#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba1 s PRO 5 N 0.00 1.75 0.38 1.61 0.04 -1.26 -4.93 135.00 132.59 1ba1 s PRO 5 Ca 0.00 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 1ba1 s PRO 5 Cb 0.00 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 1ba1 s PRO 5 CO 0.00 -2.08 0.76 0.00 0.04 0.00 0.00 177.00 175.72 1ba1 s ALA 6 N -2.49 3.34 0.33 8.56 0.00 -1.26 -4.70 121.76 125.53 1ba1 s ALA 6 Ca 0.68 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.60 1ba1 s ALA 6 Cb -0.23 -2.73 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 1ba1 s ALA 6 CO 0.53 0.08 -0.08 0.14 0.00 0.00 0.00 175.76 176.42 1ba1 s VAL 7 N -2.27 2.45 -0.13 0.00 -7.23 -0.67 -4.54 120.40 108.01 1ba1 s VAL 7 Ca 0.52 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1ba1 s VAL 7 Cb -0.10 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1ba1 s VAL 7 CO 0.28 -0.24 -0.11 -0.83 -0.31 0.00 0.00 175.10 173.88 1ba1 s GLY 8 N -3.62 1.57 -0.10 2.32 0.00 0.01 -1.47 107.32 106.03 1ba1 s GLY 8 Ca 0.33 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1ba1 s GLY 8 CO 0.17 -0.17 -0.15 -0.42 0.00 0.00 0.00 173.10 172.53 1ba1 s ILE 9 N 0.34 1.45 -0.49 0.90 1.01 -0.21 -0.83 121.20 123.38 1ba1 s ILE 9 Ca -0.10 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1ba1 s ILE 9 Cb -0.16 -1.32 0.08 0.00 0.01 0.00 0.00 42.46 41.08 1ba1 s ILE 9 CO 0.05 0.43 0.43 -0.62 0.00 0.00 0.00 174.94 175.23 1ba1 s ASP 10 N 0.85 6.16 -1.02 3.58 2.15 -0.01 -2.31 116.67 126.07 1ba1 s ASP 10 Ca -0.10 -1.38 -0.17 0.00 0.43 0.00 0.00 52.55 51.33 1ba1 s ASP 10 Cb -0.15 -2.19 0.14 0.00 -0.30 0.00 0.00 42.92 40.41 1ba1 s ASP 10 CO 0.01 -0.70 1.23 -0.22 -0.17 0.00 0.00 175.17 175.33 1ba1 s LEU 11 N 1.70 5.01 0.66 -1.34 2.96 -1.26 -1.45 118.68 124.95 1ba1 s LEU 11 Ca 0.05 -2.33 -0.11 0.00 -0.22 0.00 0.00 54.13 51.52 1ba1 s LEU 11 Cb -0.25 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1ba1 s LEU 11 CO 0.06 -0.98 1.05 -0.83 -1.32 0.00 0.00 176.35 174.34 1ba1 s GLY 12 N 3.42 1.65 0.21 7.98 0.00 -1.05 -4.97 107.32 114.57 1ba1 s GLY 12 Ca 0.36 -0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 1ba1 s GLY 12 CO -0.06 0.20 1.79 -0.84 0.00 0.00 0.00 173.10 174.19 1ba1 h THR 13 N -0.50 1.25 0.00 0.90 2.02 -1.98 -3.37 112.91 111.24 1ba1 h THR 13 Ca -0.44 -0.75 -0.19 0.00 0.77 0.00 0.00 66.41 65.80 1ba1 h THR 13 Cb 1.21 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1ba1 h THR 13 CO 0.61 0.31 -1.71 0.35 0.37 0.00 0.00 175.52 175.45 1ba1 n THR 14 N -4.34 0.72 -4.17 3.16 -2.24 -1.26 -4.12 114.28 102.03 1ba1 n THR 14 Ca 0.07 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1ba1 n THR 14 Cb 0.16 -0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 67.34 1ba1 n THR 14 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ba1 s TYR 15 N -2.25 0.64 0.17 4.78 2.02 -1.26 -0.91 117.35 120.53 1ba1 s TYR 15 Ca -0.15 -0.25 0.08 0.00 -0.37 0.00 0.00 57.07 56.39 1ba1 s TYR 15 Cb 0.04 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1ba1 s TYR 15 CO 0.31 -0.03 -0.09 -1.12 -1.57 0.00 0.00 175.55 173.05 1ba1 s SER 16 N -0.68 4.32 0.03 2.29 0.01 0.13 -2.52 113.70 117.27 1ba1 s SER 16 Ca -0.02 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1ba1 s SER 16 Cb -0.05 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 1ba1 s SER 16 CO 0.00 0.11 0.00 -0.54 0.41 0.00 0.00 173.24 173.23 1ba1 s LYS 17 N -2.73 0.42 -0.02 12.44 3.01 -0.53 -0.34 119.74 131.99 1ba1 s LYS 17 Ca 0.24 -0.72 0.01 0.00 -1.01 0.00 0.00 55.97 54.50 1ba1 s LYS 17 Cb -0.09 0.15 0.01 0.00 -1.01 0.00 0.00 37.83 36.89 1ba1 s LYS 17 CO 0.15 -0.08 -0.04 0.54 0.51 0.00 0.00 175.35 176.43 1ba1 s VAL 18 N -2.07 0.43 0.15 3.17 0.11 -1.26 -0.83 120.40 120.10 1ba1 s VAL 18 Ca -0.10 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1ba1 s VAL 18 Cb -0.05 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1ba1 s VAL 18 CO -0.03 0.17 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.99 1ba1 s GLY 19 N 0.46 1.09 -0.03 6.54 0.00 -0.01 -1.18 107.32 114.18 1ba1 s GLY 19 Ca -0.05 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 1ba1 s GLY 19 CO -0.00 -1.59 0.07 0.54 0.00 0.00 0.00 173.10 172.12 1ba1 s VAL 20 N -3.36 -0.04 -0.27 1.40 0.11 0.03 -0.81 120.40 117.46 1ba1 s VAL 20 Ca 0.17 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.18 1ba1 s VAL 20 Cb 0.03 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1ba1 s VAL 20 CO 0.01 0.06 0.54 0.12 -3.33 0.00 0.00 175.10 172.49 1ba1 s PHE 21 N 0.79 3.26 -0.04 1.54 5.36 -1.26 -0.27 117.98 127.37 1ba1 s PHE 21 Ca -0.06 0.63 -0.03 0.00 -0.96 0.00 0.00 56.93 56.51 1ba1 s PHE 21 Cb -0.09 -2.76 0.01 0.00 -0.34 0.00 0.00 43.02 39.84 1ba1 s PHE 21 CO -0.03 -0.31 0.09 -0.65 -1.46 0.00 0.00 175.22 172.86 1ba1 s GLN 22 N 2.36 0.10 -1.47 10.12 -0.21 0.84 -4.91 119.66 126.49 1ba1 s GLN 22 Ca 0.22 0.14 -0.05 0.00 0.02 0.00 0.00 55.36 55.69 1ba1 s GLN 22 Cb -0.16 0.02 0.04 0.00 1.00 0.00 0.00 33.01 33.92 1ba1 s GLN 22 CO 0.09 -0.03 0.58 0.72 -2.12 0.00 0.00 175.29 174.53 1ba1 n HIS 23 N 3.16 -1.76 -1.00 0.91 8.25 -1.26 -0.81 115.22 122.70 1ba1 n HIS 23 Ca -0.14 0.78 -0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1ba1 n HIS 23 Cb 0.58 -3.67 -0.00 0.00 1.12 0.00 0.00 29.99 28.03 1ba1 n HIS 23 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ba1 n GLY 24 N -1.80 0.25 3.10 -1.41 0.00 -1.26 -4.99 105.19 99.07 1ba1 n GLY 24 Ca -0.20 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1ba1 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba1 s LYS 25 N -1.08 0.62 -0.15 1.61 1.02 0.01 -5.14 119.74 116.63 1ba1 s LYS 25 Ca 0.00 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 1ba1 s LYS 25 Cb 0.00 -0.43 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 1ba1 s LYS 25 CO 0.00 0.08 0.21 0.08 -0.92 0.00 0.00 175.35 174.80 1ba1 s VAL 26 N -1.47 5.37 -0.22 3.17 1.01 -1.26 -0.11 120.40 126.90 1ba1 s VAL 26 Ca -0.07 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1ba1 s VAL 26 Cb -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1ba1 s VAL 26 CO 0.01 0.49 -0.09 -0.70 0.00 0.00 0.00 175.10 174.81 1ba1 s GLU 27 N -0.16 3.18 -0.46 2.72 2.56 0.63 -4.95 118.70 122.23 1ba1 s GLU 27 Ca 0.14 -0.74 -0.22 0.00 0.00 0.00 0.00 54.97 54.15 1ba1 s GLU 27 Cb -0.12 -2.89 0.03 0.00 2.00 0.00 0.00 34.13 33.14 1ba1 s GLU 27 CO 0.03 -0.24 0.76 0.42 -0.56 0.00 0.00 175.26 175.67 1ba1 s ILE 28 N 1.41 4.68 0.03 -3.70 -1.09 -1.26 -0.79 121.20 120.47 1ba1 s ILE 28 Ca 0.05 0.30 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 1ba1 s ILE 28 Cb -0.14 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.37 1ba1 s ILE 28 CO -0.06 -0.73 1.22 -0.63 -1.23 0.00 0.00 174.94 173.51 1ba1 s ILE 29 N 3.21 4.04 0.25 2.92 1.01 -0.32 -4.97 121.20 127.33 1ba1 s ILE 29 Ca 0.28 1.44 -0.21 0.00 0.00 0.00 0.00 60.65 62.15 1ba1 s ILE 29 Cb -0.13 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 1ba1 s ILE 29 CO 0.21 0.08 0.78 0.00 0.00 0.00 0.00 174.94 176.01 1ba1 s ALA 30 N 1.44 3.36 0.88 9.38 0.00 -1.26 -4.61 121.76 130.95 1ba1 s ALA 30 Ca 0.59 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.74 1ba1 s ALA 30 Cb -0.29 -2.91 0.11 0.00 0.00 0.00 0.00 23.12 20.03 1ba1 s ALA 30 CO 0.27 0.29 0.68 0.27 0.00 0.00 0.00 175.76 177.27 1ba1 n ASN 31 N 0.68 0.26 0.03 0.00 0.23 0.12 -4.83 115.26 111.75 1ba1 n ASN 31 Ca -0.01 -1.37 0.21 0.00 -0.53 0.00 0.00 54.58 52.88 1ba1 n ASN 31 Cb 0.51 -0.50 0.73 0.00 -2.08 0.00 0.00 39.78 38.44 1ba1 n ASN 31 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ba1 h ASP 32 N -0.78 0.00 -0.25 0.53 5.19 -1.96 0.21 116.42 119.37 1ba1 h ASP 32 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1ba1 h ASP 32 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1ba1 h ASP 32 CO 0.18 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.30 1ba1 n GLN 33 N -3.93 2.06 -0.95 3.56 3.00 -1.26 -4.92 117.38 114.93 1ba1 n GLN 33 Ca 0.09 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 1ba1 n GLN 33 Cb 0.66 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1ba1 n GLN 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ba1 n GLY 34 N 1.28 0.50 3.72 1.08 0.00 0.75 -5.03 105.19 107.49 1ba1 n GLY 34 Ca 0.17 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1ba1 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ba1 s ASN 35 N -2.27 6.52 0.00 1.61 0.01 -1.26 -4.70 114.94 114.86 1ba1 s ASN 35 Ca 0.00 0.62 0.24 0.00 -0.71 0.00 0.00 52.86 53.01 1ba1 s ASN 35 Cb 0.00 -2.23 1.15 0.00 0.41 0.00 0.00 41.25 40.58 1ba1 s ASN 35 CO 0.00 0.03 1.80 0.54 -1.51 0.00 0.00 177.10 177.96 1ba1 n ARG 36 N 3.76 0.21 -4.21 -0.60 1.74 -1.26 -0.71 116.66 115.59 1ba1 n ARG 36 Ca -0.10 0.07 -0.18 0.00 -0.77 0.00 0.00 57.85 56.88 1ba1 n ARG 36 Cb 0.52 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.34 1ba1 n ARG 36 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ba1 s THR 37 N -2.74 1.20 -0.07 0.55 -4.23 -1.26 -4.65 115.64 104.44 1ba1 s THR 37 Ca 0.19 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1ba1 s THR 37 Cb 0.16 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.67 1ba1 s THR 37 CO 0.40 -0.37 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.17 1ba1 s THR 38 N -1.89 0.70 0.19 3.99 2.01 0.54 -4.90 115.64 116.28 1ba1 s THR 38 Ca 0.05 -0.15 -0.33 0.00 0.31 0.00 0.00 61.69 61.57 1ba1 s THR 38 Cb -0.06 -0.74 -0.14 0.00 0.01 0.00 0.00 72.50 71.57 1ba1 s THR 38 CO 0.02 0.29 1.39 -2.65 -0.69 0.00 0.00 174.62 172.98 1ba1 n PRO 39 N 4.51 1.79 -1.54 4.92 -0.02 -1.26 0.18 135.00 143.58 1ba1 n PRO 39 Ca -0.17 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 1ba1 n PRO 39 Cb 0.51 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1ba1 n PRO 39 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ba1 n SER 40 N 2.47 8.19 -4.31 2.55 7.64 -0.09 -3.76 113.62 126.31 1ba1 n SER 40 Ca 0.14 -2.75 -0.26 0.00 1.01 0.00 0.00 58.87 57.01 1ba1 n SER 40 Cb 0.28 -1.51 -0.13 0.00 -1.01 0.00 0.00 64.21 61.83 1ba1 n SER 40 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ba1 s TYR 41 N 1.34 2.00 -0.04 1.43 1.51 -1.26 -4.37 117.35 117.96 1ba1 s TYR 41 Ca 0.64 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 56.29 1ba1 s TYR 41 Cb 0.18 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1ba1 s TYR 41 CO -0.07 0.21 0.08 0.08 -1.11 0.00 0.00 175.55 174.74 1ba1 s VAL 42 N -1.01 -0.08 0.11 0.71 1.01 -0.67 -1.00 120.40 119.47 1ba1 s VAL 42 Ca 0.09 0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.41 1ba1 s VAL 42 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1ba1 s VAL 42 CO 0.04 0.10 -0.25 0.00 0.00 0.00 0.00 175.10 174.98 1ba1 s ALA 43 N 1.31 2.23 -0.06 5.51 0.00 0.60 -0.24 121.76 131.11 1ba1 s ALA 43 Ca -0.07 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.54 1ba1 s ALA 43 Cb -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1ba1 s ALA 43 CO -0.04 0.50 -0.17 -0.06 0.00 0.00 0.00 175.76 175.98 1ba1 s PHE 44 N -1.05 1.81 0.09 0.00 0.40 -0.57 -0.38 117.98 118.29 1ba1 s PHE 44 Ca 0.12 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1ba1 s PHE 44 Cb -0.10 -1.24 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 1ba1 s PHE 44 CO 0.05 -0.23 0.02 0.25 0.70 0.00 0.00 175.22 176.01 1ba1 n THR 45 N 3.35 0.00 0.29 0.64 -2.24 -0.23 -4.77 114.28 111.33 1ba1 n THR 45 Ca -0.19 -0.48 0.18 0.00 -2.27 0.00 0.00 64.05 61.29 1ba1 n THR 45 Cb 0.53 0.16 0.87 0.00 -2.10 0.00 0.00 70.33 69.79 1ba1 n THR 45 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ba1 h ASP 46 N 0.31 0.00 0.00 3.42 3.32 -1.94 -0.56 116.42 120.97 1ba1 h ASP 46 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ba1 h ASP 46 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1ba1 h ASP 46 CO 0.11 0.03 -0.20 0.35 -1.72 0.00 0.00 179.24 177.82 1ba1 n THR 47 N -3.20 0.00 -3.97 0.35 -2.24 -1.26 -3.73 114.28 100.22 1ba1 n THR 47 Ca -0.01 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1ba1 n THR 47 Cb 0.22 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.02 1ba1 n THR 47 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ba1 s GLU 48 N -0.62 1.34 -0.19 -0.78 2.02 -1.26 -5.00 118.70 114.21 1ba1 s GLU 48 Ca 0.00 -1.20 -0.01 0.00 0.02 0.00 0.00 54.97 53.77 1ba1 s GLU 48 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1ba1 s GLU 48 CO 0.00 -0.52 -0.11 0.50 0.02 0.00 0.00 175.26 175.14 1ba1 s ARG 49 N -3.99 3.23 0.01 1.61 3.52 -1.26 -1.06 118.95 121.00 1ba1 s ARG 49 Ca 0.20 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 1ba1 s ARG 49 Cb 0.02 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1ba1 s ARG 49 CO 0.04 -0.14 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.84 1ba1 s LEU 50 N 1.25 3.30 0.03 -0.88 1.43 0.49 -4.95 118.68 119.35 1ba1 s LEU 50 Ca 0.03 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1ba1 s LEU 50 Cb -0.14 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1ba1 s LEU 50 CO -0.05 0.28 -0.10 -0.63 0.23 0.00 0.00 176.35 176.08 1ba1 s ILE 51 N -1.04 0.74 0.00 -0.59 1.09 -1.26 -0.29 121.20 119.84 1ba1 s ILE 51 Ca 0.18 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 1ba1 s ILE 51 Cb -0.11 -0.71 0.00 0.00 -1.06 0.00 0.00 42.46 40.58 1ba1 s ILE 51 CO 0.09 -0.11 0.00 0.61 -0.10 0.00 0.00 174.94 175.43 1ba1 n GLY 52 N 2.00 1.78 0.22 6.18 0.00 -0.17 -3.43 105.19 111.77 1ba1 n GLY 52 Ca -0.18 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.34 1ba1 n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ba1 h ASP 53 N 2.91 0.00 -0.75 1.61 3.32 -1.90 -0.81 116.42 120.80 1ba1 h ASP 53 Ca 0.00 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.24 1ba1 h ASP 53 Cb 0.00 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1ba1 h ASP 53 CO 0.00 0.02 0.49 0.00 -1.72 0.00 0.00 179.24 178.03 1ba1 h ALA 54 N 1.46 1.76 0.06 3.45 0.00 -1.95 0.30 119.26 124.33 1ba1 h ALA 54 Ca 0.30 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1ba1 h ALA 54 Cb 0.43 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ba1 h ALA 54 CO -0.38 0.10 -0.61 0.00 0.00 0.00 0.00 179.25 178.35 1ba1 h ALA 55 N 1.61 -0.00 -0.17 0.00 0.00 -1.38 -3.31 119.26 116.01 1ba1 h ALA 55 Ca 0.34 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1ba1 h ALA 55 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ba1 h ALA 55 CO -0.12 0.31 -0.27 -0.22 0.00 0.00 0.00 179.25 178.95 1ba1 h LYS 56 N -0.31 0.31 0.00 0.00 3.64 -0.89 -2.59 116.57 116.73 1ba1 h LYS 56 Ca -0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ba1 h LYS 56 Cb 1.39 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1ba1 h LYS 56 CO 0.12 0.57 0.00 0.09 -2.27 0.00 0.00 179.45 177.96 1ba1 n ASN 57 N -4.13 0.00 -0.03 4.20 3.02 0.07 -2.28 115.26 116.11 1ba1 n ASN 57 Ca -0.01 0.48 0.01 0.00 -0.03 0.00 0.00 54.58 55.03 1ba1 n ASN 57 Cb 0.39 -0.49 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1ba1 n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ba1 n GLN 58 N -1.49 1.99 -0.27 3.52 -0.00 -1.00 -4.79 117.38 115.34 1ba1 n GLN 58 Ca 0.02 -1.40 0.04 0.00 -0.00 0.00 0.00 57.00 55.66 1ba1 n GLN 58 Cb 0.10 -0.93 0.26 0.00 -0.00 0.00 0.00 30.24 29.67 1ba1 n GLN 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1ba1 h VAL 59 N 0.98 1.08 0.00 -0.39 3.04 -1.25 -2.02 116.25 117.69 1ba1 h VAL 59 Ca 0.00 -0.34 -0.01 0.00 -1.01 0.00 0.00 66.70 65.34 1ba1 h VAL 59 Cb 0.72 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1ba1 h VAL 59 CO 0.00 0.18 -0.03 0.00 -1.01 0.00 0.00 177.57 176.71 1ba1 h ALA 60 N 1.52 1.83 0.00 3.17 0.00 -1.87 -2.16 119.26 121.76 1ba1 h ALA 60 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ba1 h ALA 60 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ba1 h ALA 60 CO -0.13 0.04 -0.90 0.00 0.00 0.00 0.00 179.25 178.26 1ba1 n MET 61 N -4.32 1.49 -2.92 0.00 -0.00 -0.87 -4.46 117.12 106.04 1ba1 n MET 61 Ca -0.03 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.70 57.48 1ba1 n MET 61 Cb 0.11 -1.28 -0.01 0.00 -0.00 0.00 0.00 33.22 32.04 1ba1 n MET 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1ba1 n ASN 62 N -1.48 1.78 0.12 3.17 5.15 -0.81 -4.96 115.26 118.23 1ba1 n ASN 62 Ca 0.02 -3.04 0.04 0.00 -0.60 0.00 0.00 54.58 51.00 1ba1 n ASN 62 Cb 0.28 -0.57 0.46 0.00 -0.53 0.00 0.00 39.78 39.42 1ba1 n ASN 62 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ba1 h PRO 63 N 2.96 0.27 0.00 1.20 0.13 -1.66 -2.50 132.00 132.40 1ba1 h PRO 63 Ca 0.05 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.04 1ba1 h PRO 63 Cb 0.98 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1ba1 h PRO 63 CO 0.57 0.28 -0.49 0.00 -0.23 0.00 0.00 178.00 178.13 1ba1 h THR 64 N 0.27 0.99 -0.22 1.56 1.03 -1.89 -3.27 112.91 111.37 1ba1 h THR 64 Ca 0.07 -1.95 0.00 0.00 -0.01 0.00 0.00 66.41 64.51 1ba1 h THR 64 Cb 0.16 2.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 1ba1 h THR 64 CO 0.00 0.48 0.00 0.59 -0.01 0.00 0.00 175.52 176.58 1ba1 n ASN 65 N -3.44 3.17 -4.30 0.00 3.02 -1.09 -4.37 115.26 108.25 1ba1 n ASN 65 Ca 0.00 -2.60 -0.38 0.00 -0.03 0.00 0.00 54.58 51.57 1ba1 n ASN 65 Cb 0.63 -0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 39.30 1ba1 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ba1 s THR 66 N -2.07 3.92 -0.03 3.41 2.01 -0.96 -1.51 115.64 120.41 1ba1 s THR 66 Ca 0.30 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 1ba1 s THR 66 Cb 0.23 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1ba1 s THR 66 CO 0.09 -0.12 0.36 -0.69 -0.69 0.00 0.00 174.62 173.57 1ba1 s VAL 67 N 1.44 5.13 0.31 3.82 1.01 0.66 -4.77 120.40 128.01 1ba1 s VAL 67 Ca -0.00 0.72 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1ba1 s VAL 67 Cb -0.19 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1ba1 s VAL 67 CO 0.03 0.57 0.54 0.72 0.00 0.00 0.00 175.10 176.97 1ba1 s PHE 68 N -0.96 0.56 -1.80 5.22 -0.71 -1.26 -1.68 117.98 117.36 1ba1 s PHE 68 Ca 0.22 -0.94 0.00 0.00 -1.04 0.00 0.00 56.93 55.17 1ba1 s PHE 68 Cb -0.16 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.88 1ba1 s PHE 68 CO 0.11 -1.17 0.00 -0.25 -1.34 0.00 0.00 175.22 172.58 1ba1 n ASP 69 N -0.96 -5.20 0.27 1.98 9.92 -1.26 -4.86 116.55 116.43 1ba1 n ASP 69 Ca -0.02 0.30 0.11 0.00 -0.53 0.00 0.00 54.79 54.65 1ba1 n ASP 69 Cb 0.61 -4.28 0.74 0.00 -0.64 0.00 0.00 41.12 37.55 1ba1 n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ba1 h ALA 70 N 0.27 1.77 0.00 2.24 0.00 -1.87 -0.93 119.26 120.75 1ba1 h ALA 70 Ca -0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ba1 h ALA 70 Cb 1.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ba1 h ALA 70 CO 0.53 0.02 -0.06 -0.22 0.00 0.00 0.00 179.25 179.53 1ba1 h LYS 71 N 0.00 0.00 0.00 0.00 3.64 -1.89 -0.32 116.57 118.00 1ba1 h LYS 71 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ba1 h LYS 71 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1ba1 h LYS 71 CO 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 179.45 177.24 1ba1 h ARG 72 N 0.00 0.00 0.00 1.90 3.08 -1.55 -3.30 114.38 114.50 1ba1 h ARG 72 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1ba1 h ARG 72 Cb 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1ba1 h ARG 72 CO 0.01 0.00 -1.99 1.28 -1.07 0.00 0.00 179.97 178.20 1ba1 n LEU 73 N -2.89 0.00 -4.68 3.04 4.77 -0.49 -4.86 117.00 111.89 1ba1 n LEU 73 Ca 0.04 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.51 1ba1 n LEU 73 Cb 0.46 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 1ba1 n LEU 73 CO 0.32 0.27 1.33 0.00 -1.33 0.00 0.00 177.39 177.98 1ba1 n ILE 74 N -2.44 0.34 -0.97 -0.08 3.06 -0.25 -1.46 119.36 117.56 1ba1 n ILE 74 Ca -0.19 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.00 1ba1 n ILE 74 Cb 0.84 -1.50 0.00 0.00 0.54 0.00 0.00 39.64 39.52 1ba1 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ba1 n GLY 75 N 3.97 0.79 3.99 4.50 0.00 -1.26 -4.58 105.19 112.60 1ba1 n GLY 75 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1ba1 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba1 s ARG 76 N -0.10 3.06 0.11 1.61 0.52 -0.53 -4.20 118.95 119.41 1ba1 s ARG 76 Ca 0.00 -1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 54.13 1ba1 s ARG 76 Cb 0.00 -2.81 -0.05 0.00 0.52 0.00 0.00 34.95 32.62 1ba1 s ARG 76 CO 0.00 -0.00 0.29 -0.98 0.02 0.00 0.00 175.30 174.63 1ba1 s ARG 77 N -4.21 3.51 0.23 3.54 1.04 -1.26 -4.40 118.95 117.40 1ba1 s ARG 77 Ca 0.47 -0.32 -0.06 0.00 -1.04 0.00 0.00 55.73 54.78 1ba1 s ARG 77 Cb -0.10 -2.94 0.32 0.00 -2.04 0.00 0.00 34.95 30.19 1ba1 s ARG 77 CO 0.31 0.53 1.83 0.35 -0.04 0.00 0.00 175.30 178.29 1ba1 h PHE 78 N 2.78 0.89 0.00 5.89 3.57 -1.15 -2.06 116.94 126.87 1ba1 h PHE 78 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1ba1 h PHE 78 Cb 1.17 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1ba1 h PHE 78 CO 0.60 0.43 0.00 -0.25 -2.23 0.00 0.00 178.31 176.86 1ba1 n ASP 79 N -4.68 0.00 -4.77 0.41 8.00 -1.26 -4.36 116.55 109.89 1ba1 n ASP 79 Ca 0.12 -0.61 -0.41 0.00 0.71 0.00 0.00 54.79 54.59 1ba1 n ASP 79 Cb 0.19 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 1ba1 n ASP 79 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ba1 s ASP 80 N -2.06 6.43 0.20 -2.24 1.01 -0.77 -4.87 116.67 114.36 1ba1 s ASP 80 Ca 0.32 2.94 -0.11 0.00 0.71 0.00 0.00 52.55 56.41 1ba1 s ASP 80 Cb 0.15 -2.65 0.23 0.00 1.01 0.00 0.00 42.92 41.66 1ba1 s ASP 80 CO 0.26 -0.83 1.75 0.00 0.21 0.00 0.00 175.17 176.56 1ba1 h ALA 81 N 3.80 0.72 -0.51 5.23 0.00 -1.90 -1.06 119.26 125.54 1ba1 h ALA 81 Ca -0.49 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1ba1 h ALA 81 Cb 1.23 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1ba1 h ALA 81 CO 0.70 -0.18 0.11 -0.39 0.00 0.00 0.00 179.25 179.49 1ba1 h VAL 82 N 0.41 1.22 -0.09 0.00 -1.51 -1.96 0.36 116.25 114.67 1ba1 h VAL 82 Ca 0.28 -0.79 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 1ba1 h VAL 82 Cb 0.31 0.71 -0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1ba1 h VAL 82 CO -0.27 0.29 0.02 0.58 -1.23 0.00 0.00 177.57 176.96 1ba1 h VAL 83 N 0.74 1.19 -0.60 7.19 2.07 -1.66 0.11 116.25 125.31 1ba1 h VAL 83 Ca 0.16 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ba1 h VAL 83 Cb 0.29 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1ba1 h VAL 83 CO -0.00 0.17 0.38 1.56 0.02 0.00 0.00 177.57 179.70 1ba1 h GLN 84 N -0.06 0.79 -0.04 1.57 1.08 -0.81 -0.95 115.11 116.69 1ba1 h GLN 84 Ca 0.03 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1ba1 h GLN 84 Cb 0.25 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1ba1 h GLN 84 CO 0.00 0.54 -0.09 0.77 -0.95 0.00 0.00 178.83 179.10 1ba1 h SER 85 N 0.81 0.16 -0.97 1.46 0.02 -0.64 -3.27 113.55 111.12 1ba1 h SER 85 Ca 0.22 -0.57 0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1ba1 h SER 85 Cb -0.06 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 1ba1 h SER 85 CO -0.04 0.70 0.63 0.44 -1.14 0.00 0.00 176.83 177.41 1ba1 h ASP 86 N -0.38 1.03 -0.86 3.07 3.32 -0.35 -2.48 116.42 119.77 1ba1 h ASP 86 Ca 0.00 -0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.24 1ba1 h ASP 86 Cb 0.67 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 1ba1 h ASP 86 CO 0.02 0.69 0.57 0.24 -1.72 0.00 0.00 179.24 179.04 1ba1 h MET 87 N 1.19 0.36 0.00 3.56 2.86 -1.23 0.09 114.93 121.75 1ba1 h MET 87 Ca 0.40 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1ba1 h MET 87 Cb 0.07 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1ba1 h MET 87 CO -0.14 0.24 0.00 1.63 1.06 0.00 0.00 176.91 179.69 1ba1 n LYS 88 N -4.48 0.01 0.00 1.72 5.02 -0.93 -2.75 118.16 116.75 1ba1 n LYS 88 Ca 0.18 0.31 0.03 0.00 -2.02 0.00 0.00 58.31 56.80 1ba1 n LYS 88 Cb 0.68 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1ba1 n LYS 88 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ba1 n HIS 89 N -1.49 0.00 -3.32 2.13 8.25 0.01 -5.01 115.22 115.79 1ba1 n HIS 89 Ca 0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1ba1 n HIS 89 Cb 0.13 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 1ba1 n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ba1 s TRP 90 N -1.47 3.76 -0.87 4.41 0.51 -1.11 -4.97 118.94 119.21 1ba1 s TRP 90 Ca 0.03 1.19 0.28 0.00 -2.12 0.00 0.00 56.10 55.47 1ba1 s TRP 90 Cb 0.05 -2.47 1.01 0.00 -0.81 0.00 0.00 33.47 31.25 1ba1 s TRP 90 CO 0.23 0.55 1.84 -0.35 -0.51 0.00 0.00 176.95 178.72 1ba1 n PRO 91 N 1.95 0.13 -3.81 4.98 -0.04 -1.26 -4.82 135.00 132.13 1ba1 n PRO 91 Ca -0.11 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1ba1 n PRO 91 Cb 0.51 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 1ba1 n PRO 91 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ba1 s PHE 92 N -3.05 3.47 0.16 0.54 -0.12 -1.26 -4.33 117.98 113.39 1ba1 s PHE 92 Ca 0.12 0.15 -0.22 0.00 -0.05 0.00 0.00 56.93 56.93 1ba1 s PHE 92 Cb 0.16 -1.71 -0.08 0.00 -0.63 0.00 0.00 43.02 40.76 1ba1 s PHE 92 CO 0.57 0.39 0.71 1.41 -0.05 0.00 0.00 175.22 178.25 1ba1 s MET 93 N -3.71 4.39 -0.13 1.99 -2.45 -1.25 -4.99 119.30 113.14 1ba1 s MET 93 Ca 0.36 0.97 0.01 0.00 -1.25 0.00 0.00 55.69 55.79 1ba1 s MET 93 Cb -0.10 -3.15 0.02 0.00 1.25 0.00 0.00 34.83 32.85 1ba1 s MET 93 CO 0.30 0.54 -0.17 0.08 1.05 0.00 0.00 175.02 176.82 1ba1 s VAL 94 N -1.25 1.67 0.37 10.11 1.01 -1.26 -0.81 120.40 130.24 1ba1 s VAL 94 Ca 0.36 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1ba1 s VAL 94 Cb -0.20 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1ba1 s VAL 94 CO 0.23 0.48 0.12 0.68 0.00 0.00 0.00 175.10 176.60 1ba1 s VAL 95 N 1.13 2.62 -0.30 2.92 -7.23 0.71 -4.93 120.40 115.32 1ba1 s VAL 95 Ca -0.02 -1.78 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 1ba1 s VAL 95 Cb -0.14 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 1ba1 s VAL 95 CO -0.05 -0.12 0.15 0.21 -0.31 0.00 0.00 175.10 174.99 1ba1 s ASN 96 N -3.83 5.59 -0.51 4.85 2.47 -1.26 -1.44 114.94 120.80 1ba1 s ASN 96 Ca 0.38 -0.44 -0.01 0.00 0.42 0.00 0.00 52.86 53.21 1ba1 s ASN 96 Cb 0.01 -2.02 0.13 0.00 -1.45 0.00 0.00 41.25 37.93 1ba1 s ASN 96 CO 0.22 -0.17 0.29 -0.62 -3.72 0.00 0.00 177.10 173.10 1ba1 s ASP 97 N 1.63 5.01 -1.46 -4.21 -1.08 0.87 -4.73 116.67 112.71 1ba1 s ASP 97 Ca 0.05 -2.58 -0.09 0.00 -0.52 0.00 0.00 52.55 49.42 1ba1 s ASP 97 Cb -0.17 -1.78 0.04 0.00 -1.46 0.00 0.00 42.92 39.55 1ba1 s ASP 97 CO 0.07 -0.39 0.84 0.00 0.52 0.00 0.00 175.17 176.20 1ba1 n ALA 98 N 3.81 -1.15 -0.03 3.66 0.00 -1.26 -1.26 120.51 124.28 1ba1 n ALA 98 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1ba1 n ALA 98 Cb 0.38 -4.32 0.00 0.00 0.00 0.00 0.00 19.45 15.51 1ba1 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba1 n GLY 99 N -1.65 1.02 3.65 0.00 0.00 -1.26 -5.04 105.19 101.91 1ba1 n GLY 99 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1ba1 n GLY 99 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ba1 s ARG 100 N -0.65 3.64 0.40 1.61 3.03 -0.39 -0.59 118.95 126.00 1ba1 s ARG 100 Ca 0.00 -0.36 -0.24 0.00 2.03 0.00 0.00 55.73 57.16 1ba1 s ARG 100 Cb 0.00 -3.07 -0.09 0.00 -1.03 0.00 0.00 34.95 30.76 1ba1 s ARG 100 CO 0.00 0.42 1.04 -1.25 -1.13 0.00 0.00 175.30 174.39 1ba1 s PRO 101 N -0.08 4.15 -0.03 3.89 0.04 -1.26 -0.09 135.00 141.62 1ba1 s PRO 101 Ca 0.06 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 1ba1 s PRO 101 Cb -0.12 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.92 1ba1 s PRO 101 CO 0.01 -0.15 0.11 0.15 0.04 0.00 0.00 177.00 177.16 1ba1 s LYS 102 N -2.55 0.17 -0.00 4.56 1.02 -0.52 -4.33 119.74 118.08 1ba1 s LYS 102 Ca 0.58 0.06 -0.21 0.00 0.02 0.00 0.00 55.97 56.42 1ba1 s LYS 102 Cb -0.21 0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1ba1 s LYS 102 CO 0.27 -0.03 0.63 0.14 -0.92 0.00 0.00 175.35 175.44 1ba1 s VAL 103 N -0.16 4.89 -0.15 3.17 -7.23 -0.24 -0.21 120.40 120.46 1ba1 s VAL 103 Ca -0.02 1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 61.44 1ba1 s VAL 103 Cb -0.02 -3.97 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 1ba1 s VAL 103 CO 0.00 0.40 -0.06 -1.58 -0.31 0.00 0.00 175.10 173.55 1ba1 s GLN 104 N -0.10 3.57 0.25 4.82 0.74 0.01 -0.94 119.66 128.01 1ba1 s GLN 104 Ca 0.33 -0.57 0.02 0.00 0.05 0.00 0.00 55.36 55.19 1ba1 s GLN 104 Cb -0.19 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 1ba1 s GLN 104 CO 0.18 0.20 0.19 0.14 -0.55 0.00 0.00 175.29 175.45 1ba1 s VAL 105 N 0.46 0.01 -0.14 1.34 -7.23 0.72 -3.85 120.40 111.70 1ba1 s VAL 105 Ca -0.05 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1ba1 s VAL 105 Cb -0.15 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1ba1 s VAL 105 CO 0.03 0.00 0.02 -1.61 -0.31 0.00 0.00 175.10 173.23 1ba1 s GLU 106 N -3.87 3.56 -0.08 4.82 0.41 -1.26 -0.19 118.70 122.10 1ba1 s GLU 106 Ca 0.40 -0.40 -0.03 0.00 -0.41 0.00 0.00 54.97 54.53 1ba1 s GLU 106 Cb 0.05 -3.00 0.04 0.00 -1.78 0.00 0.00 34.13 29.44 1ba1 s GLU 106 CO 0.18 0.43 0.15 -0.47 -0.49 0.00 0.00 175.26 175.06 1ba1 s TYR 107 N -0.10 -0.16 -1.43 1.61 5.04 0.05 -4.29 117.35 118.08 1ba1 s TYR 107 Ca 0.05 0.56 -0.08 0.00 -2.44 0.00 0.00 57.07 55.16 1ba1 s TYR 107 Cb -0.12 -0.25 0.05 0.00 0.35 0.00 0.00 41.96 41.98 1ba1 s TYR 107 CO 0.02 -0.25 0.88 1.63 -1.34 0.00 0.00 175.55 176.49 1ba1 n LYS 108 N 5.15 -5.45 -0.86 4.97 5.02 -0.22 -1.58 118.16 125.20 1ba1 n LYS 108 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1ba1 n LYS 108 Cb 0.50 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.12 1ba1 n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ba1 n GLY 109 N -1.66 0.54 3.33 0.72 0.00 -1.26 -4.99 105.19 101.86 1ba1 n GLY 109 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1ba1 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ba1 s GLU 110 N -0.48 1.82 0.08 1.61 0.41 -0.61 -5.11 118.70 116.41 1ba1 s GLU 110 Ca 0.00 -1.08 -0.30 0.00 -0.41 0.00 0.00 54.97 53.18 1ba1 s GLU 110 Cb 0.00 -1.96 -0.05 0.00 -1.78 0.00 0.00 34.13 30.34 1ba1 s GLU 110 CO 0.00 0.51 1.06 0.99 -0.49 0.00 0.00 175.26 177.33 1ba1 s THR 111 N -0.78 4.34 0.04 3.63 2.01 -1.26 -0.77 115.64 122.86 1ba1 s THR 111 Ca 0.11 1.80 -0.01 0.00 0.31 0.00 0.00 61.69 63.90 1ba1 s THR 111 Cb -0.10 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1ba1 s THR 111 CO 0.02 0.20 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.59 1ba1 s LYS 112 N 0.52 0.52 0.04 4.92 1.02 0.73 -4.96 119.74 122.54 1ba1 s LYS 112 Ca 0.52 -1.00 0.04 0.00 0.02 0.00 0.00 55.97 55.56 1ba1 s LYS 112 Cb -0.26 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.22 1ba1 s LYS 112 CO 0.30 -0.10 -0.12 -1.54 -0.92 0.00 0.00 175.35 172.97 1ba1 s SER 113 N -2.43 1.46 0.00 2.83 1.04 -1.26 -0.20 113.70 115.15 1ba1 s SER 113 Ca -0.01 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1ba1 s SER 113 Cb 0.02 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1ba1 s SER 113 CO -0.07 -0.03 -0.09 -0.36 0.98 0.00 0.00 173.24 173.68 1ba1 s PHE 114 N -0.97 0.77 0.59 5.02 0.08 -0.12 -4.94 117.98 118.42 1ba1 s PHE 114 Ca -0.01 -0.19 -0.17 0.00 0.12 0.00 0.00 56.93 56.69 1ba1 s PHE 114 Cb -0.08 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 1ba1 s PHE 114 CO 0.01 -0.01 1.07 0.71 -0.10 0.00 0.00 175.22 176.90 1ba1 s TYR 115 N -0.35 2.88 0.31 0.36 2.02 -1.26 -1.08 117.35 120.22 1ba1 s TYR 115 Ca 0.02 1.53 0.06 0.00 -0.37 0.00 0.00 57.07 58.31 1ba1 s TYR 115 Cb -0.04 -3.08 0.72 0.00 -0.40 0.00 0.00 41.96 39.16 1ba1 s TYR 115 CO -0.00 -1.25 1.80 -1.35 -1.57 0.00 0.00 175.55 173.18 1ba1 h PRO 116 N 0.57 0.78 0.00 -1.71 0.11 -1.91 0.11 132.00 129.94 1ba1 h PRO 116 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1ba1 h PRO 116 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ba1 h PRO 116 CO 0.57 0.51 -0.16 1.05 -0.21 0.00 0.00 178.00 179.76 1ba1 h GLU 117 N 0.80 0.00 -0.06 1.05 9.09 -1.91 0.16 114.58 123.71 1ba1 h GLU 117 Ca 0.55 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.78 1ba1 h GLU 117 Cb 0.81 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.92 1ba1 h GLU 117 CO -0.33 0.16 -0.64 0.93 0.05 0.00 0.00 179.01 179.18 1ba1 h GLU 118 N 0.00 0.54 -0.36 1.06 5.08 -1.15 0.73 114.58 120.48 1ba1 h GLU 118 Ca -0.00 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1ba1 h GLU 118 Cb 0.42 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1ba1 h GLU 118 CO 0.02 1.13 0.18 0.28 -1.00 0.00 0.00 179.01 179.62 1ba1 h VAL 119 N 0.13 1.16 -0.03 3.13 2.07 -0.89 -2.31 116.25 119.51 1ba1 h VAL 119 Ca -0.06 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1ba1 h VAL 119 Cb 1.31 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1ba1 h VAL 119 CO 0.13 0.16 -0.28 0.28 0.02 0.00 0.00 177.57 177.88 1ba1 h SER 120 N 0.45 0.04 -0.01 0.57 0.02 -0.96 -1.99 113.55 111.67 1ba1 h SER 120 Ca 0.12 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1ba1 h SER 120 Cb 0.09 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1ba1 h SER 120 CO -0.02 0.32 -0.17 0.77 -1.14 0.00 0.00 176.83 176.60 1ba1 h SER 121 N 0.04 0.33 -0.58 3.07 4.64 -0.33 0.32 113.55 121.04 1ba1 h SER 121 Ca 0.00 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 1ba1 h SER 121 Cb 0.51 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1ba1 h SER 121 CO 0.04 0.52 0.15 0.24 -0.87 0.00 0.00 176.83 176.91 1ba1 h MET 122 N 0.32 0.92 -0.42 4.77 2.86 -0.85 0.18 114.93 122.72 1ba1 h MET 122 Ca 0.06 -0.22 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 1ba1 h MET 122 Cb 0.49 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1ba1 h MET 122 CO 0.03 0.85 -0.10 0.28 1.06 0.00 0.00 176.91 179.03 1ba1 h VAL 123 N 0.83 1.27 -0.40 -2.22 2.07 -1.16 -2.37 116.25 114.28 1ba1 h VAL 123 Ca 0.18 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 1ba1 h VAL 123 Cb 0.34 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1ba1 h VAL 123 CO 0.00 0.41 -0.03 -0.07 0.02 0.00 0.00 177.57 177.89 1ba1 h LEU 124 N 0.62 0.63 -0.60 2.57 3.38 -0.68 -1.24 115.31 119.99 1ba1 h LEU 124 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ba1 h LEU 124 Cb 0.63 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1ba1 h LEU 124 CO 0.04 0.73 0.37 0.74 0.09 0.00 0.00 178.44 180.40 1ba1 h THR 125 N 0.62 1.17 -0.55 0.22 2.02 -0.47 0.11 112.91 116.03 1ba1 h THR 125 Ca 0.12 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1ba1 h THR 125 Cb 0.44 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1ba1 h THR 125 CO 0.02 0.18 0.35 0.50 0.37 0.00 0.00 175.52 176.94 1ba1 h LYS 126 N 0.81 0.74 -0.54 6.66 1.63 -0.87 -0.02 116.57 124.98 1ba1 h LYS 126 Ca 0.22 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1ba1 h LYS 126 Cb -0.03 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 1ba1 h LYS 126 CO -0.04 0.51 0.08 0.52 -3.45 0.00 0.00 179.45 177.07 1ba1 h MET 127 N 0.75 0.85 -0.42 1.90 2.86 -0.69 -0.52 114.93 119.66 1ba1 h MET 127 Ca 0.20 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1ba1 h MET 127 Cb -0.06 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1ba1 h MET 127 CO -0.04 0.80 0.14 -0.22 1.06 0.00 0.00 176.91 178.64 1ba1 h LYS 128 N 0.81 0.65 -0.35 1.72 3.64 -0.26 -1.92 116.57 120.86 1ba1 h LYS 128 Ca 0.17 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1ba1 h LYS 128 Cb 0.36 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1ba1 h LYS 128 CO 0.01 0.64 -0.15 0.93 -2.27 0.00 0.00 179.45 178.61 1ba1 h GLU 129 N 0.54 0.63 -0.29 1.90 5.08 -0.65 -0.42 114.58 121.37 1ba1 h GLU 129 Ca 0.14 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ba1 h GLU 129 Cb 0.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1ba1 h GLU 129 CO -0.01 0.76 0.14 0.82 -1.00 0.00 0.00 179.01 179.72 1ba1 h ILE 130 N 0.57 1.15 -0.57 3.13 2.04 -0.87 0.29 117.51 123.26 1ba1 h ILE 130 Ca 0.10 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1ba1 h ILE 130 Cb 0.58 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1ba1 h ILE 130 CO 0.04 0.16 0.16 0.00 0.00 0.00 0.00 178.15 178.50 1ba1 h ALA 131 N 1.00 0.75 -0.73 1.87 0.00 -1.05 -2.57 119.26 118.53 1ba1 h ALA 131 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1ba1 h ALA 131 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ba1 h ALA 131 CO -0.01 0.43 0.27 0.93 0.00 0.00 0.00 179.25 180.87 1ba1 h GLU 132 N 0.80 1.10 -0.65 0.00 5.08 -0.79 0.11 114.58 120.23 1ba1 h GLU 132 Ca 0.18 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1ba1 h GLU 132 Cb 0.32 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ba1 h GLU 132 CO -0.00 0.90 0.20 0.00 -1.00 0.00 0.00 179.01 179.12 1ba1 h ALA 133 N 1.23 1.13 0.03 3.43 0.00 -0.79 0.18 119.26 124.47 1ba1 h ALA 133 Ca 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ba1 h ALA 133 Cb 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ba1 h ALA 133 CO -0.02 0.60 -0.01 -0.92 0.00 0.00 0.00 179.25 178.90 1ba1 h TYR 134 N 0.96 -0.04 0.00 0.00 3.20 -1.02 -3.32 116.97 116.75 1ba1 h TYR 134 Ca 0.21 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1ba1 h TYR 134 Cb 0.27 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1ba1 h TYR 134 CO 0.02 0.51 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.69 1ba1 h LEU 135 N -0.61 0.00 1.25 2.82 3.38 -0.76 -3.47 115.31 117.91 1ba1 h LEU 135 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1ba1 h LEU 135 Cb 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1ba1 h LEU 135 CO 0.01 0.29 -0.28 0.61 0.09 0.00 0.00 178.44 179.15 1ba1 n GLY 136 N 0.62 0.55 3.13 0.83 0.00 0.64 -4.99 105.19 105.97 1ba1 n GLY 136 Ca 0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1ba1 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba1 s LYS 137 N -3.90 0.63 0.20 1.61 1.02 -1.22 -5.08 119.74 112.99 1ba1 s LYS 137 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.91 1ba1 s LYS 137 Cb 0.00 0.25 -0.09 0.00 -0.52 0.00 0.00 37.83 37.47 1ba1 s LYS 137 CO 0.00 -0.16 1.28 0.99 -0.92 0.00 0.00 175.35 176.54 1ba1 s THR 138 N -2.77 3.30 -0.19 2.17 2.01 -1.26 -4.44 115.64 114.45 1ba1 s THR 138 Ca -0.04 1.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.99 1ba1 s THR 138 Cb -0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1ba1 s THR 138 CO -0.05 0.16 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.33 1ba1 s VAL 139 N 0.07 3.84 0.05 3.82 1.01 -1.26 -4.83 120.40 123.10 1ba1 s VAL 139 Ca 0.56 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1ba1 s VAL 139 Cb -0.36 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1ba1 s VAL 139 CO 0.38 0.44 0.00 0.41 0.00 0.00 0.00 175.10 176.33 1ba1 n THR 140 N 4.12 0.46 -2.55 3.92 -1.04 -1.26 -4.89 114.28 113.04 1ba1 n THR 140 Ca -0.17 0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 1ba1 n THR 140 Cb 0.52 -1.40 -0.04 0.00 -1.82 0.00 0.00 70.33 67.59 1ba1 n THR 140 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ba1 s ASN 141 N -5.37 7.33 0.07 8.00 0.01 -1.26 -0.23 114.94 123.49 1ba1 s ASN 141 Ca 0.00 2.10 -0.19 0.00 -0.71 0.00 0.00 52.86 54.05 1ba1 s ASN 141 Cb 0.00 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.09 1ba1 s ASN 141 CO 0.00 -0.14 0.45 0.00 -1.51 0.00 0.00 177.10 175.90 1ba1 s ALA 142 N -0.58 -1.12 -0.15 0.60 0.00 -0.57 -1.67 121.76 118.27 1ba1 s ALA 142 Ca 0.47 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 1ba1 s ALA 142 Cb -0.29 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1ba1 s ALA 142 CO 0.36 -0.52 -0.12 0.08 0.00 0.00 0.00 175.76 175.56 1ba1 s VAL 143 N -2.80 3.06 -0.08 0.00 1.01 -0.54 0.08 120.40 121.13 1ba1 s VAL 143 Ca -0.03 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1ba1 s VAL 143 Cb -0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1ba1 s VAL 143 CO -0.05 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.69 1ba1 s VAL 144 N 0.65 2.71 0.26 2.92 1.01 -1.02 -1.04 120.40 125.89 1ba1 s VAL 144 Ca -0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1ba1 s VAL 144 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1ba1 s VAL 144 CO 0.02 0.56 0.45 0.42 0.00 0.00 0.00 175.10 176.56 1ba1 s THR 145 N -0.13 5.16 0.05 3.92 -4.23 -0.98 -2.30 115.64 117.12 1ba1 s THR 145 Ca -0.02 -0.41 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1ba1 s THR 145 Cb -0.14 -3.78 -0.01 0.00 1.34 0.00 0.00 72.50 69.90 1ba1 s THR 145 CO 0.04 -0.32 0.09 0.68 -0.54 0.00 0.00 174.62 174.57 1ba1 s VAL 146 N -2.04 0.15 0.56 2.29 -7.23 -0.14 -4.43 120.40 109.55 1ba1 s VAL 146 Ca 0.39 -1.21 -0.21 0.00 -1.81 0.00 0.00 61.98 59.15 1ba1 s VAL 146 Cb -0.10 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 1ba1 s VAL 146 CO 0.31 -0.67 1.30 -2.84 -0.31 0.00 0.00 175.10 172.90 1ba1 s PRO 147 N -2.97 3.11 0.55 4.82 0.02 -1.26 -0.35 135.00 138.91 1ba1 s PRO 147 Ca -0.02 2.09 0.26 0.00 0.02 0.00 0.00 61.00 63.35 1ba1 s PRO 147 Cb 0.01 -2.17 1.44 0.00 0.02 0.00 0.00 34.50 33.80 1ba1 s PRO 147 CO -0.06 -1.17 2.02 0.00 -0.33 0.00 0.00 177.00 177.46 1ba1 h ALA 148 N 1.33 2.30 -0.00 -1.55 0.00 -1.94 -1.20 119.26 118.20 1ba1 h ALA 148 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ba1 h ALA 148 Cb 1.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ba1 h ALA 148 CO 0.57 -0.54 -0.05 2.48 0.00 0.00 0.00 179.25 181.70 1ba1 n TYR 149 N -4.22 0.00 -1.91 0.00 0.18 -1.26 -4.91 117.16 105.04 1ba1 n TYR 149 Ca 0.07 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.44 1ba1 n TYR 149 Cb 0.52 -0.11 -0.01 0.00 -0.38 0.00 0.00 39.34 39.35 1ba1 n TYR 149 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1ba1 s PHE 150 N -2.28 2.83 0.71 -3.48 0.40 -0.45 -5.01 117.98 110.69 1ba1 s PHE 150 Ca 0.35 1.08 -0.05 0.00 -0.60 0.00 0.00 56.93 57.72 1ba1 s PHE 150 Cb 0.21 -3.91 0.15 0.00 0.51 0.00 0.00 43.02 39.97 1ba1 s PHE 150 CO 0.42 -2.83 0.98 0.27 0.70 0.00 0.00 175.22 174.76 1ba1 n ASN 151 N 1.44 0.81 -0.30 1.36 0.23 -1.26 -4.83 115.26 112.71 1ba1 n ASN 151 Ca 0.04 -1.80 0.01 0.00 -0.53 0.00 0.00 54.58 52.30 1ba1 n ASN 151 Cb 0.40 -0.68 0.15 0.00 -2.08 0.00 0.00 39.78 37.56 1ba1 n ASN 151 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ba1 h ASP 152 N -0.87 0.76 -0.43 0.53 3.32 -1.99 -0.58 116.42 117.16 1ba1 h ASP 152 Ca -0.32 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 1ba1 h ASP 152 Cb 1.06 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1ba1 h ASP 152 CO 0.30 0.47 -0.01 -1.28 -1.72 0.00 0.00 179.24 177.00 1ba1 h SER 153 N 0.88 0.75 -0.22 6.45 0.87 -1.94 0.24 113.55 120.58 1ba1 h SER 153 Ca 0.38 -0.31 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1ba1 h SER 153 Cb 0.24 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1ba1 h SER 153 CO -0.20 0.88 -0.17 1.56 -0.53 0.00 0.00 176.83 178.37 1ba1 h GLN 154 N 0.60 0.64 -0.30 2.24 4.20 -1.63 -0.19 115.11 120.67 1ba1 h GLN 154 Ca 0.12 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1ba1 h GLN 154 Cb 0.50 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1ba1 h GLN 154 CO 0.02 0.78 -0.30 0.00 -0.67 0.00 0.00 178.83 178.66 1ba1 h ARG 155 N 0.58 0.73 -0.06 1.46 3.08 -0.97 -2.14 114.38 117.05 1ba1 h ARG 155 Ca 0.09 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1ba1 h ARG 155 Cb 0.61 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1ba1 h ARG 155 CO 0.04 1.01 0.03 0.37 -1.07 0.00 0.00 179.97 180.35 1ba1 h GLN 156 N 0.48 0.09 -0.28 0.04 5.75 -0.69 -0.63 115.11 119.86 1ba1 h GLN 156 Ca 0.05 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1ba1 h GLN 156 Cb 0.88 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1ba1 h GLN 156 CO 0.07 0.14 0.09 0.00 -2.65 0.00 0.00 178.83 176.49 1ba1 h ALA 157 N 0.94 1.64 -0.19 3.38 0.00 -1.04 0.60 119.26 124.59 1ba1 h ALA 157 Ca 0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1ba1 h ALA 157 Cb 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ba1 h ALA 157 CO -0.00 0.28 -0.33 1.15 0.00 0.00 0.00 179.25 180.35 1ba1 h THR 158 N 0.39 1.34 -0.68 0.00 2.02 -1.04 -1.76 112.91 113.18 1ba1 h THR 158 Ca 0.10 -1.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.71 1ba1 h THR 158 Cb 0.11 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1ba1 h THR 158 CO -0.01 0.48 0.36 0.50 0.37 0.00 0.00 175.52 177.22 1ba1 h LYS 159 N 0.22 0.95 -0.95 6.66 3.64 -0.54 -2.26 116.57 124.30 1ba1 h LYS 159 Ca 0.01 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1ba1 h LYS 159 Cb 0.92 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.49 1ba1 h LYS 159 CO 0.07 0.72 0.62 -0.44 -2.27 0.00 0.00 179.45 178.15 1ba1 h ASP 160 N 0.93 1.01 -0.92 4.20 3.32 -0.80 -0.37 116.42 123.81 1ba1 h ASP 160 Ca 0.24 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1ba1 h ASP 160 Cb 0.05 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.32 1ba1 h ASP 160 CO -0.04 0.68 0.59 0.00 -1.72 0.00 0.00 179.24 178.75 1ba1 h ALA 161 N 1.41 1.23 -0.15 3.45 0.00 -0.74 0.69 119.26 125.14 1ba1 h ALA 161 Ca 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1ba1 h ALA 161 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ba1 h ALA 161 CO -0.14 0.42 0.03 0.78 0.00 0.00 0.00 179.25 180.35 1ba1 h GLY 162 N 1.12 0.27 0.69 0.00 0.00 -0.83 -2.06 103.07 102.26 1ba1 h GLY 162 Ca 0.37 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.58 1ba1 h GLY 162 CO -0.14 0.16 0.30 -0.84 0.00 0.00 0.00 176.54 176.02 1ba1 h THR 163 N 0.05 0.95 -0.44 4.70 2.02 -0.51 -0.64 112.91 119.04 1ba1 h THR 163 Ca 0.05 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1ba1 h THR 163 Cb 0.27 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1ba1 h THR 163 CO 0.00 0.10 0.19 0.40 0.37 0.00 0.00 175.52 176.58 1ba1 h ILE 164 N 0.56 1.16 0.00 3.11 2.04 -0.77 -0.42 117.51 123.20 1ba1 h ILE 164 Ca 0.26 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1ba1 h ILE 164 Cb 0.17 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1ba1 h ILE 164 CO -0.18 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1ba1 n ALA 165 N -2.47 2.22 -0.42 1.87 0.00 -0.54 -4.85 120.51 116.31 1ba1 n ALA 165 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ba1 n ALA 165 Cb 0.14 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1ba1 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba1 n GLY 166 N 0.62 0.76 3.90 0.00 0.00 -0.16 -4.74 105.19 105.57 1ba1 n GLY 166 Ca 0.12 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1ba1 n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba1 s LEU 167 N 0.00 4.37 -0.56 0.99 1.43 -0.36 -4.78 118.68 119.77 1ba1 s LEU 167 Ca 0.00 0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 1ba1 s LEU 167 Cb 0.00 -2.52 0.12 0.00 0.03 0.00 0.00 46.19 43.82 1ba1 s LEU 167 CO 0.00 0.29 0.58 0.21 0.23 0.00 0.00 176.35 177.65 1ba1 s ASN 168 N -1.76 6.19 -0.57 2.29 2.47 0.69 -3.60 114.94 120.65 1ba1 s ASN 168 Ca 0.25 -1.67 -0.27 0.00 0.42 0.00 0.00 52.86 51.59 1ba1 s ASN 168 Cb -0.13 -2.24 -0.01 0.00 -1.45 0.00 0.00 41.25 37.42 1ba1 s ASN 168 CO 0.16 -0.95 1.68 -0.69 -3.72 0.00 0.00 177.10 173.58 1ba1 s VAL 169 N 1.98 3.52 0.25 -5.21 1.01 -1.26 -1.51 120.40 119.18 1ba1 s VAL 169 Ca 0.06 0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1ba1 s VAL 169 Cb -0.28 -4.12 0.25 0.00 0.00 0.00 0.00 36.38 32.24 1ba1 s VAL 169 CO 0.04 -0.99 1.92 -0.07 0.00 0.00 0.00 175.10 176.01 1ba1 h LEU 170 N 14.82 1.13 -7.00 3.92 3.38 -0.74 -3.46 115.31 127.37 1ba1 h LEU 170 Ca -0.27 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1ba1 h LEU 170 Cb 1.13 -0.28 -0.22 0.00 0.09 0.00 0.00 40.66 41.38 1ba1 h LEU 170 CO 1.18 0.82 0.58 -0.60 0.09 0.00 0.00 178.44 180.52 1ba1 s ARG 171 N -6.11 0.57 -0.24 1.13 3.52 -1.25 -5.06 118.95 111.51 1ba1 s ARG 171 Ca -0.13 0.08 -0.07 0.00 -0.13 0.00 0.00 55.73 55.48 1ba1 s ARG 171 Cb 0.18 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.80 1ba1 s ARG 171 CO 0.82 -0.19 0.06 0.42 -0.81 0.00 0.00 175.30 175.60 1ba1 s ILE 172 N -1.37 4.35 0.26 4.11 -1.09 -1.26 -2.43 121.20 123.77 1ba1 s ILE 172 Ca 0.00 -0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.35 1ba1 s ILE 172 Cb -0.01 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 1ba1 s ILE 172 CO -0.00 0.36 -0.13 0.27 -1.23 0.00 0.00 174.94 174.20 1ba1 s ILE 173 N 1.40 1.97 0.23 2.92 -4.36 -0.97 -4.98 121.20 117.41 1ba1 s ILE 173 Ca 0.05 -2.25 -0.30 0.00 -0.26 0.00 0.00 60.65 57.90 1ba1 s ILE 173 Cb -0.15 -2.27 -0.09 0.00 1.25 0.00 0.00 42.46 41.21 1ba1 s ILE 173 CO 0.03 -0.43 1.15 0.20 0.24 0.00 0.00 174.94 176.13 1ba1 s ASN 174 N -3.43 7.16 0.17 4.36 0.01 -1.26 -0.96 114.94 120.99 1ba1 s ASN 174 Ca 0.27 2.26 -0.15 0.00 -0.71 0.00 0.00 52.86 54.54 1ba1 s ASN 174 Cb -0.01 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.14 1ba1 s ASN 174 CO 0.11 -0.27 1.76 -0.33 -1.51 0.00 0.00 177.10 176.86 1ba1 h GLU 175 N 4.53 0.33 -0.43 -0.60 5.08 -1.01 -0.42 114.58 122.06 1ba1 h GLU 175 Ca -0.46 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1ba1 h GLU 175 Cb 1.21 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1ba1 h GLU 175 CO 0.71 0.22 0.11 -1.00 -1.00 0.00 0.00 179.01 178.05 1ba1 h PRO 176 N 0.34 0.64 -0.45 2.33 0.13 -1.93 -0.93 132.00 132.13 1ba1 h PRO 176 Ca 0.19 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 1ba1 h PRO 176 Cb 0.17 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 1ba1 h PRO 176 CO -0.19 0.58 -0.03 1.15 -0.23 0.00 0.00 178.00 179.28 1ba1 h THR 177 N 0.62 1.27 -0.80 1.56 2.02 -1.82 -1.55 112.91 114.20 1ba1 h THR 177 Ca 0.14 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.23 1ba1 h THR 177 Cb 0.22 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1ba1 h THR 177 CO -0.00 0.38 0.52 0.00 0.37 0.00 0.00 175.52 176.79 1ba1 h ALA 178 N 0.90 1.02 -0.69 6.16 0.00 -0.45 -0.23 119.26 125.97 1ba1 h ALA 178 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ba1 h ALA 178 Cb 0.54 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ba1 h ALA 178 CO 0.03 0.44 0.36 0.00 0.00 0.00 0.00 179.25 180.08 1ba1 h ALA 179 N 1.29 0.88 -0.72 0.00 0.00 -0.86 -1.39 119.26 118.46 1ba1 h ALA 179 Ca 0.29 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1ba1 h ALA 179 Cb -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1ba1 h ALA 179 CO -0.06 0.41 0.22 0.00 0.00 0.00 0.00 179.25 179.83 1ba1 h ALA 180 N 1.18 0.95 -0.46 0.00 0.00 -0.68 -2.61 119.26 117.63 1ba1 h ALA 180 Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ba1 h ALA 180 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ba1 h ALA 180 CO -0.04 0.63 0.08 0.82 0.00 0.00 0.00 179.25 180.75 1ba1 h ILE 181 N 1.07 1.21 -0.63 0.00 2.04 -0.54 -1.39 117.51 119.27 1ba1 h ILE 181 Ca 0.23 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1ba1 h ILE 181 Cb 0.31 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1ba1 h ILE 181 CO -0.01 0.29 0.42 0.00 0.00 0.00 0.00 178.15 178.85 1ba1 h ALA 182 N 1.41 1.71 -0.43 1.87 0.00 -0.88 -0.51 119.26 122.43 1ba1 h ALA 182 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ba1 h ALA 182 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ba1 h ALA 182 CO 0.00 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.12 1ba1 n TYR 183 N -4.47 0.64 -1.37 0.00 4.01 -0.95 -4.91 117.16 110.11 1ba1 n TYR 183 Ca 0.08 -0.30 -0.13 0.00 -0.16 0.00 0.00 57.90 57.39 1ba1 n TYR 183 Cb 0.17 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.12 1ba1 n TYR 183 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ba1 n GLY 184 N 1.14 1.35 0.00 2.72 0.00 -0.20 -4.86 105.19 105.34 1ba1 n GLY 184 Ca 0.15 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ba1 n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ba1 n LEU 185 N -1.46 0.00 -0.05 0.99 4.77 -0.57 -2.26 117.00 118.43 1ba1 n LEU 185 Ca -0.13 0.01 0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1ba1 n LEU 185 Cb 0.44 -0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.68 1ba1 n LEU 185 CO 0.19 -0.00 0.34 -0.90 -1.33 0.00 0.00 177.39 175.69 1ba1 n ASP 186 N -1.01 0.75 -4.76 -1.43 5.75 -1.26 -4.94 116.55 109.65 1ba1 n ASP 186 Ca 0.15 -0.57 -0.38 0.00 -0.01 0.00 0.00 54.79 53.99 1ba1 n ASP 186 Cb 0.07 0.44 0.01 0.00 -1.03 0.00 0.00 41.12 40.61 1ba1 n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ba1 s LYS 187 N -2.92 3.53 -0.08 0.11 1.02 -0.96 -3.65 119.74 116.79 1ba1 s LYS 187 Ca 0.12 1.94 -0.30 0.00 0.02 0.00 0.00 55.97 57.76 1ba1 s LYS 187 Cb 0.17 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1ba1 s LYS 187 CO 0.72 -0.79 1.03 -1.59 -0.92 0.00 0.00 175.35 173.80 1ba1 s LYS 188 N -2.78 4.43 0.00 1.68 0.00 -1.26 -4.77 119.74 117.05 1ba1 s LYS 188 Ca 0.66 1.43 0.00 0.00 0.00 0.00 0.00 55.97 58.07 1ba1 s LYS 188 Cb -0.33 -3.53 0.00 0.00 0.00 0.00 0.00 37.83 33.97 1ba1 s LYS 188 CO 0.39 -0.30 0.55 1.33 0.00 0.00 0.00 175.35 177.33 1ba1 n VAL 189 N 4.47 0.20 0.00 1.79 0.24 -1.26 -5.08 118.33 118.69 1ba1 n VAL 189 Ca 0.09 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1ba1 n VAL 189 Cb 0.49 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1ba1 n VAL 189 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ba1 n GLY 190 N -0.10 1.93 3.91 7.63 0.00 -1.26 -5.06 105.19 112.24 1ba1 n GLY 190 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1ba1 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba1 s ALA 191 N -2.00 2.81 0.67 4.61 0.00 -1.26 -4.68 121.76 121.91 1ba1 s ALA 191 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 1ba1 s ALA 191 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1ba1 s ALA 191 CO 0.00 -1.57 1.10 -1.83 0.00 0.00 0.00 175.76 173.46 1ba1 s GLU 192 N -5.48 2.78 -0.01 0.00 -1.05 -1.26 -4.82 118.70 108.86 1ba1 s GLU 192 Ca 0.62 1.32 0.02 0.00 -0.15 0.00 0.00 54.97 56.78 1ba1 s GLU 192 Cb -0.11 -1.95 -0.00 0.00 -0.44 0.00 0.00 34.13 31.63 1ba1 s GLU 192 CO 0.48 -1.26 -0.07 1.03 0.95 0.00 0.00 175.26 176.39 1ba1 s ARG 193 N -4.24 0.66 -0.23 -4.83 1.81 0.02 -4.96 118.95 107.18 1ba1 s ARG 193 Ca 0.65 -0.26 -0.09 0.00 -1.72 0.00 0.00 55.73 54.31 1ba1 s ARG 193 Cb -0.19 -0.64 -0.04 0.00 -0.45 0.00 0.00 34.95 33.63 1ba1 s ARG 193 CO 0.44 0.14 0.13 -0.80 -0.68 0.00 0.00 175.30 174.52 1ba1 s ASN 194 N -0.07 5.83 -0.03 0.23 0.01 -1.26 -0.87 114.94 118.77 1ba1 s ASN 194 Ca 0.01 0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.27 1ba1 s ASN 194 Cb -0.04 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 1ba1 s ASN 194 CO -0.00 0.06 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.74 1ba1 s VAL 195 N 1.06 1.80 -0.18 1.60 1.01 0.15 -0.18 120.40 125.66 1ba1 s VAL 195 Ca 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1ba1 s VAL 195 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1ba1 s VAL 195 CO 0.04 0.51 -0.04 -0.22 0.00 0.00 0.00 175.10 175.39 1ba1 s LEU 196 N -0.35 3.10 -0.26 3.92 0.20 -0.06 -0.83 118.68 124.40 1ba1 s LEU 196 Ca 0.04 -0.24 -0.09 0.00 0.69 0.00 0.00 54.13 54.53 1ba1 s LEU 196 Cb -0.10 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1ba1 s LEU 196 CO 0.01 0.09 0.13 -0.63 -0.29 0.00 0.00 176.35 175.65 1ba1 s ILE 197 N 0.84 4.82 -0.42 6.68 -1.09 0.60 -0.87 121.20 131.76 1ba1 s ILE 197 Ca -0.01 0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1ba1 s ILE 197 Cb -0.15 -3.27 0.11 0.00 -1.58 0.00 0.00 42.46 37.57 1ba1 s ILE 197 CO 0.02 0.30 0.24 0.12 -1.23 0.00 0.00 174.94 174.39 1ba1 s PHE 198 N 1.63 3.49 -0.35 3.97 2.19 -0.34 -1.41 117.98 127.16 1ba1 s PHE 198 Ca 0.07 -2.11 -0.03 0.00 0.33 0.00 0.00 56.93 55.19 1ba1 s PHE 198 Cb -0.15 -3.21 0.07 0.00 -1.31 0.00 0.00 43.02 38.42 1ba1 s PHE 198 CO 0.07 -0.95 0.10 0.34 1.83 0.00 0.00 175.22 176.61 1ba1 s ASP 199 N 2.08 5.12 -0.40 6.13 -1.08 0.20 -0.94 116.67 127.78 1ba1 s ASP 199 Ca 0.06 -1.57 -0.02 0.00 -0.52 0.00 0.00 52.55 50.50 1ba1 s ASP 199 Cb -0.24 -1.79 0.11 0.00 -1.46 0.00 0.00 42.92 39.54 1ba1 s ASP 199 CO -0.02 -0.39 0.18 -0.22 0.52 0.00 0.00 175.17 175.24 1ba1 s LEU 200 N 1.23 5.14 0.00 -1.34 2.96 -0.48 -0.33 118.68 125.87 1ba1 s LEU 200 Ca 0.01 -1.99 0.00 0.00 -0.22 0.00 0.00 54.13 51.93 1ba1 s LEU 200 Cb -0.21 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1ba1 s LEU 200 CO -0.02 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 1ba1 n GLY 201 N 4.58 1.52 0.12 7.98 0.00 -0.40 -1.75 105.19 117.24 1ba1 n GLY 201 Ca -0.03 -1.64 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 1ba1 n GLY 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ba1 h GLY 202 N 0.00 0.27 0.00 -0.02 0.00 -1.92 -0.52 103.07 100.88 1ba1 h GLY 202 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1ba1 h GLY 202 CO 0.00 0.61 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1ba1 n GLY 203 N 1.73 0.67 3.19 4.60 0.00 -1.26 -1.00 105.19 113.11 1ba1 n GLY 203 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1ba1 n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ba1 s THR 204 N -0.19 0.98 -0.12 2.61 -4.23 -0.96 -1.74 115.64 111.99 1ba1 s THR 204 Ca 0.00 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1ba1 s THR 204 Cb 0.00 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.42 1ba1 s THR 204 CO 0.00 -0.58 -0.10 0.12 -0.54 0.00 0.00 174.62 173.52 1ba1 s PHE 205 N -2.57 1.67 -0.09 3.99 5.36 0.29 -1.27 117.98 125.36 1ba1 s PHE 205 Ca 0.07 -0.86 0.02 0.00 -0.96 0.00 0.00 56.93 55.20 1ba1 s PHE 205 Cb -0.02 -1.33 0.01 0.00 -0.34 0.00 0.00 43.02 41.35 1ba1 s PHE 205 CO 0.00 -0.55 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.56 1ba1 s ASP 206 N 1.62 2.16 -0.12 6.13 1.01 0.56 -0.86 116.67 127.17 1ba1 s ASP 206 Ca 0.04 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.95 1ba1 s ASP 206 Cb -0.13 -0.97 -0.01 0.00 1.01 0.00 0.00 42.92 42.82 1ba1 s ASP 206 CO -0.09 0.02 -0.17 -0.69 0.21 0.00 0.00 175.17 174.46 1ba1 s VAL 207 N 0.84 2.74 -0.01 -1.27 1.01 0.17 -0.63 120.40 123.26 1ba1 s VAL 207 Ca -0.10 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1ba1 s VAL 207 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1ba1 s VAL 207 CO 0.01 0.54 -0.05 -0.44 0.00 0.00 0.00 175.10 175.16 1ba1 s SER 208 N 0.31 0.62 -0.21 3.32 0.01 -0.50 -0.81 113.70 116.44 1ba1 s SER 208 Ca -0.13 -0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 1ba1 s SER 208 Cb -0.16 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1ba1 s SER 208 CO 0.07 0.04 -0.09 -0.63 0.41 0.00 0.00 173.24 173.04 1ba1 s ILE 209 N 0.03 2.95 0.04 1.44 1.01 -0.18 -0.29 121.20 126.21 1ba1 s ILE 209 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1ba1 s ILE 209 Cb -0.04 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1ba1 s ILE 209 CO -0.00 0.42 -0.08 -0.76 0.00 0.00 0.00 174.94 174.52 1ba1 s LEU 210 N 1.40 3.13 -0.19 2.97 1.43 -0.01 -0.31 118.68 127.10 1ba1 s LEU 210 Ca 0.05 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1ba1 s LEU 210 Cb -0.14 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1ba1 s LEU 210 CO -0.06 0.24 -0.17 -0.89 0.23 0.00 0.00 176.35 175.70 1ba1 s THR 211 N -1.08 2.22 -0.09 5.49 2.01 0.10 -0.67 115.64 123.62 1ba1 s THR 211 Ca 0.19 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1ba1 s THR 211 Cb -0.11 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1ba1 s THR 211 CO 0.10 0.48 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.74 1ba1 s ILE 212 N 1.30 2.98 -0.22 1.82 1.01 -0.05 -0.97 121.20 127.07 1ba1 s ILE 212 Ca 0.04 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 1ba1 s ILE 212 Cb -0.14 -2.20 0.07 0.00 0.01 0.00 0.00 42.46 40.20 1ba1 s ILE 212 CO -0.11 0.56 0.54 -0.70 0.00 0.00 0.00 174.94 175.22 1ba1 s GLU 213 N -0.17 0.56 -1.47 2.79 2.12 -0.67 -0.80 118.70 121.05 1ba1 s GLU 213 Ca -0.00 0.94 -0.05 0.00 0.36 0.00 0.00 54.97 56.22 1ba1 s GLU 213 Cb -0.13 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.38 1ba1 s GLU 213 CO 0.03 -0.14 0.45 -0.25 -0.54 0.00 0.00 175.26 174.82 1ba1 n ASP 214 N 4.00 -5.28 0.00 -1.70 9.92 -1.26 -0.76 116.55 121.48 1ba1 n ASP 214 Ca -0.20 -0.24 0.00 0.00 -0.53 0.00 0.00 54.79 53.82 1ba1 n ASP 214 Cb 0.57 -4.31 0.00 0.00 -0.64 0.00 0.00 41.12 36.73 1ba1 n ASP 214 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ba1 n GLY 215 N -1.31 0.55 3.70 0.44 0.00 -1.24 -4.98 105.19 102.34 1ba1 n GLY 215 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1ba1 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba1 s ILE 216 N -2.47 5.31 -0.08 -0.61 1.01 0.06 -5.03 121.20 119.39 1ba1 s ILE 216 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 1ba1 s ILE 216 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1ba1 s ILE 216 CO 0.00 0.42 0.19 -0.36 0.00 0.00 0.00 174.94 175.19 1ba1 s PHE 217 N 0.53 3.61 -0.07 3.97 0.40 -1.26 -1.67 117.98 123.48 1ba1 s PHE 217 Ca 0.07 0.57 0.01 0.00 -0.60 0.00 0.00 56.93 56.98 1ba1 s PHE 217 Cb -0.12 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1ba1 s PHE 217 CO -0.00 0.71 -0.07 -2.00 0.70 0.00 0.00 175.22 174.56 1ba1 s GLU 218 N -1.18 1.18 -0.62 0.44 2.12 -0.14 -4.98 118.70 115.52 1ba1 s GLU 218 Ca 0.18 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 55.08 1ba1 s GLU 218 Cb -0.13 -1.16 0.05 0.00 0.26 0.00 0.00 34.13 33.15 1ba1 s GLU 218 CO 0.08 -0.12 1.02 0.08 -0.54 0.00 0.00 175.26 175.78 1ba1 s VAL 219 N 1.15 4.23 0.06 3.70 1.01 -1.26 -0.72 120.40 128.56 1ba1 s VAL 219 Ca -0.07 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1ba1 s VAL 219 Cb -0.14 -4.66 -0.13 0.00 0.00 0.00 0.00 36.38 31.44 1ba1 s VAL 219 CO -0.01 -1.36 1.34 0.11 0.00 0.00 0.00 175.10 175.18 1ba1 h LYS 220 N 9.53 0.48 -2.91 2.72 1.57 -1.01 -3.48 116.57 123.47 1ba1 h LYS 220 Ca -0.27 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 1ba1 h LYS 220 Cb 1.07 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 33.27 1ba1 h LYS 220 CO 1.16 0.86 0.20 -1.54 -0.57 0.00 0.00 179.45 179.55 1ba1 s SER 221 N -6.33 -0.57 0.01 0.86 1.04 -1.15 -4.61 113.70 102.96 1ba1 s SER 221 Ca -0.13 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1ba1 s SER 221 Cb 0.06 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1ba1 s SER 221 CO 0.78 -0.93 -0.02 0.42 0.98 0.00 0.00 173.24 174.48 1ba1 s THR 222 N -3.47 0.12 0.33 2.02 -4.23 -1.26 -1.00 115.64 108.14 1ba1 s THR 222 Ca -0.00 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 59.92 1ba1 s THR 222 Cb -0.01 -0.19 0.02 0.00 1.34 0.00 0.00 72.50 73.66 1ba1 s THR 222 CO -0.10 -0.24 0.57 0.00 -0.54 0.00 0.00 174.62 174.31 1ba1 s ALA 223 N -0.75 0.04 0.00 3.99 0.00 0.01 -4.86 121.76 120.19 1ba1 s ALA 223 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1ba1 s ALA 223 Cb -0.05 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1ba1 s ALA 223 CO -0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1ba1 n GLY 224 N -0.51 0.79 3.08 0.00 0.00 -1.26 -0.65 105.19 106.64 1ba1 n GLY 224 Ca -0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1ba1 n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ba1 s ASP 225 N -4.00 0.08 0.00 1.61 -1.08 -0.04 -4.97 116.67 108.27 1ba1 s ASP 225 Ca 0.00 0.60 0.17 0.00 -0.52 0.00 0.00 52.55 52.81 1ba1 s ASP 225 Cb 0.00 1.13 0.88 0.00 -1.46 0.00 0.00 42.92 43.47 1ba1 s ASP 225 CO 0.00 -0.26 1.51 0.35 0.52 0.00 0.00 175.17 177.28 1ba1 n THR 226 N 5.37 0.46 -2.41 1.71 -2.24 -1.26 -0.55 114.28 115.37 1ba1 n THR 226 Ca -0.06 0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.68 1ba1 n THR 226 Cb 0.50 -0.83 0.03 0.00 -2.10 0.00 0.00 70.33 67.92 1ba1 n THR 226 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ba1 n HIS 227 N -1.27 2.22 -3.72 4.78 8.25 -1.24 -4.40 115.22 119.84 1ba1 n HIS 227 Ca 0.08 -2.38 -0.17 0.00 -0.26 0.00 0.00 57.72 55.00 1ba1 n HIS 227 Cb 0.13 -0.27 -0.16 0.00 1.12 0.00 0.00 29.99 30.81 1ba1 n HIS 227 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ba1 s LEU 228 N -3.61 0.55 0.00 2.41 2.96 -0.71 -4.97 118.68 115.31 1ba1 s LEU 228 Ca 0.41 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1ba1 s LEU 228 Cb 0.39 0.04 0.02 0.00 0.50 0.00 0.00 46.19 47.13 1ba1 s LEU 228 CO -0.02 -0.19 0.21 0.61 -1.32 0.00 0.00 176.35 175.65 1ba1 n GLY 229 N 4.70 0.81 0.41 7.98 0.00 -1.26 -2.08 105.19 115.75 1ba1 n GLY 229 Ca -0.17 -0.91 0.21 0.00 0.00 0.00 0.00 46.02 45.15 1ba1 n GLY 229 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ba1 h GLY 230 N 0.36 0.54 0.91 -0.02 0.00 -0.52 -0.85 103.07 103.49 1ba1 h GLY 230 Ca -0.04 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.24 1ba1 h GLY 230 CO 0.06 0.01 0.54 0.83 0.00 0.00 0.00 176.54 177.98 1ba1 h GLU 231 N 0.27 0.85 -0.17 4.80 5.08 -1.35 -0.70 114.58 123.35 1ba1 h GLU 231 Ca 0.41 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1ba1 h GLU 231 Cb 1.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1ba1 h GLU 231 CO -0.11 0.56 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.85 1ba1 h ASP 232 N 0.88 0.28 -0.11 1.42 3.32 -1.39 0.19 116.42 121.00 1ba1 h ASP 232 Ca 0.36 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 57.15 1ba1 h ASP 232 Cb 0.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ba1 h ASP 232 CO -0.13 0.48 -0.62 -0.26 -1.72 0.00 0.00 179.24 176.98 1ba1 h PHE 233 N 0.27 0.93 -0.73 4.55 0.04 -1.21 -2.43 116.94 118.36 1ba1 h PHE 233 Ca 0.05 -0.36 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 1ba1 h PHE 233 Cb 0.47 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 1ba1 h PHE 233 CO 0.01 1.16 0.34 -0.44 -0.60 0.00 0.00 178.31 178.78 1ba1 h ASP 234 N 0.54 0.96 -0.50 2.17 3.32 -0.73 -2.34 116.42 119.84 1ba1 h ASP 234 Ca -0.01 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 56.95 1ba1 h ASP 234 Cb 1.22 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 1ba1 h ASP 234 CO 0.13 0.83 0.22 0.78 -1.72 0.00 0.00 179.24 179.48 1ba1 h ASN 235 N 1.02 0.29 -0.92 6.45 -0.26 -0.74 0.11 115.58 121.54 1ba1 h ASN 235 Ca 0.25 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1ba1 h ASN 235 Cb 0.14 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.34 1ba1 h ASN 235 CO -0.03 0.20 0.58 0.03 -1.06 0.00 0.00 177.43 177.15 1ba1 h ARG 236 N 0.44 1.23 -0.31 0.81 2.47 -1.03 -1.54 114.38 116.45 1ba1 h ARG 236 Ca 0.23 -0.10 -0.10 0.00 -1.26 0.00 0.00 59.98 58.75 1ba1 h ARG 236 Cb 0.18 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1ba1 h ARG 236 CO -0.19 0.84 -0.20 0.52 0.56 0.00 0.00 179.97 181.51 1ba1 h MET 237 N 1.26 0.69 -0.11 0.04 2.86 -0.86 -2.29 114.93 116.52 1ba1 h MET 237 Ca 0.33 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1ba1 h MET 237 Cb -0.09 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1ba1 h MET 237 CO -0.07 0.92 -0.02 0.28 1.06 0.00 0.00 176.91 179.09 1ba1 h VAL 238 N 0.45 0.90 -0.98 -2.22 2.07 -0.41 -0.75 116.25 115.31 1ba1 h VAL 238 Ca 0.06 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1ba1 h VAL 238 Cb 0.74 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1ba1 h VAL 238 CO 0.05 0.00 0.65 0.78 0.02 0.00 0.00 177.57 179.08 1ba1 h ASN 239 N 0.02 1.12 -0.38 0.57 -0.26 -1.28 0.10 115.58 115.46 1ba1 h ASN 239 Ca 0.05 -0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1ba1 h ASN 239 Cb 0.07 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 1ba1 h ASN 239 CO -0.10 0.80 0.24 -0.74 -1.06 0.00 0.00 177.43 176.56 1ba1 h HIS 240 N 1.31 0.45 0.00 1.19 2.76 -0.89 -1.76 115.15 118.21 1ba1 h HIS 240 Ca 0.37 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.42 1ba1 h HIS 240 Cb -0.12 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1ba1 h HIS 240 CO -0.00 0.27 -0.59 0.74 -1.30 0.00 0.00 177.93 177.04 1ba1 h PHE 241 N 0.48 0.00 -0.49 5.26 0.04 -0.51 -1.73 116.94 119.99 1ba1 h PHE 241 Ca 0.15 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.86 1ba1 h PHE 241 Cb -0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1ba1 h PHE 241 CO -0.06 0.59 0.08 0.82 -0.60 0.00 0.00 178.31 179.14 1ba1 h ILE 242 N 0.00 1.25 -0.56 -0.55 2.04 -0.54 0.56 117.51 119.71 1ba1 h ILE 242 Ca -0.01 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1ba1 h ILE 242 Cb 1.26 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1ba1 h ILE 242 CO 0.08 0.33 0.32 0.00 0.00 0.00 0.00 178.15 178.87 1ba1 h ALA 243 N 0.97 0.72 -0.18 1.87 0.00 -1.17 -0.80 119.26 120.67 1ba1 h ALA 243 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ba1 h ALA 243 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ba1 h ALA 243 CO 0.01 0.22 0.10 1.49 0.00 0.00 0.00 179.25 181.07 1ba1 h GLU 244 N 0.75 0.25 -0.83 0.00 4.81 -0.96 -0.98 114.58 117.62 1ba1 h GLU 244 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1ba1 h GLU 244 Cb 0.03 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1ba1 h GLU 244 CO -0.03 0.25 0.49 0.35 -0.73 0.00 0.00 179.01 179.33 1ba1 h PHE 245 N 0.18 1.11 -0.80 0.92 3.04 -0.66 -0.96 116.94 119.78 1ba1 h PHE 245 Ca 0.06 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1ba1 h PHE 245 Cb 0.07 -0.36 -0.04 0.00 2.56 0.00 0.00 35.95 38.18 1ba1 h PHE 245 CO -0.04 0.75 0.36 -0.22 -2.02 0.00 0.00 178.31 177.14 1ba1 h LYS 246 N 1.15 1.17 -0.30 1.11 3.64 -0.92 0.14 116.57 122.55 1ba1 h LYS 246 Ca 0.30 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1ba1 h LYS 246 Cb -0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1ba1 h LYS 246 CO -0.05 0.92 0.00 -0.09 -2.27 0.00 0.00 179.45 177.96 1ba1 h ARG 247 N 1.15 0.52 0.00 1.90 2.43 -0.67 0.37 114.38 120.08 1ba1 h ARG 247 Ca 0.27 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1ba1 h ARG 247 Cb 0.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ba1 h ARG 247 CO -0.03 0.67 -0.37 0.87 -1.51 0.00 0.00 179.97 179.59 1ba1 h LYS 248 N 0.32 0.00 0.00 0.20 1.57 -0.99 -3.37 116.57 114.31 1ba1 h LYS 248 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1ba1 h LYS 248 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ba1 h LYS 248 CO 0.01 0.37 0.00 0.72 -0.57 0.00 0.00 179.45 179.99 1ba1 n HIS 249 N -3.23 0.00 -3.32 -1.35 8.25 0.47 -5.01 115.22 111.03 1ba1 n HIS 249 Ca 0.02 -0.04 -0.24 0.00 -0.26 0.00 0.00 57.72 57.20 1ba1 n HIS 249 Cb 0.66 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.77 1ba1 n HIS 249 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ba1 n LYS 250 N -0.04 -4.21 -4.06 -0.41 0.00 0.13 -4.96 118.16 104.61 1ba1 n LYS 250 Ca 0.00 0.63 -0.17 0.00 -0.00 0.00 0.00 58.31 58.78 1ba1 n LYS 250 Cb 0.12 -5.42 -0.15 0.00 -0.00 0.00 0.00 35.03 29.57 1ba1 n LYS 250 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ba1 s LYS 251 N -5.99 0.42 -0.27 -1.58 1.02 -1.24 -5.05 119.74 107.05 1ba1 s LYS 251 Ca 0.40 -0.07 -0.10 0.00 0.02 0.00 0.00 55.97 56.23 1ba1 s LYS 251 Cb -0.20 -0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 1ba1 s LYS 251 CO 0.50 -0.01 0.14 0.34 -0.92 0.00 0.00 175.35 175.40 1ba1 s ASP 252 N 0.45 5.64 0.00 2.83 -1.08 -1.26 -3.48 116.67 119.76 1ba1 s ASP 252 Ca -0.05 -0.15 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 1ba1 s ASP 252 Cb -0.08 -2.03 0.62 0.00 -1.46 0.00 0.00 42.92 39.97 1ba1 s ASP 252 CO -0.01 -0.07 1.48 2.30 0.52 0.00 0.00 175.17 179.40 1ba1 n ILE 253 N 5.00 0.00 -0.41 4.11 -5.35 -1.26 -4.55 119.36 116.90 1ba1 n ILE 253 Ca -0.15 -0.11 0.33 0.00 -0.27 0.00 0.00 62.75 62.55 1ba1 n ILE 253 Cb 0.51 0.45 0.61 0.00 -1.74 0.00 0.00 39.64 39.47 1ba1 n ILE 253 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ba1 h SER 254 N 1.02 0.30 0.77 7.28 0.02 -1.96 0.06 113.55 121.04 1ba1 h SER 254 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ba1 h SER 254 Cb 0.52 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1ba1 h SER 254 CO 0.00 -0.12 -0.35 -0.62 -1.14 0.00 0.00 176.83 174.59 1ba1 n GLU 255 N -4.70 0.07 -2.90 3.45 -0.58 -1.26 -4.65 120.64 110.07 1ba1 n GLU 255 Ca 0.34 0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.68 1ba1 n GLU 255 Cb 1.28 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 30.56 1ba1 n GLU 255 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ba1 s ASN 256 N -3.32 6.28 0.25 1.62 3.84 0.01 -4.92 114.94 118.70 1ba1 s ASN 256 Ca 0.11 -1.29 -0.05 0.00 0.21 0.00 0.00 52.86 51.84 1ba1 s ASN 256 Cb 0.17 -2.40 0.47 0.00 -0.55 0.00 0.00 41.25 38.93 1ba1 s ASN 256 CO 0.65 -1.32 1.67 0.11 -2.79 0.00 0.00 177.10 175.42 1ba1 h LYS 257 N 9.36 0.22 0.50 0.43 1.57 -1.83 -1.83 116.57 124.99 1ba1 h LYS 257 Ca -0.18 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1ba1 h LYS 257 Cb 1.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1ba1 h LYS 257 CO 1.16 0.14 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.85 1ba1 h ARG 258 N 0.22 -0.64 -0.81 3.15 2.43 -1.91 -1.23 114.38 115.59 1ba1 h ARG 258 Ca 0.42 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.78 1ba1 h ARG 258 Cb 0.74 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.34 1ba1 h ARG 258 CO -0.55 -0.42 0.37 0.00 -1.51 0.00 0.00 179.97 177.86 1ba1 h ALA 259 N -0.17 1.19 -0.28 2.80 0.00 -1.69 0.12 119.26 121.24 1ba1 h ALA 259 Ca -0.07 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ba1 h ALA 259 Cb 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ba1 h ALA 259 CO 0.11 -0.16 0.05 0.28 0.00 0.00 0.00 179.25 179.53 1ba1 h VAL 260 N 0.53 1.23 -0.52 0.00 2.07 -1.17 -1.47 116.25 116.91 1ba1 h VAL 260 Ca 0.45 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1ba1 h VAL 260 Cb 0.66 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1ba1 h VAL 260 CO -0.39 0.25 0.09 -0.09 0.02 0.00 0.00 177.57 177.45 1ba1 h ARG 261 N 0.28 0.82 -0.61 1.57 9.65 -0.07 0.93 114.38 126.94 1ba1 h ARG 261 Ca 0.09 -0.18 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 1ba1 h ARG 261 Cb 0.33 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1ba1 h ARG 261 CO 0.00 0.77 0.03 0.00 2.80 0.00 0.00 179.97 183.57 1ba1 h ARG 262 N 0.78 1.05 -0.46 0.20 3.08 -0.65 -0.61 114.38 117.77 1ba1 h ARG 262 Ca 0.17 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 1ba1 h ARG 262 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ba1 h ARG 262 CO 0.01 1.01 -0.09 1.25 -1.07 0.00 0.00 179.97 181.07 1ba1 h LEU 263 N 0.97 0.88 -0.39 3.04 5.85 -0.76 -2.09 115.31 122.81 1ba1 h LEU 263 Ca 0.18 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ba1 h LEU 263 Cb 0.52 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ba1 h LEU 263 CO 0.02 1.03 0.25 -0.09 -0.34 0.00 0.00 178.44 179.31 1ba1 h ARG 264 N 0.72 0.49 -0.61 1.25 2.43 -0.45 0.24 114.38 118.45 1ba1 h ARG 264 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1ba1 h ARG 264 Cb 0.63 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1ba1 h ARG 264 CO 0.04 0.32 0.33 1.15 -1.51 0.00 0.00 179.97 180.31 1ba1 h THR 265 N 0.50 1.20 -0.81 0.20 2.02 -1.06 0.23 112.91 115.18 1ba1 h THR 265 Ca 0.15 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1ba1 h THR 265 Cb -0.03 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1ba1 h THR 265 CO -0.05 0.21 0.33 0.00 0.37 0.00 0.00 175.52 176.39 1ba1 h ALA 266 N 1.16 1.06 -0.25 6.16 0.00 -0.81 -1.90 119.26 124.68 1ba1 h ALA 266 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ba1 h ALA 266 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ba1 h ALA 266 CO -0.03 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.93 1ba1 h GLU 268 N 0.22 1.06 -0.38 0.00 4.22 -0.77 0.21 114.58 119.14 1ba1 h GLU 268 Ca 0.08 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.36 1ba1 h GLU 268 Cb 0.32 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ba1 h GLU 268 CO 0.00 0.70 -0.11 0.00 -2.18 0.00 0.00 179.01 177.43 1ba1 h ARG 269 N 1.09 0.74 -0.79 1.92 3.08 -1.17 -2.34 114.38 116.91 1ba1 h ARG 269 Ca 0.36 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1ba1 h ARG 269 Cb 0.05 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1ba1 h ARG 269 CO -0.13 0.89 0.39 0.00 -1.07 0.00 0.00 179.97 180.05 1ba1 h ALA 270 N 0.82 1.21 -0.26 0.04 0.00 -0.37 -2.45 119.26 118.25 1ba1 h ALA 270 Ca 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ba1 h ALA 270 Cb 0.63 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ba1 h ALA 270 CO 0.04 0.62 0.05 -0.22 0.00 0.00 0.00 179.25 179.73 1ba1 h LYS 271 N 1.12 0.14 -0.56 0.00 3.64 -0.38 -0.94 116.57 119.58 1ba1 h LYS 271 Ca 0.27 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1ba1 h LYS 271 Cb 0.09 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1ba1 h LYS 271 CO -0.04 0.09 0.35 0.00 -2.27 0.00 0.00 179.45 177.58 1ba1 h ARG 272 N 0.14 0.67 -0.83 1.90 3.08 -1.08 -2.03 114.38 116.24 1ba1 h ARG 272 Ca 0.12 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1ba1 h ARG 272 Cb 0.12 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1ba1 h ARG 272 CO -0.16 0.44 0.54 1.15 -1.07 0.00 0.00 179.97 180.88 1ba1 h THR 273 N 0.69 1.13 0.00 2.04 2.02 -0.96 -1.49 112.91 116.34 1ba1 h THR 273 Ca 0.22 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ba1 h THR 273 Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1ba1 h THR 273 CO -0.09 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.17 1ba1 n LEU 274 N -4.45 0.37 0.18 2.58 4.77 -0.41 -0.45 117.00 119.59 1ba1 n LEU 274 Ca 0.11 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.84 1ba1 n LEU 274 Cb 0.11 -0.61 0.27 0.00 -2.33 0.00 0.00 43.42 40.86 1ba1 n LEU 274 CO 0.35 -0.59 0.84 0.28 -1.33 0.00 0.00 177.39 176.94 1ba1 h SER 275 N 0.00 0.00 0.00 -1.43 0.02 -1.18 -3.35 113.55 107.61 1ba1 h SER 275 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1ba1 h SER 275 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1ba1 h SER 275 CO 0.00 0.00 -1.40 -1.20 -1.14 0.00 0.00 176.83 173.09 1ba1 n SER 276 N -2.78 3.55 -4.53 3.07 7.64 -0.39 -4.70 113.62 115.47 1ba1 n SER 276 Ca 0.04 -0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.67 1ba1 n SER 276 Cb 0.48 0.60 -0.10 0.00 -1.01 0.00 0.00 64.21 64.18 1ba1 n SER 276 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ba1 s SER 277 N -3.78 3.55 0.00 6.43 0.01 0.40 -5.04 113.70 115.27 1ba1 s SER 277 Ca -0.03 -1.20 0.25 0.00 1.31 0.00 0.00 55.95 56.27 1ba1 s SER 277 Cb 0.02 -0.32 0.68 0.00 0.21 0.00 0.00 66.02 66.61 1ba1 s SER 277 CO 0.24 -0.24 1.53 0.35 0.41 0.00 0.00 173.24 175.53 1ba1 n THR 278 N -0.76 0.11 -3.65 1.44 -2.24 -1.26 -4.19 114.28 103.73 1ba1 n THR 278 Ca -0.05 -0.40 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 1ba1 n THR 278 Cb 0.64 0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 1ba1 n THR 278 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ba1 s GLN 279 N -1.89 0.90 -0.02 -0.78 0.74 -1.26 -0.38 119.66 116.96 1ba1 s GLN 279 Ca 0.34 -0.20 -0.05 0.00 0.05 0.00 0.00 55.36 55.51 1ba1 s GLN 279 Cb 0.20 0.41 0.01 0.00 1.10 0.00 0.00 33.01 34.72 1ba1 s GLN 279 CO 0.31 -0.29 0.11 0.00 -0.55 0.00 0.00 175.29 174.86 1ba1 s ALA 280 N -1.96 -0.26 -0.14 1.58 0.00 -0.08 -4.75 121.76 116.15 1ba1 s ALA 280 Ca -0.08 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1ba1 s ALA 280 Cb -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1ba1 s ALA 280 CO 0.02 -0.11 0.07 -1.12 0.00 0.00 0.00 175.76 174.61 1ba1 s SER 281 N -0.50 5.72 -0.20 0.00 0.01 -1.26 -1.14 113.70 116.33 1ba1 s SER 281 Ca -0.06 0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.38 1ba1 s SER 281 Cb -0.04 -1.85 -0.00 0.00 0.21 0.00 0.00 66.02 64.34 1ba1 s SER 281 CO 0.00 0.29 -0.09 -0.63 0.41 0.00 0.00 173.24 173.22 1ba1 s ILE 282 N -0.35 3.01 -0.25 1.44 1.01 0.91 -4.90 121.20 122.07 1ba1 s ILE 282 Ca 0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 1ba1 s ILE 282 Cb -0.12 -2.33 0.08 0.00 0.01 0.00 0.00 42.46 40.10 1ba1 s ILE 282 CO 0.02 0.47 0.07 -1.61 0.00 0.00 0.00 174.94 173.88 1ba1 s GLU 283 N 1.25 0.63 -0.18 2.79 2.02 -1.26 -0.08 118.70 123.87 1ba1 s GLU 283 Ca 0.03 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 1ba1 s GLU 283 Cb -0.14 -1.95 -0.00 0.00 0.10 0.00 0.00 34.13 32.13 1ba1 s GLU 283 CO -0.04 -0.81 -0.11 0.42 0.02 0.00 0.00 175.26 174.74 1ba1 s ILE 284 N 1.80 2.96 -0.04 -1.63 1.01 0.73 -4.98 121.20 121.05 1ba1 s ILE 284 Ca 0.04 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 1ba1 s ILE 284 Cb -0.17 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1ba1 s ILE 284 CO -0.18 0.48 0.92 -1.81 0.00 0.00 0.00 174.94 174.35 1ba1 s ASP 285 N 1.05 7.25 -1.08 3.58 1.01 -1.26 0.26 116.67 127.47 1ba1 s ASP 285 Ca -0.00 1.51 -0.22 0.00 0.71 0.00 0.00 52.55 54.55 1ba1 s ASP 285 Cb -0.15 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1ba1 s ASP 285 CO -0.02 -0.27 0.69 -1.20 0.21 0.00 0.00 175.17 174.58 1ba1 n SER 286 N 4.14 -4.74 -0.18 0.27 7.64 -1.23 -4.88 113.62 114.65 1ba1 n SER 286 Ca 0.05 -1.11 -0.07 0.00 1.01 0.00 0.00 58.87 58.75 1ba1 n SER 286 Cb 0.51 -2.20 0.08 0.00 -1.01 0.00 0.00 64.21 61.58 1ba1 n SER 286 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ba1 h LEU 287 N -1.79 0.95 -7.16 -3.43 5.85 0.22 -3.41 115.31 106.53 1ba1 h LEU 287 Ca -0.66 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 57.71 1ba1 h LEU 287 Cb 1.38 -0.25 -0.27 0.00 0.37 0.00 0.00 40.66 41.89 1ba1 h LEU 287 CO 0.46 1.00 -0.32 -0.47 -0.34 0.00 0.00 178.44 178.78 1ba1 s TYR 288 N -5.03 -0.72 -1.57 1.25 5.04 -1.18 -4.56 117.35 110.58 1ba1 s TYR 288 Ca -0.11 1.44 -0.15 0.00 -2.44 0.00 0.00 57.07 55.82 1ba1 s TYR 288 Cb 0.14 0.30 0.10 0.00 0.35 0.00 0.00 41.96 42.86 1ba1 s TYR 288 CO 0.84 -0.42 0.91 0.39 -1.34 0.00 0.00 175.55 175.93 1ba1 n GLU 289 N 4.81 -4.83 -0.99 4.97 1.02 -1.26 -0.63 120.64 123.73 1ba1 n GLU 289 Ca -0.16 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1ba1 n GLU 289 Cb 0.53 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.56 1ba1 n GLU 289 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ba1 n GLY 290 N -1.59 0.47 3.63 0.62 0.00 -1.26 -5.01 105.19 102.04 1ba1 n GLY 290 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1ba1 n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba1 s ILE 291 N -2.01 5.10 0.55 -0.61 1.01 0.19 -4.51 121.20 120.92 1ba1 s ILE 291 Ca 0.00 0.83 -0.18 0.00 0.00 0.00 0.00 60.65 61.30 1ba1 s ILE 291 Cb 0.00 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1ba1 s ILE 291 CO 0.00 0.12 1.07 -1.81 0.00 0.00 0.00 174.94 174.33 1ba1 s ASP 292 N 1.46 5.92 -0.35 3.58 1.01 -1.26 0.80 116.67 127.82 1ba1 s ASP 292 Ca 0.20 1.96 0.01 0.00 0.71 0.00 0.00 52.55 55.43 1ba1 s ASP 292 Cb -0.16 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.33 1ba1 s ASP 292 CO 0.09 -1.08 0.12 0.12 0.21 0.00 0.00 175.17 174.64 1ba1 s PHE 293 N -2.11 2.17 -0.22 4.23 5.36 0.14 -4.82 117.98 122.74 1ba1 s PHE 293 Ca 0.67 -2.15 -0.03 0.00 -0.96 0.00 0.00 56.93 54.46 1ba1 s PHE 293 Cb -0.18 -2.00 -0.00 0.00 -0.34 0.00 0.00 43.02 40.50 1ba1 s PHE 293 CO 0.29 -0.87 -0.05 0.71 -1.46 0.00 0.00 175.22 173.84 1ba1 s TYR 294 N 1.17 2.95 0.00 10.12 1.51 -1.26 -0.20 117.35 131.64 1ba1 s TYR 294 Ca 0.12 -1.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 1ba1 s TYR 294 Cb -0.19 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.56 1ba1 s TYR 294 CO -0.16 -0.58 0.00 -2.37 -1.11 0.00 0.00 175.55 171.33 1ba1 n THR 295 N 4.78 0.00 -3.97 -0.71 5.66 0.88 -5.00 114.28 115.92 1ba1 n THR 295 Ca -0.18 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 1ba1 n THR 295 Cb 0.50 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.26 1ba1 n THR 295 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ba1 s SER 296 N -0.43 0.18 -0.16 1.09 1.04 -1.26 -0.06 113.70 114.10 1ba1 s SER 296 Ca 0.00 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.18 1ba1 s SER 296 Cb 0.00 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.85 1ba1 s SER 296 CO 0.00 -1.33 0.45 -0.51 0.98 0.00 0.00 173.24 172.83 1ba1 s ILE 297 N -3.37 0.00 0.42 -1.02 2.07 -0.29 -4.92 121.20 114.08 1ba1 s ILE 297 Ca 0.22 -0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.43 1ba1 s ILE 297 Cb -0.02 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 1ba1 s ILE 297 CO 0.12 -0.01 0.65 0.42 -1.91 0.00 0.00 174.94 174.21 1ba1 s THR 298 N 0.16 4.62 0.21 4.00 -4.23 -1.26 -0.90 115.64 118.24 1ba1 s THR 298 Ca -0.01 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.09 1ba1 s THR 298 Cb -0.03 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 70.24 1ba1 s THR 298 CO 0.01 -0.53 1.76 -0.09 -0.54 0.00 0.00 174.62 175.23 1ba1 h ARG 299 N 0.50 1.15 -0.50 3.99 2.43 -1.01 -1.53 114.38 119.41 1ba1 h ARG 299 Ca -0.48 -0.24 0.03 0.00 -0.81 0.00 0.00 59.98 58.49 1ba1 h ARG 299 Cb 1.23 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 1ba1 h ARG 299 CO 0.60 0.97 0.27 0.00 -1.51 0.00 0.00 179.97 180.30 1ba1 h ALA 300 N 1.15 0.64 -0.39 2.80 0.00 -1.95 0.92 119.26 122.44 1ba1 h ALA 300 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1ba1 h ALA 300 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ba1 h ALA 300 CO -0.01 -0.05 0.07 -0.09 0.00 0.00 0.00 179.25 179.17 1ba1 h ARG 301 N 0.54 0.64 -0.99 0.00 9.65 -1.88 -1.48 114.38 120.86 1ba1 h ARG 301 Ca 0.21 -0.17 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1ba1 h ARG 301 Cb 0.08 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.53 1ba1 h ARG 301 CO -0.12 0.69 0.65 0.35 2.80 0.00 0.00 179.97 184.34 1ba1 h PHE 302 N 0.49 1.23 -0.53 2.20 3.57 -0.79 -0.26 116.94 122.86 1ba1 h PHE 302 Ca 0.12 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1ba1 h PHE 302 Cb 0.35 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1ba1 h PHE 302 CO 0.02 0.73 -0.02 0.93 -2.23 0.00 0.00 178.31 177.74 1ba1 h GLU 303 N 1.28 0.95 -0.22 1.11 5.08 -0.55 -2.77 114.58 119.46 1ba1 h GLU 303 Ca 0.39 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ba1 h GLU 303 Cb -0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1ba1 h GLU 303 CO -0.11 0.97 0.08 1.49 -1.00 0.00 0.00 179.01 180.44 1ba1 h GLU 304 N 0.82 0.33 -0.29 2.33 4.81 -0.59 0.36 114.58 122.35 1ba1 h GLU 304 Ca 0.15 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1ba1 h GLU 304 Cb 0.56 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1ba1 h GLU 304 CO 0.03 0.40 0.25 -0.07 -0.73 0.00 0.00 179.01 178.89 1ba1 h LEU 305 N 0.19 0.00 -2.71 1.64 3.38 -0.98 -2.55 115.31 114.28 1ba1 h LEU 305 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ba1 h LEU 305 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ba1 h LEU 305 CO -0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1ba1 n ASN 306 N -4.08 2.27 -0.29 -0.43 4.13 -0.96 -4.84 115.26 111.05 1ba1 n ASN 306 Ca 0.04 -1.89 0.00 0.00 1.68 0.00 0.00 54.58 54.41 1ba1 n ASN 306 Cb 0.41 -0.09 0.07 0.00 -1.54 0.00 0.00 39.78 38.63 1ba1 n ASN 306 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ba1 h ALA 307 N 0.90 0.32 -0.59 5.41 0.00 0.16 -0.78 119.26 124.68 1ba1 h ALA 307 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ba1 h ALA 307 Cb 0.55 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1ba1 h ALA 307 CO 0.00 -0.51 0.29 0.38 0.00 0.00 0.00 179.25 179.41 1ba1 h ASP 308 N -0.04 0.76 -0.46 0.00 2.03 -1.87 -0.79 116.42 116.05 1ba1 h ASP 308 Ca 0.35 -0.12 -0.06 0.00 -0.73 0.00 0.00 57.03 56.47 1ba1 h ASP 308 Cb 0.59 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.88 1ba1 h ASP 308 CO -0.85 0.66 0.07 -0.07 -1.03 0.00 0.00 179.24 178.03 1ba1 h LEU 309 N 0.80 0.74 0.20 0.15 3.38 -1.62 -0.27 115.31 118.69 1ba1 h LEU 309 Ca 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ba1 h LEU 309 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ba1 h LEU 309 CO -0.03 0.82 -0.10 -0.26 0.09 0.00 0.00 178.44 178.96 1ba1 h PHE 310 N 0.64 -0.25 -0.64 1.13 0.04 -1.04 -2.78 116.94 114.04 1ba1 h PHE 310 Ca 0.14 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.93 1ba1 h PHE 310 Cb 0.40 0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 1ba1 h PHE 310 CO 0.03 -0.07 0.42 -0.09 -0.60 0.00 0.00 178.31 178.00 1ba1 h ARG 311 N -0.38 0.74 0.00 1.51 2.43 -1.07 -2.38 114.38 115.23 1ba1 h ARG 311 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ba1 h ARG 311 Cb 0.29 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1ba1 h ARG 311 CO 0.05 0.49 0.00 0.78 -1.51 0.00 0.00 179.97 179.78 1ba1 h GLY 312 N 0.76 0.00 2.00 2.80 0.00 -0.75 -2.57 103.07 105.31 1ba1 h GLY 312 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1ba1 h GLY 312 CO -0.07 0.00 -0.03 -0.91 0.00 0.00 0.00 176.54 175.53 1ba1 h THR 313 N 0.00 0.11 0.00 4.70 1.35 -1.39 -2.69 112.91 115.00 1ba1 h THR 313 Ca 0.00 -0.43 -0.05 0.00 -0.55 0.00 0.00 66.41 65.38 1ba1 h THR 313 Cb 0.18 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1ba1 h THR 313 CO 0.00 0.03 -0.24 -0.07 -0.25 0.00 0.00 175.52 174.99 1ba1 h LEU 314 N 0.00 0.00 -0.00 3.87 3.38 -1.66 -3.26 115.31 117.64 1ba1 h LEU 314 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ba1 h LEU 314 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ba1 h LEU 314 CO 0.00 0.24 0.00 0.44 0.09 0.00 0.00 178.44 179.21 1ba1 h ASP 315 N 0.00 0.00 0.18 -0.43 3.32 -1.68 -1.54 116.42 116.28 1ba1 h ASP 315 Ca -0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1ba1 h ASP 315 Cb 0.91 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1ba1 h ASP 315 CO 0.03 0.09 -0.13 -0.65 -1.72 0.00 0.00 179.24 176.86 1ba1 h PRO 316 N -0.08 0.00 -0.25 3.56 0.11 -1.73 -0.48 132.00 133.13 1ba1 h PRO 316 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1ba1 h PRO 316 Cb 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1ba1 h PRO 316 CO -0.00 0.13 0.01 0.28 -0.21 0.00 0.00 178.00 178.21 1ba1 h VAL 317 N 0.00 1.25 -0.64 3.15 2.07 -1.48 0.56 116.25 121.15 1ba1 h VAL 317 Ca -0.00 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1ba1 h VAL 317 Cb 0.25 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1ba1 h VAL 317 CO 0.02 0.27 0.08 -0.33 0.02 0.00 0.00 177.57 177.63 1ba1 h GLU 318 N 0.23 1.07 -0.37 1.57 5.08 -0.73 -2.08 114.58 119.34 1ba1 h GLU 318 Ca 0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1ba1 h GLU 318 Cb 0.39 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ba1 h GLU 318 CO 0.01 0.99 0.11 -0.22 -1.00 0.00 0.00 179.01 178.90 1ba1 h LYS 319 N 0.99 0.58 -0.79 2.33 3.64 -0.89 -1.53 116.57 120.89 1ba1 h LYS 319 Ca 0.19 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1ba1 h LYS 319 Cb 0.46 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1ba1 h LYS 319 CO 0.02 0.59 0.52 0.00 -2.27 0.00 0.00 179.45 178.31 1ba1 h ALA 320 N 0.96 1.02 -0.22 5.00 0.00 -0.76 -0.17 119.26 125.08 1ba1 h ALA 320 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ba1 h ALA 320 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ba1 h ALA 320 CO -0.00 0.40 0.14 -0.07 0.00 0.00 0.00 179.25 179.71 1ba1 h LEU 321 N 1.06 0.26 -0.41 0.00 3.38 -1.13 0.22 115.31 118.69 1ba1 h LEU 321 Ca 0.30 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1ba1 h LEU 321 Cb -0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ba1 h LEU 321 CO -0.07 0.20 0.18 0.03 0.09 0.00 0.00 178.44 178.87 1ba1 h ARG 322 N 0.29 0.60 -0.34 1.13 3.08 -0.82 -0.59 114.38 117.72 1ba1 h ARG 322 Ca 0.08 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1ba1 h ARG 322 Cb -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1ba1 h ARG 322 CO -0.02 0.54 0.11 -0.44 -1.07 0.00 0.00 179.97 179.09 1ba1 h ASP 323 N 0.52 0.44 0.53 7.04 3.32 -0.84 -0.35 116.42 127.08 1ba1 h ASP 323 Ca 0.14 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ba1 h ASP 323 Cb 0.15 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ba1 h ASP 323 CO -0.01 0.43 -0.06 0.00 -1.72 0.00 0.00 179.24 177.88 1ba1 n ALA 324 N -2.48 2.61 -3.52 3.45 0.00 0.05 -4.89 120.51 115.74 1ba1 n ALA 324 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 1ba1 n ALA 324 Cb 0.16 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.27 1ba1 n ALA 324 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ba1 n LYS 325 N -1.20 -7.36 -4.16 0.00 5.02 -0.14 -5.01 118.16 105.32 1ba1 n LYS 325 Ca 0.13 0.83 -0.18 0.00 -2.02 0.00 0.00 58.31 57.08 1ba1 n LYS 325 Cb 0.26 -5.85 -0.12 0.00 -0.02 0.00 0.00 35.03 29.31 1ba1 n LYS 325 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ba1 s LEU 326 N -6.86 2.27 0.30 -0.35 1.43 -0.37 -5.03 118.68 110.07 1ba1 s LEU 326 Ca 0.34 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1ba1 s LEU 326 Cb -0.15 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1ba1 s LEU 326 CO 0.72 -0.09 0.51 -0.62 0.23 0.00 0.00 176.35 177.10 1ba1 s ASP 327 N -1.71 6.35 0.22 2.29 -1.08 -1.26 -4.31 116.67 117.17 1ba1 s ASP 327 Ca -0.03 0.49 -0.13 0.00 -0.52 0.00 0.00 52.55 52.36 1ba1 s ASP 327 Cb -0.10 -2.05 0.27 0.00 -1.46 0.00 0.00 42.92 39.58 1ba1 s ASP 327 CO 0.02 -0.21 1.61 0.11 0.52 0.00 0.00 175.17 177.21 1ba1 h LYS 328 N 1.26 -0.02 0.00 4.34 1.57 -1.97 -0.43 116.57 121.32 1ba1 h LYS 328 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1ba1 h LYS 328 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1ba1 h LYS 328 CO 0.64 -0.01 0.10 0.66 -0.57 0.00 0.00 179.45 180.27 1ba1 h SER 329 N -0.02 0.00 0.44 0.86 4.64 -1.96 -1.90 113.55 115.61 1ba1 h SER 329 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1ba1 h SER 329 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1ba1 h SER 329 CO -0.74 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.08 1ba1 n GLN 330 N -2.70 0.55 -2.83 4.77 6.02 -0.17 -4.76 117.38 118.26 1ba1 n GLN 330 Ca -0.02 -0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.35 1ba1 n GLN 330 Cb 0.15 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 1ba1 n GLN 330 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ba1 s ILE 331 N -2.58 4.74 0.08 5.09 -1.09 -0.72 -4.43 121.20 122.29 1ba1 s ILE 331 Ca 0.25 1.56 0.05 0.00 -2.23 0.00 0.00 60.65 60.28 1ba1 s ILE 331 Cb 0.20 -4.21 -0.23 0.00 -1.58 0.00 0.00 42.46 36.64 1ba1 s ILE 331 CO 0.50 -0.22 1.15 0.45 -1.23 0.00 0.00 174.94 175.60 1ba1 h HIS 332 N 7.85 0.11 -3.41 3.97 3.86 -0.87 -3.47 115.15 123.19 1ba1 h HIS 332 Ca -0.22 -0.08 -0.18 0.00 -1.16 0.00 0.00 60.37 58.73 1ba1 h HIS 332 Cb 1.08 -0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.30 1ba1 h HIS 332 CO 0.77 1.07 -0.53 -0.51 0.86 0.00 0.00 177.93 179.59 1ba1 s ASP 333 N -6.72 -0.11 -0.19 2.45 1.11 -1.21 -5.05 116.67 106.97 1ba1 s ASP 333 Ca -0.01 0.17 -0.00 0.00 0.18 0.00 0.00 52.55 52.88 1ba1 s ASP 333 Cb 0.09 0.28 0.01 0.00 1.07 0.00 0.00 42.92 44.37 1ba1 s ASP 333 CO 0.83 -0.13 -0.16 -0.63 1.18 0.00 0.00 175.17 176.26 1ba1 s ILE 334 N -0.30 2.42 -0.19 0.77 1.01 -1.26 -0.88 121.20 122.77 1ba1 s ILE 334 Ca -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1ba1 s ILE 334 Cb -0.03 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1ba1 s ILE 334 CO 0.00 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.70 1ba1 s VAL 335 N 1.29 3.30 -0.08 2.92 1.01 -0.05 -0.12 120.40 128.67 1ba1 s VAL 335 Ca 0.04 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1ba1 s VAL 335 Cb -0.14 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1ba1 s VAL 335 CO -0.09 0.46 0.76 -0.76 0.00 0.00 0.00 175.10 175.47 1ba1 s LEU 336 N 1.10 4.29 0.04 3.92 1.43 -0.84 -1.20 118.68 127.42 1ba1 s LEU 336 Ca 0.01 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1ba1 s LEU 336 Cb -0.15 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 1ba1 s LEU 336 CO -0.01 -0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 175.60 1ba1 s VAL 337 N 1.13 0.57 0.00 -1.59 1.01 -0.12 -4.54 120.40 116.87 1ba1 s VAL 337 Ca 0.39 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ba1 s VAL 337 Cb -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1ba1 s VAL 337 CO 0.18 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1ba1 n GLY 338 N 1.60 1.35 0.35 4.51 0.00 -0.60 -1.38 105.19 111.02 1ba1 n GLY 338 Ca -0.22 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.42 1ba1 n GLY 338 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ba1 h GLY 339 N 0.00 0.44 2.00 -0.02 0.00 -1.82 -1.77 103.07 101.90 1ba1 h GLY 339 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ba1 h GLY 339 CO 0.00 0.08 0.00 1.76 0.00 0.00 0.00 176.54 178.38 1ba1 h SER 340 N 0.32 0.00 0.19 0.19 0.02 -1.54 -2.70 113.55 110.03 1ba1 h SER 340 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1ba1 h SER 340 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1ba1 h SER 340 CO -0.06 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 175.98 1ba1 n THR 341 N -2.96 0.13 0.68 -2.27 -2.24 -0.67 -2.20 114.28 104.77 1ba1 n THR 341 Ca -0.00 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1ba1 n THR 341 Cb 0.24 -0.66 0.46 0.00 -2.10 0.00 0.00 70.33 68.27 1ba1 n THR 341 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ba1 n ARG 342 N -1.13 0.18 -1.99 -0.78 1.74 -1.02 -4.58 116.66 109.08 1ba1 n ARG 342 Ca 0.15 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.99 1ba1 n ARG 342 Cb 0.13 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 1ba1 n ARG 342 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ba1 s ILE 343 N -3.10 3.54 0.28 0.55 1.01 -0.93 -4.83 121.20 117.72 1ba1 s ILE 343 Ca 0.11 0.64 0.02 0.00 0.00 0.00 0.00 60.65 61.42 1ba1 s ILE 343 Cb 0.13 -3.46 0.27 0.00 0.01 0.00 0.00 42.46 39.42 1ba1 s ILE 343 CO 0.54 -0.10 1.73 -0.65 0.00 0.00 0.00 174.94 176.46 1ba1 h PRO 344 N 10.13 0.50 -0.63 2.79 0.11 -1.86 -1.61 132.00 141.42 1ba1 h PRO 344 Ca -0.39 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1ba1 h PRO 344 Cb 1.18 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1ba1 h PRO 344 CO 0.96 0.33 0.21 -0.22 -0.21 0.00 0.00 178.00 179.08 1ba1 h LYS 345 N 0.52 0.95 -0.40 1.05 1.63 -1.97 -0.55 116.57 117.81 1ba1 h LYS 345 Ca 0.52 -0.18 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1ba1 h LYS 345 Cb 0.88 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1ba1 h LYS 345 CO -0.45 0.81 0.06 0.82 -3.45 0.00 0.00 179.45 177.24 1ba1 h ILE 346 N 0.93 1.24 -0.86 2.00 1.08 -1.66 -0.65 117.51 119.59 1ba1 h ILE 346 Ca 0.21 -0.87 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1ba1 h ILE 346 Cb 0.25 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 1ba1 h ILE 346 CO -0.01 0.30 0.44 1.56 -0.69 0.00 0.00 178.15 179.75 1ba1 h GLN 347 N 0.51 1.22 0.01 2.37 4.20 -1.06 -1.53 115.11 120.82 1ba1 h GLN 347 Ca 0.12 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1ba1 h GLN 347 Cb 0.37 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1ba1 h GLN 347 CO 0.01 0.91 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.85 1ba1 h LYS 348 N 1.21 -0.02 -0.36 1.46 3.64 -0.82 -0.97 116.57 120.72 1ba1 h LYS 348 Ca 0.30 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 1ba1 h LYS 348 Cb 0.07 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1ba1 h LYS 348 CO -0.04 0.14 0.05 -0.07 -2.27 0.00 0.00 179.45 177.26 1ba1 h LEU 349 N -0.17 -0.04 -0.33 5.20 3.38 -0.85 0.87 115.31 123.36 1ba1 h LEU 349 Ca -0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1ba1 h LEU 349 Cb 0.16 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ba1 h LEU 349 CO 0.00 0.02 0.01 0.25 0.09 0.00 0.00 178.44 178.81 1ba1 h LEU 350 N 0.16 0.57 -0.37 1.67 5.85 -1.23 -0.80 115.31 121.16 1ba1 h LEU 350 Ca 0.17 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1ba1 h LEU 350 Cb 0.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1ba1 h LEU 350 CO -0.25 0.73 0.09 -0.61 -0.34 0.00 0.00 178.44 178.06 1ba1 h GLN 351 N 0.39 0.59 -0.44 1.25 4.15 -0.94 -1.32 115.11 118.78 1ba1 h GLN 351 Ca 0.10 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.41 1ba1 h GLN 351 Cb 0.43 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1ba1 h GLN 351 CO 0.02 0.63 0.22 -0.44 -1.93 0.00 0.00 178.83 177.32 1ba1 h ASP 352 N 0.44 0.31 -0.91 -0.69 3.32 -0.79 -0.06 116.42 118.05 1ba1 h ASP 352 Ca 0.12 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.27 1ba1 h ASP 352 Cb 0.30 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 1ba1 h ASP 352 CO 0.00 0.22 0.59 0.15 -1.72 0.00 0.00 179.24 178.48 1ba1 h PHE 353 N 0.43 1.03 -0.48 4.55 3.57 -0.81 0.22 116.94 125.45 1ba1 h PHE 353 Ca 0.19 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 1ba1 h PHE 353 Cb 0.11 -0.33 -0.10 0.00 2.79 0.00 0.00 35.95 38.41 1ba1 h PHE 353 CO -0.11 0.51 0.21 1.19 -2.23 0.00 0.00 178.31 177.89 1ba1 n PHE 354 N -4.51 1.58 -3.97 0.41 3.72 -0.49 -4.92 117.46 109.30 1ba1 n PHE 354 Ca 0.14 -0.91 -0.27 0.00 -0.05 0.00 0.00 57.45 56.37 1ba1 n PHE 354 Cb 0.24 -0.52 -0.01 0.00 -0.94 0.00 0.00 39.48 38.24 1ba1 n PHE 354 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ba1 n ASN 355 N -0.09 -1.03 0.00 4.37 3.02 0.07 -2.19 115.26 119.41 1ba1 n ASN 355 Ca 0.27 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1ba1 n ASN 355 Cb 1.03 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 37.05 1ba1 n ASN 355 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ba1 n GLY 356 N -1.86 0.84 3.77 7.41 0.00 -0.16 -5.01 105.19 110.19 1ba1 n GLY 356 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1ba1 n GLY 356 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ba1 s LYS 357 N -0.31 4.14 0.45 1.61 2.20 -0.93 -4.95 119.74 121.96 1ba1 s LYS 357 Ca 0.00 2.53 -0.24 0.00 -0.36 0.00 0.00 55.97 57.90 1ba1 s LYS 357 Cb 0.00 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.25 1ba1 s LYS 357 CO 0.00 -0.51 1.24 -1.21 -0.36 0.00 0.00 175.35 174.51 1ba1 s GLU 358 N -1.75 3.77 -0.07 4.03 0.41 -1.26 -4.79 118.70 119.04 1ba1 s GLU 358 Ca 0.54 1.98 -0.04 0.00 -0.41 0.00 0.00 54.97 57.05 1ba1 s GLU 358 Cb -0.46 -2.54 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 1ba1 s GLU 358 CO 0.59 -0.60 0.09 -0.51 -0.49 0.00 0.00 175.26 174.34 1ba1 s LEU 359 N -2.83 4.05 -0.61 1.80 1.43 -1.26 -4.49 118.68 116.77 1ba1 s LEU 359 Ca 0.62 0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.76 1ba1 s LEU 359 Cb -0.34 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 43.82 1ba1 s LEU 359 CO 0.42 0.35 1.06 0.20 0.23 0.00 0.00 176.35 178.61 1ba1 s ASN 360 N -1.25 6.30 0.00 2.29 0.02 0.83 -4.78 114.94 118.35 1ba1 s ASN 360 Ca 0.18 -0.41 0.09 0.00 -1.02 0.00 0.00 52.86 51.71 1ba1 s ASN 360 Cb -0.12 -2.48 0.16 0.00 0.02 0.00 0.00 41.25 38.83 1ba1 s ASN 360 CO 0.07 -1.43 1.04 2.29 0.02 0.00 0.00 177.10 179.09 1ba1 n LYS 361 N 8.04 0.00 0.14 -0.60 2.85 -1.26 -1.98 118.16 125.35 1ba1 n LYS 361 Ca 0.02 -1.31 0.00 0.00 -1.05 0.00 0.00 58.31 55.97 1ba1 n LYS 361 Cb 0.48 -0.26 0.15 0.00 -0.65 0.00 0.00 35.03 34.74 1ba1 n LYS 361 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ba1 h SER 362 N 0.36 0.00 -3.36 -5.58 4.64 -1.96 -3.42 113.55 104.23 1ba1 h SER 362 Ca -0.10 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.63 1ba1 h SER 362 Cb 1.56 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.56 1ba1 h SER 362 CO 0.03 0.61 -0.21 -0.63 -0.87 0.00 0.00 176.83 175.75 1ba1 s ILE 363 N -3.37 5.23 -0.44 0.95 1.01 -1.26 -4.99 121.20 118.33 1ba1 s ILE 363 Ca 0.00 0.77 -0.45 0.00 0.00 0.00 0.00 60.65 60.97 1ba1 s ILE 363 Cb 0.11 -3.74 -0.19 0.00 0.01 0.00 0.00 42.46 38.66 1ba1 s ILE 363 CO 0.75 0.32 1.69 -3.20 0.00 0.00 0.00 174.94 174.51 1ba1 n ASN 364 N 3.87 1.51 -0.31 3.58 5.15 -1.26 -4.75 115.26 123.04 1ba1 n ASN 364 Ca -0.09 1.10 0.14 0.00 -0.60 0.00 0.00 54.58 55.13 1ba1 n ASN 364 Cb 0.51 -0.96 0.32 0.00 -0.53 0.00 0.00 39.78 39.12 1ba1 n ASN 364 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ba1 h PRO 365 N 6.06 0.44 0.00 1.20 0.11 -1.84 0.20 132.00 138.17 1ba1 h PRO 365 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ba1 h PRO 365 Cb 1.36 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ba1 h PRO 365 CO 0.99 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.66 1ba1 n ASP 366 N -5.00 0.00 -0.00 -2.05 5.68 -1.26 -1.56 116.55 112.36 1ba1 n ASP 366 Ca 0.23 -0.82 0.03 0.00 -0.50 0.00 0.00 54.79 53.72 1ba1 n ASP 366 Cb 0.66 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.60 1ba1 n ASP 366 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ba1 n GLU 367 N -0.99 3.09 -0.27 0.11 1.02 0.66 -4.75 120.64 119.51 1ba1 n GLU 367 Ca 0.19 -0.02 0.05 0.00 -0.02 0.00 0.00 57.16 57.36 1ba1 n GLU 367 Cb 0.09 -0.94 0.20 0.00 -0.02 0.00 0.00 31.44 30.76 1ba1 n GLU 367 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ba1 h ALA 368 N 0.79 1.15 -0.11 0.62 0.00 -1.33 -0.09 119.26 120.28 1ba1 h ALA 368 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ba1 h ALA 368 Cb 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ba1 h ALA 368 CO 0.00 -0.13 0.03 0.28 0.00 0.00 0.00 179.25 179.43 1ba1 h VAL 369 N 0.55 1.19 -0.69 0.00 2.07 -1.85 -1.37 116.25 116.14 1ba1 h VAL 369 Ca 0.43 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1ba1 h VAL 369 Cb 0.60 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1ba1 h VAL 369 CO -0.36 0.17 0.25 0.00 0.02 0.00 0.00 177.57 177.65 1ba1 h ALA 370 N 0.84 1.15 0.17 1.67 0.00 -1.79 -0.58 119.26 120.73 1ba1 h ALA 370 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ba1 h ALA 370 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ba1 h ALA 370 CO -0.00 0.60 -0.23 -0.92 0.00 0.00 0.00 179.25 178.70 1ba1 h TYR 371 N 1.00 -0.61 -0.63 0.00 5.03 -0.83 0.89 116.97 121.82 1ba1 h TYR 371 Ca 0.23 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 1ba1 h TYR 371 Cb 0.22 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 1ba1 h TYR 371 CO 0.02 -0.34 0.14 0.78 -1.32 0.00 0.00 178.16 177.44 1ba1 h GLY 372 N -0.46 1.07 1.12 1.82 0.00 -1.05 -2.36 103.07 103.21 1ba1 h GLY 372 Ca 0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1ba1 h GLY 372 CO -0.09 0.61 0.48 0.00 0.00 0.00 0.00 176.54 177.54 1ba1 h ALA 373 N 1.20 1.26 -0.52 3.60 0.00 -0.65 -0.96 119.26 123.19 1ba1 h ALA 373 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ba1 h ALA 373 Cb 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ba1 h ALA 373 CO 0.00 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.89 1ba1 h ALA 374 N 1.36 0.70 0.02 0.00 0.00 -0.48 0.37 119.26 121.22 1ba1 h ALA 374 Ca 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ba1 h ALA 374 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ba1 h ALA 374 CO -0.05 0.50 -0.01 0.28 0.00 0.00 0.00 179.25 179.97 1ba1 h VAL 375 N 0.78 1.02 -0.60 0.00 2.07 -0.98 -1.37 116.25 117.17 1ba1 h VAL 375 Ca 0.15 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1ba1 h VAL 375 Cb 0.50 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1ba1 h VAL 375 CO 0.02 0.03 0.26 -0.61 0.02 0.00 0.00 177.57 177.30 1ba1 h GLN 376 N -0.07 0.85 -0.56 1.57 5.75 -1.05 -1.48 115.11 120.11 1ba1 h GLN 376 Ca -0.00 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1ba1 h GLN 376 Cb 0.07 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1ba1 h GLN 376 CO 0.00 0.68 0.29 0.00 -2.65 0.00 0.00 178.83 177.15 1ba1 h ALA 377 N 1.44 0.73 -0.50 3.38 0.00 -0.60 -0.24 119.26 123.48 1ba1 h ALA 377 Ca 0.21 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ba1 h ALA 377 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ba1 h ALA 377 CO -0.02 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1ba1 h ALA 378 N 1.12 1.07 -0.61 0.00 0.00 -0.65 -1.56 119.26 118.63 1ba1 h ALA 378 Ca 0.20 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1ba1 h ALA 378 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ba1 h ALA 378 CO -0.03 0.59 0.02 0.82 0.00 0.00 0.00 179.25 180.65 1ba1 h ILE 379 N 0.77 1.27 0.00 0.00 2.04 -0.75 -2.68 117.51 118.15 1ba1 h ILE 379 Ca 0.15 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1ba1 h ILE 379 Cb 0.47 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1ba1 h ILE 379 CO 0.02 0.41 0.00 0.18 0.00 0.00 0.00 178.15 178.76 1ba1 n LEU 380 N -4.20 0.00 -0.14 1.44 4.77 -0.15 -5.10 117.00 113.62 1ba1 n LEU 380 Ca 0.03 0.45 0.15 0.00 -0.03 0.00 0.00 56.01 56.61 1ba1 n LEU 380 Cb 0.34 -0.45 0.83 0.00 -2.33 0.00 0.00 43.42 41.81 1ba1 n LEU 380 CO 0.44 -0.03 1.04 -1.20 -1.33 0.00 0.00 177.39 176.31