -1.26 -5.14 115.29 108.79 1pa6 s HIS 178 Ca 0.07 -0.52 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1pa6 s HIS 178 Cb 0.11 -0.42 0.03 0.00 1.11 0.00 0.00 32.58 33.41 1pa6 s HIS 178 CO 0.69 -0.08 0.02 0.00 -0.85 0.00 0.00 174.74 174.52 1pa6 s ALA 179 N -1.50 0.30 -0.07 -1.40 0.00 -1.26 -4.91 121.76 112.91 1pa6 s ALA 179 Ca -0.08 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.09 1pa6 s ALA 179 Cb -0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1pa6 s ALA 179 CO 0.00 -0.20 -0.25 0.99 0.00 0.00 0.00 175.76 176.30 1pa6 s THR 180 N 1.36 2.06 -0.28 0.00 2.01 -1.26 -5.08 115.64 114.44 1pa6 s THR 180 Ca -0.05 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 1pa6 s THR 180 Cb -0.13 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.68 1pa6 s THR 180 CO -0.03 0.57 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 1pa6 s ILE 181 N 0.03 2.68 0.70 1.82 1.09 -1.26 -5.11 121.20 121.15 1pa6 s ILE 181 Ca -0.09 -1.46 -0.12 0.00 -1.10 0.00 0.00 60.65 57.88 1pa6 s ILE 181 Cb -0.15 -2.54 0.01 0.00 -1.06 0.00 0.00 42.46 38.72 1pa6 s ILE 181 CO 0.06 -0.06 1.07 -1.61 -0.10 0.00 0.00 174.94 174.30 1pa6 s GLU 182 N 1.20 2.80 0.31 2.79 0.41 -1.26 -4.96 118.70 119.99 1pa6 s GLU 182 Ca -0.06 1.08 0.02 0.00 -0.41 0.00 0.00 54.97 55.60 1pa6 s GLU 182 Cb -0.20 -1.97 0.58 0.00 -1.78 0.00 0.00 34.13 30.77 1pa6 s GLU 182 CO -0.03 -1.22 1.91 0.87 -0.49 0.00 0.00 175.26 176.30 1pa6 h LYS 183 N -0.61 0.94 0.00 1.61 1.79 -2.03 -2.15 116.57 116.11 1pa6 h LYS 183 Ca -0.44 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 57.93 1pa6 h LYS 183 Cb 1.22 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1pa6 h LYS 183 CO 0.55 0.62 -0.18 -2.95 -1.08 0.00 0.00 179.45 176.41 1pa6 h ASN 184 N 0.97 0.00 0.27 0.86 -1.07 -2.03 -2.86 115.58 111.72 1pa6 h ASN 184 Ca 0.39 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.62 1pa6 h ASN 184 Cb 0.27 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.51 1pa6 h ASN 184 CO -0.15 0.18 -0.56 -0.33 0.07 0.00 0.00 177.43 176.63 1pa6 h GLU 185 N 0.00 0.30 -0.92 4.14 5.08 -1.76 -3.26 114.58 118.16 1pa6 h GLU 185 Ca -0.00 -0.19 0.27 0.00 -1.00 0.00 0.00 59.36 58.43 1pa6 h GLU 185 Cb 0.44 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.56 1pa6 h GLU 185 CO 0.02 0.78 0.21 0.82 -1.00 0.00 0.00 179.01 179.85 1pa6 h ILE 186 N 0.23 0.20 -0.57 3.13 2.04 -1.54 0.33 117.51 121.32 1pa6 h ILE 186 Ca 0.00 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1pa6 h ILE 186 Cb 1.06 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1pa6 h ILE 186 CO 0.09 0.02 0.14 0.77 0.00 0.00 0.00 178.15 179.17 1pa6 h SER 187 N 0.13 0.87 -0.38 1.72 4.64 -1.76 -0.09 113.55 118.68 1pa6 h SER 187 Ca 0.60 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1pa6 h SER 187 Cb 1.27 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1pa6 h SER 187 CO -0.74 0.87 0.25 0.40 -0.87 0.00 0.00 176.83 176.74 1pa6 h ILE 188 N 0.82 1.11 -0.41 0.95 2.04 -0.56 -0.88 117.51 120.58 1pa6 h ILE 188 Ca 0.18 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1pa6 h ILE 188 Cb 0.34 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1pa6 h ILE 188 CO 0.00 0.11 -0.05 0.25 0.00 0.00 0.00 178.15 178.46 1pa6 h LEU 189 N 0.51 0.76 -0.52 1.44 5.85 -0.98 -0.64 115.31 121.74 1pa6 h LEU 189 Ca 0.14 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 1pa6 h LEU 189 Cb -0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1pa6 h LEU 189 CO -0.03 0.91 0.02 1.56 -0.34 0.00 0.00 178.44 180.56 1pa6 h GLN 190 N 0.59 0.91 -0.37 1.25 4.20 -0.88 -2.11 115.11 118.70 1pa6 h GLN 190 Ca 0.11 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1pa6 h GLN 190 Cb 0.55 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1pa6 h GLN 190 CO 0.03 0.92 -0.01 -0.91 -0.67 0.00 0.00 178.83 178.20 1pa6 h ASN 191 N 0.78 0.64 -0.88 1.46 2.35 -1.13 -2.06 115.58 116.75 1pa6 h ASN 191 Ca 0.15 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1pa6 h ASN 191 Cb 0.50 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1pa6 h ASN 191 CO 0.02 0.80 0.58 0.25 -1.65 0.00 0.00 177.43 177.44 1pa6 h LEU 192 N 0.47 1.01 -0.46 1.61 5.85 -1.01 -0.33 115.31 122.44 1pa6 h LEU 192 Ca 0.10 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1pa6 h LEU 192 Cb 0.48 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1pa6 h LEU 192 CO 0.02 0.72 0.15 0.03 -0.34 0.00 0.00 178.44 179.02 1pa6 h ARG 193 N 1.19 0.71 -0.93 1.25 3.08 -1.20 0.22 114.38 118.70 1pa6 h ARG 193 Ca 0.33 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1pa6 h ARG 193 Cb -0.12 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.78 1pa6 h ARG 193 CO -0.07 0.68 0.60 -0.22 -1.07 0.00 0.00 179.97 179.89 1pa6 h LYS 194 N 0.61 1.24 -0.20 0.04 3.64 -0.62 -1.84 116.57 119.44 1pa6 h LYS 194 Ca 0.15 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1pa6 h LYS 194 Cb 0.26 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1pa6 h LYS 194 CO -0.01 0.83 -0.21 2.35 -2.27 0.00 0.00 179.45 180.15 1pa6 h TRP 195 N 1.27 0.59 -0.75 1.91 7.01 -0.69 -2.76 115.95 122.52 1pa6 h TRP 195 Ca 0.34 -0.18 0.07 0.00 2.11 0.00 0.00 58.89 61.23 1pa6 h TRP 195 Cb -0.12 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 26.76 1pa6 h TRP 195 CO 0.00 0.85 0.43 0.00 -2.79 0.00 0.00 178.44 176.93 1pa6 h ALA 196 N 0.64 1.04 -0.39 2.65 0.00 -0.12 0.28 119.26 123.35 1pa6 h ALA 196 Ca 0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1pa6 h ALA 196 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pa6 h ALA 196 CO 0.05 0.09 -0.05 -0.91 0.00 0.00 0.00 179.25 178.43 1pa6 h ASN 197 N 0.76 0.72 -0.50 0.00 2.35 -1.35 -0.42 115.58 117.13 1pa6 h ASN 197 Ca 0.35 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1pa6 h ASN 197 Cb 0.26 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1pa6 h ASN 197 CO -0.21 0.89 0.26 1.56 -1.65 0.00 0.00 177.43 178.28 1pa6 h GLN 198 N 0.53 0.50 0.77 0.81 4.20 -1.06 -0.35 115.11 120.51 1pa6 h GLN 198 Ca 0.10 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1pa6 h GLN 198 Cb 0.55 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1pa6 h GLN 198 CO 0.03 0.33 -0.45 -0.92 -0.67 0.00 0.00 178.83 177.15 1pa6 h TYR 199 N 0.51 -1.18 0.00 2.96 3.20 -0.25 -1.21 116.97 120.99 1pa6 h TYR 199 Ca 0.22 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1pa6 h TYR 199 Cb 0.11 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 1pa6 h TYR 199 CO -0.10 -0.68 -0.04 0.74 -1.64 0.00 0.00 178.16 176.44 1pa6 h PHE 200 N -1.13 0.00 0.00 -3.82 -1.00 -0.93 0.68 116.94 110.75 1pa6 h PHE 200 Ca -0.10 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 1pa6 h PHE 200 Cb 0.90 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.45 1pa6 h PHE 200 CO -0.06 0.04 -1.03 0.66 -1.61 0.00 0.00 178.31 176.32 1pa6 h SER 201 N 0.00 0.00 0.30 2.17 4.64 -0.94 0.61 113.55 120.33 1pa6 h SER 201 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1pa6 h SER 201 Cb 0.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 1pa6 h SER 201 CO 0.01 0.12 -1.97 -1.20 -0.87 0.00 0.00 176.83 172.91 1pa6 n SER 202 N -2.74 0.60 -4.39 4.97 7.64 -0.47 -4.57 113.62 114.65 1pa6 n SER 202 Ca -0.02 0.26 -0.20 0.00 1.01 0.00 0.00 58.87 59.92 1pa6 n SER 202 Cb 0.61 0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 64.00 1pa6 n SER 202 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pa6 s TYR 203 N -2.56 1.80 0.10 1.43 1.51 0.15 -5.05 117.35 114.74 1pa6 s TYR 203 Ca -0.07 -0.80 0.19 0.00 -1.01 0.00 0.00 57.07 55.38 1pa6 s TYR 203 Cb 0.07 -1.05 0.61 0.00 -0.11 0.00 0.00 41.96 41.48 1pa6 s TYR 203 CO 0.82 0.15 1.70 0.77 -1.11 0.00 0.00 175.55 177.88 1pa6 h SER 204 N 2.34 0.00 0.00 2.29 0.02 -1.86 -3.41 113.55 112.94 1pa6 h SER 204 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1pa6 h SER 204 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1pa6 h SER 204 CO 0.66 0.37 0.00 0.52 -1.14 0.00 0.00 176.83 177.25 1pa6 n VAL 205 N -3.45 0.00 -2.76 2.27 0.31 -1.26 -4.55 118.33 108.88 1pa6 n VAL 205 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.91 1pa6 n VAL 205 Cb 0.54 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 1pa6 n VAL 205 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1pa6 s ILE 206 N 0.00 4.38 0.86 2.52 -1.09 -1.26 -4.59 121.20 122.03 1pa6 s ILE 206 Ca 0.00 -1.30 -0.11 0.00 -2.23 0.00 0.00 60.65 57.00 1pa6 s ILE 206 Cb 0.00 -4.92 0.11 0.00 -1.58 0.00 0.00 42.46 36.07 1pa6 s ILE 206 CO 0.00 -1.71 1.09 -0.94 -1.23 0.00 0.00 174.94 172.15 1pa6 s SER 207 N 4.18 3.77 0.49 3.58 1.04 -1.26 -4.86 113.70 120.64 1pa6 s SER 207 Ca 0.40 1.50 0.24 0.00 0.48 0.00 0.00 55.95 58.56 1pa6 s SER 207 Cb -0.02 -2.19 1.29 0.00 0.10 0.00 0.00 66.02 65.20 1pa6 s SER 207 CO -0.09 -2.45 1.93 0.77 0.98 0.00 0.00 173.24 174.38 1pa6 h SER 208 N -1.42 0.15 0.02 7.02 4.64 -1.92 0.52 113.55 122.55 1pa6 h SER 208 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1pa6 h SER 208 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1pa6 h SER 208 CO 0.55 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1pa6 n ASP 209 N -4.39 0.00 -1.31 4.97 5.75 -1.26 -3.07 116.55 117.24 1pa6 n ASP 209 Ca 0.15 -0.75 0.11 0.00 -0.01 0.00 0.00 54.79 54.28 1pa6 n ASP 209 Cb 0.70 -0.01 0.31 0.00 -1.03 0.00 0.00 41.12 41.09 1pa6 n ASP 209 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1pa6 n MET 210 N -1.01 2.88 -3.81 0.11 2.81 0.18 -4.99 117.12 113.29 1pa6 n MET 210 Ca 0.18 -2.64 -0.05 0.00 -1.81 0.00 0.00 57.70 53.39 1pa6 n MET 210 Cb 0.09 -1.58 -0.01 0.00 -0.71 0.00 0.00 33.22 31.01 1pa6 n MET 210 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1pa6 s TYR 211 N -1.12 -0.10 -0.05 2.03 -0.85 -1.17 -4.68 117.35 111.40 1pa6 s TYR 211 Ca 0.47 -0.30 0.06 0.00 -0.52 0.00 0.00 57.07 56.77 1pa6 s TYR 211 Cb 0.25 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 43.27 1pa6 s TYR 211 CO 0.30 -1.05 -0.23 0.99 -1.52 0.00 0.00 175.55 174.05 1pa6 s THR 212 N -3.29 1.87 0.14 -3.49 2.01 -0.17 -4.94 115.64 107.78 1pa6 s THR 212 Ca 0.13 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 1pa6 s THR 212 Cb -0.03 -1.59 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 1pa6 s THR 212 CO 0.05 0.52 1.46 0.00 -0.69 0.00 0.00 174.62 175.97 1pa6 s ALA 213 N -0.13 3.67 0.42 7.40 0.00 -1.26 -4.66 121.76 127.20 1pa6 s ALA 213 Ca -0.03 1.23 0.20 0.00 0.00 0.00 0.00 51.96 53.37 1pa6 s ALA 213 Cb -0.13 -3.57 1.16 0.00 0.00 0.00 0.00 23.12 20.58 1pa6 s ALA 213 CO 0.03 -0.69 1.79 -0.07 0.00 0.00 0.00 175.76 176.83 1pa6 h LEU 214 N 6.66 0.38 0.00 0.00 3.38 -1.94 0.23 115.31 124.02 1pa6 h LEU 214 Ca -0.43 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1pa6 h LEU 214 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1pa6 h LEU 214 CO 0.88 0.09 0.00 -0.46 0.09 0.00 0.00 178.44 179.04 1pa6 n ASN 215 N -4.55 0.00 -0.03 -0.43 6.94 -1.26 -2.01 115.26 113.92 1pa6 n ASN 215 Ca 0.24 -0.65 0.02 0.00 -0.02 0.00 0.00 54.58 54.17 1pa6 n ASN 215 Cb 0.89 -0.06 0.03 0.00 -2.36 0.00 0.00 39.78 38.27 1pa6 n ASN 215 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1pa6 n LYS 216 N -1.06 2.24 0.18 -3.83 4.76 0.78 -4.76 118.16 116.47 1pa6 n LYS 216 Ca 0.18 -1.57 0.04 0.00 -2.87 0.00 0.00 58.31 54.09 1pa6 n LYS 216 Cb 0.11 -1.02 0.47 0.00 -1.84 0.00 0.00 35.03 32.75 1pa6 n LYS 216 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pa6 h ALA 217 N 0.00 1.65 0.00 7.82 0.00 -1.04 -2.58 119.26 125.10 1pa6 h ALA 217 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pa6 h ALA 217 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1pa6 h ALA 217 CO 0.00 0.26 0.00 0.94 0.00 0.00 0.00 179.25 180.45 1pa6 n GLN 218 N -4.32 0.13 0.05 0.00 7.27 -1.26 -3.09 117.38 116.16 1pa6 n GLN 218 Ca -0.02 0.07 0.12 0.00 0.07 0.00 0.00 57.00 57.24 1pa6 n GLN 218 Cb 0.24 -1.50 0.11 0.00 2.41 0.00 0.00 30.24 31.50 1pa6 n GLN 218 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pa6 n ALA 219 N -1.42 3.02 -1.77 1.69 0.00 -0.97 -4.91 120.51 116.14 1pa6 n ALA 219 Ca 0.08 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 1pa6 n ALA 219 Cb 0.26 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1pa6 n ALA 219 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1pa6 s GLN 220 N -3.20 3.53 -0.10 0.00 -1.52 -1.18 -4.96 119.66 112.23 1pa6 s GLN 220 Ca 0.05 1.83 -0.25 0.00 -1.95 0.00 0.00 55.36 55.03 1pa6 s GLN 220 Cb 0.13 -2.28 -0.21 0.00 -0.22 0.00 0.00 33.01 30.43 1pa6 s GLN 220 CO 0.75 -0.76 0.84 0.87 -0.25 0.00 0.00 175.29 176.74 1pa6 h LYS 221 N 1.72 -0.03 0.00 2.91 1.57 -1.91 -3.49 116.57 117.34 1pa6 h LYS 221 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1pa6 h LYS 221 Cb 1.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1pa6 h LYS 221 CO 0.59 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.57 1pa6 n GLY 222 N 1.16 2.72 3.91 3.86 0.00 -1.26 -5.07 105.19 110.51 1pa6 n GLY 222 Ca -0.09 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 1pa6 n GLY 222 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pa6 s ASP 223 N 1.00 5.34 0.04 1.61 -4.77 -1.26 -4.64 116.67 113.99 1pa6 s ASP 223 Ca 0.00 0.77 -0.27 0.00 -3.30 0.00 0.00 52.55 49.75 1pa6 s ASP 223 Cb 0.00 -1.62 0.08 0.00 -1.09 0.00 0.00 42.92 40.30 1pa6 s ASP 223 CO 0.00 -1.28 0.73 0.72 0.70 0.00 0.00 175.17 176.03 1pa6 s PHE 224 N -3.16 -0.50 0.49 2.11 -0.12 0.68 -4.88 117.98 112.58 1pa6 s PHE 224 Ca 0.57 0.50 -0.04 0.00 -0.05 0.00 0.00 56.93 57.90 1pa6 s PHE 224 Cb -0.11 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.78 1pa6 s PHE 224 CO 0.47 -0.67 0.76 -0.51 -0.05 0.00 0.00 175.22 175.22 1pa6 s ASP 225 N -2.20 6.04 0.06 1.98 1.01 -1.26 -1.06 116.67 121.23 1pa6 s ASP 225 Ca -0.01 0.71 0.01 0.00 0.71 0.00 0.00 52.55 53.98 1pa6 s ASP 225 Cb -0.01 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 1pa6 s ASP 225 CO -0.06 -0.68 -0.06 -0.69 0.21 0.00 0.00 175.17 173.90 1pa6 s VAL 226 N -2.72 0.45 -0.22 -1.27 1.01 -0.76 -1.00 120.40 115.89 1pa6 s VAL 226 Ca 0.48 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1pa6 s VAL 226 Cb -0.10 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.29 1pa6 s VAL 226 CO 0.43 -0.68 0.08 -0.69 0.00 0.00 0.00 175.10 174.24 1pa6 s VAL 227 N -2.59 0.21 0.20 2.92 1.01 -1.26 -0.59 120.40 120.29 1pa6 s VAL 227 Ca -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1pa6 s VAL 227 Cb -0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1pa6 s VAL 227 CO -0.03 -0.40 0.22 0.00 0.00 0.00 0.00 175.10 174.88 1pa6 s ALA 228 N 1.99 0.72 -0.08 5.51 0.00 -0.78 -4.40 121.76 124.71 1pa6 s ALA 228 Ca 0.03 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 1pa6 s ALA 228 Cb -0.16 1.22 -0.05 0.00 0.00 0.00 0.00 23.12 24.13 1pa6 s ALA 228 CO -0.16 -0.65 0.26 0.21 0.00 0.00 0.00 175.76 175.42 1pa6 s LYS 229 N -4.10 3.72 -0.54 0.00 2.20 0.21 -1.41 119.74 119.81 1pa6 s LYS 229 Ca 0.32 0.10 -0.26 0.00 -0.36 0.00 0.00 55.97 55.77 1pa6 s LYS 229 Cb 0.05 -3.23 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 1pa6 s LYS 229 CO 0.09 0.68 1.03 0.42 -0.36 0.00 0.00 175.35 177.21 1pa6 s ILE 230 N -0.88 4.28 0.04 5.43 1.01 0.79 -2.07 121.20 129.80 1pa6 s ILE 230 Ca 0.18 0.60 0.10 0.00 0.00 0.00 0.00 60.65 61.53 1pa6 s ILE 230 Cb -0.14 -4.58 -0.20 0.00 0.01 0.00 0.00 42.46 37.55 1pa6 s ILE 230 CO 0.07 -1.13 1.05 -0.07 0.00 0.00 0.00 174.94 174.87 1pa6 h LEU 231 N 11.21 0.00 -7.18 2.97 4.07 -1.07 0.77 115.31 126.08 1pa6 h LEU 231 Ca -0.25 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.63 1pa6 h LEU 231 Cb 1.07 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.60 1pa6 h LEU 231 CO 1.11 0.96 -0.02 -1.58 -1.08 0.00 0.00 178.44 177.83 1pa6 s GLN 232 N -2.69 0.79 -0.28 1.13 0.74 -1.21 -4.68 119.66 113.46 1pa6 s GLN 232 Ca -0.01 0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.85 1pa6 s GLN 232 Cb 0.09 0.37 0.08 0.00 1.10 0.00 0.00 33.01 34.65 1pa6 s GLN 232 CO 0.82 -0.18 -0.02 0.08 -0.55 0.00 0.00 175.29 175.44 1pa6 s VAL 233 N -0.50 1.85 -0.20 1.34 1.01 -1.26 -1.04 120.40 121.61 1pa6 s VAL 233 Ca -0.06 -1.69 -0.08 0.00 0.00 0.00 0.00 61.98 60.15 1pa6 s VAL 233 Cb -0.03 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1pa6 s VAL 233 CO 0.04 -0.30 0.08 -2.28 0.00 0.00 0.00 175.10 172.65 1pa6 s HIS 234 N 1.19 3.24 -0.68 5.22 5.04 -0.65 -4.94 115.29 123.72 1pa6 s HIS 234 Ca 0.00 0.05 -0.26 0.00 -1.54 0.00 0.00 55.06 53.31 1pa6 s HIS 234 Cb -0.19 -2.13 0.04 0.00 0.04 0.00 0.00 32.58 30.35 1pa6 s HIS 234 CO -0.08 0.09 1.16 -2.00 -2.34 0.00 0.00 174.74 171.56 1pa6 s GLU 235 N 0.61 3.22 0.03 2.88 2.12 -1.26 0.30 118.70 126.60 1pa6 s GLU 235 Ca 0.04 -0.33 -0.21 0.00 0.36 0.00 0.00 54.97 54.83 1pa6 s GLU 235 Cb -0.13 -4.16 -0.16 0.00 0.26 0.00 0.00 34.13 29.94 1pa6 s GLU 235 CO 0.01 -1.94 1.31 1.25 -0.54 0.00 0.00 175.26 175.35 1pa6 h LEU 236 N 12.27 0.34 0.00 2.70 5.85 -1.62 -3.45 115.31 131.40 1pa6 h LEU 236 Ca -0.28 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 57.90 1pa6 h LEU 236 Cb 1.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1pa6 h LEU 236 CO 1.23 0.78 0.01 -0.90 -0.34 0.00 0.00 178.44 179.22 1pa6 n ASP 237 N -4.57 -0.31 0.28 1.25 5.68 -1.10 -4.90 116.55 112.88 1pa6 n ASP 237 Ca -0.07 -1.31 0.18 0.00 -0.50 0.00 0.00 54.79 53.10 1pa6 n ASP 237 Cb 0.37 0.54 0.94 0.00 -1.14 0.00 0.00 41.12 41.83 1pa6 n ASP 237 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1pa6 h GLU 238 N 0.00 0.00 0.00 0.11 4.81 -1.94 -3.14 114.58 114.42 1pa6 h GLU 238 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1pa6 h GLU 238 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1pa6 h GLU 238 CO 0.07 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.01 1pa6 n TYR 239 N -3.40 0.00 -4.72 0.92 4.02 -1.26 -4.97 117.16 107.75 1pa6 n TYR 239 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 1pa6 n TYR 239 Cb 0.26 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.41 1pa6 n TYR 239 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1pa6 s THR 240 N -0.41 1.72 0.09 -0.72 2.01 -1.19 -1.22 115.64 115.92 1pa6 s THR 240 Ca 0.00 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1pa6 s THR 240 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1pa6 s THR 240 CO 0.00 0.48 0.27 0.20 -0.69 0.00 0.00 174.62 174.88 1pa6 s ASN 241 N 0.73 6.40 -0.29 3.53 0.01 0.50 -1.58 114.94 124.25 1pa6 s ASN 241 Ca -0.11 0.36 0.01 0.00 -0.71 0.00 0.00 52.86 52.41 1pa6 s ASN 241 Cb -0.16 -2.00 0.06 0.00 0.41 0.00 0.00 41.25 39.56 1pa6 s ASN 241 CO 0.02 0.13 -0.05 -0.70 -1.51 0.00 0.00 177.10 174.99 1pa6 s GLU 242 N -2.60 2.23 0.16 -0.60 2.12 0.15 0.72 118.70 120.88 1pa6 s GLU 242 Ca 0.37 -1.38 -0.29 0.00 0.36 0.00 0.00 54.97 54.03 1pa6 s GLU 242 Cb -0.13 -3.04 -0.07 0.00 0.26 0.00 0.00 34.13 31.15 1pa6 s GLU 242 CO 0.27 -0.64 0.90 -0.51 -0.54 0.00 0.00 175.26 174.74 1pa6 s LEU 243 N 1.14 4.57 -0.50 2.70 1.02 -0.18 -1.63 118.68 125.79 1pa6 s LEU 243 Ca -0.05 1.79 -0.12 0.00 0.02 0.00 0.00 54.13 55.77 1pa6 s LEU 243 Cb -0.20 -3.51 0.12 0.00 0.02 0.00 0.00 46.19 42.63 1pa6 s LEU 243 CO -0.04 0.07 0.41 -0.75 0.02 0.00 0.00 176.35 176.06 1pa6 s LYS 244 N -0.64 2.68 0.19 1.70 2.20 -0.20 -2.40 119.74 123.27 1pa6 s LYS 244 Ca 0.42 -1.74 -0.02 0.00 -0.36 0.00 0.00 55.97 54.26 1pa6 s LYS 244 Cb -0.24 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 1pa6 s LYS 244 CO 0.29 -1.25 0.39 -0.51 -0.36 0.00 0.00 175.35 173.91 1pa6 s LEU 245 N 1.45 4.23 -0.11 5.43 1.43 0.13 -0.44 118.68 130.81 1pa6 s LEU 245 Ca 0.05 0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1pa6 s LEU 245 Cb -0.28 -3.22 0.04 0.00 0.03 0.00 0.00 46.19 42.76 1pa6 s LEU 245 CO 0.01 -0.02 0.26 -0.75 0.23 0.00 0.00 176.35 176.08 1pa6 s LYS 246 N -3.13 0.24 0.04 1.70 2.20 -0.88 -1.12 119.74 118.80 1pa6 s LYS 246 Ca 0.39 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1pa6 s LYS 246 Cb -0.11 -0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1pa6 s LYS 246 CO 0.28 -0.13 0.03 -0.40 -0.36 0.00 0.00 175.35 174.76 1pa6 n ASP 247 N 3.94 1.33 0.20 1.43 5.75 -1.18 0.65 116.55 128.67 1pa6 n ASP 247 Ca -0.22 -1.16 0.08 0.00 -0.01 0.00 0.00 54.79 53.48 1pa6 n ASP 247 Cb 0.54 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 41.24 1pa6 n ASP 247 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pa6 h ALA 248 N 0.80 1.97 0.00 2.12 0.00 -1.93 -2.02 119.26 120.20 1pa6 h ALA 248 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pa6 h ALA 248 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pa6 h ALA 248 CO 0.05 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1pa6 n SER 249 N -4.52 0.00 0.00 0.00 3.41 -1.26 -4.88 113.62 106.37 1pa6 n SER 249 Ca -0.01 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1pa6 n SER 249 Cb 0.11 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1pa6 n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pa6 n GLY 250 N 0.29 1.31 3.76 5.00 0.00 -0.76 -4.91 105.19 109.88 1pa6 n GLY 250 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1pa6 n GLY 250 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pa6 s GLN 251 N -0.30 4.72 -0.16 1.61 -1.52 -1.26 -4.86 119.66 117.88 1pa6 s GLN 251 Ca 0.00 1.52 -0.06 0.00 -1.95 0.00 0.00 55.36 54.87 1pa6 s GLN 251 Cb 0.00 -3.12 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 1pa6 s GLN 251 CO 0.00 0.37 0.02 0.08 -0.25 0.00 0.00 175.29 175.51 1pa6 s VAL 252 N -1.30 4.41 0.11 1.09 1.01 -1.26 -3.12 120.40 121.34 1pa6 s VAL 252 Ca 0.45 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1pa6 s VAL 252 Cb -0.25 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1pa6 s VAL 252 CO 0.32 0.49 -0.09 -0.36 0.00 0.00 0.00 175.10 175.46 1pa6 s PHE 253 N 0.26 1.04 0.26 5.22 0.40 -0.28 -4.67 117.98 120.21 1pa6 s PHE 253 Ca 0.01 -0.79 0.11 0.00 -0.60 0.00 0.00 56.93 55.66 1pa6 s PHE 253 Cb -0.13 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.79 1pa6 s PHE 253 CO 0.01 -0.04 -0.18 0.71 0.70 0.00 0.00 175.22 176.43 1pa6 s TYR 254 N -3.16 2.37 0.07 0.36 1.51 0.64 0.19 117.35 119.32 1pa6 s TYR 254 Ca 0.11 -0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 55.62 1pa6 s TYR 254 Cb 0.02 -1.06 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 1pa6 s TYR 254 CO -0.02 0.66 0.56 -0.08 -1.11 0.00 0.00 175.55 175.56 1pa6 s THR 255 N -2.29 0.02 -0.20 -0.71 -1.32 -1.01 0.41 115.64 110.54 1pa6 s THR 255 Ca 0.28 -0.16 -0.10 0.00 -1.21 0.00 0.00 61.69 60.50 1pa6 s THR 255 Cb -0.06 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 1pa6 s THR 255 CO 0.15 -0.09 0.15 -0.76 -2.21 0.00 0.00 174.62 171.86 1pa6 s LEU 256 N -2.12 4.20 -0.17 9.08 1.43 -1.26 -1.01 118.68 128.84 1pa6 s LEU 256 Ca -0.04 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1pa6 s LEU 256 Cb -0.00 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1pa6 s LEU 256 CO -0.04 0.16 -0.19 -0.55 0.23 0.00 0.00 176.35 175.96 1pa6 s SER 257 N 0.44 3.02 0.13 2.29 0.15 0.22 -4.84 113.70 115.11 1pa6 s SER 257 Ca 0.09 -0.60 -0.31 0.00 0.70 0.00 0.00 55.95 55.82 1pa6 s SER 257 Cb -0.11 -1.41 -0.08 0.00 -1.71 0.00 0.00 66.02 62.71 1pa6 s SER 257 CO -0.01 0.00 1.35 -0.76 1.20 0.00 0.00 173.24 175.02 1pa6 s LEU 258 N 1.25 4.38 0.15 3.45 1.43 -1.26 0.19 118.68 128.26 1pa6 s LEU 258 Ca 0.03 2.30 -0.18 0.00 -1.03 0.00 0.00 54.13 55.25 1pa6 s LEU 258 Cb -0.13 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.53 1pa6 s LEU 258 CO -0.11 -0.60 1.71 0.11 0.23 0.00 0.00 176.35 177.70 1pa6 h LYS 259 N 6.49 0.09 0.00 1.70 1.57 -1.46 -1.63 116.57 123.34 1pa6 h LYS 259 Ca -0.43 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1pa6 h LYS 259 Cb 1.21 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1pa6 h LYS 259 CO 0.84 0.06 -0.13 1.25 -0.57 0.00 0.00 179.45 180.89 1pa6 h LEU 260 N 0.09 0.00 0.15 2.94 5.85 -1.92 -2.65 115.31 119.77 1pa6 h LEU 260 Ca 0.14 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.56 1pa6 h LEU 260 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1pa6 h LEU 260 CO -0.23 0.13 -1.48 0.50 -0.34 0.00 0.00 178.44 177.02 1pa6 h LYS 261 N 0.00 0.31 -2.35 1.25 3.64 -1.83 -3.41 116.57 114.18 1pa6 h LYS 261 Ca -0.00 -0.53 -0.60 0.00 -1.27 0.00 0.00 60.65 58.25 1pa6 h LYS 261 Cb 0.49 0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.09 1pa6 h LYS 261 CO 0.02 1.25 -0.70 1.19 -2.27 0.00 0.00 179.45 178.94 1pa6 n PHE 262 N -3.82 2.63 0.73 1.91 0.99 -0.65 -4.91 117.46 114.33 1pa6 n PHE 262 Ca -0.24 -4.04 0.11 0.00 -0.00 0.00 0.00 57.45 53.28 1pa6 n PHE 262 Cb 0.96 -0.49 0.47 0.00 -1.00 0.00 0.00 39.48 39.42 1pa6 n PHE 262 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1pa6 n PRO 263 N 1.28 0.03 0.00 -1.08 -0.04 -1.00 -3.40 135.00 130.79 1pa6 n PRO 263 Ca 0.26 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1pa6 n PRO 263 Cb 0.42 -1.54 0.50 0.00 -0.04 0.00 0.00 33.50 32.85 1pa6 n PRO 263 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1pa6 n HIS 264 N -1.59 0.00 -1.77 0.54 1.44 -1.26 -4.92 115.22 107.66 1pa6 n HIS 264 Ca 0.05 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.34 1pa6 n HIS 264 Cb 0.27 -0.10 -0.02 0.00 0.12 0.00 0.00 29.99 30.26 1pa6 n HIS 264 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1pa6 s VAL 265 N -2.34 2.08 -0.05 0.61 -7.23 -1.22 -4.99 120.40 107.27 1pa6 s VAL 265 Ca 0.30 0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.51 1pa6 s VAL 265 Cb 0.20 -3.04 0.02 0.00 0.56 0.00 0.00 36.38 34.12 1pa6 s VAL 265 CO 0.45 0.01 0.12 -0.13 -0.31 0.00 0.00 175.10 175.24 1pa6 s ARG 266 N 0.19 0.10 0.40 4.82 1.81 -1.26 -5.09 118.95 119.93 1pa6 s ARG 266 Ca 0.68 0.26 -0.26 0.00 -1.72 0.00 0.00 55.73 54.68 1pa6 s ARG 266 Cb -0.48 -0.07 -0.10 0.00 -0.45 0.00 0.00 34.95 33.85 1pa6 s ARG 266 CO 0.41 -0.09 1.30 2.41 -0.68 0.00 0.00 175.30 178.64 1pa6 n THR 267 N 3.64 2.40 -0.03 0.02 -1.04 -1.26 -2.05 114.28 115.95 1pa6 n THR 267 Ca -0.20 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1pa6 n THR 267 Cb 0.55 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1pa6 n THR 267 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pa6 n GLY 268 N 0.77 2.42 3.93 3.41 0.00 0.27 -5.00 105.19 110.99 1pa6 n GLY 268 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1pa6 n GLY 268 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pa6 s GLU 269 N -0.18 3.51 -0.21 1.61 0.41 -0.87 -4.78 118.70 118.19 1pa6 s GLU 269 Ca 0.00 -0.20 -0.06 0.00 -0.41 0.00 0.00 54.97 54.30 1pa6 s GLU 269 Cb 0.00 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.72 1pa6 s GLU 269 CO 0.00 0.08 0.03 0.08 -0.49 0.00 0.00 175.26 174.96 1pa6 s VAL 270 N -2.38 4.16 0.30 2.63 1.01 -1.26 -0.15 120.40 124.71 1pa6 s VAL 270 Ca 0.42 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.26 1pa6 s VAL 270 Cb -0.10 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1pa6 s VAL 270 CO 0.37 0.41 -0.13 0.68 0.00 0.00 0.00 175.10 176.43 1pa6 s VAL 271 N 1.07 2.22 -0.20 2.92 -7.23 -0.50 -4.12 120.40 114.56 1pa6 s VAL 271 Ca 0.03 -2.27 -0.04 0.00 -1.81 0.00 0.00 61.98 57.89 1pa6 s VAL 271 Cb -0.14 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1pa6 s VAL 271 CO 0.02 -0.32 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.85 1pa6 s ARG 272 N -3.59 3.45 -0.28 4.82 3.52 0.47 -1.87 118.95 125.47 1pa6 s ARG 272 Ca 0.30 -0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 55.18 1pa6 s ARG 272 Cb -0.00 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 1pa6 s ARG 272 CO 0.15 -0.07 0.26 0.42 -0.81 0.00 0.00 175.30 175.24 1pa6 s ILE 273 N 1.16 5.26 -0.39 4.11 1.01 0.24 -0.98 121.20 131.60 1pa6 s ILE 273 Ca 0.02 0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.76 1pa6 s ILE 273 Cb -0.14 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1pa6 s ILE 273 CO -0.01 0.22 0.79 -0.60 0.00 0.00 0.00 174.94 175.34 1pa6 s ARG 274 N 1.87 3.65 -0.11 2.79 6.06 0.12 -1.83 118.95 131.50 1pa6 s ARG 274 Ca 0.10 0.19 -0.05 0.00 -2.50 0.00 0.00 55.73 53.47 1pa6 s ARG 274 Cb -0.16 -3.85 0.02 0.00 0.06 0.00 0.00 34.95 31.02 1pa6 s ARG 274 CO 0.11 -0.95 0.09 0.45 -2.50 0.00 0.00 175.30 172.50 1pa6 n SER 275 N 6.55 -2.23 -4.29 -2.12 2.88 -1.25 -2.01 113.62 111.15 1pa6 n SER 275 Ca 0.03 0.69 -0.16 0.00 -1.33 0.00 0.00 58.87 58.09 1pa6 n SER 275 Cb 0.48 -3.15 -0.10 0.00 -0.75 0.00 0.00 64.21 60.69 1pa6 n SER 275 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pa6 s ALA 276 N -0.47 1.72 0.02 -1.46 0.00 -0.23 -4.40 121.76 116.95 1pa6 s ALA 276 Ca -0.11 -1.85 -0.05 0.00 0.00 0.00 0.00 51.96 49.95 1pa6 s ALA 276 Cb 0.01 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 1pa6 s ALA 276 CO 0.40 -0.47 0.08 0.95 0.00 0.00 0.00 175.76 176.73 1pa6 s THR 277 N -3.76 0.11 0.13 0.00 -4.23 -0.91 -0.23 115.64 106.74 1pa6 s THR 277 Ca 0.38 -0.91 -0.28 0.00 -1.18 0.00 0.00 61.69 59.70 1pa6 s THR 277 Cb 0.08 -0.58 -0.07 0.00 1.34 0.00 0.00 72.50 73.27 1pa6 s THR 277 CO 0.14 -0.50 0.89 -0.47 -0.54 0.00 0.00 174.62 174.14 1pa6 s TYR 278 N -1.90 3.84 -0.51 3.99 5.04 -1.26 -1.36 117.35 125.20 1pa6 s TYR 278 Ca -0.11 1.73 -0.20 0.00 -2.44 0.00 0.00 57.07 56.05 1pa6 s TYR 278 Cb -0.05 -2.95 0.05 0.00 0.35 0.00 0.00 41.96 39.36 1pa6 s TYR 278 CO -0.01 0.30 0.67 0.34 -1.34 0.00 0.00 175.55 175.51 1pa6 s ASP 279 N -0.36 6.24 0.31 4.32 2.15 -1.09 -4.91 116.67 123.34 1pa6 s ASP 279 Ca 0.43 -0.81 0.26 0.00 0.43 0.00 0.00 52.55 52.85 1pa6 s ASP 279 Cb -0.23 -2.31 0.96 0.00 -0.30 0.00 0.00 42.92 41.04 1pa6 s ASP 279 CO 0.28 -0.93 1.77 -0.33 -0.17 0.00 0.00 175.17 175.80 1pa6 h GLU 280 N 9.03 0.00 -0.00 4.34 5.08 -1.95 -3.04 114.58 128.03 1pa6 h GLU 280 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1pa6 h GLU 280 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1pa6 h GLU 280 CO 0.98 0.00 -0.21 0.25 -1.00 0.00 0.00 179.01 179.02 1pa6 n THR 281 N -2.47 0.00 -3.06 1.13 -2.24 -1.26 -4.73 114.28 101.65 1pa6 n THR 281 Ca 0.03 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1pa6 n THR 281 Cb 0.31 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1pa6 n THR 281 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pa6 s SER 282 N -2.80 6.42 -0.20 3.42 0.01 -1.15 -4.86 113.70 114.55 1pa6 s SER 282 Ca 0.19 0.03 0.12 0.00 1.31 0.00 0.00 55.95 57.59 1pa6 s SER 282 Cb 0.19 -2.35 -0.23 0.00 0.21 0.00 0.00 66.02 63.84 1pa6 s SER 282 CO 0.57 -0.72 0.04 1.07 0.41 0.00 0.00 173.24 174.61 1pa6 n THR 283 N 5.78 1.45 0.09 1.44 5.66 -1.26 -4.49 114.28 122.94 1pa6 n THR 283 Ca 0.00 -0.77 -0.07 0.00 -3.05 0.00 0.00 64.05 60.16 1pa6 n THR 283 Cb 0.48 -0.82 0.04 0.00 -1.55 0.00 0.00 70.33 68.47 1pa6 n THR 283 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1pa6 h GLN 284 N 0.00 0.19 -3.57 1.09 1.08 -2.01 -3.47 115.11 108.42 1pa6 h GLN 284 Ca -0.53 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 56.42 1pa6 h GLN 284 Cb 2.12 0.04 -0.13 0.00 -0.05 0.00 0.00 27.48 29.47 1pa6 h GLN 284 CO 0.00 0.88 -0.19 -1.59 -0.95 0.00 0.00 178.83 176.98 1pa6 s LYS 285 N -3.37 1.00 -0.21 1.46 -2.85 -1.26 -4.95 119.74 109.56 1pa6 s LYS 285 Ca -0.03 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 1pa6 s LYS 285 Cb 0.11 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1pa6 s LYS 285 CO 0.81 -0.37 1.02 0.15 0.10 0.00 0.00 175.35 177.07 1pa6 s LYS 286 N -3.84 4.29 -0.03 1.78 -0.14 -1.26 -4.73 119.74 115.81 1pa6 s LYS 286 Ca 0.05 1.34 0.04 0.00 -1.36 0.00 0.00 55.97 56.04 1pa6 s LYS 286 Cb 0.03 -3.62 -0.01 0.00 -1.68 0.00 0.00 37.83 32.55 1pa6 s LYS 286 CO -0.11 -0.56 -0.15 0.08 -0.76 0.00 0.00 175.35 173.85 1pa6 s VAL 287 N 2.93 1.22 -0.08 3.17 1.01 -1.26 -0.26 120.40 127.15 1pa6 s VAL 287 Ca 0.44 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1pa6 s VAL 287 Cb -0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1pa6 s VAL 287 CO 0.08 0.35 -0.00 -0.76 0.00 0.00 0.00 175.10 174.78 1pa6 s LEU 288 N -0.11 3.54 -0.11 3.92 1.43 0.16 -2.66 118.68 124.86 1pa6 s LEU 288 Ca 0.01 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1pa6 s LEU 288 Cb -0.09 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1pa6 s LEU 288 CO 0.01 0.37 0.07 -0.63 0.23 0.00 0.00 176.35 176.39 1pa6 s ILE 289 N -0.89 4.87 0.34 -0.59 1.01 -0.46 -4.23 121.20 121.24 1pa6 s ILE 289 Ca 0.14 -0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.85 1pa6 s ILE 289 Cb -0.11 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 1pa6 s ILE 289 CO 0.03 0.59 -0.03 -0.76 0.00 0.00 0.00 174.94 174.77 1pa6 s LEU 290 N -0.77 2.90 0.46 2.97 1.43 -1.26 -2.14 118.68 122.26 1pa6 s LEU 290 Ca 0.13 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 1pa6 s LEU 290 Cb -0.12 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1pa6 s LEU 290 CO 0.03 -0.21 0.03 -0.44 0.23 0.00 0.00 176.35 175.99 1pa6 s SER 291 N -3.68 3.73 0.54 2.29 0.01 -1.26 -4.99 113.70 110.34 1pa6 s SER 291 Ca 0.34 -1.57 0.29 0.00 1.31 0.00 0.00 55.95 56.32 1pa6 s SER 291 Cb 0.00 0.25 1.54 0.00 0.21 0.00 0.00 66.02 68.03 1pa6 s SER 291 CO 0.18 -0.75 2.11 1.12 0.41 0.00 0.00 173.24 176.31 1pa6 h HIS 292 N 1.58 0.00 0.00 2.43 2.07 -2.00 -2.06 115.15 117.17 1pa6 h HIS 292 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1pa6 h HIS 292 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 1pa6 h HIS 292 CO 1.26 0.09 -0.87 2.48 -3.07 0.00 0.00 177.93 177.82 1pa6 n TYR 293 N -3.61 0.36 -0.65 6.12 0.18 -1.26 -4.79 117.16 113.50 1pa6 n TYR 293 Ca -0.02 0.10 -0.31 0.00 1.88 0.00 0.00 57.90 59.56 1pa6 n TYR 293 Cb 0.21 -0.51 0.18 0.00 -0.38 0.00 0.00 39.34 38.84 1pa6 n TYR 293 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1pa6 n SER 294 N -2.00 -0.22 -3.81 9.48 7.64 -0.78 -1.02 113.62 122.91 1pa6 n SER 294 Ca 0.02 0.32 -0.12 0.00 1.01 0.00 0.00 58.87 60.10 1pa6 n SER 294 Cb 0.43 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.11 1pa6 n SER 294 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1pa6 s ASN 295 N -2.54 -0.14 -0.18 6.43 2.47 -0.85 -3.97 114.94 116.17 1pa6 s ASN 295 Ca 0.66 0.16 -0.02 0.00 0.42 0.00 0.00 52.86 54.08 1pa6 s ASN 295 Cb -0.23 0.35 -0.01 0.00 -1.45 0.00 0.00 41.25 39.91 1pa6 s ASN 295 CO 0.60 -0.26 -0.08 -0.63 -3.72 0.00 0.00 177.10 173.02 1pa6 s ILE 296 N -0.69 3.29 -0.06 -5.21 1.01 -1.26 0.16 121.20 118.44 1pa6 s ILE 296 Ca -0.08 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1pa6 s ILE 296 Cb -0.04 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1pa6 s ILE 296 CO 0.02 0.47 -0.17 -0.63 0.00 0.00 0.00 174.94 174.63 1pa6 s ILE 297 N 0.94 1.45 0.49 2.92 1.01 -0.16 -4.74 121.20 123.11 1pa6 s ILE 297 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1pa6 s ILE 297 Cb -0.15 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.10 1pa6 s ILE 297 CO 0.00 0.42 0.67 0.42 0.00 0.00 0.00 174.94 176.45 1pa6 s THR 298 N 0.32 2.64 0.13 2.92 -4.23 0.54 -0.40 115.64 117.57 1pa6 s THR 298 Ca -0.11 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1pa6 s THR 298 Cb -0.14 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1pa6 s THR 298 CO 0.04 0.00 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.76 1pa6 s PHE 299 N -2.50 2.91 0.81 3.99 0.40 -1.26 0.10 117.98 122.43 1pa6 s PHE 299 Ca 0.58 -0.09 -0.10 0.00 -0.60 0.00 0.00 56.93 56.72 1pa6 s PHE 299 Cb -0.08 -1.46 0.08 0.00 0.51 0.00 0.00 43.02 42.07 1pa6 s PHE 299 CO 0.36 0.49 1.10 0.96 0.70 0.00 0.00 175.22 178.83 1pa6 s ILE 300 N -1.50 3.04 0.41 0.64 -4.36 -1.09 -4.89 121.20 113.46 1pa6 s ILE 300 Ca 0.26 0.34 0.19 0.00 -0.26 0.00 0.00 60.65 61.18 1pa6 s ILE 300 Cb -0.11 -2.73 0.40 0.00 1.25 0.00 0.00 42.46 41.27 1pa6 s ILE 300 CO 0.18 -0.44 1.79 -0.61 0.24 0.00 0.00 174.94 176.10 1pa6 h GLN 301 N -1.31 0.37 0.00 0.37 -0.00 -1.99 -1.29 115.11 111.27 1pa6 h GLN 301 Ca -0.44 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1pa6 h GLN 301 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.64 1pa6 h GLN 301 CO 0.50 0.24 0.00 -1.13 0.00 0.00 0.00 178.83 178.44 1pa6 n SER 302 N -4.58 0.00 -4.68 -0.69 3.41 -1.26 -4.90 113.62 100.93 1pa6 n SER 302 Ca 0.24 -0.35 -0.45 0.00 -0.26 0.00 0.00 58.87 58.05 1pa6 n SER 302 Cb 0.85 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1pa6 n SER 302 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pa6 n SER 303 N -1.21 3.74 -0.09 4.04 2.88 -0.49 -2.94 113.62 119.56 1pa6 n SER 303 Ca 0.16 0.96 -0.12 0.00 -1.33 0.00 0.00 58.87 58.54 1pa6 n SER 303 Cb 0.19 -1.45 -0.05 0.00 -0.75 0.00 0.00 64.21 62.16 1pa6 n SER 303 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1pa6 h LYS 304 N 9.30 0.51 -0.07 -1.46 3.64 0.03 -1.83 116.57 126.68 1pa6 h LYS 304 Ca -0.48 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1pa6 h LYS 304 Cb 1.25 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1pa6 h LYS 304 CO 0.94 0.74 0.04 1.25 -2.27 0.00 0.00 179.45 180.15 1pa6 h LEU 305 N 0.24 0.08 -1.47 5.20 5.85 -1.80 -0.87 115.31 122.54 1pa6 h LEU 305 Ca 0.06 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pa6 h LEU 305 Cb 0.57 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1pa6 h LEU 305 CO 0.03 0.13 0.21 0.00 -0.34 0.00 0.00 178.44 178.48 1pa6 h ALA 306 N 0.95 1.60 -0.13 1.25 0.00 -1.92 -0.97 119.26 120.04 1pa6 h ALA 306 Ca 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1pa6 h ALA 306 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1pa6 h ALA 306 CO -0.00 0.33 -0.16 -0.22 0.00 0.00 0.00 179.25 179.20 1pa6 h LYS 307 N 0.57 0.34 -0.57 0.00 3.64 -0.91 -2.01 116.57 117.63 1pa6 h LYS 307 Ca 0.15 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1pa6 h LYS 307 Cb 0.04 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1pa6 h LYS 307 CO -0.02 0.75 0.04 0.93 -2.27 0.00 0.00 179.45 178.87 1pa6 h GLU 308 N -0.05 0.96 -0.24 1.90 5.08 -0.94 -3.02 114.58 118.28 1pa6 h GLU 308 Ca 0.02 -0.27 -0.18 0.00 -1.00 0.00 0.00 59.36 57.93 1pa6 h GLU 308 Cb 0.70 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1pa6 h GLU 308 CO 0.04 0.93 -0.57 -0.07 -1.00 0.00 0.00 179.01 178.33 1pa6 h LEU 309 N 0.89 0.83 -1.83 1.33 4.07 -1.21 0.11 115.31 119.49 1pa6 h LEU 309 Ca 0.17 -0.45 0.04 0.00 0.08 0.00 0.00 57.88 57.72 1pa6 h LEU 309 Cb 0.47 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1pa6 h LEU 309 CO 0.02 1.22 0.19 0.03 -1.08 0.00 0.00 178.44 178.82 1pa6 h ARG 310 N 0.56 0.21 0.14 1.13 3.08 -1.26 -1.24 114.38 117.00 1pa6 h ARG 310 Ca 0.01 -0.01 -0.36 0.00 0.07 0.00 0.00 59.98 59.68 1pa6 h ARG 310 Cb 1.15 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1pa6 h ARG 310 CO 0.12 0.14 -1.92 0.00 -1.07 0.00 0.00 179.97 177.24 1pa6 h ALA 311 N 1.85 0.35 -0.08 0.04 0.00 -1.38 -3.40 119.26 116.63 1pa6 h ALA 311 Ca 0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 54.91 53.68 1pa6 h ALA 311 Cb 0.20 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pa6 h ALA 311 CO -0.02 1.22 -0.10 -0.22 0.00 0.00 0.00 179.25 180.13 1pa6 h LYS 312 N 0.07 0.21 -6.30 0.00 3.64 -0.61 -3.42 116.57 110.16 1pa6 h LYS 312 Ca -0.40 -0.12 -0.57 0.00 -1.27 0.00 0.00 60.65 58.30 1pa6 h LYS 312 Cb 2.05 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.83 1pa6 h LYS 312 CO 0.12 0.66 0.97 0.42 -2.27 0.00 0.00 179.45 179.34 1pa6 s ILE 313 N -4.20 4.14 0.15 2.00 1.01 -0.48 -5.02 121.20 118.80 1pa6 s ILE 313 Ca -0.15 1.31 0.06 0.00 0.00 0.00 0.00 60.65 61.87 1pa6 s ILE 313 Cb 0.04 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1pa6 s ILE 313 CO 0.72 -0.38 0.06 -1.10 0.00 0.00 0.00 174.94 174.24 1pa6 s GLN 314 N 4.05 2.67 0.44 2.79 -1.52 -1.26 -4.88 119.66 121.95 1pa6 s GLN 314 Ca 0.57 -0.95 -0.24 0.00 -1.95 0.00 0.00 55.36 52.80 1pa6 s GLN 314 Cb -0.18 -2.53 -0.10 0.00 -0.22 0.00 0.00 33.01 29.98 1pa6 s GLN 314 CO 0.22 0.48 0.96 -3.47 -0.25 0.00 0.00 175.29 173.23 1pa6 n ASP 315 N -0.10 1.02 -4.18 5.90 -0.08 -1.26 -5.00 116.55 112.86 1pa6 n ASP 315 Ca -0.09 1.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.90 1pa6 n ASP 315 Cb 0.54 -1.34 -0.16 0.00 2.34 0.00 0.00 41.12 42.50 1pa6 n ASP 315 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1pa6 s ASP 316 N -0.80 2.55 -0.04 1.67 -1.08 -1.26 -4.99 116.67 112.72 1pa6 s ASP 316 Ca 0.64 -0.43 0.05 0.00 -0.52 0.00 0.00 52.55 52.29 1pa6 s ASP 316 Cb -0.55 -0.85 0.08 0.00 -1.46 0.00 0.00 42.92 40.14 1pa6 s ASP 316 CO 0.56 0.17 0.99 1.41 0.52 0.00 0.00 175.17 178.81 1pa6 n HIS 317 N 3.24 0.00 -0.23 -5.34 8.25 -1.26 -4.73 115.22 115.14 1pa6 n HIS 317 Ca -0.19 -0.56 -0.05 0.00 -0.26 0.00 0.00 57.72 56.67 1pa6 n HIS 317 Cb 0.53 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.61 1pa6 n HIS 317 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pa6 h SER 318 N 0.00 0.75 -0.68 0.41 4.64 -1.99 -0.30 113.55 116.37 1pa6 h SER 318 Ca 0.00 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1pa6 h SER 318 Cb 0.74 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 1pa6 h SER 318 CO 0.00 0.54 0.45 0.58 -0.87 0.00 0.00 176.83 177.53 1pa6 h VAL 319 N 0.89 1.16 0.10 0.95 2.07 -2.00 -1.53 116.25 117.88 1pa6 h VAL 319 Ca 0.24 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1pa6 h VAL 319 Cb -0.09 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1pa6 h VAL 319 CO -0.06 0.17 -0.05 -0.33 0.02 0.00 0.00 177.57 177.32 1pa6 h GLU 320 N 0.91 -0.12 -0.64 1.57 3.07 -1.78 -2.24 114.58 115.35 1pa6 h GLU 320 Ca 0.26 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.21 1pa6 h GLU 320 Cb -0.08 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.79 1pa6 h GLU 320 CO -0.07 0.16 0.29 0.28 -1.40 0.00 0.00 179.01 178.27 1pa6 h VAL 321 N -0.40 0.85 -0.58 3.13 2.07 -0.89 -2.03 116.25 118.40 1pa6 h VAL 321 Ca -0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1pa6 h VAL 321 Cb 0.34 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1pa6 h VAL 321 CO 0.02 0.10 0.27 0.00 0.02 0.00 0.00 177.57 177.97 1pa6 h ALA 322 N 1.39 0.74 0.00 1.67 0.00 -1.26 -2.87 119.26 118.93 1pa6 h ALA 322 Ca 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1pa6 h ALA 322 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pa6 h ALA 322 CO -0.26 0.32 -0.18 0.66 0.00 0.00 0.00 179.25 179.79 1pa6 h SER 323 N 0.78 0.00 0.34 0.00 4.64 -0.80 -2.13 113.55 116.38 1pa6 h SER 323 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pa6 h SER 323 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1pa6 h SER 323 CO -0.02 0.18 0.00 0.18 -0.87 0.00 0.00 176.83 176.30 1pa6 n LEU 324 N -4.20 0.00 0.02 5.97 4.77 -0.82 -1.62 117.00 121.12 1pa6 n LEU 324 Ca -0.02 0.42 0.11 0.00 -0.03 0.00 0.00 56.01 56.49 1pa6 n LEU 324 Cb 0.25 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 1pa6 n LEU 324 CO 0.35 -0.25 0.13 0.29 -1.33 0.00 0.00 177.39 176.58 1pa6 n LYS 325 N -1.42 0.19 -3.52 3.23 5.02 -0.80 -4.91 118.16 115.95 1pa6 n LYS 325 Ca 0.04 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 1pa6 n LYS 325 Cb 0.12 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 1pa6 n LYS 325 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pa6 s LYS 326 N -3.13 3.73 0.34 1.97 -0.14 -0.64 -5.00 119.74 116.88 1pa6 s LYS 326 Ca 0.06 0.14 0.15 0.00 -1.36 0.00 0.00 55.97 54.96 1pa6 s LYS 326 Cb 0.15 -2.74 0.61 0.00 -1.68 0.00 0.00 37.83 34.17 1pa6 s LYS 326 CO 0.78 0.39 1.72 -0.91 -0.76 0.00 0.00 175.35 176.57 1pa6 h ASN 327 N 2.71 0.00 -3.25 2.83 -0.26 -1.91 -3.42 115.58 112.28 1pa6 h ASN 327 Ca -0.47 0.00 -0.40 0.00 -0.56 0.00 0.00 56.30 54.88 1pa6 h ASN 327 Cb 1.17 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 38.04 1pa6 h ASN 327 CO 0.70 0.45 -0.75 -0.69 -1.06 0.00 0.00 177.43 176.09 1pa6 s VAL 328 N -3.75 -0.04 -0.21 2.81 1.01 -1.26 -4.92 120.40 114.03 1pa6 s VAL 328 Ca -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1pa6 s VAL 328 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1pa6 s VAL 328 CO 0.72 0.09 -0.04 -0.55 0.00 0.00 0.00 175.10 175.31 1pa6 s SER 329 N 2.13 4.35 0.00 3.32 0.15 -1.26 -4.95 113.70 117.44 1pa6 s SER 329 Ca 0.04 -0.37 0.24 0.00 0.70 0.00 0.00 55.95 56.57 1pa6 s SER 329 Cb -0.13 -1.74 1.38 0.00 -1.71 0.00 0.00 66.02 63.82 1pa6 s SER 329 CO -0.05 -0.00 1.90 0.18 1.20 0.00 0.00 173.24 176.47 1pa6 n LEU 330 N 4.68 0.23 -4.58 3.45 4.77 -1.26 -4.69 117.00 119.60 1pa6 n LEU 330 Ca -0.18 -0.09 -0.34 0.00 -0.03 0.00 0.00 56.01 55.37 1pa6 n LEU 330 Cb 0.51 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1pa6 n LEU 330 CO 0.29 0.04 -0.28 0.20 -1.33 0.00 0.00 177.39 176.32 1pa6 s ASN 331 N -1.77 5.36 0.29 -1.43 -0.87 -1.26 -5.02 114.94 110.25 1pa6 s ASN 331 Ca 0.37 0.00 -0.29 0.00 -1.57 0.00 0.00 52.86 51.37 1pa6 s ASN 331 Cb 0.17 -1.91 -0.10 0.00 -0.02 0.00 0.00 41.25 39.39 1pa6 s ASN 331 CO 0.29 0.16 1.12 0.00 -2.57 0.00 0.00 177.10 176.09 1pa6 s ALA 332 N 0.46 3.40 -0.25 0.60 0.00 -1.26 -4.88 121.76 119.83 1pa6 s ALA 332 Ca 0.01 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1pa6 s ALA 332 Cb -0.13 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1pa6 s ALA 332 CO 0.01 -0.22 -0.04 0.08 0.00 0.00 0.00 175.76 175.59 1pa6 s VAL 333 N -1.18 1.58 -0.63 0.00 1.01 0.68 -4.91 120.40 116.95 1pa6 s VAL 333 Ca 0.46 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 1pa6 s VAL 333 Cb -0.32 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1pa6 s VAL 333 CO 0.42 -0.17 1.25 -0.69 0.00 0.00 0.00 175.10 175.91 1pa6 s VAL 334 N 1.35 3.90 -1.20 2.92 1.01 -1.26 -1.61 120.40 125.51 1pa6 s VAL 334 Ca -0.04 0.73 0.22 0.00 0.00 0.00 0.00 61.98 62.89 1pa6 s VAL 334 Cb -0.19 -4.75 0.28 0.00 0.00 0.00 0.00 36.38 31.72 1pa6 s VAL 334 CO -0.07 -1.48 1.72 0.18 0.00 0.00 0.00 175.10 175.45 1pa6 n LEU 335 N 8.88 0.00 -4.16 3.92 4.77 -0.59 -4.88 117.00 124.93 1pa6 n LEU 335 Ca 0.07 0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1pa6 n LEU 335 Cb 0.49 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1pa6 n LEU 335 CO 0.71 -0.10 -0.37 0.42 -1.33 0.00 0.00 177.39 176.72 1pa6 s THR 336 N -2.80 0.58 -0.02 -5.08 -4.23 -1.26 -1.13 115.64 101.69 1pa6 s THR 336 Ca 0.16 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 1pa6 s THR 336 Cb 0.15 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.26 1pa6 s THR 336 CO 0.37 -0.82 -0.07 -0.70 -0.54 0.00 0.00 174.62 172.86 1pa6 s GLU 337 N -3.87 0.74 0.20 3.99 2.12 0.32 -4.43 118.70 117.77 1pa6 s GLU 337 Ca 0.13 -0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.15 1pa6 s GLU 337 Cb 0.06 -0.72 -0.07 0.00 0.26 0.00 0.00 34.13 33.67 1pa6 s GLU 337 CO -0.04 0.09 0.48 0.14 -0.54 0.00 0.00 175.26 175.39 1pa6 s VAL 338 N 0.18 5.02 0.24 3.70 -7.23 -1.26 -1.77 120.40 119.29 1pa6 s VAL 338 Ca -0.02 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.15 1pa6 s VAL 338 Cb -0.07 -3.62 -0.15 0.00 0.56 0.00 0.00 36.38 33.10 1pa6 s VAL 338 CO 0.00 -0.03 1.12 -0.67 -0.31 0.00 0.00 175.10 175.20 1pa6 n ASP 339 N -0.06 1.50 -0.43 4.85 -0.08 -0.73 -4.74 116.55 116.87 1pa6 n ASP 339 Ca -0.01 1.16 0.36 0.00 -1.51 0.00 0.00 54.79 54.79 1pa6 n ASP 339 Cb 0.52 -1.28 0.63 0.00 2.34 0.00 0.00 41.12 43.33 1pa6 n ASP 339 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1pa6 h LYS 340 N 2.78 0.08 0.00 -0.67 2.10 -1.95 0.29 116.57 119.19 1pa6 h LYS 340 Ca -0.42 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1pa6 h LYS 340 Cb 1.33 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1pa6 h LYS 340 CO 0.66 0.06 0.00 1.57 -2.00 0.00 0.00 179.45 179.73 1pa6 h LYS 341 N 0.09 0.00 0.00 0.07 2.10 -2.00 -2.62 116.57 114.21 1pa6 h LYS 341 Ca 0.82 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.47 1pa6 h LYS 341 Cb 2.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.83 1pa6 h LYS 341 CO -0.48 0.00 -0.86 0.72 -2.00 0.00 0.00 179.45 176.83 1pa6 n HIS 342 N -2.33 0.00 0.20 0.07 8.25 0.10 -4.53 115.22 116.97 1pa6 n HIS 342 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 1pa6 n HIS 342 Cb 0.16 -0.03 0.38 0.00 1.12 0.00 0.00 29.99 31.62 1pa6 n HIS 342 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pa6 h ALA 343 N 2.32 1.29 -0.02 -1.41 0.00 -1.45 0.90 119.26 120.88 1pa6 h ALA 343 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pa6 h ALA 343 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pa6 h ALA 343 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.96 1pa6 n ALA 344 N -1.58 2.47 -2.66 0.00 0.00 -1.26 -4.94 120.51 112.53 1pa6 n ALA 344 Ca -0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1pa6 n ALA 344 Cb 0.41 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1pa6 n ALA 344 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pa6 s LEU 345 N -1.55 4.30 0.45 0.00 2.96 0.31 -5.01 118.68 120.14 1pa6 s LEU 345 Ca 0.22 1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 55.53 1pa6 s LEU 345 Cb 0.16 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.21 1pa6 s LEU 345 CO 0.23 -0.39 1.16 -2.16 -1.32 0.00 0.00 176.35 173.88 1pa6 s PRO 346 N 1.59 3.81 0.39 0.98 0.04 -1.26 -4.90 135.00 135.65 1pa6 s PRO 346 Ca 0.51 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 1pa6 s PRO 346 Cb -0.21 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 1pa6 s PRO 346 CO 0.23 -0.51 0.83 -1.12 0.04 0.00 0.00 177.00 176.46 1pa6 s SER 347 N -1.33 6.73 -0.08 6.66 0.01 -1.26 -4.25 113.70 120.18 1pa6 s SER 347 Ca 0.62 1.38 0.03 0.00 1.31 0.00 0.00 55.95 59.29 1pa6 s SER 347 Cb -0.29 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.53 1pa6 s SER 347 CO 0.35 -0.34 -0.16 -0.89 0.41 0.00 0.00 173.24 172.61 1pa6 s THR 348 N -2.21 1.46 0.56 1.44 2.01 0.17 -4.97 115.64 114.12 1pa6 s THR 348 Ca 0.56 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 1pa6 s THR 348 Cb -0.10 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1pa6 s THR 348 CO 0.22 0.43 1.10 -0.94 -0.69 0.00 0.00 174.62 174.73 1pa6 s SER 349 N 0.53 5.74 0.33 3.53 1.04 -1.26 -4.37 113.70 119.23 1pa6 s SER 349 Ca -0.16 2.04 0.05 0.00 0.48 0.00 0.00 55.95 58.36 1pa6 s SER 349 Cb -0.16 -2.56 0.69 0.00 0.10 0.00 0.00 66.02 64.08 1pa6 s SER 349 CO 0.06 -1.20 1.88 -0.07 0.98 0.00 0.00 173.24 174.89 1pa6 h LEU 350 N 0.93 0.77 -0.48 2.42 3.38 -1.97 -1.11 115.31 119.24 1pa6 h LEU 350 Ca -0.49 0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.61 1pa6 h LEU 350 Cb 1.24 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.77 1pa6 h LEU 350 CO 0.57 0.43 -0.16 -0.61 0.09 0.00 0.00 178.44 178.76 1pa6 h GLN 351 N 0.84 -0.04 -0.22 1.13 5.75 -1.92 0.02 115.11 120.66 1pa6 h GLN 351 Ca 0.43 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.80 1pa6 h GLN 351 Cb 0.50 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1pa6 h GLN 351 CO -0.19 -0.03 -0.43 -0.44 -2.65 0.00 0.00 178.83 175.09 1pa6 h ASP 352 N -0.05 0.59 0.08 -0.69 3.32 -1.62 -1.99 116.42 116.07 1pa6 h ASP 352 Ca 0.23 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 1pa6 h ASP 352 Cb 0.40 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1pa6 h ASP 352 CO -0.52 0.94 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.49 1pa6 h LEU 353 N 0.45 0.42 0.00 1.55 4.07 -0.22 0.17 115.31 121.74 1pa6 h LEU 353 Ca 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1pa6 h LEU 353 Cb 0.94 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1pa6 h LEU 353 CO 0.08 0.76 -1.31 0.49 -1.08 0.00 0.00 178.44 177.39 1pa6 n PHE 354 N -4.04 0.00 0.18 1.13 3.01 -0.12 -4.29 117.46 113.32 1pa6 n PHE 354 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 1pa6 n PHE 354 Cb 0.48 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.72 1pa6 n PHE 354 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1pa6 n HIS 355 N -1.77 0.00 0.00 1.38 8.25 -0.75 -4.78 115.22 117.55 1pa6 n HIS 355 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1pa6 n HIS 355 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1pa6 n HIS 355 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pa6 n HIS 356 N -0.93 0.00 0.03 4.41 8.25 -0.90 -4.82 115.22 121.27 1pa6 n HIS 356 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1pa6 n HIS 356 Cb 0.06 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.28 1pa6 n HIS 356 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pa6 n ALA 357 N -0.27 0.91 0.02 -1.41 0.00 0.55 -1.04 120.51 119.27 1pa6 n ALA 357 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.51 1pa6 n ALA 357 Cb 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.56 1pa6 n ALA 357 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pa6 n ASP 358 N -1.60 2.23 0.00 0.00 8.00 -1.26 -4.12 116.55 119.80 1pa6 n ASP 358 Ca -0.00 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1pa6 n ASP 358 Cb 0.06 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1pa6 n ASP 358 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1pa6 n SER 359 N 0.20 0.53 -4.71 -2.24 3.41 -0.21 -5.05 113.62 105.55 1pa6 n SER 359 Ca 0.06 -0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.19 1pa6 n SER 359 Cb 0.29 0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 1pa6 n SER 359 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pa6 s ASP 360 N -0.44 6.30 0.13 4.04 2.15 -0.20 -5.00 116.67 123.65 1pa6 s ASP 360 Ca 0.00 0.34 -0.26 0.00 0.43 0.00 0.00 52.55 53.06 1pa6 s ASP 360 Cb 0.00 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 1pa6 s ASP 360 CO 0.00 0.09 1.62 0.50 -0.17 0.00 0.00 175.17 177.21 1pa6 h LYS 361 N 6.96 -0.40 -0.96 4.34 3.64 -1.96 -0.20 116.57 127.98 1pa6 h LYS 361 Ca -0.40 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1pa6 h LYS 361 Cb 1.16 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1pa6 h LYS 361 CO 0.73 -0.27 0.64 0.93 -2.27 0.00 0.00 179.45 179.21 1pa6 h GLU 362 N -0.41 1.24 0.00 1.90 3.07 -1.98 -2.53 114.58 115.86 1pa6 h GLU 362 Ca 0.07 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1pa6 h GLU 362 Cb 0.52 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1pa6 h GLU 362 CO -0.27 0.82 -0.47 -0.07 -1.40 0.00 0.00 179.01 177.62 1pa6 h LEU 363 N 1.28 0.00 -0.69 1.33 3.38 -1.80 -3.14 115.31 115.67 1pa6 h LEU 363 Ca 0.36 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 1pa6 h LEU 363 Cb -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1pa6 h LEU 363 CO -0.09 0.47 -0.52 1.56 0.09 0.00 0.00 178.44 179.95 1pa6 h GLN 364 N 0.00 0.00 0.00 1.13 4.20 -0.62 -3.14 115.11 116.68 1pa6 h GLN 364 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pa6 h GLN 364 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1pa6 h GLN 364 CO 0.06 0.52 0.00 0.00 -0.67 0.00 0.00 178.83 178.75 1pa6 n ALA 365 N -2.33 2.04 -2.68 3.87 0.00 -1.10 -4.80 120.51 115.51 1pa6 n ALA 365 Ca -0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1pa6 n ALA 365 Cb 0.61 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 1pa6 n ALA 365 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1pa6 s GLN 366 N -3.13 2.81 -0.01 0.00 -1.52 -1.19 -4.98 119.66 111.64 1pa6 s GLN 366 Ca 0.09 -0.58 0.05 0.00 -1.95 0.00 0.00 55.36 52.97 1pa6 s GLN 366 Cb 0.12 -2.68 -0.07 0.00 -0.22 0.00 0.00 33.01 30.16 1pa6 s GLN 366 CO 0.49 0.64 0.10 -0.40 -0.25 0.00 0.00 175.29 175.86 1pa6 n ASP 367 N 1.52 3.87 -4.41 5.90 5.75 -1.26 -4.94 116.55 122.97 1pa6 n ASP 367 Ca -0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.30 1pa6 n ASP 367 Cb 0.53 1.15 -0.14 0.00 -1.03 0.00 0.00 41.12 41.63 1pa6 n ASP 367 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1pa6 s THR 368 N -2.32 3.18 0.15 2.12 2.01 -1.26 0.28 115.64 119.80 1pa6 s THR 368 Ca -0.02 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 1pa6 s THR 368 Cb 0.03 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1pa6 s THR 368 CO 0.20 0.53 0.06 -0.36 -0.69 0.00 0.00 174.62 174.37 1pa6 s PHE 369 N 0.13 0.97 -0.00 4.92 0.40 0.90 -5.00 117.98 120.31 1pa6 s PHE 369 Ca -0.06 -1.23 0.07 0.00 -0.60 0.00 0.00 56.93 55.11 1pa6 s PHE 369 Cb -0.15 -0.53 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 1pa6 s PHE 369 CO 0.04 -0.50 -0.23 0.50 0.70 0.00 0.00 175.22 175.74 1pa6 s ARG 370 N -4.05 1.77 0.05 0.44 3.52 -1.26 0.34 118.95 119.76 1pa6 s ARG 370 Ca 0.27 -0.85 -0.26 0.00 -0.13 0.00 0.00 55.73 54.75 1pa6 s ARG 370 Cb 0.07 -1.76 0.07 0.00 -1.56 0.00 0.00 34.95 31.77 1pa6 s ARG 370 CO 0.04 0.48 0.62 -0.08 -0.81 0.00 0.00 175.30 175.55 1pa6 s THR 371 N -0.59 0.01 -0.01 4.11 -1.32 -0.12 0.45 115.64 118.17 1pa6 s THR 371 Ca 0.09 -0.05 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 1pa6 s THR 371 Cb -0.09 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1pa6 s THR 371 CO -0.00 -0.02 -0.18 -1.10 -2.21 0.00 0.00 174.62 171.10 1pa6 s GLN 372 N -2.41 2.25 0.26 7.08 1.11 -1.26 -1.13 119.66 125.56 1pa6 s GLN 372 Ca -0.05 -0.85 -0.22 0.00 0.01 0.00 0.00 55.36 54.25 1pa6 s GLN 372 Cb -0.01 -2.23 0.03 0.00 -1.01 0.00 0.00 33.01 29.79 1pa6 s GLN 372 CO -0.01 0.58 0.75 -0.59 0.01 0.00 0.00 175.29 176.03 1pa6 s PHE 373 N -0.77 -0.18 0.15 0.91 -0.12 -0.57 -4.80 117.98 112.60 1pa6 s PHE 373 Ca 0.12 -0.26 0.09 0.00 -0.05 0.00 0.00 56.93 56.83 1pa6 s PHE 373 Cb -0.10 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1pa6 s PHE 373 CO 0.02 -1.18 -0.13 1.52 -0.05 0.00 0.00 175.22 175.40 1pa6 s TYR 374 N -3.83 2.61 -0.21 3.49 -0.85 -0.79 0.87 117.35 118.65 1pa6 s TYR 374 Ca 0.11 -0.23 -0.15 0.00 -0.52 0.00 0.00 57.07 56.29 1pa6 s TYR 374 Cb -0.05 -1.33 -0.04 0.00 0.38 0.00 0.00 41.96 40.92 1pa6 s TYR 374 CO 0.06 0.46 0.35 0.08 -1.52 0.00 0.00 175.55 174.99 1pa6 s VAL 375 N -1.45 5.23 -0.17 -3.49 1.01 -1.26 -2.13 120.40 118.14 1pa6 s VAL 375 Ca 0.22 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1pa6 s VAL 375 Cb -0.10 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 1pa6 s VAL 375 CO 0.13 0.27 0.14 0.35 0.00 0.00 0.00 175.10 175.99 1pa6 n THR 376 N 4.34 1.61 -3.74 3.92 -2.24 0.26 -4.30 114.28 114.14 1pa6 n THR 376 Ca -0.10 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 60.89 1pa6 n THR 376 Cb 0.51 -1.41 -0.08 0.00 -2.10 0.00 0.00 70.33 67.26 1pa6 n THR 376 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1pa6 s LYS 377 N -2.54 0.74 -0.11 -0.78 2.20 -1.08 -4.95 119.74 113.22 1pa6 s LYS 377 Ca -0.24 -0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1pa6 s LYS 377 Cb 0.08 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.73 1pa6 s LYS 377 CO 0.72 -0.22 -0.21 0.42 -0.36 0.00 0.00 175.35 175.70 1pa6 s ILE 378 N -1.69 1.88 0.10 5.43 1.01 -1.26 -0.62 121.20 126.04 1pa6 s ILE 378 Ca -0.11 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1pa6 s ILE 378 Cb -0.04 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1pa6 s ILE 378 CO 0.02 0.52 -0.22 -1.61 0.00 0.00 0.00 174.94 173.66 1pa6 s GLU 379 N 0.59 1.71 0.87 2.79 2.02 -0.17 -4.01 118.70 122.51 1pa6 s GLU 379 Ca -0.14 -1.19 -0.11 0.00 0.02 0.00 0.00 54.97 53.55 1pa6 s GLU 379 Cb -0.17 -2.05 0.11 0.00 0.10 0.00 0.00 34.13 32.13 1pa6 s GLU 379 CO 0.04 0.48 1.09 -1.25 0.02 0.00 0.00 175.26 175.65 1pa6 s PRO 380 N -1.91 1.46 0.16 0.39 0.04 -1.26 -0.56 135.00 133.31 1pa6 s PRO 380 Ca 0.16 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 1pa6 s PRO 380 Cb -0.10 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1pa6 s PRO 380 CO 0.07 -2.13 1.76 0.77 0.04 0.00 0.00 177.00 177.51 1pa6 h SER 381 N -1.47 0.60 -3.37 6.66 0.02 -1.99 -3.40 113.55 110.59 1pa6 h SER 381 Ca -0.48 -0.09 -0.57 0.00 -0.84 0.00 0.00 61.79 59.81 1pa6 h SER 381 Cb 1.27 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.60 1pa6 h SER 381 CO 0.53 0.52 0.97 -0.62 -1.14 0.00 0.00 176.83 177.09 1pa6 s ASP 382 N -5.79 6.60 0.54 3.07 -1.08 -1.26 -4.88 116.67 113.87 1pa6 s ASP 382 Ca -0.13 0.86 0.27 0.00 -0.52 0.00 0.00 52.55 53.03 1pa6 s ASP 382 Cb 0.11 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.46 1pa6 s ASP 382 CO 0.75 -1.20 1.97 0.58 0.52 0.00 0.00 175.17 177.79 1pa6 h VAL 383 N 6.15 0.66 0.00 1.11 2.07 -1.98 -0.49 116.25 123.77 1pa6 h VAL 383 Ca -0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1pa6 h VAL 383 Cb 1.08 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1pa6 h VAL 383 CO 1.08 0.00 -0.03 0.11 0.02 0.00 0.00 177.57 178.74 1pa6 h LYS 384 N 0.00 0.00 -0.68 1.57 1.57 -1.90 -1.74 116.57 115.39 1pa6 h LYS 384 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1pa6 h LYS 384 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1pa6 h LYS 384 CO -0.00 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 1pa6 n GLU 385 N -3.36 2.65 0.19 3.15 -0.58 -0.19 -4.18 120.64 118.32 1pa6 n GLU 385 Ca -0.02 -2.45 0.03 0.00 -0.42 0.00 0.00 57.16 54.30 1pa6 n GLU 385 Cb 0.16 -1.55 0.38 0.00 -0.57 0.00 0.00 31.44 29.86 1pa6 n GLU 385 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1pa6 h TRP 386 N 3.94 0.00 -3.49 -0.32 4.06 -1.40 -3.40 115.95 115.34 1pa6 h TRP 386 Ca 0.00 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.30 1pa6 h TRP 386 Cb 0.95 0.00 -0.25 0.00 -1.00 0.00 0.00 29.16 28.85 1pa6 h TRP 386 CO 0.48 0.35 -0.68 0.08 -3.56 0.00 0.00 178.44 175.11 1pa6 s VAL 387 N -4.17 3.79 0.40 1.49 1.01 -1.26 -0.44 120.40 121.21 1pa6 s VAL 387 Ca -0.03 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1pa6 s VAL 387 Cb 0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1pa6 s VAL 387 CO 0.71 0.39 0.15 -0.54 0.00 0.00 0.00 175.10 175.82 1pa6 s LYS 388 N 1.46 2.20 -0.08 2.72 -0.14 0.06 -4.48 119.74 121.48 1pa6 s LYS 388 Ca 0.05 -1.84 -0.12 0.00 -1.36 0.00 0.00 55.97 52.70 1pa6 s LYS 388 Cb -0.15 -1.97 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 1pa6 s LYS 388 CO -0.00 -0.08 0.30 0.20 -0.76 0.00 0.00 175.35 175.01 1pa6 s GLY 389 N -3.87 2.32 -0.04 -3.33 0.00 0.34 -1.04 107.32 101.70 1pa6 s GLY 389 Ca 0.40 -0.40 0.06 0.00 0.00 0.00 0.00 44.72 44.78 1pa6 s GLY 389 CO 0.22 0.06 -0.24 -0.47 0.00 0.00 0.00 173.10 172.68 1pa6 s TYR 390 N -0.67 2.43 -0.41 1.90 5.04 0.51 -1.06 117.35 125.10 1pa6 s TYR 390 Ca 0.19 -0.53 -0.08 0.00 -2.44 0.00 0.00 57.07 54.21 1pa6 s TYR 390 Cb -0.14 -1.57 0.07 0.00 0.35 0.00 0.00 41.96 40.67 1pa6 s TYR 390 CO 0.08 -0.09 0.23 0.34 -1.34 0.00 0.00 175.55 174.77 1pa6 s ASP 391 N -0.41 5.56 0.18 4.32 -1.08 -0.46 -1.39 116.67 123.39 1pa6 s ASP 391 Ca 0.04 -1.49 0.17 0.00 -0.52 0.00 0.00 52.55 50.74 1pa6 s ASP 391 Cb -0.12 -1.96 0.78 0.00 -1.46 0.00 0.00 42.92 40.16 1pa6 s ASP 391 CO 0.01 -0.51 1.51 0.54 0.52 0.00 0.00 175.17 177.24 1pa6 n ARG 392 N 4.88 0.10 -0.02 4.34 1.74 -1.26 -0.72 116.66 125.72 1pa6 n ARG 392 Ca -0.10 0.48 -0.22 0.00 -0.77 0.00 0.00 57.85 57.24 1pa6 n ARG 392 Cb 0.43 -1.76 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 1pa6 n ARG 392 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1pa6 h LYS 393 N 0.00 0.20 -0.02 5.56 1.57 -1.96 -3.37 116.57 118.55 1pa6 h LYS 393 Ca 0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1pa6 h LYS 393 Cb 0.15 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1pa6 h LYS 393 CO 0.00 1.16 -0.23 0.25 -0.57 0.00 0.00 179.45 180.07 1pa6 n THR 394 N -3.79 0.00 -3.45 -0.16 -2.24 -1.14 -4.95 114.28 98.54 1pa6 n THR 394 Ca -0.31 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 60.97 1pa6 n THR 394 Cb 0.94 0.85 0.04 0.00 -2.10 0.00 0.00 70.33 70.05 1pa6 n THR 394 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pa6 n LYS 395 N 0.04 -5.48 -4.95 -0.78 4.76 0.11 -4.99 118.16 106.86 1pa6 n LYS 395 Ca 0.13 0.73 -0.28 0.00 -2.87 0.00 0.00 58.31 56.02 1pa6 n LYS 395 Cb 0.43 -5.62 -0.15 0.00 -1.84 0.00 0.00 35.03 27.85 1pa6 n LYS 395 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pa6 s LYS 396 N -6.15 1.69 0.22 1.97 1.02 -1.16 -4.97 119.74 112.37 1pa6 s LYS 396 Ca 0.48 -0.87 0.08 0.00 0.02 0.00 0.00 55.97 55.68 1pa6 s LYS 396 Cb -0.23 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1pa6 s LYS 396 CO 0.60 0.46 0.07 -1.54 -0.92 0.00 0.00 175.35 174.01 1pa6 s SER 397 N -0.79 5.00 0.14 2.83 1.04 -1.26 -1.35 113.70 119.32 1pa6 s SER 397 Ca 0.09 -0.39 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 1pa6 s SER 397 Cb -0.09 -1.13 0.03 0.00 0.10 0.00 0.00 66.02 64.94 1pa6 s SER 397 CO 0.00 0.03 0.41 -0.94 0.98 0.00 0.00 173.24 173.72 1pa6 s SER 398 N -3.39 -0.21 0.51 7.02 1.04 -0.22 -4.94 113.70 113.50 1pa6 s SER 398 Ca 0.30 -0.38 -0.22 0.00 0.48 0.00 0.00 55.95 56.13 1pa6 s SER 398 Cb -0.08 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 1pa6 s SER 398 CO 0.21 -0.88 1.28 -0.55 0.98 0.00 0.00 173.24 174.28 1pa6 s SER 399 N -2.83 5.66 0.00 7.02 0.15 -1.26 -0.50 113.70 121.94 1pa6 s SER 399 Ca 0.05 2.57 0.21 0.00 0.70 0.00 0.00 55.95 59.47 1pa6 s SER 399 Cb 0.02 -2.62 0.54 0.00 -1.71 0.00 0.00 66.02 62.24 1pa6 s SER 399 CO -0.10 -1.29 1.45 0.18 1.20 0.00 0.00 173.24 174.69 1pa6 n LEU 400 N -0.79 3.19 0.23 3.45 4.77 -1.26 -4.15 117.00 122.44 1pa6 n LEU 400 Ca 0.09 -1.51 0.16 0.00 -0.03 0.00 0.00 56.01 54.71 1pa6 n LEU 400 Cb 0.46 -0.34 0.78 0.00 -2.33 0.00 0.00 43.42 42.00 1pa6 n LEU 400 CO 0.51 0.76 0.97 0.50 -1.33 0.00 0.00 177.39 178.79 1pa6 h LYS 401 N 3.73 0.00 0.00 3.23 3.64 -1.94 0.33 116.57 125.55 1pa6 h LYS 401 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pa6 h LYS 401 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1pa6 h LYS 401 CO 0.00 0.00 -1.33 0.41 -2.27 0.00 0.00 179.45 176.26 1pa6 n GLY 402 N -0.85 -1.05 0.44 5.01 0.00 -1.26 -5.10 105.19 102.38 1pa6 n GLY 402 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1pa6 n GLY 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pa6 n ALA 403 N -1.83 0.00 -0.36 4.61 0.00 0.11 -4.72 120.51 118.33 1pa6 n ALA 403 Ca 0.01 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.75 1pa6 n ALA 403 Cb 0.43 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.35 1pa6 n ALA 403 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pa6 n SER 404 N 0.06 0.00 -0.69 0.00 3.41 -1.26 -3.15 113.62 111.99 1pa6 n SER 404 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1pa6 n SER 404 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1pa6 n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pa6 n GLY 405 N -1.55 0.00 0.00 5.00 0.00 -1.26 -1.71 105.19 105.67 1pa6 n GLY 405 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1pa6 n GLY 405 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pa6 n LYS 406 N 0.69 4.92 0.00 1.61 4.76 -1.19 -5.12 118.16 123.83 1pa6 n LYS 406 Ca 0.00 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1pa6 n LYS 406 Cb 0.00 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1pa6 n LYS 406 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pa6 n GLY 407 N 0.72 -0.98 3.78 0.72 0.00 -0.69 -2.67 105.19 106.07 1pa6 n GLY 407 Ca 0.00 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1pa6 n GLY 407 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pa6 s ASP 408 N -4.00 6.49 0.18 1.61 1.01 -0.49 -4.23 116.67 117.24 1pa6 s ASP 408 Ca 0.00 2.92 -0.30 0.00 0.71 0.00 0.00 52.55 55.88 1pa6 s ASP 408 Cb 0.00 -2.66 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 1pa6 s ASP 408 CO 0.00 -0.76 0.97 0.20 0.21 0.00 0.00 175.17 175.79 1pa6 s ASN 409 N -0.24 7.53 0.12 0.27 0.01 -1.26 0.19 114.94 121.56 1pa6 s ASN 409 Ca 0.52 1.90 -0.12 0.00 -0.71 0.00 0.00 52.86 54.45 1pa6 s ASN 409 Cb -0.44 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.63 1pa6 s ASN 409 CO 0.59 0.01 0.31 0.27 -1.51 0.00 0.00 177.10 176.78 1pa6 s ILE 410 N -0.55 0.09 -0.09 0.60 -4.36 -0.20 -4.90 121.20 111.80 1pa6 s ILE 410 Ca 0.45 -0.91 -0.21 0.00 -0.26 0.00 0.00 60.65 59.72 1pa6 s ILE 410 Cb -0.25 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1pa6 s ILE 410 CO 0.32 -0.43 0.59 -0.36 0.24 0.00 0.00 174.94 175.30 1pa6 s PHE 411 N -3.85 3.55 -0.54 1.37 0.40 -1.26 -0.76 117.98 116.88 1pa6 s PHE 411 Ca 0.06 1.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.50 1pa6 s PHE 411 Cb 0.03 -2.68 0.17 0.00 0.51 0.00 0.00 43.02 41.05 1pa6 s PHE 411 CO -0.10 0.13 0.41 0.94 0.70 0.00 0.00 175.22 177.31 1pa6 n GLN 412 N 3.71 0.91 -4.56 0.44 7.27 0.41 -1.86 117.38 123.70 1pa6 n GLN 412 Ca -0.04 -3.75 -0.34 0.00 0.07 0.00 0.00 57.00 52.94 1pa6 n GLN 412 Cb 0.51 -1.94 -0.11 0.00 2.41 0.00 0.00 30.24 31.12 1pa6 n GLN 412 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1pa6 s VAL 413 N -0.62 3.79 -0.30 1.69 1.01 -0.26 -4.59 120.40 121.12 1pa6 s VAL 413 Ca 0.30 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1pa6 s VAL 413 Cb 0.01 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.87 1pa6 s VAL 413 CO -0.19 0.58 -0.02 -1.58 0.00 0.00 0.00 175.10 173.90 1pa6 s GLN 414 N -0.58 2.25 -0.01 2.72 0.74 0.28 -1.08 119.66 123.97 1pa6 s GLN 414 Ca 0.09 -1.39 -0.21 0.00 0.05 0.00 0.00 55.36 53.90 1pa6 s GLN 414 Cb -0.12 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 1pa6 s GLN 414 CO 0.02 -0.67 0.60 -0.06 -0.55 0.00 0.00 175.29 174.63 1pa6 s PHE 415 N 1.16 3.67 -0.29 1.67 2.99 0.11 -1.00 117.98 126.29 1pa6 s PHE 415 Ca -0.04 1.20 -0.09 0.00 0.00 0.00 0.00 56.93 57.99 1pa6 s PHE 415 Cb -0.20 -2.63 -0.02 0.00 0.00 0.00 0.00 43.02 40.17 1pa6 s PHE 415 CO -0.03 0.32 0.14 -0.51 -0.00 0.00 0.00 175.22 175.14 1pa6 s LEU 416 N -0.08 3.91 0.43 -0.37 1.02 0.21 -0.51 118.68 123.29 1pa6 s LEU 416 Ca 0.31 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.19 1pa6 s LEU 416 Cb -0.18 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 1pa6 s LEU 416 CO 0.17 -0.12 0.07 0.68 0.02 0.00 0.00 176.35 177.18 1pa6 s VAL 417 N 1.65 0.94 0.31 -1.59 -7.23 0.20 -0.57 120.40 114.11 1pa6 s VAL 417 Ca 0.06 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.08 1pa6 s VAL 417 Cb -0.16 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1pa6 s VAL 417 CO 0.07 0.00 0.63 -0.75 -0.31 0.00 0.00 175.10 174.74 1pa6 s LYS 418 N -3.78 1.86 0.19 4.82 2.20 -0.91 0.50 119.74 124.61 1pa6 s LYS 418 Ca 0.20 -1.31 -0.07 0.00 -0.36 0.00 0.00 55.97 54.43 1pa6 s LYS 418 Cb 0.03 0.55 0.03 0.00 -1.51 0.00 0.00 37.83 36.93 1pa6 s LYS 418 CO 0.11 -0.83 0.39 -0.40 -0.36 0.00 0.00 175.35 174.27 1pa6 n ASP 419 N -0.84 -1.11 -0.18 1.43 5.75 -1.26 -1.88 116.55 118.46 1pa6 n ASP 419 Ca -0.04 -1.75 -0.06 0.00 -0.01 0.00 0.00 54.79 52.93 1pa6 n ASP 419 Cb 0.60 1.84 0.04 0.00 -1.03 0.00 0.00 41.12 42.57 1pa6 n ASP 419 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pa6 h ALA 420 N 2.00 0.68 0.00 2.12 0.00 -1.88 -1.10 119.26 121.07 1pa6 h ALA 420 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pa6 h ALA 420 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pa6 h ALA 420 CO 0.21 0.05 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1pa6 h SER 421 N 0.65 0.00 0.00 0.00 4.64 -1.97 -2.81 113.55 114.07 1pa6 h SER 421 Ca 0.21 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1pa6 h SER 421 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pa6 h SER 421 CO -0.08 0.00 -0.12 0.35 -0.87 0.00 0.00 176.83 176.11 1pa6 n THR 422 N -2.71 1.46 0.02 2.95 -2.24 -1.02 -4.76 114.28 107.97 1pa6 n THR 422 Ca 0.00 -1.76 -0.10 0.00 -2.27 0.00 0.00 64.05 59.93 1pa6 n THR 422 Cb 0.21 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1pa6 n THR 422 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pa6 h GLN 423 N 0.00 -0.27 0.00 -0.78 5.75 -0.93 -3.16 115.11 115.72 1pa6 h GLN 423 Ca -0.00 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1pa6 h GLN 423 Cb 1.09 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 1pa6 h GLN 423 CO 0.00 -0.18 -0.03 -0.07 -2.65 0.00 0.00 178.83 175.90 1pa6 h LEU 424 N -0.28 0.00-10.39 -2.39 3.38 -1.88 -3.47 115.31 100.27 1pa6 h LEU 424 Ca 0.09 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.61 1pa6 h LEU 424 Cb 0.40 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.32 1pa6 h LEU 424 CO -0.25 0.03 0.19 0.54 0.09 0.00 0.00 178.44 179.04 1pa6 s ASN 425 N -6.15 2.30 -0.32 -0.43 2.20 -1.19 -4.93 114.94 106.42 1pa6 s ASN 425 Ca 0.06 1.00 0.04 0.00 -0.94 0.00 0.00 52.86 53.02 1pa6 s ASN 425 Cb 0.06 -1.55 0.52 0.00 -2.00 0.00 0.00 41.25 38.28 1pa6 s ASN 425 CO 0.65 -3.31 1.66 -3.20 -2.94 0.00 0.00 177.10 169.96 1pa6 n ASN 426 N -4.27 3.72 -4.63 3.54 4.05 -1.26 -4.95 115.26 111.46 1pa6 n ASN 426 Ca 0.07 -3.14 -0.24 0.00 0.45 0.00 0.00 54.58 51.73 1pa6 n ASN 426 Cb 0.58 -0.74 -0.08 0.00 1.23 0.00 0.00 39.78 40.77 1pa6 n ASN 426 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1pa6 s ASN 427 N -0.72 4.36 -0.02 1.20 0.01 -1.26 -5.13 114.94 113.39 1pa6 s ASN 427 Ca 0.43 -0.80 -0.01 0.00 -0.71 0.00 0.00 52.86 51.77 1pa6 s ASN 427 Cb 0.36 -0.69 0.02 0.00 0.41 0.00 0.00 41.25 41.35 1pa6 s ASN 427 CO 0.09 -0.10 0.05 0.28 -1.51 0.00 0.00 177.10 175.91 1pa6 s THR 428 N -2.41 -0.03 0.09 1.60 -1.32 -1.26 -4.91 115.64 107.40 1pa6 s THR 428 Ca 0.33 0.12 0.04 0.00 -1.21 0.00 0.00 61.69 60.97 1pa6 s THR 428 Cb -0.04 -0.09 -0.04 0.00 -1.51 0.00 0.00 72.50 70.82 1pa6 s THR 428 CO 0.20 0.05 0.05 -0.31 -2.21 0.00 0.00 174.62 172.40 1pa6 s TYR 429 N 0.63 3.10 -0.02 9.09 1.51 0.18 -4.78 117.35 127.05 1pa6 s TYR 429 Ca -0.05 0.03 -0.21 0.00 -1.01 0.00 0.00 57.07 55.83 1pa6 s TYR 429 Cb -0.07 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1pa6 s TYR 429 CO -0.02 0.51 0.60 1.03 -1.11 0.00 0.00 175.55 176.55 1pa6 s ARG 430 N -2.44 4.33 -0.05 -0.62 0.52 -1.26 0.59 118.95 120.03 1pa6 s ARG 430 Ca 0.28 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.21 1pa6 s ARG 430 Cb -0.12 -3.37 0.03 0.00 0.52 0.00 0.00 34.95 32.01 1pa6 s ARG 430 CO 0.21 0.31 -0.02 0.08 0.02 0.00 0.00 175.30 175.89 1pa6 s VAL 431 N 0.03 0.39 -0.02 3.52 1.01 0.33 -4.67 120.40 120.98 1pa6 s VAL 431 Ca 0.31 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1pa6 s VAL 431 Cb -0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1pa6 s VAL 431 CO 0.17 0.22 0.16 -0.76 0.00 0.00 0.00 175.10 174.88 1pa6 s LEU 432 N 1.31 4.29 -0.56 3.92 1.43 -0.15 0.04 118.68 128.96 1pa6 s LEU 432 Ca -0.05 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1pa6 s LEU 432 Cb -0.13 -2.50 0.16 0.00 0.03 0.00 0.00 46.19 43.75 1pa6 s LEU 432 CO -0.02 0.28 0.40 -0.22 0.23 0.00 0.00 176.35 177.02 1pa6 s LEU 433 N -1.81 3.36 -0.32 1.79 2.96 -0.24 0.34 118.68 124.76 1pa6 s LEU 433 Ca 0.25 -3.40 -0.03 0.00 -0.22 0.00 0.00 54.13 50.74 1pa6 s LEU 433 Cb -0.12 -1.15 0.05 0.00 0.50 0.00 0.00 46.19 45.47 1pa6 s LEU 433 CO 0.16 -0.14 0.04 -0.31 -1.32 0.00 0.00 176.35 174.78 1pa6 s TYR 434 N -0.67 3.29 -2.74 5.38 1.51 -1.25 -1.10 117.35 121.77 1pa6 s TYR 434 Ca 0.26 -1.83 0.24 0.00 -1.01 0.00 0.00 57.07 54.73 1pa6 s TYR 434 Cb -0.05 -2.23 0.39 0.00 -0.11 0.00 0.00 41.96 39.96 1pa6 s TYR 434 CO -0.15 -0.80 1.38 0.25 -1.11 0.00 0.00 175.55 175.11 1pa6 n THR 435 N 4.66 0.17 -0.06 -0.71 -2.24 -0.78 -4.50 114.28 110.82 1pa6 n THR 435 Ca -0.12 -0.54 0.24 0.00 -2.27 0.00 0.00 64.05 61.36 1pa6 n THR 435 Cb 0.43 1.16 0.61 0.00 -2.10 0.00 0.00 70.33 70.43 1pa6 n THR 435 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1pa6 h GLN 436 N 4.22 0.00 -0.27 -0.78 -0.00 -1.87 0.18 115.11 116.59 1pa6 h GLN 436 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pa6 h GLN 436 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 1pa6 h GLN 436 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 178.83 178.58 1pa6 n ASP 437 N -3.49 3.38 0.00 0.06 8.00 -1.26 -4.97 116.55 118.26 1pa6 n ASP 437 Ca 0.15 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 53.05 1pa6 n ASP 437 Cb 1.05 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1pa6 n ASP 437 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pa6 n GLY 438 N -0.17 2.37 3.69 0.44 0.00 0.62 -5.05 105.19 107.09 1pa6 n GLY 438 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1pa6 n GLY 438 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pa6 s LEU 439 N 0.00 4.30 -1.58 0.99 1.43 -1.26 -3.09 118.68 119.46 1pa6 s LEU 439 Ca 0.00 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1pa6 s LEU 439 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1pa6 s LEU 439 CO 0.00 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1pa6 n GLY 440 N 3.45 0.86 0.36 -3.19 0.00 -1.00 -3.85 105.19 101.82 1pa6 n GLY 440 Ca 0.12 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1pa6 n GLY 440 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pa6 h ALA 441 N 0.30 1.49 -0.86 4.61 0.00 -1.85 -2.67 119.26 120.29 1pa6 h ALA 441 Ca -0.35 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.13 1pa6 h ALA 441 Cb 1.14 -0.29 -0.23 0.00 0.00 0.00 0.00 17.79 18.42 1pa6 h ALA 441 CO 0.47 0.43 0.46 0.09 0.00 0.00 0.00 179.25 180.71 1pa6 n ASN 442 N -4.44 4.08 -0.19 0.00 3.02 -1.26 -4.63 115.26 111.84 1pa6 n ASN 442 Ca 0.10 -3.47 -0.08 0.00 -0.03 0.00 0.00 54.58 51.10 1pa6 n ASN 442 Cb 0.10 -0.79 0.02 0.00 -0.61 0.00 0.00 39.78 38.50 1pa6 n ASN 442 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1pa6 h PHE 443 N 1.63 0.82 -0.04 3.10 3.57 -1.60 -2.72 116.94 121.69 1pa6 h PHE 443 Ca 0.47 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1pa6 h PHE 443 Cb 2.59 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 41.09 1pa6 h PHE 443 CO 1.44 0.67 0.00 1.19 -2.23 0.00 0.00 178.31 179.38 1pa6 n PHE 444 N -4.52 0.04 -1.85 0.41 3.01 -1.26 -1.77 117.46 111.51 1pa6 n PHE 444 Ca 0.02 -0.02 -0.21 0.00 1.01 0.00 0.00 57.45 58.26 1pa6 n PHE 444 Cb 0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1pa6 n PHE 444 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pa6 n ASN 445 N -0.05 -5.65 -3.74 4.37 3.02 -1.03 -4.93 115.26 107.26 1pa6 n ASN 445 Ca 0.19 0.35 -0.26 0.00 -0.03 0.00 0.00 54.58 54.83 1pa6 n ASN 445 Cb 0.29 -4.88 -0.17 0.00 -0.61 0.00 0.00 39.78 34.41 1pa6 n ASN 445 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pa6 s VAL 446 N -2.86 0.44 0.38 2.41 1.01 -1.26 -5.11 120.40 115.40 1pa6 s VAL 446 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1pa6 s VAL 446 Cb 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 36.38 35.45 1pa6 s VAL 446 CO 0.00 -0.04 1.41 -0.54 0.00 0.00 0.00 175.10 175.93 1pa6 s LYS 447 N 1.92 4.09 0.55 2.72 -0.14 -1.26 -4.90 119.74 122.72 1pa6 s LYS 447 Ca 0.01 2.42 -0.19 0.00 -1.36 0.00 0.00 55.97 56.85 1pa6 s LYS 447 Cb -0.15 -2.92 -0.08 0.00 -1.68 0.00 0.00 37.83 32.99 1pa6 s LYS 447 CO -0.07 -0.49 0.70 0.00 -0.76 0.00 0.00 175.35 174.73 1pa6 n ALA 448 N 0.41 -0.68 -3.53 5.17 0.00 -1.26 -5.00 120.51 115.62 1pa6 n ALA 448 Ca 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1pa6 n ALA 448 Cb 0.41 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 1pa6 n ALA 448 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pa6 s ASP 449 N -1.13 -0.29 -0.56 0.00 -1.08 -1.26 -4.97 116.67 107.37 1pa6 s ASP 449 Ca 0.70 0.00 -0.26 0.00 -0.52 0.00 0.00 52.55 52.47 1pa6 s ASP 449 Cb -0.46 0.30 -0.06 0.00 -1.46 0.00 0.00 42.92 41.24 1pa6 s ASP 449 CO 0.53 -0.49 2.26 0.21 0.52 0.00 0.00 175.17 178.20 1pa6 s ASN 450 N -2.36 4.60 0.00 -0.34 3.84 -1.26 -4.78 114.94 114.63 1pa6 s ASN 450 Ca 0.06 0.74 0.09 0.00 0.21 0.00 0.00 52.86 53.96 1pa6 s ASN 450 Cb -0.01 -2.51 0.39 0.00 -0.55 0.00 0.00 41.25 38.56 1pa6 s ASN 450 CO -0.07 -2.86 1.28 0.18 -2.79 0.00 0.00 177.10 172.84 1pa6 n LEU 451 N 15.37 0.00 0.14 3.21 4.77 -1.26 -1.42 117.00 137.80 1pa6 n LEU 451 Ca 0.34 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.93 1pa6 n LEU 451 Cb 0.53 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 41.47 1pa6 n LEU 451 CO 0.69 -0.34 0.87 0.45 -1.33 0.00 0.00 177.39 177.73 1pa6 h HIS 452 N 0.00 0.00 0.00 -1.77 3.86 -1.86 -3.37 115.15 112.00 1pa6 h HIS 452 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1pa6 h HIS 452 Cb 0.15 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 1pa6 h HIS 452 CO 0.00 0.00 -1.06 1.63 0.86 0.00 0.00 177.93 179.36 1pa6 n LYS 453 N -2.49 2.33 -2.98 2.45 5.02 -0.67 -4.92 118.16 116.90 1pa6 n LYS 453 Ca 0.05 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.90 1pa6 n LYS 453 Cb 0.46 -1.02 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1pa6 n LYS 453 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1pa6 s ASN 454 N -3.51 6.52 0.18 4.39 3.84 -0.51 -4.88 114.94 120.97 1pa6 s ASN 454 Ca -0.01 -1.87 -0.14 0.00 0.21 0.00 0.00 52.86 51.06 1pa6 s ASN 454 Cb 0.00 -2.37 0.15 0.00 -0.55 0.00 0.00 41.25 38.48 1pa6 s ASN 454 CO 0.03 -1.08 1.73 0.00 -2.79 0.00 0.00 177.10 174.99 1pa6 h ALA 455 N 8.89 0.54 -0.39 1.71 0.00 -1.89 -1.37 119.26 126.75 1pa6 h ALA 455 Ca 0.03 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1pa6 h ALA 455 Cb 1.04 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1pa6 h ALA 455 CO 1.08 -0.27 0.08 -0.44 0.00 0.00 0.00 179.25 179.71 1pa6 h ASP 456 N 0.28 0.02 -0.18 0.00 3.32 -1.97 0.17 116.42 118.07 1pa6 h ASP 456 Ca 0.22 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1pa6 h ASP 456 Cb 0.26 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1pa6 h ASP 456 CO -0.26 0.05 0.11 0.00 -1.72 0.00 0.00 179.24 177.42 1pa6 h ALA 457 N 1.29 0.23 -0.49 3.45 0.00 -1.82 -2.61 119.26 119.31 1pa6 h ALA 457 Ca 0.19 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1pa6 h ALA 457 Cb 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1pa6 h ALA 457 CO -0.24 -0.27 0.26 -0.09 0.00 0.00 0.00 179.25 178.91 1pa6 h ARG 458 N 0.22 0.50 -0.50 0.00 2.43 -0.81 -2.00 114.38 114.23 1pa6 h ARG 458 Ca 0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1pa6 h ARG 458 Cb 0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1pa6 h ARG 458 CO -0.01 0.33 0.32 -0.22 -1.51 0.00 0.00 179.97 178.89 1pa6 h LYS 459 N 0.52 0.66 -0.81 0.20 1.63 -0.82 0.67 116.57 118.62 1pa6 h LYS 459 Ca 0.21 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1pa6 h LYS 459 Cb 0.09 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1pa6 h LYS 459 CO -0.13 0.45 0.38 0.87 -3.45 0.00 0.00 179.45 177.56 1pa6 h LYS 460 N 0.67 1.16 -0.32 1.90 1.57 -1.15 -1.66 116.57 118.75 1pa6 h LYS 460 Ca 0.18 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1pa6 h LYS 460 Cb -0.07 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.03 1pa6 h LYS 460 CO -0.04 0.90 -0.41 -0.07 -0.57 0.00 0.00 179.45 179.26 1pa6 h LEU 461 N 1.15 0.91 -0.72 2.94 3.38 -1.06 -2.04 115.31 119.87 1pa6 h LEU 461 Ca 0.28 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1pa6 h LEU 461 Cb 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1pa6 h LEU 461 CO -0.03 1.23 0.47 -0.33 0.09 0.00 0.00 178.44 179.86 1pa6 h GLU 462 N 0.62 0.91 -0.60 1.13 5.08 -0.55 -0.23 114.58 120.94 1pa6 h GLU 462 Ca 0.04 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1pa6 h GLU 462 Cb 1.01 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1pa6 h GLU 462 CO 0.10 0.60 0.07 -0.44 -1.00 0.00 0.00 179.01 178.34 1pa6 h ASP 463 N 0.94 0.94 -0.87 1.42 3.32 -1.22 -2.10 116.42 118.84 1pa6 h ASP 463 Ca 0.27 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1pa6 h ASP 463 Cb -0.06 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 1pa6 h ASP 463 CO -0.08 0.96 0.47 0.28 -1.72 0.00 0.00 179.24 179.15 1pa6 h SER 464 N 0.92 1.10 0.02 6.45 0.02 -0.66 -2.33 113.55 119.06 1pa6 h SER 464 Ca 0.18 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1pa6 h SER 464 Cb 0.44 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1pa6 h SER 464 CO 0.01 0.88 -0.22 0.00 -1.14 0.00 0.00 176.83 176.37 1pa6 h ALA 465 N 1.29 -0.29 -1.00 3.77 0.00 -0.41 0.12 119.26 122.74 1pa6 h ALA 465 Ca 0.31 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1pa6 h ALA 465 Cb 0.04 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1pa6 h ALA 465 CO -0.05 -0.72 0.65 0.93 0.00 0.00 0.00 179.25 180.07 1pa6 h GLU 466 N -0.35 1.21 -0.47 0.00 5.08 -1.10 -2.33 114.58 116.61 1pa6 h GLU 466 Ca 0.06 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1pa6 h GLU 466 Cb 0.42 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1pa6 h GLU 466 CO -0.19 0.80 0.08 -0.07 -1.00 0.00 0.00 179.01 178.63 1pa6 h LEU 467 N 1.24 0.75 -0.66 1.33 4.07 -0.85 -2.27 115.31 118.92 1pa6 h LEU 467 Ca 0.41 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1pa6 h LEU 467 Cb 0.05 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.56 1pa6 h LEU 467 CO -0.14 0.82 0.29 -0.07 -1.08 0.00 0.00 178.44 178.26 1pa6 h LEU 468 N 0.65 0.89 -0.30 1.67 3.38 -0.32 -2.83 115.31 118.45 1pa6 h LEU 468 Ca 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pa6 h LEU 468 Cb 0.38 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pa6 h LEU 468 CO 0.01 0.80 -0.09 0.35 0.09 0.00 0.00 178.44 179.60 1pa6 n THR 469 N -4.43 0.00 -2.37 0.22 -2.24 -0.92 -4.00 114.28 100.53 1pa6 n THR 469 Ca 0.05 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 1pa6 n THR 469 Cb 0.15 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 1pa6 n THR 469 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1pa6 s LYS 470 N -2.37 3.70 0.38 -0.78 2.20 -0.86 -4.93 119.74 117.09 1pa6 s LYS 470 Ca 0.32 1.58 -0.28 0.00 -0.36 0.00 0.00 55.97 57.23 1pa6 s LYS 470 Cb 0.20 -2.22 -0.10 0.00 -1.51 0.00 0.00 37.83 34.20 1pa6 s LYS 470 CO 0.45 -0.55 1.40 0.12 -0.36 0.00 0.00 175.35 176.40 1pa6 s PHE 471 N -1.74 2.74 -0.15 4.03 5.36 -1.26 -2.51 117.98 124.44 1pa6 s PHE 471 Ca 0.67 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 1pa6 s PHE 471 Cb -0.23 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 1pa6 s PHE 471 CO 0.27 -2.51 0.00 0.09 -1.46 0.00 0.00 175.22 171.61 1pa6 n ASN 472 N 0.42 -4.04 -4.79 6.13 3.02 -1.26 -4.60 115.26 110.14 1pa6 n ASN 472 Ca 0.02 0.03 -0.37 0.00 -0.03 0.00 0.00 54.58 54.23 1pa6 n ASN 472 Cb 0.41 -1.66 -0.06 0.00 -0.61 0.00 0.00 39.78 37.85 1pa6 n ASN 472 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pa6 s SER 473 N -2.17 6.62 0.24 6.41 0.01 -1.05 -0.23 113.70 123.53 1pa6 s SER 473 Ca 0.00 0.73 0.03 0.00 1.31 0.00 0.00 55.95 58.02 1pa6 s SER 473 Cb 0.00 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1pa6 s SER 473 CO 0.00 0.21 0.01 -0.31 0.41 0.00 0.00 173.24 173.56 1pa6 s TYR 474 N -0.30 1.58 -0.07 2.43 1.51 -0.64 -4.47 117.35 117.39 1pa6 s TYR 474 Ca 0.21 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.34 1pa6 s TYR 474 Cb -0.15 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1pa6 s TYR 474 CO 0.09 -0.07 -0.17 0.08 -1.11 0.00 0.00 175.55 174.36 1pa6 s VAL 475 N -3.45 1.50 -0.26 0.71 1.01 0.25 -1.55 120.40 118.61 1pa6 s VAL 475 Ca 0.30 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1pa6 s VAL 475 Cb 0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1pa6 s VAL 475 CO 0.10 0.44 0.08 -0.62 0.00 0.00 0.00 175.10 175.09 1pa6 s ASP 476 N 0.45 5.14 0.09 3.32 3.68 -1.26 -1.51 116.67 126.58 1pa6 s ASP 476 Ca -0.14 -0.31 -0.06 0.00 2.13 0.00 0.00 52.55 54.16 1pa6 s ASP 476 Cb -0.16 -1.92 -0.01 0.00 -1.45 0.00 0.00 42.92 39.38 1pa6 s ASP 476 CO 0.05 -0.07 0.13 0.00 0.13 0.00 0.00 175.17 175.42 1pa6 s ALA 477 N 1.60 0.04 -0.13 3.66 0.00 -0.29 -4.41 121.76 122.23 1pa6 s ALA 477 Ca 0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1pa6 s ALA 477 Cb -0.16 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1pa6 s ALA 477 CO 0.03 -0.49 -0.06 0.08 0.00 0.00 0.00 175.76 175.33 1pa6 s VAL 478 N -3.90 3.75 0.13 0.00 1.01 -1.25 -0.94 120.40 119.20 1pa6 s VAL 478 Ca 0.08 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.72 1pa6 s VAL 478 Cb 0.06 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1pa6 s VAL 478 CO -0.09 0.53 -0.21 0.68 0.00 0.00 0.00 175.10 176.00 1pa6 s VAL 479 N 0.06 1.88 -0.10 2.92 -7.23 0.15 -0.67 120.40 117.41 1pa6 s VAL 479 Ca -0.01 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1pa6 s VAL 479 Cb -0.14 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.06 1pa6 s VAL 479 CO 0.03 -0.11 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.81 1pa6 s GLU 480 N -2.23 2.68 -0.10 4.82 2.12 -0.32 -0.07 118.70 125.60 1pa6 s GLU 480 Ca 0.11 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1pa6 s GLU 480 Cb -0.09 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.17 1pa6 s GLU 480 CO 0.06 0.08 1.10 0.50 -0.54 0.00 0.00 175.26 176.45 1pa6 s ARG 481 N 0.60 4.37 -0.12 4.30 3.52 0.14 -1.29 118.95 130.47 1pa6 s ARG 481 Ca -0.14 1.52 -0.04 0.00 -0.13 0.00 0.00 55.73 56.94 1pa6 s ARG 481 Cb -0.17 -3.56 0.06 0.00 -1.56 0.00 0.00 34.95 29.72 1pa6 s ARG 481 CO 0.04 -0.41 0.13 0.50 -0.81 0.00 0.00 175.30 174.76 1pa6 s ARG 482 N 2.24 0.05 -1.26 5.12 3.52 0.16 -4.89 118.95 123.89 1pa6 s ARG 482 Ca 0.51 0.29 -0.08 0.00 -0.13 0.00 0.00 55.73 56.33 1pa6 s ARG 482 Cb -0.21 -0.90 -0.01 0.00 -1.56 0.00 0.00 34.95 32.27 1pa6 s ARG 482 CO 0.19 -0.47 0.66 -1.71 -0.81 0.00 0.00 175.30 173.16 1pa6 n ASN 483 N 5.31 -2.66 0.00 -2.12 5.15 -1.26 -1.95 115.26 117.73 1pa6 n ASN 483 Ca -0.05 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1pa6 n ASN 483 Cb 0.50 -3.59 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 1pa6 n ASN 483 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pa6 n GLY 484 N -1.71 1.07 3.58 8.20 0.00 -1.26 -5.00 105.19 110.06 1pa6 n GLY 484 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1pa6 n GLY 484 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pa6 s PHE 485 N -3.20 2.46 -0.19 1.61 0.40 -0.82 -5.13 117.98 113.11 1pa6 s PHE 485 Ca 0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1pa6 s PHE 485 Cb 0.00 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 42.18 1pa6 s PHE 485 CO 0.00 0.56 -0.13 0.71 0.70 0.00 0.00 175.22 177.06 1pa6 s TYR 486 N -2.54 2.85 -0.07 0.36 1.51 -1.26 0.40 117.35 118.60 1pa6 s TYR 486 Ca 0.33 -1.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.10 1pa6 s TYR 486 Cb -0.00 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1pa6 s TYR 486 CO 0.18 -0.65 0.04 -0.51 -1.11 0.00 0.00 175.55 173.50 1pa6 s LEU 487 N 1.28 3.78 0.17 -1.29 1.02 -0.41 -0.98 118.68 122.25 1pa6 s LEU 487 Ca 0.04 0.19 -0.30 0.00 0.02 0.00 0.00 54.13 54.08 1pa6 s LEU 487 Cb -0.14 -1.96 -0.07 0.00 0.02 0.00 0.00 46.19 44.03 1pa6 s LEU 487 CO -0.07 0.36 1.02 -0.63 0.02 0.00 0.00 176.35 177.05 1pa6 s ILE 488 N -0.98 4.11 0.03 -0.59 1.01 0.15 -1.18 121.20 123.75 1pa6 s ILE 488 Ca 0.16 1.86 -0.12 0.00 0.00 0.00 0.00 60.65 62.55 1pa6 s ILE 488 Cb -0.12 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.18 1pa6 s ILE 488 CO 0.05 0.34 0.25 -1.59 0.00 0.00 0.00 174.94 174.00 1pa6 s LYS 489 N -0.46 0.71 -1.45 2.79 -2.85 0.15 -2.38 119.74 116.26 1pa6 s LYS 489 Ca 0.47 -0.48 -0.07 0.00 -1.00 0.00 0.00 55.97 54.89 1pa6 s LYS 489 Cb -0.27 0.31 0.05 0.00 -2.06 0.00 0.00 37.83 35.85 1pa6 s LYS 489 CO 0.33 -0.21 0.75 -0.25 0.10 0.00 0.00 175.35 176.07 1pa6 n ASP 490 N 0.83 -2.47 -3.78 0.03 8.00 -1.26 -3.95 116.55 113.95 1pa6 n ASP 490 Ca -0.20 -0.86 -0.16 0.00 0.71 0.00 0.00 54.79 54.28 1pa6 n ASP 490 Cb 0.58 -3.66 -0.16 0.00 -0.02 0.00 0.00 41.12 37.86 1pa6 n ASP 490 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pa6 s THR 491 N -3.56 0.00 0.01 -3.53 2.01 -1.26 -1.77 115.64 107.54 1pa6 s THR 491 Ca 0.31 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.52 1pa6 s THR 491 Cb -0.16 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1pa6 s THR 491 CO 0.85 0.11 -0.07 -0.54 -0.69 0.00 0.00 174.62 174.27 1pa6 s LYS 492 N 1.09 0.57 0.29 4.92 1.02 -0.73 -3.99 119.74 122.92 1pa6 s LYS 492 Ca -0.09 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 1pa6 s LYS 492 Cb -0.13 -0.51 -0.10 0.00 -0.52 0.00 0.00 37.83 36.56 1pa6 s LYS 492 CO -0.03 0.13 1.35 -0.51 -0.92 0.00 0.00 175.35 175.37 1pa6 s LEU 493 N -0.48 4.41 -0.11 3.17 1.43 -0.73 -0.52 118.68 125.86 1pa6 s LEU 493 Ca 0.00 2.65 0.14 0.00 -1.03 0.00 0.00 54.13 55.90 1pa6 s LEU 493 Cb -0.04 -3.64 0.47 0.00 0.03 0.00 0.00 46.19 43.01 1pa6 s LEU 493 CO -0.00 -0.59 1.39 2.30 0.23 0.00 0.00 176.35 179.68 1pa6 n ILE 494 N 1.44 1.77 -0.98 -0.59 -5.35 -0.29 -4.87 119.36 110.50 1pa6 n ILE 494 Ca 0.03 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.04 1pa6 n ILE 494 Cb 0.41 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 1pa6 n ILE 494 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57