#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i44 s LEU 2 N 0.00 4.39 -0.49 -0.89 1.43 -0.29 -4.89 118.68 117.95 3i44 s LEU 2 Ca 0.00 1.98 -0.23 0.00 -1.03 0.00 0.00 54.13 54.85 3i44 s LEU 2 Cb 0.00 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.67 3i44 s LEU 2 CO 0.00 -0.39 0.80 0.21 0.23 0.00 0.00 176.35 177.20 3i44 s ASN 3 N 0.83 6.35 -0.33 2.29 3.84 -1.26 -0.56 114.94 126.10 3i44 s ASN 3 Ca 0.56 -0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.46 3i44 s ASN 3 Cb -0.28 -2.38 0.46 0.00 -0.55 0.00 0.00 41.25 38.50 3i44 s ASN 3 CO 0.30 -1.00 1.04 0.29 -2.79 0.00 0.00 177.10 174.94 3i44 n LYS 4 N 6.84 1.92 0.01 0.43 4.76 0.54 -4.88 118.16 127.77 3i44 n LYS 4 Ca 0.01 -3.63 0.13 0.00 -2.87 0.00 0.00 58.31 51.95 3i44 n LYS 4 Cb 0.47 -1.60 0.42 0.00 -1.84 0.00 0.00 35.03 32.48 3i44 n LYS 4 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i44 n ARG 5 N -0.32 0.03 -2.76 1.97 1.74 -1.20 -4.12 116.66 112.00 3i44 n ARG 5 Ca 0.17 0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.99 3i44 n ARG 5 Cb 0.80 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.71 3i44 n ARG 5 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i44 s LYS 6 N -3.01 3.56 0.18 5.56 1.02 -1.26 -3.96 119.74 121.82 3i44 s LYS 6 Ca 0.12 0.16 0.07 0.00 0.02 0.00 0.00 55.97 56.34 3i44 s LYS 6 Cb 0.18 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 3i44 s LYS 6 CO 0.62 -0.14 0.01 -0.06 -0.92 0.00 0.00 175.35 174.86 3i44 s PHE 7 N -2.65 2.85 -0.45 3.18 0.08 0.36 -4.89 117.98 116.47 3i44 s PHE 7 Ca 0.47 -0.14 -0.09 0.00 0.12 0.00 0.00 56.93 57.28 3i44 s PHE 7 Cb -0.10 -1.37 0.10 0.00 -0.57 0.00 0.00 43.02 41.08 3i44 s PHE 7 CO 0.42 0.53 0.31 -0.47 -0.10 0.00 0.00 175.22 175.91 3i44 s TYR 8 N -1.80 3.38 -0.07 0.36 5.04 -0.26 -0.55 117.35 123.46 3i44 s TYR 8 Ca 0.28 -1.68 0.01 0.00 -2.44 0.00 0.00 57.07 53.23 3i44 s TYR 8 Cb -0.09 -3.25 0.02 0.00 0.35 0.00 0.00 41.96 38.99 3i44 s TYR 8 CO 0.19 -0.92 -0.07 0.42 -1.34 0.00 0.00 175.55 173.82 3i44 s ILE 9 N 1.40 0.84 -1.36 3.14 1.01 -0.26 -0.29 121.20 125.69 3i44 s ILE 9 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 3i44 s ILE 9 Cb -0.25 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.40 3i44 s ILE 9 CO 0.01 0.31 0.85 -3.20 0.00 0.00 0.00 174.94 172.91 3i44 n ASN 10 N 4.39 -2.73 0.00 3.58 5.15 -1.26 -2.48 115.26 121.91 3i44 n ASN 10 Ca -0.18 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 3i44 n ASN 10 Cb 0.51 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 3i44 n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i44 n GLY 11 N -1.60 0.75 2.96 8.20 0.00 -1.26 -4.52 105.19 109.72 3i44 n GLY 11 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3i44 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i44 s LEU 12 N 0.00 2.14 -0.27 0.99 1.43 -1.04 -5.04 118.68 116.90 3i44 s LEU 12 Ca 0.00 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 3i44 s LEU 12 Cb 0.00 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.18 3i44 s LEU 12 CO 0.00 -0.13 0.95 0.26 0.23 0.00 0.00 176.35 177.66 3i44 s TRP 13 N -0.80 3.27 0.12 0.29 0.52 -1.26 -1.10 118.94 119.98 3i44 s TRP 13 Ca -0.07 1.22 0.04 0.00 0.02 0.00 0.00 56.10 57.31 3i44 s TRP 13 Cb -0.06 -3.30 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 3i44 s TRP 13 CO -0.00 -0.54 -0.10 0.34 0.02 0.00 0.00 176.95 176.67 3i44 s ASP 14 N 1.40 1.61 0.60 2.95 2.15 0.29 -4.91 116.67 120.76 3i44 s ASP 14 Ca 0.40 -0.90 -0.19 0.00 0.43 0.00 0.00 52.55 52.29 3i44 s ASP 14 Cb -0.14 0.00 -0.03 0.00 -0.30 0.00 0.00 42.92 42.45 3i44 s ASP 14 CO 0.09 -0.29 1.21 -1.81 -0.17 0.00 0.00 175.17 174.20 3i44 s ASP 15 N -2.76 5.12 0.93 -0.34 1.01 -1.26 -0.48 116.67 118.88 3i44 s ASP 15 Ca 0.10 2.40 -0.11 0.00 0.71 0.00 0.00 52.55 55.65 3i44 s ASP 15 Cb -0.00 -2.60 0.15 0.00 1.01 0.00 0.00 42.92 41.48 3i44 s ASP 15 CO 0.00 -1.64 1.09 -2.16 0.21 0.00 0.00 175.17 172.67 3i44 s PRO 16 N -3.36 0.93 0.19 8.23 0.04 -1.26 -4.81 135.00 134.95 3i44 s PRO 16 Ca 0.78 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 3i44 s PRO 16 Cb -0.31 -1.76 0.14 0.00 0.04 0.00 0.00 34.50 32.61 3i44 s PRO 16 CO 0.34 -2.52 1.83 0.77 0.04 0.00 0.00 177.00 177.46 3i44 h SER 17 N -1.76 0.58 -3.82 6.66 0.02 -1.96 -3.42 113.55 109.84 3i44 h SER 17 Ca -0.50 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.09 3i44 h SER 17 Cb 1.28 -0.12 -0.30 0.00 0.14 0.00 0.00 62.40 63.41 3i44 h SER 17 CO 0.51 0.40 -0.76 -0.89 -1.14 0.00 0.00 176.83 174.95 3i44 s THR 18 N -6.13 0.51 0.31 -2.27 2.01 -1.26 -5.13 115.64 103.68 3i44 s THR 18 Ca -0.13 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 3i44 s THR 18 Cb 0.14 -0.46 -0.12 0.00 0.01 0.00 0.00 72.50 72.07 3i44 s THR 18 CO 0.75 0.16 1.45 -2.65 -0.69 0.00 0.00 174.62 173.64 3i44 n PRO 19 N 3.21 2.39 -3.16 4.92 -0.02 -1.26 -4.94 135.00 136.14 3i44 n PRO 19 Ca -0.16 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 3i44 n PRO 19 Cb 0.56 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 3i44 n PRO 19 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i44 s HIS 20 N -0.53 -0.57 0.35 6.00 2.46 -1.26 -5.03 115.29 116.71 3i44 s HIS 20 Ca 0.60 -0.96 -0.27 0.00 0.47 0.00 0.00 55.06 54.91 3i44 s HIS 20 Cb -0.55 -0.20 -0.09 0.00 -0.13 0.00 0.00 32.58 31.61 3i44 s HIS 20 CO 0.56 -1.06 1.14 -0.51 -2.47 0.00 0.00 174.74 172.39 3i44 s ASP 21 N 0.99 6.84 -0.04 9.88 1.11 -1.26 -0.17 116.67 134.02 3i44 s ASP 21 Ca 0.25 2.29 -0.02 0.00 0.18 0.00 0.00 52.55 55.25 3i44 s ASP 21 Cb -0.05 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.36 3i44 s ASP 21 CO -0.08 -0.45 0.09 -0.22 1.18 0.00 0.00 175.17 175.70 3i44 s LEU 22 N -2.10 0.90 0.17 1.23 2.96 0.29 -4.85 118.68 117.28 3i44 s LEU 22 Ca 0.52 0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 54.32 3i44 s LEU 22 Cb -0.30 0.17 -0.07 0.00 0.50 0.00 0.00 46.19 46.48 3i44 s LEU 22 CO 0.39 -0.14 0.92 -0.31 -1.32 0.00 0.00 176.35 175.89 3i44 s TYR 23 N 1.10 3.90 -0.21 5.38 2.02 -1.26 -0.68 117.35 127.59 3i44 s TYR 23 Ca -0.09 1.81 -0.20 0.00 -0.37 0.00 0.00 57.07 58.22 3i44 s TYR 23 Cb -0.12 -2.97 -0.02 0.00 -0.40 0.00 0.00 41.96 38.44 3i44 s TYR 23 CO -0.04 0.36 0.61 0.08 -1.57 0.00 0.00 175.55 174.98 3i44 s VAL 24 N -0.66 5.03 -0.07 0.71 1.01 0.15 -4.94 120.40 121.63 3i44 s VAL 24 Ca 0.42 1.13 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 3i44 s VAL 24 Cb -0.24 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3i44 s VAL 24 CO 0.30 0.10 0.46 -0.63 0.00 0.00 0.00 175.10 175.33 3i44 s ILE 25 N 2.00 5.10 -0.51 2.22 -1.09 -1.26 -0.69 121.20 126.97 3i44 s ILE 25 Ca 0.27 0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 59.33 3i44 s ILE 25 Cb -0.16 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 36.96 3i44 s ILE 25 CO 0.10 0.42 1.20 -0.62 -1.23 0.00 0.00 174.94 174.81 3i44 s ASP 26 N -0.05 6.52 0.09 3.58 -1.08 -0.08 -4.72 116.67 120.93 3i44 s ASP 26 Ca 0.25 0.37 0.19 0.00 -0.52 0.00 0.00 52.55 52.84 3i44 s ASP 26 Cb -0.16 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.53 3i44 s ASP 26 CO 0.12 -1.37 1.58 -0.81 0.52 0.00 0.00 175.17 175.21 3i44 n PRO 27 N 8.11 0.07 0.15 4.34 -0.04 -1.26 -0.39 135.00 145.99 3i44 n PRO 27 Ca 0.11 0.29 0.02 0.00 -0.04 0.00 0.00 63.50 63.89 3i44 n PRO 27 Cb 0.49 -1.63 0.13 0.00 -0.04 0.00 0.00 33.50 32.45 3i44 n PRO 27 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3i44 h SER 28 N 0.00 0.00 0.00 3.54 0.02 -1.89 -2.27 113.55 112.94 3i44 h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i44 h SER 28 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3i44 h SER 28 CO 0.00 0.53 -0.90 0.35 -1.14 0.00 0.00 176.83 175.67 3i44 n THR 29 N -3.38 0.00 -1.00 -2.27 -2.24 -0.89 -4.16 114.28 100.33 3i44 n THR 29 Ca 0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3i44 n THR 29 Cb 0.67 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3i44 n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i44 n GLU 30 N -1.45 -0.63 -4.02 -0.78 1.02 0.48 -4.49 120.64 110.77 3i44 n GLU 30 Ca -0.00 0.16 -0.32 0.00 -0.02 0.00 0.00 57.16 56.98 3i44 n GLU 30 Cb 0.01 -3.63 -0.06 0.00 -0.02 0.00 0.00 31.44 27.74 3i44 n GLU 30 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i44 s GLU 31 N -0.64 3.11 0.13 3.49 2.02 -1.22 -4.87 118.70 120.73 3i44 s GLU 31 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 3i44 s GLU 31 Cb 0.00 -2.87 -0.10 0.00 0.10 0.00 0.00 34.13 31.26 3i44 s GLU 31 CO 0.00 0.61 1.68 0.00 0.02 0.00 0.00 175.26 177.57 3i44 s ALA 32 N -1.35 3.77 -0.38 5.21 0.00 -1.26 -0.90 121.76 126.85 3i44 s ALA 32 Ca 0.28 1.38 0.14 0.00 0.00 0.00 0.00 51.96 53.76 3i44 s ALA 32 Cb -0.12 -3.69 -0.17 0.00 0.00 0.00 0.00 23.12 19.13 3i44 s ALA 32 CO 0.21 -1.00 0.46 0.00 0.00 0.00 0.00 175.76 175.42 3i44 s ALA 34 N -2.55 -1.62 -0.07 0.00 0.00 -1.22 -1.14 121.76 115.16 3i44 s ALA 34 Ca 0.01 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.48 3i44 s ALA 34 Cb 0.10 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3i44 s ALA 34 CO 0.56 -0.84 -0.24 0.54 0.00 0.00 0.00 175.76 175.78 3i44 s VAL 35 N -3.48 1.98 0.40 0.00 0.11 0.27 -0.67 120.40 119.01 3i44 s VAL 35 Ca 0.06 -1.01 0.05 0.00 -2.93 0.00 0.00 61.98 58.15 3i44 s VAL 35 Cb -0.02 -1.69 -0.06 0.00 -1.53 0.00 0.00 36.38 33.08 3i44 s VAL 35 CO -0.05 0.55 0.03 0.27 -3.33 0.00 0.00 175.10 172.56 3i44 s ILE 36 N 0.04 1.60 -0.13 7.04 -4.36 0.15 -0.34 121.20 125.20 3i44 s ILE 36 Ca -0.09 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.26 3i44 s ILE 36 Cb -0.15 -2.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 3i44 s ILE 36 CO 0.05 0.00 0.03 -0.44 0.24 0.00 0.00 174.94 174.82 3i44 s SER 37 N -3.67 5.40 -0.35 4.36 0.01 -1.25 -0.55 113.70 117.65 3i44 s SER 37 Ca 0.31 0.12 -0.23 0.00 1.31 0.00 0.00 55.95 57.46 3i44 s SER 37 Cb 0.08 -1.72 0.01 0.00 0.21 0.00 0.00 66.02 64.60 3i44 s SER 37 CO 0.15 0.30 0.77 -0.76 0.41 0.00 0.00 173.24 174.10 3i44 s LEU 38 N -0.37 4.13 0.84 2.44 1.43 0.77 -4.34 118.68 123.57 3i44 s LEU 38 Ca 0.08 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3i44 s LEU 38 Cb -0.12 -3.01 0.10 0.00 0.03 0.00 0.00 46.19 43.18 3i44 s LEU 38 CO 0.02 -0.68 1.09 -0.83 0.23 0.00 0.00 176.35 176.18 3i44 s GLY 39 N 1.77 1.63 0.56 -3.19 0.00 -0.07 -4.50 107.32 103.52 3i44 s GLY 39 Ca 0.31 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 45.01 3i44 s GLY 39 CO 0.15 0.38 0.40 -1.35 0.00 0.00 0.00 173.10 172.68 3i44 s SER 40 N -3.59 4.59 0.42 1.64 1.04 -1.26 -4.72 113.70 111.81 3i44 s SER 40 Ca 0.62 -1.31 0.10 0.00 0.48 0.00 0.00 55.95 55.84 3i44 s SER 40 Cb -0.16 0.54 0.90 0.00 0.10 0.00 0.00 66.02 67.40 3i44 s SER 40 CO 0.56 -1.15 2.00 0.71 0.98 0.00 0.00 173.24 176.34 3i44 h THR 41 N 0.72 1.12 -0.74 2.02 1.35 -1.98 -2.40 112.91 113.00 3i44 h THR 41 Ca -0.36 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.03 3i44 h THR 41 Cb 1.31 0.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 3i44 h THR 41 CO 0.57 0.15 0.41 0.03 -0.25 0.00 0.00 175.52 176.43 3i44 h ARG 42 N 0.29 1.04 -0.61 4.72 -0.00 -1.99 -0.37 114.38 117.46 3i44 h ARG 42 Ca 0.07 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.98 59.35 3i44 h ARG 42 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 29.91 3i44 h ARG 42 CO 0.00 0.77 0.08 -0.44 0.00 0.00 0.00 179.97 180.38 3i44 h ASP 43 N 1.03 0.96 -0.55 7.04 3.32 -1.83 -1.81 116.42 124.57 3i44 h ASP 43 Ca 0.26 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3i44 h ASP 43 Cb 0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3i44 h ASP 43 CO -0.04 0.97 0.29 0.00 -1.72 0.00 0.00 179.24 178.73 3i44 h ALA 44 N 1.14 0.71 -0.71 3.45 0.00 -1.11 -1.75 119.26 120.99 3i44 h ALA 44 Ca 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i44 h ALA 44 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3i44 h ALA 44 CO 0.01 0.25 0.35 -0.44 0.00 0.00 0.00 179.25 179.42 3i44 h ASP 45 N 0.74 0.93 0.39 0.00 3.32 -0.73 0.05 116.42 121.13 3i44 h ASP 45 Ca 0.19 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3i44 h ASP 45 Cb 0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3i44 h ASP 45 CO -0.03 0.80 -0.29 0.11 -1.72 0.00 0.00 179.24 178.11 3i44 h LYS 46 N 1.00 -0.66 -0.42 3.56 1.57 -1.13 0.86 116.57 121.34 3i44 h LYS 46 Ca 0.25 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.15 3i44 h LYS 46 Cb 0.11 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 3i44 h LYS 46 CO -0.03 -0.44 -0.01 0.00 -0.57 0.00 0.00 179.45 178.40 3i44 h ALA 47 N -0.16 0.38 -0.64 3.86 0.00 -1.07 -1.19 119.26 120.44 3i44 h ALA 47 Ca -0.04 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3i44 h ALA 47 Cb 0.59 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3i44 h ALA 47 CO 0.00 -0.39 0.09 0.82 0.00 0.00 0.00 179.25 179.76 3i44 h ILE 48 N 0.10 1.26 -0.73 0.00 2.04 -0.79 -1.48 117.51 117.92 3i44 h ILE 48 Ca 0.21 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 3i44 h ILE 48 Cb 0.30 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3i44 h ILE 48 CO -0.35 0.39 0.35 0.78 0.00 0.00 0.00 178.15 179.32 3i44 h ASN 49 N 0.99 0.95 -0.96 1.72 2.35 -0.47 -0.06 115.58 120.11 3i44 h ASN 49 Ca 0.19 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3i44 h ASN 49 Cb 0.46 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3i44 h ASN 49 CO 0.02 0.82 0.61 0.00 -1.65 0.00 0.00 177.43 177.23 3i44 h ALA 50 N 1.17 1.27 -0.22 -0.83 0.00 -0.85 -2.12 119.26 117.69 3i44 h ALA 50 Ca 0.25 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3i44 h ALA 50 Cb 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i44 h ALA 50 CO -0.03 0.65 -0.43 0.00 0.00 0.00 0.00 179.25 179.45 3i44 h ALA 51 N 1.36 0.34 -0.47 0.00 0.00 -0.66 -2.08 119.26 117.75 3i44 h ALA 51 Ca 0.35 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3i44 h ALA 51 Cb -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i44 h ALA 51 CO -0.07 0.47 0.31 1.57 0.00 0.00 0.00 179.25 181.52 3i44 h LYS 52 N 0.38 0.61 -0.32 0.00 2.10 -0.91 -1.29 116.57 117.13 3i44 h LYS 52 Ca 0.01 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 3i44 h LYS 52 Cb 1.03 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.21 3i44 h LYS 52 CO 0.10 0.40 0.12 0.87 -2.00 0.00 0.00 179.45 178.94 3i44 h LYS 53 N 0.63 0.48 -0.20 0.07 1.79 -1.38 -2.93 116.57 115.03 3i44 h LYS 53 Ca 0.18 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 3i44 h LYS 53 Cb -0.06 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 3i44 h LYS 53 CO -0.05 0.50 0.01 0.00 -1.08 0.00 0.00 179.45 178.83 3i44 h ALA 54 N 0.96 1.64 -0.78 3.86 0.00 -1.19 -3.10 119.26 120.65 3i44 h ALA 54 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3i44 h ALA 54 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3i44 h ALA 54 CO -0.01 0.27 0.39 0.35 0.00 0.00 0.00 179.25 180.25 3i44 h PHE 55 N 0.29 1.09 -0.89 0.00 3.57 -1.04 0.12 116.94 120.08 3i44 h PHE 55 Ca 0.07 -0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.70 3i44 h PHE 55 Cb 0.19 -0.34 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 3i44 h PHE 55 CO 0.00 0.78 0.58 1.96 -2.23 0.00 0.00 178.31 179.41 3i44 h GLN 56 N 1.10 0.53 0.00 1.11 1.08 -1.58 -1.16 115.11 116.20 3i44 h GLN 56 Ca 0.27 -0.03 -0.35 0.00 -1.45 0.00 0.00 58.65 57.09 3i44 h GLN 56 Cb 0.09 -0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.33 3i44 h GLN 56 CO -0.04 0.35 -2.33 0.25 -0.95 0.00 0.00 178.83 176.12 3i44 n THR 57 N -4.55 1.33 -0.12 -0.54 -2.24 -0.87 -4.51 114.28 102.77 3i44 n THR 57 Ca 0.19 -0.76 -0.03 0.00 -2.27 0.00 0.00 64.05 61.17 3i44 n THR 57 Cb 0.58 -0.64 0.19 0.00 -2.10 0.00 0.00 70.33 68.37 3i44 n THR 57 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3i44 h TRP 58 N 0.00 0.84 0.00 4.78 2.91 -0.55 -2.67 115.95 121.26 3i44 h TRP 58 Ca -0.52 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 59.42 3i44 h TRP 58 Cb 2.12 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 30.53 3i44 h TRP 58 CO 0.00 0.71 0.00 1.57 -1.03 0.00 0.00 178.44 179.70 3i44 h LYS 59 N 0.79 0.00 -0.02 2.65 2.10 -1.35 -2.47 116.57 118.26 3i44 h LYS 59 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 3i44 h LYS 59 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3i44 h LYS 59 CO -0.00 0.00 -0.14 0.25 -2.00 0.00 0.00 179.45 177.56 3i44 n THR 60 N -2.55 0.00 -2.07 0.07 -2.24 -1.01 -4.94 114.28 101.54 3i44 n THR 60 Ca -0.00 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 3i44 n THR 60 Cb 0.14 1.18 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 3i44 n THR 60 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i44 s THR 61 N -2.16 2.74 0.61 4.28 -4.23 -0.93 -5.01 115.64 110.94 3i44 s THR 61 Ca 0.27 0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 3i44 s THR 61 Cb 0.20 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3i44 s THR 61 CO 0.39 -0.10 1.03 -0.94 -0.54 0.00 0.00 174.62 174.46 3i44 s SER 62 N -1.62 6.26 0.27 3.99 1.04 -1.26 -4.91 113.70 117.47 3i44 s SER 62 Ca 0.76 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.63 3i44 s SER 62 Cb -0.29 -2.47 0.53 0.00 0.10 0.00 0.00 66.02 63.88 3i44 s SER 62 CO 0.32 -0.85 1.82 -0.65 0.98 0.00 0.00 173.24 174.86 3i44 h PRO 63 N -0.22 0.90 -0.35 4.02 0.11 -1.94 -1.85 132.00 132.66 3i44 h PRO 63 Ca -0.44 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.68 3i44 h PRO 63 Cb 1.19 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 32.03 3i44 h PRO 63 CO 0.62 0.60 -0.08 1.25 -0.21 0.00 0.00 178.00 180.18 3i44 h HIS 64 N 0.93 -0.16 -0.38 0.65 -0.00 -1.99 0.10 115.15 114.29 3i44 h HIS 64 Ca 0.48 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.77 3i44 h HIS 64 Cb 0.49 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 3i44 h HIS 64 CO -0.02 -0.14 -0.21 0.93 -0.00 0.00 0.00 177.93 178.49 3i44 h GLU 65 N 0.01 0.81 -0.53 5.26 5.08 -1.76 -2.00 114.58 121.44 3i44 h GLU 65 Ca 0.17 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3i44 h GLU 65 Cb 0.26 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3i44 h GLU 65 CO -0.35 0.99 0.33 0.00 -1.00 0.00 0.00 179.01 178.98 3i44 h ARG 66 N 0.61 0.64 -0.97 2.33 3.08 -1.22 -1.71 114.38 117.13 3i44 h ARG 66 Ca 0.08 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.11 3i44 h ARG 66 Cb 0.76 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 3i44 h ARG 66 CO 0.06 0.42 0.64 1.25 -1.07 0.00 0.00 179.97 181.27 3i44 h LEU 67 N 0.66 1.09 -1.01 3.04 5.85 -0.70 -2.06 115.31 122.18 3i44 h LEU 67 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3i44 h LEU 67 Cb -0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3i44 h LEU 67 CO -0.08 0.77 0.43 1.23 -0.34 0.00 0.00 178.44 180.45 3i44 h GLY 68 N 1.28 1.20 1.01 3.75 0.00 -0.86 0.15 103.07 109.60 3i44 h GLY 68 Ca 0.37 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3i44 h GLY 68 CO -0.09 0.52 0.21 0.74 0.00 0.00 0.00 176.54 177.92 3i44 h PHE 69 N 1.13 0.96 -0.44 5.60 0.04 -0.91 -1.88 116.94 121.45 3i44 h PHE 69 Ca 0.28 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 3i44 h PHE 69 Cb 0.04 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 3i44 h PHE 69 CO 0.01 0.78 -0.05 0.28 -0.60 0.00 0.00 178.31 178.73 3i44 h VAL 70 N 0.87 1.24 -0.66 -0.55 2.07 -0.76 0.34 116.25 118.81 3i44 h VAL 70 Ca 0.20 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 3i44 h VAL 70 Cb 0.25 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3i44 h VAL 70 CO -0.01 0.36 0.12 -0.33 0.02 0.00 0.00 177.57 177.73 3i44 h GLU 71 N 0.69 1.07 -0.60 1.57 5.08 -0.90 -1.06 114.58 120.42 3i44 h GLU 71 Ca 0.13 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3i44 h GLU 71 Cb 0.50 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3i44 h GLU 71 CO 0.03 0.97 0.10 -0.22 -1.00 0.00 0.00 179.01 178.89 3i44 h LYS 72 N 1.00 1.00 -0.30 2.33 1.63 -0.94 -1.49 116.57 119.80 3i44 h LYS 72 Ca 0.20 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3i44 h LYS 72 Cb 0.41 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 3i44 h LYS 72 CO 0.01 0.94 0.18 0.82 -3.45 0.00 0.00 179.45 177.94 3i44 h ILE 73 N 0.90 1.04 -0.36 2.00 2.04 -0.66 -1.05 117.51 121.42 3i44 h ILE 73 Ca 0.18 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.96 3i44 h ILE 73 Cb 0.42 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3i44 h ILE 73 CO 0.01 0.07 0.14 0.25 0.00 0.00 0.00 178.15 178.62 3i44 h LEU 74 N 0.36 0.17 -0.40 1.44 5.85 -0.98 0.18 115.31 121.92 3i44 h LEU 74 Ca 0.11 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3i44 h LEU 74 Cb -0.01 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3i44 h LEU 74 CO -0.05 0.13 0.14 -0.08 -0.34 0.00 0.00 178.44 178.25 3i44 h GLU 75 N 0.30 0.29 -0.19 1.25 4.81 -0.85 -0.01 114.58 120.18 3i44 h GLU 75 Ca 0.16 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 3i44 h GLU 75 Cb 0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3i44 h GLU 75 CO -0.15 0.19 -0.54 0.82 -0.73 0.00 0.00 179.01 178.60 3i44 h ILE 76 N 0.30 1.32 -0.52 2.32 2.04 -0.95 -2.27 117.51 119.75 3i44 h ILE 76 Ca 0.19 -1.78 0.06 0.00 1.00 0.00 0.00 64.86 64.32 3i44 h ILE 76 Cb 0.17 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 3i44 h ILE 76 CO -0.19 0.56 0.24 0.22 0.00 0.00 0.00 178.15 178.97 3i44 h TYR 77 N 0.44 0.43 -0.59 1.37 3.20 -0.22 -0.75 116.97 120.85 3i44 h TYR 77 Ca 0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3i44 h TYR 77 Cb 1.08 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3i44 h TYR 77 CO 0.05 0.19 0.10 0.93 -1.64 0.00 0.00 178.16 177.78 3i44 h GLU 78 N 0.46 0.98 -0.44 1.82 4.39 -0.92 -1.90 114.58 118.97 3i44 h GLU 78 Ca 0.24 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.70 3i44 h GLU 78 Cb 0.19 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3i44 h GLU 78 CO -0.19 0.92 0.29 -0.22 -1.16 0.00 0.00 179.01 178.65 3i44 h LYS 79 N 0.88 0.49 -0.57 2.33 3.64 -0.79 -2.47 116.57 120.08 3i44 h LYS 79 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3i44 h LYS 79 Cb 0.41 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3i44 h LYS 79 CO 0.01 0.33 0.00 0.54 -2.27 0.00 0.00 179.45 178.06 3i44 n ARG 80 N -4.48 3.96 -0.20 1.90 5.12 -0.34 -4.64 116.66 117.97 3i44 n ARG 80 Ca 0.04 -2.93 -0.02 0.00 -1.93 0.00 0.00 57.85 53.01 3i44 n ARG 80 Cb 0.13 -1.97 0.19 0.00 -1.16 0.00 0.00 32.46 29.65 3i44 n ARG 80 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3i44 h SER 81 N 3.73 0.88 1.31 0.55 4.64 -0.87 -0.54 113.55 123.26 3i44 h SER 81 Ca 0.00 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 3i44 h SER 81 Cb 1.57 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 3i44 h SER 81 CO 0.30 0.74 -0.65 0.77 -0.87 0.00 0.00 176.83 177.11 3i44 h SER 82 N 0.97 0.00 -0.94 4.97 4.64 -1.83 -0.19 113.55 121.18 3i44 h SER 82 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3i44 h SER 82 Cb 0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 3i44 h SER 82 CO -0.03 0.65 0.60 0.44 -0.87 0.00 0.00 176.83 177.62 3i44 h ASP 83 N 0.00 1.10 -0.22 4.97 3.32 -1.75 -2.03 116.42 121.81 3i44 h ASP 83 Ca -0.01 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3i44 h ASP 83 Cb 1.49 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3i44 h ASP 83 CO 0.08 0.82 -0.05 -0.03 -1.72 0.00 0.00 179.24 178.34 3i44 h MET 84 N 1.28 0.42 -0.35 3.56 4.05 -0.76 -1.52 114.93 121.60 3i44 h MET 84 Ca 0.34 -0.16 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 3i44 h MET 84 Cb -0.11 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 3i44 h MET 84 CO -0.07 0.66 0.08 0.00 0.23 0.00 0.00 176.91 177.81 3i44 h ALA 85 N 0.75 0.38 -0.77 0.39 0.00 -0.97 -0.13 119.26 118.91 3i44 h ALA 85 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i44 h ALA 85 Cb 0.50 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3i44 h ALA 85 CO 0.02 -0.32 0.34 1.57 0.00 0.00 0.00 179.25 180.86 3i44 h LYS 86 N 0.21 1.13 -0.16 0.00 2.10 -1.31 -0.80 116.57 117.73 3i44 h LYS 86 Ca 0.16 -0.19 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 3i44 h LYS 86 Cb 0.18 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 3i44 h LYS 86 CO -0.21 0.90 0.05 1.15 -2.00 0.00 0.00 179.45 179.35 3i44 h THR 87 N 1.10 1.18 -0.11 0.07 2.02 -0.97 -0.52 112.91 115.67 3i44 h THR 87 Ca 0.26 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3i44 h THR 87 Cb 0.17 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3i44 h THR 87 CO -0.03 0.17 0.06 0.40 0.37 0.00 0.00 175.52 176.49 3i44 h ILE 88 N 0.08 1.11 -0.31 3.11 2.04 -0.93 -1.23 117.51 121.37 3i44 h ILE 88 Ca 0.05 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.67 3i44 h ILE 88 Cb 0.21 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 3i44 h ILE 88 CO -0.00 0.10 -0.13 -1.28 0.00 0.00 0.00 178.15 176.83 3i44 h SER 89 N 0.06 -0.45 -0.20 1.72 0.87 -1.06 -1.48 113.55 113.01 3i44 h SER 89 Ca 0.04 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3i44 h SER 89 Cb 0.11 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3i44 h SER 89 CO -0.01 -0.17 0.13 -0.03 -0.53 0.00 0.00 176.83 176.22 3i44 h MET 90 N -0.08 0.27 0.00 2.24 1.85 -0.87 0.12 114.93 118.45 3i44 h MET 90 Ca 0.16 -0.02 -0.20 0.00 -0.61 0.00 0.00 59.70 59.03 3i44 h MET 90 Cb 0.32 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.26 3i44 h MET 90 CO -0.37 0.20 -0.93 1.05 -0.40 0.00 0.00 176.91 176.47 3i44 h GLU 91 N 0.25 0.00 0.00 0.39 4.11 -1.06 -3.38 114.58 114.90 3i44 h GLU 91 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3i44 h GLU 91 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i44 h GLU 91 CO -0.01 0.93 0.00 0.00 0.07 0.00 0.00 179.01 180.00 3i44 n MET 92 N -3.36 0.49 -0.15 1.06 0.00 -0.57 -4.61 117.12 109.98 3i44 n MET 92 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.47 3i44 n MET 92 Cb 0.90 -0.68 0.00 0.00 0.00 0.00 0.00 33.22 33.44 3i44 n MET 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i44 n GLY 93 N 0.13 0.69 3.68 3.17 0.00 0.40 -4.39 105.19 108.87 3i44 n GLY 93 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3i44 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i44 n ALA 94 N -1.54 1.66 -1.66 4.61 0.00 -1.23 -4.06 120.51 118.29 3i44 n ALA 94 Ca 0.00 0.31 -0.45 0.00 0.00 0.00 0.00 53.44 53.30 3i44 n ALA 94 Cb 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 3i44 n ALA 94 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i44 n PRO 95 N 5.76 1.96 -0.27 0.00 -0.02 -1.26 -4.29 135.00 136.88 3i44 n PRO 95 Ca 0.19 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 3i44 n PRO 95 Cb 0.34 -2.36 0.42 0.00 -0.02 0.00 0.00 33.50 31.88 3i44 n PRO 95 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3i44 h ILE 96 N 3.13 0.76 0.11 4.25 6.09 -1.02 0.14 117.51 130.97 3i44 h ILE 96 Ca -0.45 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 62.83 3i44 h ILE 96 Cb 1.28 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.68 3i44 h ILE 96 CO 0.78 0.11 -0.05 0.44 -3.07 0.00 0.00 178.15 176.35 3i44 h ASP 97 N 0.59 -0.12 1.26 2.19 3.32 -1.82 -1.65 116.42 120.19 3i44 h ASP 97 Ca 0.47 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 3i44 h ASP 97 Cb 0.91 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 3i44 h ASP 97 CO -0.22 -0.03 -0.14 0.00 -1.72 0.00 0.00 179.24 177.14 3i44 h MET 98 N -0.21 0.00 -0.79 3.56 -0.00 -1.59 0.45 114.93 116.36 3i44 h MET 98 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 3i44 h MET 98 Cb 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.73 3i44 h MET 98 CO 0.02 0.14 0.43 0.00 -0.00 0.00 0.00 176.91 177.50 3i44 h ALA 99 N 1.86 1.27 0.00 -3.00 0.00 -0.40 -0.72 119.26 118.27 3i44 h ALA 99 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i44 h ALA 99 Cb 0.81 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i44 h ALA 99 CO 0.02 0.59 -0.08 1.25 0.00 0.00 0.00 179.25 181.03 3i44 h LEU 100 N 1.10 0.00 -0.01 0.00 5.85 -0.76 -1.07 115.31 120.42 3i44 h LEU 100 Ca 0.28 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3i44 h LEU 100 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3i44 h LEU 100 CO -0.04 0.84 -0.05 -0.46 -0.34 0.00 0.00 178.44 178.39 3i44 n ASN 101 N -4.66 0.06 0.09 1.25 0.23 0.10 -1.84 115.26 110.50 3i44 n ASN 101 Ca -0.08 0.29 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 3i44 n ASN 101 Cb 0.31 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 3i44 n ASN 101 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i44 n ALA 102 N -1.44 3.00 -0.09 -2.53 0.00 -0.41 -4.53 120.51 114.51 3i44 n ALA 102 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 3i44 n ALA 102 Cb 0.32 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3i44 n ALA 102 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i44 h GLN 103 N 0.00 0.25 0.08 0.00 1.08 -1.26 -1.30 115.11 113.95 3i44 h GLN 103 Ca 0.00 -0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 56.99 3i44 h GLN 103 Cb 0.04 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3i44 h GLN 103 CO 0.00 0.16 -1.00 1.15 -0.95 0.00 0.00 178.83 178.19 3i44 h THR 104 N 0.25 1.25 -0.46 -0.54 2.02 -1.22 -3.37 112.91 110.85 3i44 h THR 104 Ca 0.14 -2.38 0.01 0.00 0.77 0.00 0.00 66.41 64.96 3i44 h THR 104 Cb 0.11 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 3i44 h THR 104 CO -0.14 0.62 0.30 0.00 0.37 0.00 0.00 175.52 176.67 3i44 h ALA 105 N -0.09 1.72 -0.33 6.16 0.00 -1.37 -1.82 119.26 123.52 3i44 h ALA 105 Ca -0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3i44 h ALA 105 Cb 1.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3i44 h ALA 105 CO 0.02 0.24 0.11 1.79 0.00 0.00 0.00 179.25 181.41 3i44 h THR 106 N 0.58 1.14 -0.19 0.00 1.35 -1.39 -1.10 112.91 113.29 3i44 h THR 106 Ca 0.17 -0.46 0.05 0.00 -0.55 0.00 0.00 66.41 65.62 3i44 h THR 106 Cb -0.00 0.77 -0.05 0.00 -1.73 0.00 0.00 68.15 67.14 3i44 h THR 106 CO -0.04 0.17 -0.11 1.23 -0.25 0.00 0.00 175.52 176.52 3i44 h GLY 107 N 0.65 0.04 1.03 5.82 0.00 -1.48 0.78 103.07 109.91 3i44 h GLY 107 Ca 0.12 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 3i44 h GLY 107 CO -0.01 -0.13 0.23 1.76 0.00 0.00 0.00 176.54 178.39 3i44 h SER 108 N -0.10 0.97 -0.65 0.19 0.02 -1.39 -1.26 113.55 111.33 3i44 h SER 108 Ca 0.11 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3i44 h SER 108 Cb 0.26 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3i44 h SER 108 CO -0.26 0.91 0.13 0.28 -1.14 0.00 0.00 176.83 176.76 3i44 h SER 109 N 0.98 1.03 -0.31 3.07 0.02 -0.79 -1.35 113.55 116.20 3i44 h SER 109 Ca 0.22 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3i44 h SER 109 Cb 0.28 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3i44 h SER 109 CO -0.01 1.01 0.11 0.45 -1.14 0.00 0.00 176.83 177.24 3i44 h HIS 110 N 1.02 0.50 -0.25 3.45 3.86 -0.60 -1.26 115.15 121.86 3i44 h HIS 110 Ca 0.21 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 3i44 h HIS 110 Cb 0.40 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.67 3i44 h HIS 110 CO 0.03 0.50 -0.10 0.82 0.86 0.00 0.00 177.93 180.03 3i44 h ILE 111 N 0.35 0.65 -0.77 2.45 2.04 -0.97 -0.77 117.51 120.50 3i44 h ILE 111 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3i44 h ILE 111 Cb 0.23 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3i44 h ILE 111 CO -0.00 0.00 0.45 0.03 0.00 0.00 0.00 178.15 178.62 3i44 h ARG 112 N -0.06 0.76 -0.08 2.37 3.08 -1.13 -1.48 114.38 117.83 3i44 h ARG 112 Ca 0.13 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3i44 h ARG 112 Cb 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3i44 h ARG 112 CO -0.30 0.51 -0.47 -0.91 -1.07 0.00 0.00 179.97 177.73 3i44 h ASN 113 N 0.79 0.22 -0.35 7.04 2.35 -0.55 -1.41 115.58 123.66 3i44 h ASN 113 Ca 0.36 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 3i44 h ASN 113 Cb 0.26 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3i44 h ASN 113 CO -0.21 0.66 -0.03 -0.26 -1.65 0.00 0.00 177.43 175.93 3i44 h PHE 114 N 0.17 0.71 -0.05 1.19 0.04 -0.71 -1.30 116.94 116.98 3i44 h PHE 114 Ca 0.01 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.68 3i44 h PHE 114 Cb 0.89 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.81 3i44 h PHE 114 CO 0.01 0.77 -0.22 0.82 -0.60 0.00 0.00 178.31 179.10 3i44 h ILE 115 N 0.45 0.48 -0.28 -0.55 2.04 -1.08 0.25 117.51 118.82 3i44 h ILE 115 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 3i44 h ILE 115 Cb 0.51 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3i44 h ILE 115 CO 0.02 0.00 0.01 0.50 0.00 0.00 0.00 178.15 178.68 3i44 h LYS 116 N -0.31 0.09 -0.63 2.37 3.64 -1.26 -2.25 116.57 118.23 3i44 h LYS 116 Ca 0.08 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3i44 h LYS 116 Cb 0.42 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3i44 h LYS 116 CO -0.23 0.06 0.40 0.00 -2.27 0.00 0.00 179.45 177.40 3i44 h ALA 117 N 1.23 0.81 -0.73 5.00 0.00 -0.88 -2.80 119.26 121.90 3i44 h ALA 117 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3i44 h ALA 117 Cb 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3i44 h ALA 117 CO -0.21 0.17 0.42 -0.92 0.00 0.00 0.00 179.25 178.70 3i44 h TYR 118 N 0.79 0.98 -0.22 0.00 3.20 -0.13 -0.98 116.97 120.60 3i44 h TYR 118 Ca 0.24 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3i44 h TYR 118 Cb -0.02 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 3i44 h TYR 118 CO -0.04 0.67 -0.05 0.87 -1.64 0.00 0.00 178.16 177.97 3i44 h LYS 119 N 1.01 0.34 -0.00 1.82 1.57 -1.16 -2.10 116.57 118.05 3i44 h LYS 119 Ca 0.26 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3i44 h LYS 119 Cb -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3i44 h LYS 119 CO -0.05 0.40 -0.06 0.39 -0.57 0.00 0.00 179.45 179.57 3i44 n GLU 120 N -4.31 0.22 -3.78 3.15 -0.58 -0.42 -4.91 120.64 110.01 3i44 n GLU 120 Ca 0.00 -0.03 -0.33 0.00 -0.42 0.00 0.00 57.16 56.38 3i44 n GLU 120 Cb 0.23 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 3i44 n GLU 120 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3i44 s PHE 121 N -2.80 3.55 0.00 -0.32 5.36 -0.79 -5.10 117.98 117.88 3i44 s PHE 121 Ca 0.20 0.51 0.05 0.00 -0.96 0.00 0.00 56.93 56.73 3i44 s PHE 121 Cb 0.19 -1.95 -0.02 0.00 -0.34 0.00 0.00 43.02 40.91 3i44 s PHE 121 CO 0.52 0.58 -0.17 0.45 -1.46 0.00 0.00 175.22 175.14 3i44 s SER 122 N -1.95 1.98 0.00 6.13 0.15 -1.26 -4.97 113.70 113.78 3i44 s SER 122 Ca 0.31 -0.35 0.22 0.00 0.70 0.00 0.00 55.95 56.82 3i44 s SER 122 Cb -0.13 -0.20 0.99 0.00 -1.71 0.00 0.00 66.02 64.97 3i44 s SER 122 CO 0.19 0.17 1.71 0.49 1.20 0.00 0.00 173.24 177.01 3i44 n PHE 123 N 2.44 0.00 -4.25 3.44 3.01 -1.26 -4.64 117.46 116.21 3i44 n PHE 123 Ca -0.15 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.14 3i44 n PHE 123 Cb 0.54 -0.45 -0.14 0.00 -0.01 0.00 0.00 39.48 39.43 3i44 n PHE 123 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3i44 s GLN 124 N -2.89 0.63 0.31 -1.08 -0.21 -1.26 -0.93 119.66 114.24 3i44 s GLN 124 Ca 0.13 -0.44 -0.15 0.00 0.02 0.00 0.00 55.36 54.92 3i44 s GLN 124 Cb 0.15 -0.58 0.02 0.00 1.00 0.00 0.00 33.01 33.60 3i44 s GLN 124 CO 0.39 0.15 0.66 -1.83 -2.12 0.00 0.00 175.29 172.53 3i44 s GLU 125 N -0.60 1.89 0.52 2.91 -1.05 -0.41 -5.00 118.70 116.95 3i44 s GLU 125 Ca 0.00 -1.28 -0.23 0.00 -0.15 0.00 0.00 54.97 53.31 3i44 s GLU 125 Cb -0.05 0.56 -0.06 0.00 -0.44 0.00 0.00 34.13 34.14 3i44 s GLU 125 CO 0.00 -0.85 1.35 0.00 0.95 0.00 0.00 175.26 176.71 3i44 n ALA 126 N -0.48 1.58 0.07 -0.84 0.00 -1.26 0.16 120.51 119.73 3i44 n ALA 126 Ca -0.04 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 3i44 n ALA 126 Cb 0.60 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 3i44 n ALA 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i44 h LEU 127 N 1.63 0.56 -7.87 0.00 5.85 -1.84 -3.39 115.31 110.24 3i44 h LEU 127 Ca -0.50 -0.92 -0.50 0.00 0.84 0.00 0.00 57.88 56.80 3i44 h LEU 127 Cb 1.30 -0.18 -0.34 0.00 0.37 0.00 0.00 40.66 41.80 3i44 h LEU 127 CO 0.58 1.59 -0.81 -0.63 -0.34 0.00 0.00 178.44 178.83 3i44 s ILE 128 N -2.50 1.03 0.15 4.05 -1.09 -1.26 -4.96 121.20 116.61 3i44 s ILE 128 Ca -0.15 -0.38 -0.34 0.00 -2.23 0.00 0.00 60.65 57.56 3i44 s ILE 128 Cb 0.03 -0.98 -0.15 0.00 -1.58 0.00 0.00 42.46 39.78 3i44 s ILE 128 CO 0.84 0.34 1.39 -1.84 -1.23 0.00 0.00 174.94 174.44 3i44 n GLU 129 N 4.17 1.61 -0.90 2.79 0.28 -1.26 -1.82 120.64 125.51 3i44 n GLU 129 Ca -0.20 0.58 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 3i44 n GLU 129 Cb 0.51 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.15 3i44 n GLU 129 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i44 n GLY 130 N 2.62 0.85 3.47 -1.84 0.00 -1.26 -5.02 105.19 104.01 3i44 n GLY 130 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3i44 n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i44 s ASN 131 N -2.75 5.12 -0.05 1.61 3.84 -0.76 -4.98 114.94 116.97 3i44 s ASN 131 Ca 0.00 -0.17 0.16 0.00 0.21 0.00 0.00 52.86 53.06 3i44 s ASN 131 Cb 0.00 -1.91 0.52 0.00 -0.55 0.00 0.00 41.25 39.32 3i44 s ASN 131 CO 0.00 0.01 1.44 -0.62 -2.79 0.00 0.00 177.10 175.14 3i44 n GLU 132 N 4.60 3.06 -0.09 0.43 1.02 -1.26 -4.57 120.64 123.83 3i44 n GLU 132 Ca -0.16 -2.51 -0.11 0.00 -0.02 0.00 0.00 57.16 54.36 3i44 n GLU 132 Cb 0.52 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 3i44 n GLU 132 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3i44 n GLN 133 N 0.85 0.51 -2.68 3.49 7.27 -1.26 -4.89 117.38 120.67 3i44 n GLN 133 Ca 0.20 0.21 -0.33 0.00 0.07 0.00 0.00 57.00 57.14 3i44 n GLN 133 Cb 0.64 -1.39 -0.06 0.00 2.41 0.00 0.00 30.24 31.85 3i44 n GLN 133 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i44 s ALA 134 N -2.81 3.06 0.02 1.69 0.00 -1.25 -0.83 121.76 121.64 3i44 s ALA 134 Ca -0.29 0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3i44 s ALA 134 Cb 0.05 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3i44 s ALA 134 CO 0.41 0.01 -0.03 -1.50 0.00 0.00 0.00 175.76 174.65 3i44 s ILE 135 N -2.33 0.11 -0.20 0.00 2.07 -0.46 -3.85 121.20 116.54 3i44 s ILE 135 Ca 0.61 -0.73 -0.09 0.00 -1.41 0.00 0.00 60.65 59.03 3i44 s ILE 135 Cb -0.09 -0.23 -0.05 0.00 0.13 0.00 0.00 42.46 42.22 3i44 s ILE 135 CO 0.20 -0.38 0.12 -0.22 -1.91 0.00 0.00 174.94 172.74 3i44 s LEU 136 N -1.15 4.14 -0.01 8.50 2.96 0.12 -0.78 118.68 132.45 3i44 s LEU 136 Ca -0.12 0.21 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 3i44 s LEU 136 Cb -0.08 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3i44 s LEU 136 CO -0.01 0.18 -0.25 -2.28 -1.32 0.00 0.00 176.35 172.67 3i44 s HIS 137 N 0.34 2.35 -0.15 5.38 5.65 0.56 -1.29 115.29 128.12 3i44 s HIS 137 Ca 0.07 -0.42 -0.04 0.00 0.25 0.00 0.00 55.06 54.92 3i44 s HIS 137 Cb -0.11 -1.49 -0.03 0.00 -1.18 0.00 0.00 32.58 29.77 3i44 s HIS 137 CO -0.02 -0.01 -0.03 0.71 -0.65 0.00 0.00 174.74 174.75 3i44 s TYR 138 N -0.64 3.05 -0.01 3.88 2.02 -0.11 -0.51 117.35 125.03 3i44 s TYR 138 Ca 0.10 -0.22 0.08 0.00 -0.37 0.00 0.00 57.07 56.66 3i44 s TYR 138 Cb -0.10 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 3i44 s TYR 138 CO -0.00 0.03 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.25 3i44 s ASP 139 N 0.25 2.85 -0.14 2.29 1.01 0.33 -4.92 116.67 118.33 3i44 s ASP 139 Ca -0.02 -0.45 -0.40 0.00 0.71 0.00 0.00 52.55 52.39 3i44 s ASP 139 Cb -0.14 -0.31 -0.18 0.00 1.01 0.00 0.00 42.92 43.31 3i44 s ASP 139 CO 0.03 0.29 1.45 0.00 0.21 0.00 0.00 175.17 177.15 3i44 n ALA 140 N 2.41 -1.33 0.20 5.23 0.00 -1.25 -0.41 120.51 125.36 3i44 n ALA 140 Ca -0.16 0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.84 3i44 n ALA 140 Cb 0.52 -2.03 0.58 0.00 0.00 0.00 0.00 19.45 18.52 3i44 n ALA 140 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3i44 h ILE 141 N 4.13 1.03 0.00 0.00 2.10 -1.51 -3.43 117.51 119.83 3i44 h ILE 141 Ca -0.47 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.39 3i44 h ILE 141 Cb 1.35 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 3i44 h ILE 141 CO 0.84 0.03 0.00 0.61 -1.08 0.00 0.00 178.15 178.56 3i44 n GLY 142 N -1.50 0.45 3.72 8.18 0.00 -1.26 -4.83 105.19 109.95 3i44 n GLY 142 Ca -0.02 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 3i44 n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i44 s VAL 143 N -3.04 5.11 0.14 1.61 1.01 -1.26 -3.39 120.40 120.57 3i44 s VAL 143 Ca 0.00 1.22 0.09 0.00 0.00 0.00 0.00 61.98 63.29 3i44 s VAL 143 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3i44 s VAL 143 CO 0.00 0.28 -0.20 0.68 0.00 0.00 0.00 175.10 175.86 3i44 s VAL 144 N 0.76 1.83 -0.18 2.92 -7.23 -0.39 -0.92 120.40 117.19 3i44 s VAL 144 Ca 0.32 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.67 3i44 s VAL 144 Cb -0.16 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3i44 s VAL 144 CO 0.14 -0.17 0.06 -0.83 -0.31 0.00 0.00 175.10 173.99 3i44 s GLY 145 N -2.31 1.90 -0.11 2.32 0.00 0.01 -1.18 107.32 107.96 3i44 s GLY 145 Ca 0.12 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.12 3i44 s GLY 145 CO 0.06 0.02 -0.20 1.08 0.00 0.00 0.00 173.10 174.06 3i44 s LEU 146 N 0.29 1.95 -0.08 0.66 1.43 0.05 -0.48 118.68 122.51 3i44 s LEU 146 Ca 0.03 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3i44 s LEU 146 Cb -0.12 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3i44 s LEU 146 CO 0.00 0.08 -0.05 -0.63 0.23 0.00 0.00 176.35 175.99 3i44 s ILE 147 N 0.70 0.72 0.17 -0.59 1.01 -0.47 -0.95 121.20 121.79 3i44 s ILE 147 Ca -0.11 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.49 3i44 s ILE 147 Cb -0.16 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 3i44 s ILE 147 CO 0.02 0.30 -0.19 0.42 0.00 0.00 0.00 174.94 175.50 3i44 s THR 148 N 1.53 1.86 0.00 2.92 -4.23 -1.14 -2.09 115.64 114.48 3i44 s THR 148 Ca -0.00 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 3i44 s THR 148 Cb -0.13 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3i44 s THR 148 CO -0.04 -0.30 0.00 -0.81 -0.54 0.00 0.00 174.62 172.93 3i44 n PRO 149 N 0.30 1.90 -0.00 3.99 -0.04 -1.25 -2.04 135.00 137.86 3i44 n PRO 149 Ca -0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.41 3i44 n PRO 149 Cb 0.57 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 3i44 n PRO 149 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3i44 n TRP 150 N -0.55 0.00 0.09 0.54 4.27 -1.26 -4.39 117.44 116.15 3i44 n TRP 150 Ca 0.00 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.43 3i44 n TRP 150 Cb 0.00 -0.11 -0.14 0.00 -1.36 0.00 0.00 31.31 29.70 3i44 n TRP 150 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3i44 h ASN 151 N 0.00 0.48 -2.02 -0.67 -1.07 -1.97 -3.38 115.58 106.95 3i44 h ASN 151 Ca 0.00 -0.58 -0.52 0.00 0.07 0.00 0.00 56.30 55.27 3i44 h ASN 151 Cb 0.49 -0.16 -0.40 0.00 -2.07 0.00 0.00 38.32 36.18 3i44 h ASN 151 CO 0.00 1.47 -1.13 0.79 0.07 0.00 0.00 177.43 178.63 3i44 n TRP 152 N -3.53 0.20 -0.10 4.14 7.02 -1.26 -4.99 117.44 118.92 3i44 n TRP 152 Ca -0.14 -3.73 -0.06 0.00 -1.02 0.00 0.00 57.50 52.55 3i44 n TRP 152 Cb 1.05 -0.40 0.01 0.00 -2.42 0.00 0.00 31.31 29.55 3i44 n TRP 152 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 3i44 h PRO 153 N 3.44 0.23 0.00 -0.99 0.13 -1.78 -1.13 132.00 131.90 3i44 h PRO 153 Ca 0.09 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 3i44 h PRO 153 Cb 0.91 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 3i44 h PRO 153 CO 0.51 0.15 -0.86 0.52 -0.23 0.00 0.00 178.00 178.09 3i44 h MET 154 N 0.24 0.09 -0.10 0.86 2.86 -1.93 -0.13 114.93 116.82 3i44 h MET 154 Ca 0.16 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3i44 h MET 154 Cb 0.15 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 3i44 h MET 154 CO -0.18 0.89 -0.27 -0.97 1.06 0.00 0.00 176.91 177.44 3i44 h ASN 155 N 0.05 -0.82 0.02 1.22 -0.73 -1.62 -1.43 115.58 112.27 3i44 h ASN 155 Ca -0.03 0.12 -0.19 0.00 1.87 0.00 0.00 56.30 58.08 3i44 h ASN 155 Cb 1.50 0.35 -0.00 0.00 0.27 0.00 0.00 38.32 40.44 3i44 h ASN 155 CO 0.12 -0.32 -0.66 1.56 -0.37 0.00 0.00 177.43 177.76 3i44 h GLN 156 N -0.36 0.60 -0.17 6.67 4.20 -1.02 -2.11 115.11 122.94 3i44 h GLN 156 Ca 0.09 -0.44 -0.04 0.00 0.06 0.00 0.00 58.65 58.32 3i44 h GLN 156 Cb 0.49 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3i44 h GLN 156 CO -0.30 1.06 -0.06 0.28 -0.67 0.00 0.00 178.83 179.14 3i44 h VAL 157 N 0.44 1.30 -0.67 -0.54 2.07 -1.01 -3.10 116.25 114.73 3i44 h VAL 157 Ca -0.02 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3i44 h VAL 157 Cb 1.24 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3i44 h VAL 157 CO 0.13 0.32 0.19 0.71 0.02 0.00 0.00 177.57 178.93 3i44 h THR 158 N 0.02 1.25 -0.04 2.57 1.35 -1.23 -0.07 112.91 116.76 3i44 h THR 158 Ca 0.04 -0.89 0.01 0.00 -0.55 0.00 0.00 66.41 65.02 3i44 h THR 158 Cb 0.52 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3i44 h THR 158 CO 0.02 0.34 0.09 -0.07 -0.25 0.00 0.00 175.52 175.65 3i44 h LEU 159 N 1.00 0.00 0.00 3.87 3.38 -1.38 -2.97 115.31 119.22 3i44 h LEU 159 Ca 0.22 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.83 3i44 h LEU 159 Cb 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3i44 h LEU 159 CO -0.00 0.00 -2.25 0.29 0.09 0.00 0.00 178.44 176.57 3i44 n LYS 160 N -3.45 0.50 -0.02 1.13 5.02 -0.74 -4.54 118.16 116.06 3i44 n LYS 160 Ca -0.02 0.18 -0.17 0.00 -2.02 0.00 0.00 58.31 56.28 3i44 n LYS 160 Cb 0.17 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 3i44 n LYS 160 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i44 h VAL 161 N -0.51 1.29 0.00 -0.18 2.07 -1.07 -3.07 116.25 114.78 3i44 h VAL 161 Ca -0.54 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.03 3i44 h VAL 161 Cb 1.59 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3i44 h VAL 161 CO -0.25 0.61 -0.00 0.40 0.02 0.00 0.00 177.57 178.36 3i44 h ILE 162 N 0.48 1.13 0.00 4.57 1.08 -1.74 -1.31 117.51 121.72 3i44 h ILE 162 Ca -0.05 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 63.96 3i44 h ILE 162 Cb 1.37 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.51 3i44 h ILE 162 CO 0.15 0.10 -0.27 1.55 -0.69 0.00 0.00 178.15 179.00 3i44 h PRO 163 N -0.18 0.00 -0.30 2.37 0.13 -1.77 -1.90 132.00 130.35 3i44 h PRO 163 Ca -0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3i44 h PRO 163 Cb 0.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 3i44 h PRO 163 CO 0.00 0.27 -0.14 0.00 -0.23 0.00 0.00 178.00 177.90 3i44 h ALA 164 N 1.73 0.42 0.01 -0.56 0.00 -1.42 -0.20 119.26 119.24 3i44 h ALA 164 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3i44 h ALA 164 Cb 0.64 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3i44 h ALA 164 CO 0.04 0.30 -0.31 -0.07 0.00 0.00 0.00 179.25 179.20 3i44 h LEU 165 N 0.37 -0.93 -1.24 0.00 3.38 -1.04 -1.14 115.31 114.71 3i44 h LEU 165 Ca 0.07 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3i44 h LEU 165 Cb 0.66 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3i44 h LEU 165 CO 0.04 -0.38 0.13 -0.07 0.09 0.00 0.00 178.44 178.25 3i44 h LEU 166 N -0.47 0.60 -0.90 1.67 3.38 -1.13 -0.97 115.31 117.49 3i44 h LEU 166 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i44 h LEU 166 Cb 0.55 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3i44 h LEU 166 CO -0.25 0.59 0.00 0.00 0.09 0.00 0.00 178.44 178.86 3i44 h ALA 167 N 1.50 1.00 0.00 1.53 0.00 -0.96 -3.47 119.26 118.86 3i44 h ALA 167 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i44 h ALA 167 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i44 h ALA 167 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3i44 n GLY 168 N -0.00 0.77 3.88 0.00 0.00 -0.37 -3.77 105.19 105.71 3i44 n GLY 168 Ca 0.02 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3i44 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i44 s THR 170 N -2.74 3.01 0.02 0.00 -4.23 -1.22 -4.36 115.64 106.12 3i44 s THR 170 Ca 0.52 -1.59 -0.23 0.00 -1.18 0.00 0.00 61.69 59.21 3i44 s THR 170 Cb -0.10 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.76 3i44 s THR 170 CO 0.42 -0.14 0.52 0.00 -0.54 0.00 0.00 174.62 174.88 3i44 s MET 171 N -3.91 0.98 -0.18 3.99 0.00 -0.39 -1.26 119.30 118.53 3i44 s MET 171 Ca 0.40 -0.12 0.01 0.00 0.00 0.00 0.00 55.69 55.98 3i44 s MET 171 Cb -0.03 0.45 0.02 0.00 0.00 0.00 0.00 34.83 35.27 3i44 s MET 171 CO 0.24 -0.33 -0.20 0.08 0.00 0.00 0.00 175.02 174.81 3i44 s VAL 172 N -2.00 2.12 -0.21 5.16 1.01 -0.33 -2.09 120.40 124.06 3i44 s VAL 172 Ca -0.08 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 3i44 s VAL 172 Cb -0.01 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3i44 s VAL 172 CO 0.02 0.54 0.14 -0.22 0.00 0.00 0.00 175.10 175.57 3i44 s LEU 173 N 1.25 4.19 -0.34 3.92 2.96 0.33 -0.77 118.68 130.22 3i44 s LEU 173 Ca 0.04 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 3i44 s LEU 173 Cb -0.13 -2.09 0.07 0.00 0.50 0.00 0.00 46.19 44.53 3i44 s LEU 173 CO -0.12 0.16 0.08 -0.75 -1.32 0.00 0.00 176.35 174.40 3i44 s LYS 174 N 0.51 2.30 0.67 1.98 2.20 -0.12 -1.95 119.74 125.33 3i44 s LYS 174 Ca 0.08 -1.45 -0.10 0.00 -0.36 0.00 0.00 55.97 54.14 3i44 s LYS 174 Cb -0.12 -3.35 0.15 0.00 -1.51 0.00 0.00 37.83 33.01 3i44 s LYS 174 CO -0.01 -0.78 0.92 -0.35 -0.36 0.00 0.00 175.35 174.77 3i44 n PRO 175 N 4.63 -0.78 -2.31 4.03 -0.04 -1.26 -2.88 135.00 136.40 3i44 n PRO 175 Ca -0.09 -1.55 -0.41 0.00 -0.04 0.00 0.00 63.50 61.41 3i44 n PRO 175 Cb 0.43 -0.91 -0.03 0.00 -0.04 0.00 0.00 33.50 32.95 3i44 n PRO 175 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i44 s SER 176 N -4.40 7.00 0.41 3.54 0.15 -0.86 -4.60 113.70 114.93 3i44 s SER 176 Ca 0.53 2.29 0.28 0.00 0.70 0.00 0.00 55.95 59.75 3i44 s SER 176 Cb -0.02 -2.61 0.94 0.00 -1.71 0.00 0.00 66.02 62.62 3i44 s SER 176 CO 0.37 -0.45 1.80 1.05 1.20 0.00 0.00 173.24 177.21 3i44 h GLU 177 N 5.42 0.00 -0.00 5.44 9.09 -1.90 -1.76 114.58 130.87 3i44 h GLU 177 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3i44 h GLU 177 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 3i44 h GLU 177 CO 0.76 0.00 -0.38 0.44 0.05 0.00 0.00 179.01 179.88 3i44 n ILE 178 N -2.79 0.00 -2.96 -1.06 -5.35 -1.26 -4.46 119.36 101.48 3i44 n ILE 178 Ca 0.03 -0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 3i44 n ILE 178 Cb 0.37 0.26 0.03 0.00 -1.74 0.00 0.00 39.64 38.56 3i44 n ILE 178 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i44 n ALA 179 N -1.19 0.57 0.50 -1.28 0.00 -0.95 -4.70 120.51 113.46 3i44 n ALA 179 Ca 0.08 -2.41 0.12 0.00 0.00 0.00 0.00 53.44 51.23 3i44 n ALA 179 Cb 0.34 -1.05 0.11 0.00 0.00 0.00 0.00 19.45 18.85 3i44 n ALA 179 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i44 h PRO 180 N 3.06 0.00 -0.47 0.00 0.13 -1.55 -3.39 132.00 129.77 3i44 h PRO 180 Ca -0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.06 3i44 h PRO 180 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3i44 h PRO 180 CO 0.32 0.00 0.04 -0.07 -0.23 0.00 0.00 178.00 178.06 3i44 h LEU 181 N 0.00 0.71 -0.56 1.56 3.38 -1.94 -1.39 115.31 117.07 3i44 h LEU 181 Ca 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3i44 h LEU 181 Cb 0.78 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3i44 h LEU 181 CO 0.00 0.75 0.27 0.77 0.09 0.00 0.00 178.44 180.32 3i44 h SER 182 N 0.71 0.73 -0.77 -0.43 4.64 -1.88 -0.19 113.55 116.36 3i44 h SER 182 Ca 0.15 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3i44 h SER 182 Cb 0.38 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 3i44 h SER 182 CO 0.01 0.66 0.37 0.00 -0.87 0.00 0.00 176.83 177.00 3i44 h ALA 183 N 1.11 1.18 -0.62 5.18 0.00 -1.73 -0.56 119.26 123.82 3i44 h ALA 183 Ca 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3i44 h ALA 183 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i44 h ALA 183 CO -0.02 0.62 0.02 0.52 0.00 0.00 0.00 179.25 180.39 3i44 h MET 184 N 1.11 1.08 -0.69 0.00 2.07 -0.59 0.14 114.93 118.05 3i44 h MET 184 Ca 0.27 -0.33 -0.06 0.00 -2.07 0.00 0.00 59.70 57.50 3i44 h MET 184 Cb 0.12 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 29.72 3i44 h MET 184 CO -0.03 1.04 0.18 1.25 1.07 0.00 0.00 176.91 180.42 3i44 h LEU 185 N 0.99 1.03 -1.02 1.22 5.85 -0.73 -1.67 115.31 120.97 3i44 h LEU 185 Ca 0.18 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3i44 h LEU 185 Cb 0.54 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3i44 h LEU 185 CO 0.03 0.98 0.66 0.15 -0.34 0.00 0.00 178.44 179.91 3i44 h PHE 186 N 1.04 1.24 -0.43 1.25 3.57 -0.56 0.56 116.94 123.61 3i44 h PHE 186 Ca 0.22 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.80 3i44 h PHE 186 Cb 0.34 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 3i44 h PHE 186 CO 0.03 0.75 0.15 0.00 -2.23 0.00 0.00 178.31 177.01 3i44 h ALA 187 N 1.40 0.51 -0.69 2.41 0.00 -0.27 -1.19 119.26 121.43 3i44 h ALA 187 Ca 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 3i44 h ALA 187 Cb -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3i44 h ALA 187 CO -0.10 -0.23 0.38 0.93 0.00 0.00 0.00 179.25 180.23 3i44 h GLU 188 N 0.32 0.95 -0.46 0.00 5.08 -0.29 -1.10 114.58 119.08 3i44 h GLU 188 Ca 0.20 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3i44 h GLU 188 Cb 0.18 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3i44 h GLU 188 CO -0.20 0.70 0.21 0.82 -1.00 0.00 0.00 179.01 179.54 3i44 h ILE 189 N 0.96 0.93 -0.21 3.13 2.04 -0.11 -1.38 117.51 122.88 3i44 h ILE 189 Ca 0.25 -0.15 -0.13 0.00 1.00 0.00 0.00 64.86 65.83 3i44 h ILE 189 Cb 0.02 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3i44 h ILE 189 CO -0.04 0.08 -0.42 -0.07 0.00 0.00 0.00 178.15 177.70 3i44 h LEU 190 N 0.42 0.53 -0.35 1.44 4.07 -0.75 -0.87 115.31 119.80 3i44 h LEU 190 Ca 0.20 -0.24 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 3i44 h LEU 190 Cb 0.14 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3i44 h LEU 190 CO -0.16 0.89 -0.03 -0.78 -1.08 0.00 0.00 178.44 177.28 3i44 h ASP 191 N 0.41 0.64 0.25 -0.43 3.58 -1.09 -2.64 116.42 117.14 3i44 h ASP 191 Ca 0.03 -0.33 -0.05 0.00 0.42 0.00 0.00 57.03 57.10 3i44 h ASP 191 Cb 0.91 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 3i44 h ASP 191 CO 0.08 0.81 -0.25 -0.08 -2.88 0.00 0.00 179.24 176.92 3i44 h GLU 192 N 0.45 0.00 0.00 0.28 4.81 -0.89 -1.14 114.58 118.09 3i44 h GLU 192 Ca 0.10 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3i44 h GLU 192 Cb 0.50 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3i44 h GLU 192 CO 0.02 0.25 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 3i44 n ALA 193 N -2.49 1.97 -2.67 2.92 0.00 -0.36 -4.90 120.51 114.98 3i44 n ALA 193 Ca -0.02 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 3i44 n ALA 193 Cb 0.30 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.49 3i44 n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i44 n ALA 194 N -1.24 -0.75 -1.71 0.00 0.00 -0.43 -4.95 120.51 111.44 3i44 n ALA 194 Ca 0.09 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 3i44 n ALA 194 Cb 0.12 -2.89 -0.02 0.00 0.00 0.00 0.00 19.45 16.66 3i44 n ALA 194 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i44 n LEU 195 N -3.32 3.81 -4.66 0.00 7.94 -1.12 -4.88 117.00 114.77 3i44 n LEU 195 Ca -0.17 1.12 -0.40 0.00 -1.11 0.00 0.00 56.01 55.44 3i44 n LEU 195 Cb 0.65 -1.53 0.02 0.00 0.53 0.00 0.00 43.42 43.09 3i44 n LEU 195 CO 0.36 -0.05 0.73 -2.65 -1.11 0.00 0.00 177.39 174.67 3i44 n PRO 196 N 2.68 1.53 -1.65 1.96 -0.02 -1.26 -4.84 135.00 133.40 3i44 n PRO 196 Ca 0.12 0.55 -0.51 0.00 -2.02 0.00 0.00 63.50 61.64 3i44 n PRO 196 Cb 0.34 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 3i44 n PRO 196 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i44 n SER 197 N 0.01 2.39 0.00 2.55 7.64 -1.26 -2.10 113.62 122.85 3i44 n SER 197 Ca 0.09 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3i44 n SER 197 Cb 0.41 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 3i44 n SER 197 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i44 n GLY 198 N 3.35 1.55 0.18 0.23 0.00 -1.26 -4.66 105.19 104.58 3i44 n GLY 198 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 3i44 n GLY 198 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i44 h VAL 199 N 0.00 1.23 -3.42 1.61 2.07 -1.71 -3.28 116.25 112.75 3i44 h VAL 199 Ca 0.00 -0.81 -0.64 0.00 0.82 0.00 0.00 66.70 66.08 3i44 h VAL 199 Cb 0.00 1.11 -0.33 0.00 -1.52 0.00 0.00 31.29 30.55 3i44 h VAL 199 CO 0.00 0.27 -0.86 0.12 0.02 0.00 0.00 177.57 177.12 3i44 s PHE 200 N -5.22 2.27 -0.00 1.57 5.36 -1.26 -1.26 117.98 119.44 3i44 s PHE 200 Ca -0.13 -0.89 0.02 0.00 -0.96 0.00 0.00 56.93 54.97 3i44 s PHE 200 Cb 0.09 -1.53 -0.01 0.00 -0.34 0.00 0.00 43.02 41.23 3i44 s PHE 200 CO 0.76 -0.36 -0.07 -0.80 -1.46 0.00 0.00 175.22 173.29 3i44 s ASN 201 N 0.37 0.80 -0.12 6.13 0.01 -0.89 -4.65 114.94 116.59 3i44 s ASN 201 Ca -0.16 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 3i44 s ASN 201 Cb -0.17 -0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.43 3i44 s ASN 201 CO 0.07 0.06 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.36 3i44 s LEU 202 N -0.29 1.61 -0.03 0.60 0.20 0.60 -0.52 118.68 120.86 3i44 s LEU 202 Ca 0.02 -0.42 0.05 0.00 0.69 0.00 0.00 54.13 54.47 3i44 s LEU 202 Cb -0.03 -1.06 -0.01 0.00 -0.43 0.00 0.00 46.19 44.66 3i44 s LEU 202 CO -0.00 -0.03 -0.19 0.27 -0.29 0.00 0.00 176.35 176.11 3i44 s ILE 203 N 1.24 1.50 0.47 6.68 -4.36 -0.82 -1.10 121.20 124.81 3i44 s ILE 203 Ca -0.02 -0.79 -0.05 0.00 -0.26 0.00 0.00 60.65 59.53 3i44 s ILE 203 Cb -0.14 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 3i44 s ILE 203 CO -0.05 0.43 0.77 0.20 0.24 0.00 0.00 174.94 176.53 3i44 s ASN 204 N -0.27 6.28 0.00 4.36 0.02 -1.26 -4.08 114.94 119.99 3i44 s ASN 204 Ca 0.03 0.91 0.00 0.00 -1.02 0.00 0.00 52.86 52.79 3i44 s ASN 204 Cb -0.09 -2.24 0.00 0.00 0.02 0.00 0.00 41.25 38.94 3i44 s ASN 204 CO 0.00 -0.55 0.00 0.61 0.02 0.00 0.00 177.10 177.18 3i44 n GLY 205 N -2.17 -0.79 3.95 0.66 0.00 -1.26 -0.89 105.19 104.69 3i44 n GLY 205 Ca 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 3i44 n GLY 205 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i44 s ASP 206 N 0.00 4.94 0.04 1.61 -4.77 -1.26 -4.26 116.67 112.96 3i44 s ASP 206 Ca 0.00 -0.96 -0.20 0.00 -3.30 0.00 0.00 52.55 48.09 3i44 s ASP 206 Cb 0.00 0.13 -0.15 0.00 -1.09 0.00 0.00 42.92 41.81 3i44 s ASP 206 CO 0.00 -1.09 1.31 1.23 0.70 0.00 0.00 175.17 177.32 3i44 h GLY 207 N 0.58 0.43 1.87 2.12 0.00 -1.97 -1.31 103.07 104.79 3i44 h GLY 207 Ca -0.35 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.41 3i44 h GLY 207 CO 0.50 0.44 -0.32 0.00 0.00 0.00 0.00 176.54 177.16 3i44 h ALA 208 N 0.57 1.32 -2.13 3.60 0.00 -1.96 -0.14 119.26 120.52 3i44 h ALA 208 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i44 h ALA 208 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i44 h ALA 208 CO 0.05 0.48 0.00 -1.71 0.00 0.00 0.00 179.25 178.07 3i44 n ASN 209 N -4.12 0.00 -0.15 0.00 5.15 -1.25 -4.52 115.26 110.36 3i44 n ASN 209 Ca -0.01 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.86 3i44 n ASN 209 Cb 0.39 -0.14 -0.01 0.00 -0.53 0.00 0.00 39.78 39.50 3i44 n ASN 209 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3i44 h VAL 210 N 0.00 1.27 -0.12 3.44 2.07 -1.66 -1.29 116.25 119.96 3i44 h VAL 210 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3i44 h VAL 210 Cb 0.00 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3i44 h VAL 210 CO 0.00 0.40 0.07 1.23 0.02 0.00 0.00 177.57 179.30 3i44 h GLY 211 N 0.69 0.17 1.05 2.17 0.00 -1.12 -0.52 103.07 105.51 3i44 h GLY 211 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3i44 h GLY 211 CO 0.04 0.06 0.27 1.76 0.00 0.00 0.00 176.54 178.67 3i44 h SER 212 N 0.15 1.09 -0.47 0.19 0.02 -1.00 -2.05 113.55 111.48 3i44 h SER 212 Ca 0.04 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3i44 h SER 212 Cb -0.00 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3i44 h SER 212 CO -0.01 0.99 0.16 0.22 -1.14 0.00 0.00 176.83 177.05 3i44 h TYR 213 N 1.13 0.74 -0.42 3.45 3.20 -0.92 -2.20 116.97 121.96 3i44 h TYR 213 Ca 0.25 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3i44 h TYR 213 Cb 0.27 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3i44 h TYR 213 CO 0.02 0.65 0.20 -0.07 -1.64 0.00 0.00 178.16 177.32 3i44 h LEU 214 N 0.62 0.28 -2.14 2.82 3.38 -1.03 -1.72 115.31 117.52 3i44 h LEU 214 Ca 0.15 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3i44 h LEU 214 Cb 0.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i44 h LEU 214 CO -0.01 0.20 -0.04 0.77 0.09 0.00 0.00 178.44 179.45 3i44 h SER 215 N 0.40 0.00 -0.02 -0.43 4.64 -1.07 -2.10 113.55 114.96 3i44 h SER 215 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3i44 h SER 215 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3i44 h SER 215 CO -0.14 0.04 -0.14 0.00 -0.87 0.00 0.00 176.83 175.72 3i44 n ALA 216 N -2.16 2.79 -2.18 5.18 0.00 -0.85 -3.13 120.51 120.15 3i44 n ALA 216 Ca -0.01 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 3i44 n ALA 216 Cb 0.20 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3i44 n ALA 216 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i44 s HIS 217 N -1.90 3.45 0.02 0.00 5.04 -0.67 -4.90 115.29 116.34 3i44 s HIS 217 Ca 0.21 1.39 0.32 0.00 -1.54 0.00 0.00 55.06 55.45 3i44 s HIS 217 Cb 0.17 -3.41 1.28 0.00 0.04 0.00 0.00 32.58 30.66 3i44 s HIS 217 CO 0.34 -1.17 1.94 -1.00 -2.34 0.00 0.00 174.74 172.52 3i44 h PRO 218 N 5.81 0.00 -0.15 2.88 0.13 -1.90 -3.00 132.00 135.76 3i44 h PRO 218 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3i44 h PRO 218 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i44 h PRO 218 CO 0.77 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 3i44 n ASP 219 N -3.03 1.77 -4.75 1.44 8.00 -1.26 -4.81 116.55 113.91 3i44 n ASP 219 Ca 0.01 -1.70 -0.36 0.00 0.71 0.00 0.00 54.79 53.46 3i44 n ASP 219 Cb 0.31 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.24 3i44 n ASP 219 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i44 s LEU 220 N -1.64 3.97 0.00 0.64 1.43 -1.14 -4.59 118.68 117.35 3i44 s LEU 220 Ca 0.33 0.26 0.21 0.00 -1.03 0.00 0.00 54.13 53.90 3i44 s LEU 220 Cb 0.18 -1.96 -0.13 0.00 0.03 0.00 0.00 46.19 44.32 3i44 s LEU 220 CO 0.28 0.34 0.95 -0.62 0.23 0.00 0.00 176.35 177.53 3i44 n GLU 221 N 2.44 0.69 -3.62 1.70 -0.58 -0.10 -4.88 120.64 116.29 3i44 n GLU 221 Ca -0.19 -0.43 -0.16 0.00 -0.42 0.00 0.00 57.16 55.97 3i44 n GLU 221 Cb 0.54 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.87 3i44 n GLU 221 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3i44 s MET 222 N -2.70 0.86 -0.12 3.49 1.75 -1.25 -2.00 119.30 119.32 3i44 s MET 222 Ca 0.12 0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.93 3i44 s MET 222 Cb 0.16 0.40 0.01 0.00 2.84 0.00 0.00 34.83 38.25 3i44 s MET 222 CO 0.71 -0.22 -0.18 0.42 -0.65 0.00 0.00 175.02 175.11 3i44 s ILE 223 N -0.73 1.70 -0.29 10.11 -1.09 -0.30 -0.81 121.20 129.80 3i44 s ILE 223 Ca -0.08 -0.76 -0.09 0.00 -2.23 0.00 0.00 60.65 57.49 3i44 s ILE 223 Cb -0.02 -1.54 -0.01 0.00 -1.58 0.00 0.00 42.46 39.31 3i44 s ILE 223 CO 0.06 0.48 0.12 -0.55 -1.23 0.00 0.00 174.94 173.82 3i44 s SER 224 N 0.95 5.38 -0.06 3.58 0.15 0.37 -1.17 113.70 122.89 3i44 s SER 224 Ca -0.06 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.19 3i44 s SER 224 Cb -0.15 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 62.20 3i44 s SER 224 CO -0.02 -0.14 -0.13 0.12 1.20 0.00 0.00 173.24 174.27 3i44 s PHE 225 N 1.61 1.47 -0.12 3.44 5.36 -0.12 -1.36 117.98 128.26 3i44 s PHE 225 Ca 0.05 -0.52 0.03 0.00 -0.96 0.00 0.00 56.93 55.53 3i44 s PHE 225 Cb -0.16 -1.06 0.01 0.00 -0.34 0.00 0.00 43.02 41.46 3i44 s PHE 225 CO 0.05 -0.25 -0.22 0.99 -1.46 0.00 0.00 175.22 174.33 3i44 s THR 226 N 0.54 1.96 -3.14 0.12 2.01 -0.89 -0.64 115.64 115.60 3i44 s THR 226 Ca -0.13 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 60.94 3i44 s THR 226 Cb -0.15 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.64 3i44 s THR 226 CO 0.03 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3i44 n GLY 227 N 3.89 -0.55 3.82 4.40 0.00 -0.09 -3.77 105.19 112.89 3i44 n GLY 227 Ca -0.20 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 3i44 n GLY 227 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i44 s SER 228 N -4.00 6.13 0.26 1.61 1.04 -1.26 -3.70 113.70 113.79 3i44 s SER 228 Ca 0.00 1.74 -0.03 0.00 0.48 0.00 0.00 55.95 58.14 3i44 s SER 228 Cb 0.00 -2.53 0.38 0.00 0.10 0.00 0.00 66.02 63.98 3i44 s SER 228 CO 0.00 -0.93 1.88 0.74 0.98 0.00 0.00 173.24 175.92 3i44 h THR 229 N 0.71 1.10 -0.24 2.02 2.02 -1.92 -1.23 112.91 115.36 3i44 h THR 229 Ca -0.47 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.32 3i44 h THR 229 Cb 1.21 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3i44 h THR 229 CO 0.59 0.21 0.12 0.03 0.37 0.00 0.00 175.52 176.85 3i44 h ARG 230 N 1.17 0.25 -0.50 6.66 -0.00 -1.95 -2.13 114.38 117.90 3i44 h ARG 230 Ca 0.42 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 59.82 3i44 h ARG 230 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.03 3i44 h ARG 230 CO -0.16 0.17 0.05 0.00 0.00 0.00 0.00 179.97 180.03 3i44 h ALA 231 N 1.12 1.16 -0.80 0.04 0.00 -1.84 -2.98 119.26 115.96 3i44 h ALA 231 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3i44 h ALA 231 Cb 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3i44 h ALA 231 CO -0.06 0.55 0.40 0.78 0.00 0.00 0.00 179.25 180.93 3i44 h GLY 232 N 0.96 1.21 1.03 0.00 0.00 -0.70 0.34 103.07 105.91 3i44 h GLY 232 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3i44 h GLY 232 CO 0.01 0.55 0.42 0.50 0.00 0.00 0.00 176.54 178.02 3i44 h LYS 233 N 1.13 1.16 -0.39 4.80 1.57 -1.25 -0.62 116.57 122.97 3i44 h LYS 233 Ca 0.28 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3i44 h LYS 233 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3i44 h LYS 233 CO -0.04 0.88 -0.36 0.22 -0.57 0.00 0.00 179.45 179.58 3i44 h ASP 234 N 1.15 0.96 -0.29 0.86 3.58 -1.28 -1.08 116.42 120.33 3i44 h ASP 234 Ca 0.29 -0.42 0.02 0.00 0.42 0.00 0.00 57.03 57.33 3i44 h ASP 234 Cb 0.08 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3i44 h ASP 234 CO -0.04 1.21 0.15 0.40 -2.88 0.00 0.00 179.24 178.08 3i44 h ILE 235 N 0.75 1.01 -0.72 2.25 1.08 -0.72 -0.79 117.51 120.37 3i44 h ILE 235 Ca 0.07 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3i44 h ILE 235 Cb 0.94 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3i44 h ILE 235 CO 0.09 0.06 0.40 0.28 -0.69 0.00 0.00 178.15 178.28 3i44 h SER 236 N 0.32 0.89 -0.36 1.72 0.02 -0.95 -1.23 113.55 113.96 3i44 h SER 236 Ca 0.12 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3i44 h SER 236 Cb 0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3i44 h SER 236 CO -0.07 0.73 0.17 0.11 -1.14 0.00 0.00 176.83 176.62 3i44 h LYS 237 N 0.99 0.52 -0.17 3.45 6.56 -0.94 -2.70 116.57 124.28 3i44 h LYS 237 Ca 0.25 -0.08 -0.09 0.00 -1.06 0.00 0.00 60.65 59.67 3i44 h LYS 237 Cb 0.03 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 3i44 h LYS 237 CO -0.04 0.47 -0.30 -0.91 -2.06 0.00 0.00 179.45 176.62 3i44 h ASN 238 N 0.44 0.34 1.56 0.86 2.35 -0.90 -2.96 115.58 117.27 3i44 h ASN 238 Ca 0.12 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3i44 h ASN 238 Cb 0.13 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3i44 h ASN 238 CO -0.01 0.63 -0.14 0.00 -1.65 0.00 0.00 177.43 176.25 3i44 h ALA 239 N 1.40 0.93 -0.18 -0.83 0.00 -1.09 -3.35 119.26 116.16 3i44 h ALA 239 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3i44 h ALA 239 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i44 h ALA 239 CO 0.05 0.17 -0.18 0.66 0.00 0.00 0.00 179.25 179.95 3i44 h SER 240 N 0.00 0.29 0.63 0.00 4.64 -1.30 -2.35 113.55 115.46 3i44 h SER 240 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3i44 h SER 240 Cb 0.96 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3i44 h SER 240 CO 0.02 0.49 0.00 -1.13 -0.87 0.00 0.00 176.83 175.33 3i44 h ASN 241 N 0.27 0.00 -0.31 4.97 -0.73 -1.75 -2.23 115.58 115.81 3i44 h ASN 241 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 3i44 h ASN 241 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.07 3i44 h ASN 241 CO 0.03 0.00 0.00 0.35 -0.37 0.00 0.00 177.43 177.44 3i44 n THR 242 N -2.94 1.02 -4.03 -3.57 -2.24 -0.92 -5.00 114.28 96.60 3i44 n THR 242 Ca -0.00 -1.01 -0.31 0.00 -2.27 0.00 0.00 64.05 60.45 3i44 n THR 242 Cb 0.21 0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3i44 n THR 242 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i44 n LEU 243 N 0.39 -2.22 -4.76 3.22 4.77 -0.84 -4.94 117.00 112.62 3i44 n LEU 243 Ca 0.10 -0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 54.83 3i44 n LEU 243 Cb 0.41 -2.33 0.03 0.00 -2.33 0.00 0.00 43.42 39.20 3i44 n LEU 243 CO 0.07 0.39 0.81 -0.54 -1.33 0.00 0.00 177.39 176.79 3i44 s LYS 244 N -6.69 2.97 0.16 3.23 1.02 -1.18 -5.00 119.74 114.25 3i44 s LYS 244 Ca 0.55 1.70 -0.31 0.00 0.02 0.00 0.00 55.97 57.94 3i44 s LYS 244 Cb -0.29 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3i44 s LYS 244 CO 0.88 -1.18 1.41 0.50 -0.92 0.00 0.00 175.35 176.04 3i44 s ARG 245 N -3.48 4.31 -0.19 1.68 3.52 -0.85 -4.93 118.95 119.01 3i44 s ARG 245 Ca 0.74 2.16 0.01 0.00 -0.13 0.00 0.00 55.73 58.51 3i44 s ARG 245 Cb -0.27 -3.20 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3i44 s ARG 245 CO 0.34 -0.43 -0.16 0.08 -0.81 0.00 0.00 175.30 174.32 3i44 s VAL 246 N 0.75 1.92 -0.24 7.11 1.01 -1.26 -1.15 120.40 128.54 3i44 s VAL 246 Ca 0.63 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3i44 s VAL 246 Cb -0.39 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3i44 s VAL 246 CO 0.34 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 175.77 3i44 s LEU 248 N 1.45 2.49 -0.33 0.00 1.43 -1.26 -0.94 118.68 121.53 3i44 s LEU 248 Ca 0.04 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3i44 s LEU 248 Cb -0.15 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.60 3i44 s LEU 248 CO -0.02 0.16 0.04 -1.61 0.23 0.00 0.00 176.35 175.15 3i44 s GLU 249 N 0.35 2.13 0.00 1.70 0.41 0.18 -2.05 118.70 121.42 3i44 s GLU 249 Ca -0.14 -1.52 0.00 0.00 -0.41 0.00 0.00 54.97 52.90 3i44 s GLU 249 Cb -0.17 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 3i44 s GLU 249 CO 0.07 -0.77 0.00 1.28 -0.49 0.00 0.00 175.26 175.35 3i44 n LEU 250 N 4.52 0.00 0.00 1.80 4.77 -0.06 -0.91 117.00 127.12 3i44 n LEU 250 Ca -0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 3i44 n LEU 250 Cb 0.42 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.67 3i44 n LEU 250 CO 0.26 0.00 0.68 0.61 -1.33 0.00 0.00 177.39 177.61 3i44 n GLY 251 N 5.00 -1.01 3.46 -0.72 0.00 -1.24 -4.86 105.19 105.81 3i44 n GLY 251 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 3i44 n GLY 251 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i44 s GLY 252 N -5.26 0.19 -0.39 -0.02 0.00 -1.04 -4.11 107.32 96.70 3i44 s GLY 252 Ca 0.61 -0.55 0.10 0.00 0.00 0.00 0.00 44.72 44.88 3i44 s GLY 252 CO 0.42 -0.53 0.69 1.17 0.00 0.00 0.00 173.10 174.86 3i44 n LYS 253 N -0.29 0.88 -1.66 2.90 3.00 -1.26 -4.65 118.16 117.08 3i44 n LYS 253 Ca -0.08 -3.17 -0.46 0.00 -0.00 0.00 0.00 58.31 54.60 3i44 n LYS 253 Cb 0.63 -1.49 -0.04 0.00 0.00 0.00 0.00 35.03 34.13 3i44 n LYS 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i44 n GLY 254 N 0.71 0.96 3.82 3.14 0.00 -1.23 -4.72 105.19 107.87 3i44 n GLY 254 Ca 0.22 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.46 3i44 n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i44 s ALA 255 N 0.54 3.63 -0.33 4.61 0.00 -1.26 -1.33 121.76 127.62 3i44 s ALA 255 Ca 0.75 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.70 3i44 s ALA 255 Cb -0.69 -2.55 0.09 0.00 0.00 0.00 0.00 23.12 19.98 3i44 s ALA 255 CO 0.43 0.43 0.03 1.21 0.00 0.00 0.00 175.76 177.85 3i44 s ASN 256 N -1.12 4.73 -0.41 0.00 3.84 0.72 -0.25 114.94 122.45 3i44 s ASN 256 Ca 0.27 -2.04 -0.22 0.00 0.21 0.00 0.00 52.86 51.08 3i44 s ASN 256 Cb -0.18 -1.62 0.02 0.00 -0.55 0.00 0.00 41.25 38.91 3i44 s ASN 256 CO 0.17 -0.35 0.75 -0.63 -2.79 0.00 0.00 177.10 174.25 3i44 s ILE 257 N 0.94 4.73 -0.28 -5.21 1.01 0.65 -0.78 121.20 122.25 3i44 s ILE 257 Ca 0.08 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 3i44 s ILE 257 Cb -0.19 -4.24 0.04 0.00 0.01 0.00 0.00 42.46 38.08 3i44 s ILE 257 CO -0.07 -0.56 -0.03 -0.63 0.00 0.00 0.00 174.94 173.65 3i44 s ILE 258 N 3.10 2.89 0.51 2.92 1.01 -0.05 0.48 121.20 132.04 3i44 s ILE 258 Ca 0.29 -1.28 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 3i44 s ILE 258 Cb -0.13 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3i44 s ILE 258 CO 0.19 0.00 0.86 -0.36 0.00 0.00 0.00 174.94 175.64 3i44 s PHE 259 N 1.27 3.56 0.57 3.97 0.08 -0.43 -1.65 117.98 125.35 3i44 s PHE 259 Ca -0.04 1.02 0.27 0.00 0.12 0.00 0.00 56.93 58.30 3i44 s PHE 259 Cb -0.19 -2.47 1.56 0.00 -0.57 0.00 0.00 43.02 41.35 3i44 s PHE 259 CO -0.02 -0.36 2.06 0.00 -0.10 0.00 0.00 175.22 176.79 3i44 h ALA 260 N 0.31 2.00 -0.49 5.36 0.00 -1.88 -1.70 119.26 122.86 3i44 h ALA 260 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i44 h ALA 260 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i44 h ALA 260 CO 0.62 -0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 3i44 n ASP 261 N -3.96 4.43 -4.74 0.00 5.68 -1.26 -4.95 116.55 111.74 3i44 n ASP 261 Ca 0.04 -2.57 -0.33 0.00 -0.50 0.00 0.00 54.79 51.42 3i44 n ASP 261 Cb 0.40 -0.59 0.07 0.00 -1.14 0.00 0.00 41.12 39.87 3i44 n ASP 261 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i44 s ALA 262 N -2.13 2.26 0.90 2.12 0.00 -0.64 -1.98 121.76 122.28 3i44 s ALA 262 Ca 0.43 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.96 3i44 s ALA 262 Cb 0.30 -3.39 0.14 0.00 0.00 0.00 0.00 23.12 20.18 3i44 s ALA 262 CO 0.16 -1.63 1.15 0.16 0.00 0.00 0.00 175.76 175.61 3i44 s ASP 263 N -2.38 2.99 0.25 0.00 -4.77 -1.26 -4.83 116.67 106.67 3i44 s ASP 263 Ca 0.70 2.21 -0.04 0.00 -3.30 0.00 0.00 52.55 52.13 3i44 s ASP 263 Cb -0.24 -2.57 0.52 0.00 -1.09 0.00 0.00 42.92 39.53 3i44 s ASP 263 CO 0.44 -3.06 1.67 0.40 0.70 0.00 0.00 175.17 175.33 3i44 h ILE 264 N -1.76 0.46 -0.32 2.11 2.04 -1.99 -1.74 117.51 116.31 3i44 h ILE 264 Ca -0.43 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3i44 h ILE 264 Cb 1.27 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3i44 h ILE 264 CO 0.42 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 177.95 3i44 n ASP 265 N -5.18 1.90 -0.03 1.72 2.03 -1.26 -4.44 116.55 111.29 3i44 n ASP 265 Ca 0.16 -1.93 -0.11 0.00 0.52 0.00 0.00 54.79 53.44 3i44 n ASP 265 Cb 0.51 -0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 40.65 3i44 n ASP 265 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i44 h ALA 266 N 3.77 0.21 0.05 -1.67 0.00 -1.65 -0.52 119.26 119.45 3i44 h ALA 266 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i44 h ALA 266 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i44 h ALA 266 CO 0.00 -0.27 -0.03 -0.07 0.00 0.00 0.00 179.25 178.88 3i44 h LEU 267 N 0.18 -0.06 -0.40 0.00 3.38 -1.81 -1.35 115.31 115.25 3i44 h LEU 267 Ca 0.06 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3i44 h LEU 267 Cb 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3i44 h LEU 267 CO -0.01 0.01 0.24 1.56 0.09 0.00 0.00 178.44 180.33 3i44 h GLN 268 N -0.13 0.48 -0.57 1.13 4.20 -1.82 -1.89 115.11 116.51 3i44 h GLN 268 Ca -0.01 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.74 3i44 h GLN 268 Cb 0.11 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 3i44 h GLN 268 CO 0.01 0.32 0.27 -0.09 -0.67 0.00 0.00 178.83 178.67 3i44 h ARG 269 N 0.50 0.48 -0.49 1.46 2.43 -0.96 -0.53 114.38 117.27 3i44 h ARG 269 Ca 0.15 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3i44 h ARG 269 Cb -0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3i44 h ARG 269 CO -0.06 0.32 0.28 0.78 -1.51 0.00 0.00 179.97 179.78 3i44 h GLY 270 N 0.50 0.73 0.62 2.80 0.00 -0.86 -0.22 103.07 106.63 3i44 h GLY 270 Ca 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3i44 h GLY 270 CO -0.21 0.30 -0.08 -2.08 0.00 0.00 0.00 176.54 174.47 3i44 h VAL 271 N 0.66 1.38 -0.96 4.60 2.07 -1.06 -2.26 116.25 120.66 3i44 h VAL 271 Ca 0.18 -1.26 0.12 0.00 0.82 0.00 0.00 66.70 66.55 3i44 h VAL 271 Cb 0.02 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 3i44 h VAL 271 CO -0.03 0.35 0.59 0.03 0.02 0.00 0.00 177.57 178.53 3i44 h ARG 272 N -0.26 0.91 -0.63 1.57 3.08 -1.06 -1.61 114.38 116.39 3i44 h ARG 272 Ca 0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3i44 h ARG 272 Cb 0.60 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3i44 h ARG 272 CO 0.02 0.60 0.07 1.25 -1.07 0.00 0.00 179.97 180.84 3i44 h HIS 273 N 0.94 1.14 -0.99 3.04 2.76 -0.88 -2.15 115.15 119.01 3i44 h HIS 273 Ca 0.48 -0.17 0.08 0.00 -2.20 0.00 0.00 60.37 58.55 3i44 h HIS 273 Cb 0.48 -0.31 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 3i44 h HIS 273 CO -0.02 0.98 0.64 0.00 -1.30 0.00 0.00 177.93 178.23 3i44 n PHE 275 N -4.52 0.38 -1.73 0.00 3.72 -1.04 -3.50 117.46 110.77 3i44 n PHE 275 Ca 0.16 0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 57.26 3i44 n PHE 275 Cb 0.22 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 3i44 n PHE 275 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3i44 n TYR 276 N -1.92 2.48 -2.56 1.38 9.36 -0.83 -0.30 117.16 124.77 3i44 n TYR 276 Ca 0.04 0.49 -0.15 0.00 3.32 0.00 0.00 57.90 61.60 3i44 n TYR 276 Cb 0.41 -2.44 -0.00 0.00 -0.63 0.00 0.00 39.34 36.67 3i44 n TYR 276 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3i44 n ASN 277 N 0.37 -4.34 -2.84 2.98 5.15 -1.26 -1.25 115.26 114.08 3i44 n ASN 277 Ca 0.04 0.08 -0.19 0.00 -0.60 0.00 0.00 54.58 53.91 3i44 n ASN 277 Cb 0.39 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 35.99 3i44 n ASN 277 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3i44 n SER 278 N -1.93 -4.60 0.00 1.20 7.64 0.59 -1.37 113.62 115.16 3i44 n SER 278 Ca -0.15 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.62 3i44 n SER 278 Cb 0.62 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.00 3i44 n SER 278 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i44 n GLY 279 N -1.10 0.58 2.60 0.23 0.00 -0.38 -2.09 105.19 105.03 3i44 n GLY 279 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3i44 n GLY 279 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i44 n GLN 280 N -2.84 4.67 -4.02 1.61 6.02 -0.47 -3.92 117.38 118.42 3i44 n GLN 280 Ca 0.00 -3.96 -0.21 0.00 -0.01 0.00 0.00 57.00 52.82 3i44 n GLN 280 Cb 0.00 -2.48 -0.17 0.00 1.02 0.00 0.00 30.24 28.61 3i44 n GLN 280 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3i44 s SER 281 N -0.58 1.26 0.43 1.08 0.01 -1.26 -4.76 113.70 109.88 3i44 s SER 281 Ca 0.47 -0.13 0.13 0.00 1.31 0.00 0.00 55.95 57.73 3i44 s SER 281 Cb 0.23 -0.48 1.00 0.00 0.21 0.00 0.00 66.02 66.97 3i44 s SER 281 CO -0.15 -0.10 1.99 0.00 0.41 0.00 0.00 173.24 175.39 3i44 n ASN 283 N -4.47 3.59 -4.74 0.00 6.94 -1.26 -2.49 115.26 112.83 3i44 n ASN 283 Ca 0.09 -2.04 -0.39 0.00 -0.02 0.00 0.00 54.58 52.22 3i44 n ASN 283 Cb 0.32 -0.45 0.03 0.00 -2.36 0.00 0.00 39.78 37.32 3i44 n ASN 283 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i44 n ALA 284 N 1.39 1.74 -2.66 -2.53 0.00 -0.79 -4.68 120.51 112.98 3i44 n ALA 284 Ca 0.22 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 3i44 n ALA 284 Cb 0.58 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 3i44 n ALA 284 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i44 s PRO 285 N -2.62 3.72 0.02 0.00 0.04 -1.26 -3.54 135.00 131.36 3i44 s PRO 285 Ca 0.66 -1.54 0.22 0.00 0.04 0.00 0.00 61.00 60.38 3i44 s PRO 285 Cb -0.44 -5.30 -0.04 0.00 0.04 0.00 0.00 34.50 28.76 3i44 s PRO 285 CO 0.54 -2.11 0.96 0.25 0.04 0.00 0.00 177.00 176.68 3i44 n THR 286 N 6.36 0.07 -3.93 1.26 -2.24 -0.89 -4.53 114.28 110.38 3i44 n THR 286 Ca 0.35 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.62 3i44 n THR 286 Cb 0.49 0.45 -0.14 0.00 -2.10 0.00 0.00 70.33 69.03 3i44 n THR 286 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i44 s ARG 287 N -3.15 2.16 -0.36 -0.78 0.52 -0.44 -1.97 118.95 114.93 3i44 s ARG 287 Ca 0.04 -1.48 -0.17 0.00 -0.52 0.00 0.00 55.73 53.61 3i44 s ARG 287 Cb 0.15 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.42 3i44 s ARG 287 CO 0.83 -0.74 0.43 1.41 0.02 0.00 0.00 175.30 177.24 3i44 s MET 288 N 1.15 3.50 -0.34 3.54 1.75 0.37 -0.20 119.30 129.07 3i44 s MET 288 Ca -0.01 -0.39 -0.10 0.00 -1.25 0.00 0.00 55.69 53.94 3i44 s MET 288 Cb -0.20 -3.84 0.01 0.00 2.84 0.00 0.00 34.83 33.64 3i44 s MET 288 CO -0.03 -0.63 0.16 -0.51 -0.65 0.00 0.00 175.02 173.36 3i44 s LEU 289 N 2.17 4.34 -0.11 4.11 1.43 0.04 -2.04 118.68 128.61 3i44 s LEU 289 Ca 0.14 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3i44 s LEU 289 Cb -0.16 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3i44 s LEU 289 CO 0.13 -0.28 -0.14 -0.69 0.23 0.00 0.00 176.35 175.59 3i44 s VAL 290 N 1.56 2.97 0.31 -1.59 1.01 -0.45 -0.87 120.40 123.34 3i44 s VAL 290 Ca 0.03 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3i44 s VAL 290 Cb -0.18 -2.22 -0.13 0.00 0.00 0.00 0.00 36.38 33.85 3i44 s VAL 290 CO 0.06 0.54 1.33 1.21 0.00 0.00 0.00 175.10 178.24 3i44 n GLU 291 N 3.31 2.13 -0.20 2.72 2.13 -0.66 -0.83 120.64 129.25 3i44 n GLU 291 Ca -0.18 0.75 -0.00 0.00 0.66 0.00 0.00 57.16 58.39 3i44 n GLU 291 Cb 0.53 -2.36 0.08 0.00 0.27 0.00 0.00 31.44 29.95 3i44 n GLU 291 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3i44 h GLN 292 N 3.08 0.06 -1.18 5.31 5.75 -1.34 -1.17 115.11 125.62 3i44 h GLN 292 Ca -0.46 -0.00 0.33 0.00 -0.15 0.00 0.00 58.65 58.37 3i44 h GLN 292 Cb 1.28 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.75 3i44 h GLN 292 CO 0.67 0.04 0.82 0.00 -2.65 0.00 0.00 178.83 177.70 3i44 h ALA 293 N 1.57 2.85 -0.12 3.38 0.00 -1.89 -1.55 119.26 123.50 3i44 h ALA 293 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i44 h ALA 293 Cb 0.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i44 h ALA 293 CO -0.57 -1.24 0.00 0.44 0.00 0.00 0.00 179.25 177.89 3i44 n ILE 294 N -4.35 1.62 -0.04 0.00 -5.35 -0.47 -4.75 119.36 106.04 3i44 n ILE 294 Ca 0.27 -1.66 -0.10 0.00 -0.27 0.00 0.00 62.75 60.99 3i44 n ILE 294 Cb 1.17 0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 39.09 3i44 n ILE 294 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3i44 h TYR 295 N 0.76 0.24 -0.61 4.28 3.20 -1.01 0.18 116.97 124.02 3i44 h TYR 295 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3i44 h TYR 295 Cb 0.94 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 3i44 h TYR 295 CO 0.16 0.21 0.37 -0.44 -1.64 0.00 0.00 178.16 176.82 3i44 h ASP 296 N 0.19 0.73 -0.86 -2.11 3.32 -1.85 -1.11 116.42 114.73 3i44 h ASP 296 Ca 0.06 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3i44 h ASP 296 Cb 0.05 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 3i44 h ASP 296 CO -0.01 0.57 0.55 0.50 -1.72 0.00 0.00 179.24 179.13 3i44 h LYS 297 N 0.82 1.02 -0.31 3.56 3.64 -1.82 -1.46 116.57 122.02 3i44 h LYS 297 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3i44 h LYS 297 Cb -0.03 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 3i44 h LYS 297 CO -0.04 0.67 0.20 0.00 -2.27 0.00 0.00 179.45 178.02 3i44 h ALA 298 N 1.37 0.40 -0.42 5.00 0.00 0.00 0.11 119.26 125.73 3i44 h ALA 298 Ca 0.35 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3i44 h ALA 298 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3i44 h ALA 298 CO -0.13 -0.13 0.25 0.82 0.00 0.00 0.00 179.25 180.06 3i44 h ILE 299 N 0.42 1.04 -0.63 0.00 2.04 -0.94 0.95 117.51 120.40 3i44 h ILE 299 Ca 0.11 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3i44 h ILE 299 Cb -0.03 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3i44 h ILE 299 CO -0.02 0.09 0.02 0.11 0.00 0.00 0.00 178.15 178.35 3i44 h LYS 300 N 0.50 1.09 -0.17 2.37 1.57 -0.97 -1.19 116.57 119.77 3i44 h LYS 300 Ca 0.17 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3i44 h LYS 300 Cb 0.01 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3i44 h LYS 300 CO -0.08 1.05 -0.08 1.15 -0.57 0.00 0.00 179.45 180.92 3i44 h THR 301 N 1.00 1.31 -0.63 -0.16 2.02 -0.35 -1.90 112.91 114.20 3i44 h THR 301 Ca 0.18 -1.13 0.09 0.00 0.77 0.00 0.00 66.41 66.32 3i44 h THR 301 Cb 0.54 1.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.58 3i44 h THR 301 CO 0.03 0.33 0.27 0.00 0.37 0.00 0.00 175.52 176.53 3i44 h ALA 302 N 0.68 0.83 0.09 6.16 0.00 -0.75 -1.10 119.26 125.17 3i44 h ALA 302 Ca 0.04 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3i44 h ALA 302 Cb 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3i44 h ALA 302 CO 0.02 -0.13 -0.19 -0.22 0.00 0.00 0.00 179.25 178.73 3i44 h LYS 303 N 0.48 -0.35 -0.18 0.00 3.64 -1.08 0.26 116.57 119.35 3i44 h LYS 303 Ca 0.31 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.75 3i44 h LYS 303 Cb 0.35 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3i44 h LYS 303 CO -0.28 -0.23 -0.05 0.22 -2.27 0.00 0.00 179.45 176.84 3i44 h ASP 304 N -0.36 -0.19 -0.28 4.20 3.58 -1.06 -0.62 116.42 121.69 3i44 h ASP 304 Ca 0.03 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3i44 h ASP 304 Cb 0.39 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 3i44 h ASP 304 CO -0.12 -0.07 0.10 0.40 -2.88 0.00 0.00 179.24 176.67 3i44 h ILE 305 N -0.01 1.19 -0.28 2.25 1.08 -1.09 -0.96 117.51 119.68 3i44 h ILE 305 Ca 0.09 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 3i44 h ILE 305 Cb 0.15 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 3i44 h ILE 305 CO -0.19 0.20 -0.11 0.00 -0.69 0.00 0.00 178.15 177.36 3i44 h ALA 306 N 0.94 0.14 -0.02 1.87 0.00 -0.77 -0.27 119.26 121.14 3i44 h ALA 306 Ca 0.09 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3i44 h ALA 306 Cb 0.21 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i44 h ALA 306 CO -0.01 -0.50 -0.16 0.93 0.00 0.00 0.00 179.25 179.51 3i44 h GLU 307 N -0.05 0.04 -0.01 0.00 5.08 -0.88 -0.91 114.58 117.85 3i44 h GLU 307 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i44 h GLU 307 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3i44 h GLU 307 CO -0.32 0.20 -0.09 1.63 -1.00 0.00 0.00 179.01 179.44 3i44 n LYS 308 N -4.33 1.03 -2.89 2.33 5.02 -0.39 -4.79 118.16 114.14 3i44 n LYS 308 Ca -0.02 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.41 3i44 n LYS 308 Cb 0.24 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 3i44 n LYS 308 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3i44 s THR 309 N -2.28 4.64 0.49 -0.18 2.01 -0.18 -5.03 115.64 115.11 3i44 s THR 309 Ca 0.34 0.91 -0.17 0.00 0.31 0.00 0.00 61.69 63.08 3i44 s THR 309 Cb 0.20 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 3i44 s THR 309 CO 0.43 -0.55 0.96 -1.10 -0.69 0.00 0.00 174.62 173.66 3i44 s GLN 310 N 3.33 3.99 -0.04 4.92 -1.52 -1.26 -4.87 119.66 124.21 3i44 s GLN 310 Ca 0.34 0.95 0.06 0.00 -1.95 0.00 0.00 55.36 54.76 3i44 s GLN 310 Cb -0.12 -2.16 -0.02 0.00 -0.22 0.00 0.00 33.01 30.48 3i44 s GLN 310 CO 0.19 -0.21 -0.22 0.08 -0.25 0.00 0.00 175.29 174.88 3i44 s VAL 311 N -2.52 2.37 0.17 1.09 1.01 -1.26 -1.07 120.40 120.18 3i44 s VAL 311 Ca 0.59 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 3i44 s VAL 311 Cb -0.10 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.48 3i44 s VAL 311 CO 0.28 0.58 0.96 -0.83 0.00 0.00 0.00 175.10 176.09 3i44 s GLY 312 N -0.57 -0.16 0.71 4.51 0.00 -0.05 -4.92 107.32 106.84 3i44 s GLY 312 Ca 0.08 0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.68 3i44 s GLY 312 CO 0.00 0.30 1.13 2.56 0.00 0.00 0.00 173.10 177.08 3i44 s PRO 313 N -3.13 2.46 0.37 2.90 0.04 -1.26 -4.00 135.00 132.39 3i44 s PRO 313 Ca 0.14 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.66 3i44 s PRO 313 Cb -0.02 -1.90 0.76 0.00 0.04 0.00 0.00 34.50 33.38 3i44 s PRO 313 CO 0.03 -1.52 1.98 0.78 0.04 0.00 0.00 177.00 178.31 3i44 h GLY 314 N -0.37 0.87 2.00 0.56 0.00 -1.83 -2.75 103.07 101.55 3i44 h GLY 314 Ca -0.46 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3i44 h GLY 314 CO 0.52 0.23 0.00 1.12 0.00 0.00 0.00 176.54 178.41 3i44 h HIS 315 N 0.72 0.00 -3.66 5.60 2.07 -1.89 0.51 115.15 118.51 3i44 h HIS 315 Ca 0.27 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.29 3i44 h HIS 315 Cb 0.17 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 3i44 h HIS 315 CO -0.00 0.00 0.32 -0.65 -3.07 0.00 0.00 177.93 174.53 3i44 s GLN 316 N -3.42 4.77 0.90 5.12 -0.21 -1.04 -4.79 119.66 120.98 3i44 s GLN 316 Ca 0.04 1.42 -0.12 0.00 0.02 0.00 0.00 55.36 56.73 3i44 s GLN 316 Cb 0.08 -3.31 0.13 0.00 1.00 0.00 0.00 33.01 30.91 3i44 s GLN 316 CO 0.58 0.43 1.09 0.95 -2.12 0.00 0.00 175.29 176.22 3i44 s THR 317 N -0.80 2.62 0.00 -0.19 -4.23 -1.26 -3.99 115.64 107.79 3i44 s THR 317 Ca 0.42 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 3i44 s THR 317 Cb -0.25 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3i44 s THR 317 CO 0.30 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 3i44 n GLY 318 N -1.22 1.00 1.44 3.99 0.00 -1.26 -4.85 105.19 104.28 3i44 n GLY 318 Ca 0.07 -2.19 -0.05 0.00 0.00 0.00 0.00 46.02 43.85 3i44 n GLY 318 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i44 n ASN 319 N 0.00 3.42 -4.66 1.61 6.94 -1.26 -4.63 115.26 116.68 3i44 n ASN 319 Ca 0.00 -3.49 -0.30 0.00 -0.02 0.00 0.00 54.58 50.77 3i44 n ASN 319 Cb 0.00 -0.67 0.16 0.00 -2.36 0.00 0.00 39.78 36.91 3i44 n ASN 319 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 3i44 s HIS 320 N -3.12 1.96 0.37 -2.53 -3.43 -1.26 -4.80 115.29 102.47 3i44 s HIS 320 Ca 0.48 1.42 -0.09 0.00 -0.80 0.00 0.00 55.06 56.07 3i44 s HIS 320 Cb 0.41 -3.18 -0.06 0.00 -1.43 0.00 0.00 32.58 28.32 3i44 s HIS 320 CO 0.06 -2.75 0.71 0.96 -2.00 0.00 0.00 174.74 171.73 3i44 s ILE 321 N -2.76 4.85 0.13 -5.38 -4.36 -0.23 -4.81 121.20 108.64 3i44 s ILE 321 Ca 0.65 0.47 0.00 0.00 -0.26 0.00 0.00 60.65 61.51 3i44 s ILE 321 Cb -0.21 -3.73 0.03 0.00 1.25 0.00 0.00 42.46 39.80 3i44 s ILE 321 CO 0.59 -0.46 0.19 0.61 0.24 0.00 0.00 174.94 176.10 3i44 n GLY 322 N -1.20 0.78 3.73 6.27 0.00 -1.26 -0.87 105.19 112.65 3i44 n GLY 322 Ca 0.01 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 3i44 n GLY 322 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i44 s PRO 323 N -2.88 1.33 0.83 1.61 0.04 -1.26 -4.77 135.00 129.91 3i44 s PRO 323 Ca 0.12 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 3i44 s PRO 323 Cb -0.01 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.80 3i44 s PRO 323 CO 0.08 -2.18 1.11 0.14 0.04 0.00 0.00 177.00 176.20 3i44 s VAL 324 N -2.97 2.70 0.22 -0.36 -7.23 -0.15 -4.79 120.40 107.82 3i44 s VAL 324 Ca 0.63 0.23 0.07 0.00 -1.81 0.00 0.00 61.98 61.10 3i44 s VAL 324 Cb -0.17 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.69 3i44 s VAL 324 CO 0.56 -0.30 1.50 1.62 -0.31 0.00 0.00 175.10 178.18 3i44 h VAL 325 N -1.20 1.49 -3.82 1.32 3.04 -1.87 -3.42 116.25 111.80 3i44 h VAL 325 Ca -0.48 -2.42 -0.09 0.00 -1.01 0.00 0.00 66.70 62.69 3i44 h VAL 325 Cb 1.29 2.31 -0.12 0.00 -2.01 0.00 0.00 31.29 32.75 3i44 h VAL 325 CO 0.61 0.70 -0.29 -0.94 -1.01 0.00 0.00 177.57 176.64 3i44 s SER 326 N -6.85 0.01 0.12 3.17 1.04 -1.26 -4.50 113.70 105.44 3i44 s SER 326 Ca -0.02 -0.82 -0.18 0.00 0.48 0.00 0.00 55.95 55.42 3i44 s SER 326 Cb 0.12 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 3i44 s SER 326 CO 0.79 -0.90 1.73 0.50 0.98 0.00 0.00 173.24 176.34 3i44 h LYS 327 N 2.52 0.42 -0.67 4.02 1.63 -1.98 0.31 116.57 122.82 3i44 h LYS 327 Ca -0.32 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.42 3i44 h LYS 327 Cb 1.23 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.75 3i44 h LYS 327 CO 0.48 0.36 0.34 0.93 -3.45 0.00 0.00 179.45 178.10 3i44 h GLU 328 N 0.37 0.95 -0.13 1.90 3.07 -1.99 0.27 114.58 119.03 3i44 h GLU 328 Ca 0.11 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3i44 h GLU 328 Cb 0.06 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3i44 h GLU 328 CO -0.02 0.74 0.05 1.96 -1.40 0.00 0.00 179.01 180.34 3i44 h GLN 329 N 0.92 0.20 -0.50 2.33 1.08 -1.92 -1.75 115.11 115.46 3i44 h GLN 329 Ca 0.23 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.48 3i44 h GLN 329 Cb 0.09 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.41 3i44 h GLN 329 CO -0.03 0.30 0.08 -0.92 -0.95 0.00 0.00 178.83 177.31 3i44 h TYR 330 N 0.05 0.12 -0.68 2.96 3.20 -0.00 -0.82 116.97 121.79 3i44 h TYR 330 Ca 0.04 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3i44 h TYR 330 Cb 0.18 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3i44 h TYR 330 CO -0.01 -0.03 0.23 -0.44 -1.64 0.00 0.00 178.16 176.27 3i44 h ASP 331 N 0.21 0.97 -0.90 -2.11 3.32 -0.38 -0.55 116.42 116.98 3i44 h ASP 331 Ca 0.25 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3i44 h ASP 331 Cb 0.36 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3i44 h ASP 331 CO -0.35 0.91 0.52 0.11 -1.72 0.00 0.00 179.24 178.70 3i44 h LYS 332 N 0.98 1.25 -0.21 3.56 1.57 -0.80 -1.40 116.57 121.51 3i44 h LYS 332 Ca 0.22 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3i44 h LYS 332 Cb 0.27 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3i44 h LYS 332 CO -0.01 0.90 -0.21 0.82 -0.57 0.00 0.00 179.45 180.38 3i44 h ILE 333 N 1.26 1.32 -0.77 1.86 2.04 -0.71 -1.88 117.51 120.63 3i44 h ILE 333 Ca 0.32 -1.37 0.07 0.00 1.00 0.00 0.00 64.86 64.88 3i44 h ILE 333 Cb -0.01 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 3i44 h ILE 333 CO -0.06 0.42 0.45 1.56 0.00 0.00 0.00 178.15 180.53 3i44 h GLN 334 N 0.21 0.79 -0.85 2.37 1.08 -0.92 0.18 115.11 117.97 3i44 h GLN 334 Ca 0.03 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3i44 h GLN 334 Cb 0.76 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.97 3i44 h GLN 334 CO 0.05 0.52 0.42 0.22 -0.95 0.00 0.00 178.83 179.10 3i44 h ASP 335 N 0.82 1.10 -0.24 1.46 3.58 -1.09 -0.11 116.42 121.93 3i44 h ASP 335 Ca 0.35 -0.13 -0.20 0.00 0.42 0.00 0.00 57.03 57.47 3i44 h ASP 335 Cb 0.21 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.98 3i44 h ASP 335 CO -0.19 0.91 -0.63 -0.07 -2.88 0.00 0.00 179.24 176.38 3i44 h LEU 336 N 1.20 0.97 0.14 2.28 3.38 -0.48 0.08 115.31 122.88 3i44 h LEU 336 Ca 0.29 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i44 h LEU 336 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3i44 h LEU 336 CO -0.04 1.36 -0.12 0.40 0.09 0.00 0.00 178.44 180.13 3i44 h ILE 337 N 0.63 0.73 -0.89 1.22 2.04 -0.44 -1.76 117.51 119.05 3i44 h ILE 337 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 3i44 h ILE 337 Cb 1.25 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.97 3i44 h ILE 337 CO 0.14 0.00 0.51 -0.61 0.00 0.00 0.00 178.15 178.18 3i44 h GLN 338 N -0.28 0.75 -0.78 2.37 5.75 -0.93 -0.34 115.11 121.66 3i44 h GLN 338 Ca -0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 3i44 h GLN 338 Cb 0.26 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 3i44 h GLN 338 CO -0.02 0.50 0.51 0.66 -2.65 0.00 0.00 178.83 177.82 3i44 h SER 339 N 0.77 0.77 -0.37 -0.69 4.64 -0.48 0.36 113.55 118.55 3i44 h SER 339 Ca 0.46 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.74 3i44 h SER 339 Cb 0.53 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3i44 h SER 339 CO -0.30 0.51 0.11 1.23 -0.87 0.00 0.00 176.83 177.50 3i44 h GLY 340 N 0.88 0.63 1.00 -0.77 0.00 -0.20 0.15 103.07 104.75 3i44 h GLY 340 Ca 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3i44 h GLY 340 CO -0.11 0.36 -0.07 -2.22 0.00 0.00 0.00 176.54 174.50 3i44 h ILE 341 N 0.45 0.85 -0.19 2.60 2.04 -0.83 -1.91 117.51 120.52 3i44 h ILE 341 Ca 0.12 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 3i44 h ILE 341 Cb 0.28 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3i44 h ILE 341 CO -0.00 0.00 -0.13 0.44 0.00 0.00 0.00 178.15 178.46 3i44 h ASP 342 N -0.20 0.29 0.15 1.72 3.32 -0.73 -1.73 116.42 119.23 3i44 h ASP 342 Ca -0.02 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3i44 h ASP 342 Cb 0.16 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3i44 h ASP 342 CO 0.03 0.46 -0.02 -0.62 -1.72 0.00 0.00 179.24 177.36 3i44 n GLU 343 N -4.25 0.98 -0.45 3.56 1.02 0.50 -4.92 120.64 117.08 3i44 n GLU 343 Ca -0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 3i44 n GLU 343 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3i44 n GLU 343 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i44 n GLY 344 N 1.13 0.73 3.79 0.62 0.00 -0.65 -5.07 105.19 105.73 3i44 n GLY 344 Ca 0.20 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3i44 n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i44 s ALA 345 N -2.00 2.68 -0.23 4.61 0.00 -0.73 -4.99 121.76 121.10 3i44 s ALA 345 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3i44 s ALA 345 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 3i44 s ALA 345 CO 0.00 -0.83 1.42 0.99 0.00 0.00 0.00 175.76 177.34 3i44 s THR 346 N -2.15 3.98 -0.44 0.00 2.01 -0.36 -4.69 115.64 114.00 3i44 s THR 346 Ca 0.68 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 63.51 3i44 s THR 346 Cb -0.19 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.40 3i44 s THR 346 CO 0.32 -0.32 1.31 -0.22 -0.69 0.00 0.00 174.62 175.02 3i44 s LEU 347 N 4.47 3.60 -0.11 4.42 2.96 -1.26 -0.90 118.68 131.86 3i44 s LEU 347 Ca 0.62 0.69 -0.18 0.00 -0.22 0.00 0.00 54.13 55.04 3i44 s LEU 347 Cb -0.21 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.67 3i44 s LEU 347 CO 0.24 -1.37 0.56 0.58 -1.32 0.00 0.00 176.35 175.04 3i44 h VAL 348 N 6.38 1.12 -2.86 1.68 2.07 -1.29 -3.49 116.25 119.87 3i44 h VAL 348 Ca -0.26 -2.38 0.09 0.00 0.82 0.00 0.00 66.70 64.97 3i44 h VAL 348 Cb 1.09 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.56 3i44 h VAL 348 CO 1.10 0.65 0.29 0.28 0.02 0.00 0.00 177.57 179.91 3i44 s THR 349 N -2.44 0.00 0.00 2.57 -1.32 -1.20 -4.98 115.64 108.27 3i44 s THR 349 Ca -0.20 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 3i44 s THR 349 Cb 0.04 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 3i44 s THR 349 CO 0.75 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.77 3i44 n GLY 350 N -0.47 0.25 0.00 6.08 0.00 -1.24 -2.08 105.19 107.73 3i44 n GLY 350 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3i44 n GLY 350 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i44 n GLY 351 N 0.00 0.87 3.86 -0.02 0.00 -1.26 -4.95 105.19 103.70 3i44 n GLY 351 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3i44 n GLY 351 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i44 s THR 352 N -3.22 4.67 0.00 2.61 -4.23 -1.26 -4.46 115.64 109.75 3i44 s THR 352 Ca 0.00 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 3i44 s THR 352 Cb 0.00 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3i44 s THR 352 CO 0.00 -1.00 0.00 0.61 -0.54 0.00 0.00 174.62 173.69 3i44 n GLY 353 N -2.37 -0.05 3.77 3.99 0.00 -1.26 -4.96 105.19 104.31 3i44 n GLY 353 Ca 0.06 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3i44 n GLY 353 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i44 s LEU 354 N -2.10 4.13 0.61 0.99 1.43 -1.26 -4.22 118.68 118.27 3i44 s LEU 354 Ca 0.00 2.42 -0.19 0.00 -1.03 0.00 0.00 54.13 55.33 3i44 s LEU 354 Cb 0.00 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 3i44 s LEU 354 CO 0.00 -0.82 1.27 -2.84 0.23 0.00 0.00 176.35 174.19 3i44 s PRO 355 N -2.42 2.78 0.23 1.29 0.02 -1.26 -4.87 135.00 130.76 3i44 s PRO 355 Ca 0.59 2.00 -0.32 0.00 0.02 0.00 0.00 61.00 63.30 3i44 s PRO 355 Cb -0.32 -1.93 -0.13 0.00 0.02 0.00 0.00 34.50 32.14 3i44 s PRO 355 CO 0.40 -1.41 1.42 -0.12 -0.33 0.00 0.00 177.00 176.96 3i44 n MET 356 N -1.68 2.02 0.00 5.54 1.56 -1.26 -2.08 117.12 121.22 3i44 n MET 356 Ca 0.14 0.72 0.00 0.00 -0.27 0.00 0.00 57.70 58.29 3i44 n MET 356 Cb 0.48 -2.38 0.00 0.00 2.15 0.00 0.00 33.22 33.47 3i44 n MET 356 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i44 n GLY 357 N 2.26 3.06 3.69 -5.12 0.00 -1.26 -5.04 105.19 102.79 3i44 n GLY 357 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3i44 n GLY 357 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i44 s MET 358 N -0.76 4.32 -0.18 1.61 1.00 -0.89 -4.95 119.30 119.46 3i44 s MET 358 Ca 0.00 0.67 0.16 0.00 0.00 0.00 0.00 55.69 56.52 3i44 s MET 358 Cb 0.00 -3.50 -0.24 0.00 0.00 0.00 0.00 34.83 31.09 3i44 s MET 358 CO 0.00 -0.04 0.15 0.39 0.00 0.00 0.00 175.02 175.52 3i44 n GLU 359 N 4.30 0.68 -4.02 2.03 -0.58 -1.26 -4.83 120.64 116.96 3i44 n GLU 359 Ca -0.03 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.67 3i44 n GLU 359 Cb 0.51 -1.57 -0.07 0.00 -0.57 0.00 0.00 31.44 29.74 3i44 n GLU 359 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3i44 s ARG 360 N -2.51 1.28 0.00 3.49 1.70 -1.26 -5.14 118.95 116.51 3i44 s ARG 360 Ca -0.11 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 53.87 3i44 s ARG 360 Cb 0.07 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 3i44 s ARG 360 CO 0.81 -0.48 0.00 0.41 -1.08 0.00 0.00 175.30 174.96 3i44 n GLY 361 N -0.27 1.72 2.43 3.88 0.00 -1.26 -4.81 105.19 106.88 3i44 n GLY 361 Ca -0.04 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3i44 n GLY 361 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i44 n TYR 362 N 1.61 2.49 -3.02 1.61 4.01 -0.85 -4.95 117.16 118.06 3i44 n TYR 362 Ca 0.00 -2.84 -0.40 0.00 -0.16 0.00 0.00 57.90 54.49 3i44 n TYR 362 Cb 0.00 -1.97 -0.05 0.00 -0.31 0.00 0.00 39.34 37.01 3i44 n TYR 362 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3i44 s TYR 363 N -0.38 3.45 -0.06 -0.72 2.02 -1.26 -0.98 117.35 119.42 3i44 s TYR 363 Ca 0.58 1.14 -0.00 0.00 -0.37 0.00 0.00 57.07 58.41 3i44 s TYR 363 Cb 0.19 -2.88 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 3i44 s TYR 363 CO -0.09 -0.13 -0.02 0.08 -1.57 0.00 0.00 175.55 173.82 3i44 s VAL 364 N 1.69 4.09 0.07 0.71 1.01 -1.26 -4.32 120.40 122.39 3i44 s VAL 364 Ca 0.35 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3i44 s VAL 364 Cb -0.17 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 3i44 s VAL 364 CO 0.13 0.56 1.04 -0.13 0.00 0.00 0.00 175.10 176.71 3i44 s ARG 365 N -0.98 4.57 -0.08 2.72 0.52 -1.26 -4.87 118.95 119.57 3i44 s ARG 365 Ca 0.14 1.55 -0.35 0.00 -0.52 0.00 0.00 55.73 56.55 3i44 s ARG 365 Cb -0.11 -3.39 -0.13 0.00 0.52 0.00 0.00 34.95 31.85 3i44 s ARG 365 CO 0.03 -0.01 1.82 -2.30 0.02 0.00 0.00 175.30 174.86 3i44 n PRO 366 N 3.39 2.02 -4.79 3.54 -0.02 -1.26 -4.53 135.00 133.35 3i44 n PRO 366 Ca 0.05 0.74 -0.25 0.00 -2.02 0.00 0.00 63.50 62.03 3i44 n PRO 366 Cb 0.49 -2.55 -0.16 0.00 -0.02 0.00 0.00 33.50 31.26 3i44 n PRO 366 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i44 s THR 367 N 3.59 1.34 -0.09 3.45 2.01 -0.31 -3.66 115.64 121.96 3i44 s THR 367 Ca 0.92 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.25 3i44 s THR 367 Cb -0.74 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 70.64 3i44 s THR 367 CO 0.52 0.38 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.95 3i44 s VAL 368 N -0.21 1.70 0.00 3.82 1.01 -0.88 -1.32 120.40 124.52 3i44 s VAL 368 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3i44 s VAL 368 Cb -0.08 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3i44 s VAL 368 CO 0.00 0.48 -0.06 -0.36 0.00 0.00 0.00 175.10 175.16 3i44 s PHE 369 N 0.54 2.90 0.36 5.22 0.08 -0.09 -0.73 117.98 126.27 3i44 s PHE 369 Ca -0.16 -0.03 0.04 0.00 0.12 0.00 0.00 56.93 56.91 3i44 s PHE 369 Cb -0.17 -1.61 -0.06 0.00 -0.57 0.00 0.00 43.02 40.61 3i44 s PHE 369 CO 0.06 0.38 0.05 0.00 -0.10 0.00 0.00 175.22 175.61 3i44 s ALA 370 N -1.01 2.69 -1.52 5.36 0.00 -0.08 0.05 121.76 127.25 3i44 s ALA 370 Ca 0.17 -1.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.08 3i44 s ALA 370 Cb -0.11 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.61 3i44 s ALA 370 CO 0.08 -0.25 0.75 -0.25 0.00 0.00 0.00 175.76 176.08 3i44 n ASP 371 N -0.84 -2.75 -4.78 0.00 8.00 -0.94 -1.22 116.55 114.01 3i44 n ASP 371 Ca -0.04 -0.91 -0.38 0.00 0.71 0.00 0.00 54.79 54.17 3i44 n ASP 371 Cb 0.67 -3.37 -0.06 0.00 -0.02 0.00 0.00 41.12 38.33 3i44 n ASP 371 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i44 s VAL 372 N -3.51 4.32 0.15 2.53 1.01 -0.98 -4.50 120.40 119.42 3i44 s VAL 372 Ca 0.43 1.69 0.09 0.00 0.00 0.00 0.00 61.98 64.19 3i44 s VAL 372 Cb -0.23 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3i44 s VAL 372 CO 0.87 0.30 -0.13 -0.54 0.00 0.00 0.00 175.10 175.60 3i44 s LYS 373 N -1.70 1.95 0.57 2.72 -0.14 -1.26 -4.73 119.74 117.15 3i44 s LYS 373 Ca 0.44 -1.23 0.29 0.00 -1.36 0.00 0.00 55.97 54.10 3i44 s LYS 373 Cb -0.20 -2.14 1.48 0.00 -1.68 0.00 0.00 37.83 35.29 3i44 s LYS 373 CO 0.25 0.45 1.93 -1.35 -0.76 0.00 0.00 175.35 175.87 3i44 h PRO 374 N 3.26 0.00 0.00 -1.68 0.11 -1.98 -1.48 132.00 130.23 3i44 h PRO 374 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i44 h PRO 374 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i44 h PRO 374 CO 0.51 0.00 -0.23 -2.39 -0.21 0.00 0.00 178.00 175.68 3i44 n HIS 375 N -3.88 0.31 -2.44 0.65 1.44 -1.26 -4.68 115.22 105.36 3i44 n HIS 375 Ca 0.09 0.09 -0.37 0.00 -2.01 0.00 0.00 57.72 55.52 3i44 n HIS 375 Cb 0.66 -0.57 -0.03 0.00 0.12 0.00 0.00 29.99 30.18 3i44 n HIS 375 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3i44 s MET 376 N -3.05 4.05 0.30 -1.40 -1.94 -0.56 -4.92 119.30 111.77 3i44 s MET 376 Ca 0.11 1.62 0.02 0.00 -1.71 0.00 0.00 55.69 55.72 3i44 s MET 376 Cb 0.16 -2.52 0.56 0.00 2.01 0.00 0.00 34.83 35.04 3i44 s MET 376 CO 0.62 -0.27 1.89 0.00 -0.01 0.00 0.00 175.02 177.25 3i44 h ARG 377 N 2.39 0.96 0.00 2.03 3.08 -1.90 -1.77 114.38 119.17 3i44 h ARG 377 Ca -0.49 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.48 3i44 h ARG 377 Cb 1.23 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 3i44 h ARG 377 CO 0.62 0.64 -0.13 -0.84 -1.07 0.00 0.00 179.97 179.18 3i44 h ILE 378 N 0.99 0.41 -0.00 2.04 3.07 -1.87 0.42 117.51 122.57 3i44 h ILE 378 Ca 0.42 -0.76 -0.22 0.00 1.55 0.00 0.00 64.86 65.86 3i44 h ILE 378 Cb 0.32 1.55 -0.00 0.00 -0.27 0.00 0.00 36.82 38.41 3i44 h ILE 378 CO -0.18 0.13 -0.91 0.15 -1.05 0.00 0.00 178.15 176.29 3i44 h PHE 379 N 0.00 0.53 0.01 0.16 3.57 -1.60 -3.40 116.94 116.21 3i44 h PHE 379 Ca -0.00 -0.29 -0.36 0.00 3.53 0.00 0.00 57.97 60.85 3i44 h PHE 379 Cb 0.54 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 3i44 h PHE 379 CO 0.00 1.10 -2.29 0.54 -2.23 0.00 0.00 178.31 175.44 3i44 n ARG 380 N -3.73 0.68 -3.91 1.11 1.74 -0.75 -4.96 116.66 106.83 3i44 n ARG 380 Ca -0.06 0.10 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 3i44 n ARG 380 Cb 0.82 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 3i44 n ARG 380 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i44 s GLU 381 N -2.52 3.41 -0.06 5.56 2.02 0.06 -4.97 118.70 122.21 3i44 s GLU 381 Ca -0.16 -0.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 3i44 s GLU 381 Cb 0.07 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 3i44 s GLU 381 CO 0.77 0.71 1.26 -2.00 0.02 0.00 0.00 175.26 176.03 3i44 s GLU 382 N -1.57 4.32 -0.15 1.61 2.12 -1.26 -4.81 118.70 118.97 3i44 s GLU 382 Ca 0.22 1.75 -0.02 0.00 0.36 0.00 0.00 54.97 57.28 3i44 s GLU 382 Cb -0.12 -3.59 -0.24 0.00 0.26 0.00 0.00 34.13 30.43 3i44 s GLU 382 CO 0.13 -0.52 0.25 -0.89 -0.54 0.00 0.00 175.26 173.69 3i44 n ILE 383 N 4.73 1.69 -2.74 -3.70 5.41 -1.26 -5.00 119.36 118.50 3i44 n ILE 383 Ca 0.12 -0.66 -0.21 0.00 1.00 0.00 0.00 62.75 63.01 3i44 n ILE 383 Cb 0.45 -1.56 0.02 0.00 -0.71 0.00 0.00 39.64 37.84 3i44 n ILE 383 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3i44 n PHE 384 N -3.37 -1.49 -4.27 1.39 0.99 -1.26 -4.70 117.46 104.74 3i44 n PHE 384 Ca -0.34 0.30 -0.18 0.00 -0.00 0.00 0.00 57.45 57.23 3i44 n PHE 384 Cb 1.04 -4.12 -0.09 0.00 -1.00 0.00 0.00 39.48 35.31 3i44 n PHE 384 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i44 s GLY 385 N -2.48 2.14 -1.42 1.37 0.00 -1.25 -4.38 107.32 101.30 3i44 s GLY 385 Ca 0.17 -1.99 -0.15 0.00 0.00 0.00 0.00 44.72 42.76 3i44 s GLY 385 CO 0.21 -1.46 2.17 -1.55 0.00 0.00 0.00 173.10 172.47 3i44 n PRO 386 N -0.55 2.84 -3.78 2.90 -0.04 -0.89 -4.27 135.00 131.22 3i44 n PRO 386 Ca 0.06 -2.65 -0.27 0.00 -0.04 0.00 0.00 63.50 60.61 3i44 n PRO 386 Cb 0.63 -3.30 -0.17 0.00 -0.04 0.00 0.00 33.50 30.62 3i44 n PRO 386 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i44 s VAL 387 N 3.39 0.64 -0.10 0.52 1.01 -1.26 -1.16 120.40 123.45 3i44 s VAL 387 Ca 0.48 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3i44 s VAL 387 Cb 0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3i44 s VAL 387 CO -0.06 -0.03 0.02 -0.22 0.00 0.00 0.00 175.10 174.81 3i44 s LEU 388 N 1.82 3.70 -0.20 3.92 2.96 -0.44 -4.92 118.68 125.53 3i44 s LEU 388 Ca 0.01 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3i44 s LEU 388 Cb -0.16 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3i44 s LEU 388 CO -0.07 0.37 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.83 3i44 s SER 389 N -0.83 4.26 -0.02 3.68 0.01 -0.83 -0.91 113.70 119.06 3i44 s SER 389 Ca 0.13 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.03 3i44 s SER 389 Cb -0.12 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 3i44 s SER 389 CO 0.02 0.02 -0.01 -0.76 0.41 0.00 0.00 173.24 172.93 3i44 s LEU 390 N 1.21 3.49 0.07 2.44 1.02 0.11 -0.48 118.68 126.53 3i44 s LEU 390 Ca 0.02 0.01 -0.20 0.00 0.02 0.00 0.00 54.13 53.99 3i44 s LEU 390 Cb -0.14 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.16 3i44 s LEU 390 CO -0.02 0.30 0.47 -1.48 0.02 0.00 0.00 176.35 175.65 3i44 s LEU 391 N -1.38 0.13 0.40 1.79 2.34 -0.86 -2.23 118.68 118.87 3i44 s LEU 391 Ca 0.18 0.01 -0.00 0.00 0.06 0.00 0.00 54.13 54.38 3i44 s LEU 391 Cb -0.11 1.99 -0.02 0.00 -0.56 0.00 0.00 46.19 47.48 3i44 s LEU 391 CO 0.08 -0.75 0.63 -2.16 -1.06 0.00 0.00 176.35 173.09 3i44 s PRO 392 N -2.81 3.33 0.11 1.48 0.04 -1.26 -1.34 135.00 134.54 3i44 s PRO 392 Ca -0.03 -0.32 0.02 0.00 0.04 0.00 0.00 61.00 60.70 3i44 s PRO 392 Cb -0.00 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 3i44 s PRO 392 CO -0.05 -0.06 -0.07 -0.59 0.04 0.00 0.00 177.00 176.28 3i44 s PHE 393 N -2.46 0.94 -0.09 0.56 -0.12 -0.01 -4.78 117.98 112.01 3i44 s PHE 393 Ca 0.44 -0.90 0.06 0.00 -0.05 0.00 0.00 56.93 56.48 3i44 s PHE 393 Cb -0.10 -0.53 -0.10 0.00 -0.63 0.00 0.00 43.02 41.66 3i44 s PHE 393 CO 0.38 -0.13 0.00 0.09 -0.05 0.00 0.00 175.22 175.52 3i44 n ASN 394 N -0.06 2.87 -4.39 1.98 3.02 -1.26 -0.84 115.26 116.58 3i44 n ASN 394 Ca -0.12 -0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.22 3i44 n ASN 394 Cb 0.61 0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 40.20 3i44 n ASN 394 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i44 s THR 395 N -2.22 1.51 0.16 3.41 -4.23 -1.26 -4.90 115.64 108.10 3i44 s THR 395 Ca -0.07 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.17 3i44 s THR 395 Cb 0.03 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.55 3i44 s THR 395 CO 0.34 -0.37 1.78 -0.33 -0.54 0.00 0.00 174.62 175.51 3i44 h GLU 396 N 2.38 0.40 -1.00 3.99 5.08 -2.00 -1.53 114.58 121.91 3i44 h GLU 396 Ca -0.39 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.06 3i44 h GLU 396 Cb 1.23 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 3i44 h GLU 396 CO 0.66 0.27 0.63 -0.44 -1.00 0.00 0.00 179.01 179.13 3i44 h ASP 397 N 0.42 0.94 -0.52 1.42 3.32 -1.99 -1.36 116.42 118.64 3i44 h ASP 397 Ca 0.16 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3i44 h ASP 397 Cb 0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3i44 h ASP 397 CO -0.10 0.51 -0.14 -0.08 -1.72 0.00 0.00 179.24 177.71 3i44 h GLU 398 N 1.02 1.01 -0.47 3.56 4.81 -1.80 -0.85 114.58 121.85 3i44 h GLU 398 Ca 0.49 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3i44 h GLU 398 Cb 0.45 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3i44 h GLU 398 CO -0.26 1.08 0.22 0.00 -0.73 0.00 0.00 179.01 179.32 3i44 h ALA 399 N 0.91 0.61 -0.54 2.92 0.00 -0.65 -1.14 119.26 121.36 3i44 h ALA 399 Ca 0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3i44 h ALA 399 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i44 h ALA 399 CO 0.05 0.18 0.07 0.28 0.00 0.00 0.00 179.25 179.84 3i44 h VAL 400 N 0.62 1.26 0.13 0.00 2.07 -1.15 0.40 116.25 119.58 3i44 h VAL 400 Ca 0.16 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3i44 h VAL 400 Cb 0.14 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3i44 h VAL 400 CO -0.02 0.35 -0.06 0.74 0.02 0.00 0.00 177.57 178.61 3i44 h THR 401 N 0.79 0.91 -0.33 2.57 2.02 -0.97 -0.26 112.91 117.64 3i44 h THR 401 Ca 0.16 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.25 3i44 h THR 401 Cb 0.43 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3i44 h THR 401 CO 0.01 0.03 0.12 -0.07 0.37 0.00 0.00 175.52 175.99 3i44 h LEU 402 N -0.23 0.15 -1.28 2.58 3.38 -1.14 -1.87 115.31 116.92 3i44 h LEU 402 Ca -0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3i44 h LEU 402 Cb 0.18 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3i44 h LEU 402 CO 0.03 0.12 0.50 0.00 0.09 0.00 0.00 178.44 179.18 3i44 h ALA 403 N 1.20 1.51 -0.01 1.53 0.00 -0.67 -2.28 119.26 120.54 3i44 h ALA 403 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i44 h ALA 403 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3i44 h ALA 403 CO -0.14 0.43 -0.01 0.09 0.00 0.00 0.00 179.25 179.62 3i44 n ASN 404 N -4.44 0.99 -3.98 0.00 3.02 -0.13 -4.61 115.26 106.12 3i44 n ASN 404 Ca 0.09 -1.29 -0.43 0.00 -0.03 0.00 0.00 54.58 52.93 3i44 n ASN 404 Cb 0.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3i44 n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i44 n ASP 405 N -0.25 4.54 -3.55 6.41 2.03 -0.73 -4.80 116.55 120.20 3i44 n ASP 405 Ca 0.20 -2.95 -0.08 0.00 0.52 0.00 0.00 54.79 52.48 3i44 n ASP 405 Cb 0.28 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.04 3i44 n ASP 405 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3i44 s THR 406 N 2.35 0.00 -0.99 5.18 -1.32 -1.26 -4.99 115.64 114.61 3i44 s THR 406 Ca 0.45 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.18 3i44 s THR 406 Cb 0.09 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3i44 s THR 406 CO -0.03 0.00 1.39 -0.62 -2.21 0.00 0.00 174.62 173.16 3i44 n GLU 407 N 0.20 0.01 -2.25 7.08 -0.58 -1.26 -4.93 120.64 118.91 3i44 n GLU 407 Ca -0.07 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.41 3i44 n GLU 407 Cb 0.59 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 30.06 3i44 n GLU 407 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3i44 s TYR 408 N -3.00 2.32 -0.30 -0.32 2.02 -1.26 -1.20 117.35 115.60 3i44 s TYR 408 Ca 0.11 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 57.07 3i44 s TYR 408 Cb 0.17 -3.33 0.33 0.00 -0.40 0.00 0.00 41.96 38.73 3i44 s TYR 408 CO 0.71 -1.72 1.45 0.41 -1.57 0.00 0.00 175.55 174.82 3i44 n GLY 409 N -3.06 -1.85 0.00 0.71 0.00 -1.24 -4.79 105.19 94.96 3i44 n GLY 409 Ca 0.11 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.14 3i44 n GLY 409 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i44 n LEU 410 N 0.55 0.50 -4.26 0.99 7.94 -1.26 -1.28 117.00 120.17 3i44 n LEU 410 Ca -0.07 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.50 3i44 n LEU 410 Cb 0.77 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.56 3i44 n LEU 410 CO -0.13 0.00 -0.51 -0.89 -1.11 0.00 0.00 177.39 174.75 3i44 s THR 411 N 0.00 2.44 0.24 1.96 2.01 -1.26 -1.15 115.64 119.89 3i44 s THR 411 Ca 0.00 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.21 3i44 s THR 411 Cb 0.00 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 3i44 s THR 411 CO 0.00 0.54 0.08 0.20 -0.69 0.00 0.00 174.62 174.75 3i44 s ASN 412 N 0.50 5.02 0.01 3.53 0.01 -0.75 -4.28 114.94 118.97 3i44 s ASN 412 Ca -0.13 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.64 3i44 s ASN 412 Cb -0.17 -1.13 -0.01 0.00 0.41 0.00 0.00 41.25 40.35 3i44 s ASN 412 CO 0.05 0.01 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.22 3i44 s TYR 413 N -2.11 1.02 -0.03 2.20 2.02 0.66 -1.49 117.35 119.62 3i44 s TYR 413 Ca 0.31 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3i44 s TYR 413 Cb -0.08 -0.64 0.03 0.00 -0.40 0.00 0.00 41.96 40.87 3i44 s TYR 413 CO 0.22 -0.00 0.00 0.42 -1.57 0.00 0.00 175.55 174.62 3i44 s ILE 414 N -0.51 0.17 -0.25 2.71 1.01 -0.94 -0.25 121.20 123.13 3i44 s ILE 414 Ca 0.02 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.81 3i44 s ILE 414 Cb -0.06 -0.28 0.05 0.00 0.01 0.00 0.00 42.46 42.19 3i44 s ILE 414 CO 0.00 0.15 -0.12 -1.10 0.00 0.00 0.00 174.94 173.88 3i44 s GLN 415 N 1.15 2.41 -0.24 2.79 -1.52 0.18 -1.11 119.66 123.31 3i44 s GLN 415 Ca -0.08 -1.24 -0.26 0.00 -1.95 0.00 0.00 55.36 51.84 3i44 s GLN 415 Cb -0.13 -2.86 0.08 0.00 -0.22 0.00 0.00 33.01 29.88 3i44 s GLN 415 CO -0.02 -0.50 0.80 0.45 -0.25 0.00 0.00 175.29 175.76 3i44 s SER 416 N 1.15 -0.66 0.00 5.90 0.15 -1.26 -1.31 113.70 117.68 3i44 s SER 416 Ca -0.06 1.19 0.30 0.00 0.70 0.00 0.00 55.95 58.08 3i44 s SER 416 Cb -0.19 1.18 1.43 0.00 -1.71 0.00 0.00 66.02 66.74 3i44 s SER 416 CO -0.06 -0.27 2.00 0.00 1.20 0.00 0.00 173.24 176.10 3i44 n GLN 417 N 2.29 0.49 -2.85 5.44 6.02 -0.84 -4.64 117.38 123.30 3i44 n GLN 417 Ca -0.14 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.00 56.36 3i44 n GLN 417 Cb 0.56 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.28 3i44 n GLN 417 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i44 s ASP 418 N -2.55 6.20 0.24 1.08 -1.08 -1.26 -4.94 116.67 114.36 3i44 s ASP 418 Ca 0.29 -0.87 -0.07 0.00 -0.52 0.00 0.00 52.55 51.38 3i44 s ASP 418 Cb 0.20 -2.42 0.25 0.00 -1.46 0.00 0.00 42.92 39.49 3i44 s ASP 418 CO 0.47 -1.41 1.90 -0.09 0.52 0.00 0.00 175.17 176.55 3i44 h ARG 419 N 9.53 1.13 -0.51 4.34 2.43 -1.99 0.70 114.38 130.01 3i44 h ARG 419 Ca -0.28 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 58.86 3i44 h ARG 419 Cb 1.07 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3i44 h ARG 419 CO 1.17 0.75 0.28 0.77 -1.51 0.00 0.00 179.97 181.42 3i44 h SER 420 N 1.16 0.41 -0.52 -3.80 0.02 -1.97 -0.27 113.55 108.59 3i44 h SER 420 Ca 0.35 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.25 3i44 h SER 420 Cb -0.05 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3i44 h SER 420 CO -0.10 0.29 0.07 0.50 -1.14 0.00 0.00 176.83 176.45 3i44 h LYS 421 N 0.54 0.87 -0.76 3.45 3.64 -1.61 -1.43 116.57 121.27 3i44 h LYS 421 Ca 0.22 -0.24 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 3i44 h LYS 421 Cb 0.10 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3i44 h LYS 421 CO -0.14 0.87 0.37 0.00 -2.27 0.00 0.00 179.45 178.28 3i44 h ARG 423 N 0.59 0.30 -0.33 0.00 3.08 -0.72 -0.67 114.38 116.63 3i44 h ARG 423 Ca 0.39 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.37 3i44 h ARG 423 Cb 0.48 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3i44 h ARG 423 CO -0.31 0.61 -0.01 0.00 -1.07 0.00 0.00 179.97 179.20 3i44 h ARG 424 N -0.03 0.09 -0.31 0.04 3.08 -1.02 -2.13 114.38 114.10 3i44 h ARG 424 Ca 0.03 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3i44 h ARG 424 Cb 0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3i44 h ARG 424 CO 0.02 0.06 -0.13 0.82 -1.07 0.00 0.00 179.97 179.67 3i44 h ILE 425 N 0.09 1.29 -0.88 2.04 1.08 -1.24 -2.94 117.51 116.94 3i44 h ILE 425 Ca 0.16 -1.22 0.09 0.00 -0.39 0.00 0.00 64.86 63.50 3i44 h ILE 425 Cb 0.22 1.42 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 3i44 h ILE 425 CO -0.27 0.39 0.57 0.00 -0.69 0.00 0.00 178.15 178.15 3i44 h ALA 426 N 0.77 1.61 0.00 1.87 0.00 -1.02 -1.64 119.26 120.85 3i44 h ALA 426 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3i44 h ALA 426 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3i44 h ALA 426 CO 0.04 0.22 -0.36 0.00 0.00 0.00 0.00 179.25 179.16 3i44 h ALA 427 N 1.55 1.00 0.00 0.00 0.00 -1.28 -3.29 119.26 117.24 3i44 h ALA 427 Ca 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i44 h ALA 427 Cb 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i44 h ALA 427 CO -0.17 0.44 -1.39 1.04 0.00 0.00 0.00 179.25 179.18 3i44 n GLN 428 N -3.52 0.63 -2.88 0.00 6.02 -0.68 -4.94 117.38 112.01 3i44 n GLN 428 Ca -0.00 0.01 -0.36 0.00 -0.01 0.00 0.00 57.00 56.64 3i44 n GLN 428 Cb 0.50 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 3i44 n GLN 428 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3i44 s VAL 429 N -3.39 4.33 -0.81 5.09 -7.23 -0.82 -4.99 120.40 112.58 3i44 s VAL 429 Ca -0.03 1.64 -0.10 0.00 -1.81 0.00 0.00 61.98 61.68 3i44 s VAL 429 Cb 0.11 -3.93 0.21 0.00 0.56 0.00 0.00 36.38 33.33 3i44 s VAL 429 CO 0.83 0.12 0.72 -0.60 -0.31 0.00 0.00 175.10 175.86 3i44 s ARG 430 N -2.13 3.38 0.11 4.82 6.06 -1.26 -4.98 118.95 124.94 3i44 s ARG 430 Ca 0.49 -2.63 -0.12 0.00 -2.50 0.00 0.00 55.73 50.97 3i44 s ARG 430 Cb -0.17 -4.23 0.01 0.00 0.06 0.00 0.00 34.95 30.62 3i44 s ARG 430 CO 0.22 -1.25 0.28 -1.54 -2.50 0.00 0.00 175.30 170.50 3i44 s SER 431 N 1.50 -0.02 0.35 -2.12 1.04 -1.26 -4.50 113.70 108.68 3i44 s SER 431 Ca 0.20 -0.52 0.15 0.00 0.48 0.00 0.00 55.95 56.26 3i44 s SER 431 Cb -0.12 0.40 0.61 0.00 0.10 0.00 0.00 66.02 67.00 3i44 s SER 431 CO -0.08 -0.78 1.73 1.23 0.98 0.00 0.00 173.24 176.32 3i44 h GLY 432 N 2.59 0.00 -4.84 7.32 0.00 -0.99 -3.46 103.07 103.69 3i44 h GLY 432 Ca -0.34 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.67 3i44 h GLY 432 CO 0.52 0.00 -0.75 1.06 0.00 0.00 0.00 176.54 177.37 3i44 s MET 433 N -3.75 0.59 -0.06 4.80 -1.94 -0.30 -4.88 119.30 113.76 3i44 s MET 433 Ca -0.01 -0.67 -0.02 0.00 -1.71 0.00 0.00 55.69 53.28 3i44 s MET 433 Cb 0.12 -0.45 0.03 0.00 2.01 0.00 0.00 34.83 36.54 3i44 s MET 433 CO 0.72 0.10 0.03 0.08 -0.01 0.00 0.00 175.02 175.94 3i44 s VAL 434 N -1.07 0.14 -0.31 -6.03 1.01 -1.26 -1.82 120.40 111.07 3i44 s VAL 434 Ca -0.05 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 3i44 s VAL 434 Cb -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 3i44 s VAL 434 CO 0.01 0.21 0.21 -1.61 0.00 0.00 0.00 175.10 173.91 3i44 s GLU 435 N 2.07 3.67 -0.20 2.72 2.02 -0.55 -4.97 118.70 123.45 3i44 s GLU 435 Ca 0.05 -0.52 -0.09 0.00 0.02 0.00 0.00 54.97 54.43 3i44 s GLU 435 Cb -0.12 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.35 3i44 s GLU 435 CO -0.04 -0.33 0.11 0.08 0.02 0.00 0.00 175.26 175.10 3i44 s VAL 436 N 1.72 5.17 -1.51 2.63 1.01 -1.26 -2.22 120.40 125.94 3i44 s VAL 436 Ca 0.06 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 3i44 s VAL 436 Cb -0.17 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.93 3i44 s VAL 436 CO 0.10 0.43 1.00 0.59 0.00 0.00 0.00 175.10 177.22 3i44 n ASN 437 N 3.66 -5.04 0.00 3.32 3.02 -0.27 -1.21 115.26 118.74 3i44 n ASN 437 Ca -0.16 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3i44 n ASN 437 Cb 0.52 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3i44 n ASN 437 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i44 n GLY 438 N -1.72 0.63 3.67 7.41 0.00 -1.26 -4.99 105.19 108.93 3i44 n GLY 438 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3i44 n GLY 438 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i44 s HIS 439 N -2.75 3.34 0.68 1.61 3.76 -0.35 -5.03 115.29 116.55 3i44 s HIS 439 Ca 0.00 1.45 -0.13 0.00 -0.15 0.00 0.00 55.06 56.23 3i44 s HIS 439 Cb 0.00 -3.28 0.01 0.00 1.11 0.00 0.00 32.58 30.42 3i44 s HIS 439 CO 0.00 -0.57 1.08 -1.21 -0.85 0.00 0.00 174.74 173.19 3i44 s GLU 440 N 2.78 2.82 0.44 1.40 2.02 -1.26 -4.17 118.70 122.73 3i44 s GLU 440 Ca 0.47 1.20 -0.23 0.00 0.02 0.00 0.00 54.97 56.43 3i44 s GLU 440 Cb -0.17 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.01 3i44 s GLU 440 CO 0.12 -1.21 1.13 -0.51 0.02 0.00 0.00 175.26 174.81 3i44 s LEU 441 N -5.18 4.04 0.69 1.80 1.43 -1.26 -5.02 118.68 115.19 3i44 s LEU 441 Ca 0.63 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.83 3i44 s LEU 441 Cb -0.17 -4.24 0.01 0.00 0.03 0.00 0.00 46.19 41.82 3i44 s LEU 441 CO 0.47 -0.80 1.07 -2.16 0.23 0.00 0.00 176.35 175.15 3i44 s PRO 442 N -2.66 2.89 0.31 1.29 0.04 -1.26 -4.93 135.00 130.67 3i44 s PRO 442 Ca 0.62 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 3i44 s PRO 442 Cb -0.26 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 3i44 s PRO 442 CO 0.32 -1.14 1.59 0.20 0.04 0.00 0.00 177.00 178.01 3i44 s GLY 443 N -3.54 2.21 0.00 0.56 0.00 -1.26 -1.52 107.32 103.77 3i44 s GLY 443 Ca 0.60 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.90 3i44 s GLY 443 CO 0.52 2.53 0.00 0.61 0.00 0.00 0.00 173.10 176.76 3i44 n GLY 444 N 1.94 2.38 3.71 0.20 0.00 -1.26 -5.05 105.19 107.11 3i44 n GLY 444 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3i44 n GLY 444 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i44 s SER 445 N -1.94 3.81 0.70 1.61 0.15 -0.58 -4.32 113.70 113.14 3i44 s SER 445 Ca 0.00 2.20 -0.11 0.00 0.70 0.00 0.00 55.95 58.74 3i44 s SER 445 Cb 0.00 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 3i44 s SER 445 CO 0.00 -2.51 1.06 -0.72 1.20 0.00 0.00 173.24 172.27 3i44 s TYR 446 N -2.39 3.21 -0.14 3.44 -0.85 -1.26 -4.42 117.35 114.94 3i44 s TYR 446 Ca 0.69 1.30 0.02 0.00 -0.52 0.00 0.00 57.07 58.56 3i44 s TYR 446 Cb -0.25 -2.90 0.02 0.00 0.38 0.00 0.00 41.96 39.21 3i44 s TYR 446 CO 0.51 -1.19 -0.19 0.12 -1.52 0.00 0.00 175.55 173.29 3i44 s PHE 447 N -3.13 2.44 0.00 -3.49 5.36 0.40 -4.92 117.98 114.63 3i44 s PHE 447 Ca 0.58 -1.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 3i44 s PHE 447 Cb -0.13 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3i44 s PHE 447 CO 0.54 -0.63 0.00 0.41 -1.46 0.00 0.00 175.22 174.08 3i44 n GLY 448 N 4.33 1.06 0.00 13.12 0.00 -1.26 -1.64 105.19 120.80 3i44 n GLY 448 Ca -0.19 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3i44 n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i44 n GLY 449 N -0.54 6.48 3.38 -0.02 0.00 -1.24 -4.04 105.19 109.21 3i44 n GLY 449 Ca 0.00 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 3i44 n GLY 449 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i44 s VAL 450 N 0.57 0.76 0.00 1.61 -7.23 -0.41 -4.17 120.40 111.54 3i44 s VAL 450 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3i44 s VAL 450 Cb 0.00 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.27 3i44 s VAL 450 CO 0.00 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.08 3i44 n LYS 451 N -0.57 0.00 0.00 4.82 5.02 -1.26 -1.87 118.16 124.30 3i44 n LYS 451 Ca -0.01 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.38 3i44 n LYS 451 Cb 0.66 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 36.17 3i44 n LYS 451 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3i44 n PHE 452 N 14.00 0.00 1.65 2.13 3.01 -0.34 -1.66 117.46 136.24 3i44 n PHE 452 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 3i44 n PHE 452 Cb 0.00 -0.33 0.79 0.00 -0.01 0.00 0.00 39.48 39.92 3i44 n PHE 452 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i44 n SER 453 N -1.33 0.20 0.00 4.37 7.64 -0.78 -4.28 113.62 119.44 3i44 n SER 453 Ca 0.09 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.32 3i44 n SER 453 Cb 0.18 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3i44 n SER 453 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i44 n GLY 454 N 1.17 -0.44 0.03 0.23 0.00 -0.66 -0.88 105.19 104.64 3i44 n GLY 454 Ca 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3i44 n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i44 n ARG 455 N -0.45 1.24 -1.44 1.61 1.74 -1.12 -2.04 116.66 116.20 3i44 n ARG 455 Ca 0.00 -1.00 -0.37 0.00 -0.77 0.00 0.00 57.85 55.70 3i44 n ARG 455 Cb 0.00 -0.74 0.05 0.00 -1.02 0.00 0.00 32.46 30.75 3i44 n ARG 455 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i44 n ALA 456 N -0.25 -0.95 -3.59 7.54 0.00 -0.87 -4.79 120.51 117.59 3i44 n ALA 456 Ca 0.01 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 3i44 n ALA 456 Cb 0.42 -1.90 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 3i44 n ALA 456 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i44 s ARG 457 N -2.44 1.22 0.26 0.00 1.81 -1.26 -3.97 118.95 114.57 3i44 s ARG 457 Ca 0.70 -2.14 -0.09 0.00 -1.72 0.00 0.00 55.73 52.48 3i44 s ARG 457 Cb -0.41 -2.03 -0.07 0.00 -0.45 0.00 0.00 34.95 31.99 3i44 s ARG 457 CO 0.53 -1.26 0.57 -1.21 -0.68 0.00 0.00 175.30 173.25 3i44 s GLU 458 N 0.09 3.76 0.00 3.54 2.02 -0.65 -2.97 118.70 124.50 3i44 s GLU 458 Ca 0.24 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.46 3i44 s GLU 458 Cb -0.12 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.49 3i44 s GLU 458 CO -0.09 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.86 3i44 n GLY 459 N -0.43 1.52 7.00 -1.39 0.00 -1.26 -0.46 105.19 110.17 3i44 n GLY 459 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3i44 n GLY 459 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i44 n GLY 460 N 1.55 1.93 0.23 -0.02 0.00 -1.26 -1.39 105.19 106.24 3i44 n GLY 460 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 3i44 n GLY 460 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i44 h LEU 461 N 0.00 0.64 -0.73 0.99 3.38 -1.89 -2.57 115.31 115.13 3i44 h LEU 461 Ca 0.00 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3i44 h LEU 461 Cb 0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 3i44 h LEU 461 CO 0.00 0.97 0.41 -0.50 0.09 0.00 0.00 178.44 179.41 3i44 h TRP 462 N 0.50 0.75 -0.18 1.13 6.55 -1.80 -2.00 115.95 120.90 3i44 h TRP 462 Ca 0.04 0.03 -0.19 0.00 0.95 0.00 0.00 58.89 59.71 3i44 h TRP 462 Cb 0.91 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.99 3i44 h TRP 462 CO 0.04 0.34 -0.66 0.78 -1.05 0.00 0.00 178.44 177.88 3i44 h GLY 463 N 0.73 0.78 1.00 1.49 0.00 -0.85 -2.38 103.07 103.84 3i44 h GLY 463 Ca 0.34 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3i44 h GLY 463 CO -0.21 0.90 0.42 -2.22 0.00 0.00 0.00 176.54 175.42 3i44 h ILE 464 N 0.51 1.20 0.00 2.60 2.04 -1.25 -3.05 117.51 119.56 3i44 h ILE 464 Ca -0.02 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 3i44 h ILE 464 Cb 1.26 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3i44 h ILE 464 CO 0.13 0.21 -0.36 0.11 0.00 0.00 0.00 178.15 178.24 3i44 h LYS 465 N 0.95 0.00 -0.01 2.37 1.57 -1.05 -2.35 116.57 118.06 3i44 h LYS 465 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3i44 h LYS 465 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3i44 h LYS 465 CO -0.05 0.36 0.04 0.93 -0.57 0.00 0.00 179.45 180.16 3i44 h GLU 466 N 0.00 0.00 -0.67 3.15 5.08 -1.32 -2.04 114.58 118.78 3i44 h GLU 466 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i44 h GLU 466 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3i44 h GLU 466 CO 0.05 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.25 3i44 n PHE 467 N -3.32 1.33 -4.75 4.33 3.72 -0.88 -4.94 117.46 112.95 3i44 n PHE 467 Ca -0.03 -0.55 -0.27 0.00 -0.05 0.00 0.00 57.45 56.55 3i44 n PHE 467 Cb 0.11 -0.18 -0.14 0.00 -0.94 0.00 0.00 39.48 38.33 3i44 n PHE 467 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i44 s LEU 468 N -1.59 2.15 0.12 4.37 1.43 -0.77 -1.30 118.68 123.09 3i44 s LEU 468 Ca 0.49 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 3i44 s LEU 468 Cb 0.30 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 3i44 s LEU 468 CO 0.26 0.20 0.37 -1.81 0.23 0.00 0.00 176.35 175.60 3i44 s ASP 469 N -1.13 6.52 0.04 2.29 1.01 0.45 -4.79 116.67 121.05 3i44 s ASP 469 Ca 0.09 0.62 -0.07 0.00 0.71 0.00 0.00 52.55 53.89 3i44 s ASP 469 Cb -0.09 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 3i44 s ASP 469 CO 0.02 0.09 0.32 0.42 0.21 0.00 0.00 175.17 176.23 3i44 s THR 470 N -1.57 5.23 -0.06 -1.27 -4.23 -1.26 -0.51 115.64 111.96 3i44 s THR 470 Ca 0.38 0.25 -0.00 0.00 -1.18 0.00 0.00 61.69 61.14 3i44 s THR 470 Cb -0.13 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.14 3i44 s THR 470 CO 0.23 0.32 -0.02 -0.75 -0.54 0.00 0.00 174.62 173.86 3i44 s LYS 471 N -1.86 0.71 -0.34 3.99 2.20 0.34 -4.98 119.74 119.79 3i44 s LYS 471 Ca 0.30 0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.82 3i44 s LYS 471 Cb -0.13 -0.93 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 3i44 s LYS 471 CO 0.17 -0.22 0.20 0.00 -0.36 0.00 0.00 175.35 175.15 3i44 s ALA 472 N 1.55 3.36 -0.23 3.13 0.00 -1.26 -0.33 121.76 127.97 3i44 s ALA 472 Ca -0.01 -1.50 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 3i44 s ALA 472 Cb -0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3i44 s ALA 472 CO -0.03 -1.09 0.09 0.42 0.00 0.00 0.00 175.76 175.14 3i44 s ILE 473 N 1.63 4.67 -0.11 0.00 1.01 0.04 -5.00 121.20 123.44 3i44 s ILE 473 Ca 0.04 -0.06 0.26 0.00 0.00 0.00 0.00 60.65 60.89 3i44 s ILE 473 Cb -0.18 -3.16 0.31 0.00 0.01 0.00 0.00 42.46 39.44 3i44 s ILE 473 CO 0.08 0.36 1.76 0.77 0.00 0.00 0.00 174.94 177.91 3i44 h SER 474 N 7.71 0.00 -2.36 3.58 4.64 -1.90 -1.23 113.55 124.00 3i44 h SER 474 Ca -0.37 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.79 3i44 h SER 474 Cb 1.18 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.96 3i44 h SER 474 CO 0.62 0.10 -0.47 -0.47 -0.87 0.00 0.00 176.83 175.74 3i44 s TYR 475 N -3.43 -0.68 -1.20 4.77 5.04 -1.26 -3.80 117.35 116.80 3i44 s TYR 475 Ca 0.03 1.03 0.10 0.00 -2.44 0.00 0.00 57.07 55.79 3i44 s TYR 475 Cb 0.08 0.07 0.08 0.00 0.35 0.00 0.00 41.96 42.53 3i44 s TYR 475 CO 0.63 -0.55 0.80 1.87 -1.34 0.00 0.00 175.55 176.96