#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x32 s HIS -1 N 0.00 0.25 0.33 1.57 4.02 -1.26 -5.14 115.29 115.06 2x32 s HIS -1 Ca 0.00 -0.26 -0.29 0.00 1.02 0.00 0.00 55.06 55.54 2x32 s HIS -1 Cb 0.00 -0.16 -0.12 0.00 -1.02 0.00 0.00 32.58 31.27 2x32 s HIS -1 CO 0.00 -0.08 1.35 1.58 1.02 0.00 0.00 174.74 178.62 2x32 n HIS 0 N 2.35 2.41 -3.53 1.40 -0.00 -1.26 -4.90 115.22 111.69 2x32 n HIS 0 Ca -0.18 0.50 -0.37 0.00 -0.00 0.00 0.00 57.72 57.68 2x32 n HIS 0 Cb 0.57 -2.45 -0.07 0.00 -0.00 0.00 0.00 29.99 28.04 2x32 n HIS 0 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2x32 s LEU 1 N -0.99 4.21 0.19 0.27 1.43 -1.26 -1.94 118.68 120.59 2x32 s LEU 1 Ca 0.57 0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2x32 s LEU 1 Cb -0.56 -2.36 0.12 0.00 0.03 0.00 0.00 46.19 43.42 2x32 s LEU 1 CO 0.60 0.06 1.54 0.00 0.23 0.00 0.00 176.35 178.78 2x32 h ALA 2 N 6.92 0.74 -2.71 4.21 0.00 -1.10 -3.44 119.26 123.87 2x32 h ALA 2 Ca -0.40 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 53.92 2x32 h ALA 2 Cb 1.16 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 2x32 h ALA 2 CO 0.74 0.66 -0.46 0.71 0.00 0.00 0.00 179.25 180.90 2x32 s TYR 3 N -4.24 0.02 0.01 0.00 2.02 -0.99 -4.14 117.35 110.03 2x32 s TYR 3 Ca -0.08 -0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.56 2x32 s TYR 3 Cb 0.12 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.61 2x32 s TYR 3 CO 0.84 -0.31 -0.17 -1.12 -1.57 0.00 0.00 175.55 173.23 2x32 s SER 4 N -1.45 3.87 0.08 2.29 0.01 0.29 -0.49 113.70 118.30 2x32 s SER 4 Ca -0.14 -0.35 -0.31 0.00 1.31 0.00 0.00 55.95 56.46 2x32 s SER 4 Cb -0.07 -0.68 -0.08 0.00 0.21 0.00 0.00 66.02 65.40 2x32 s SER 4 CO 0.01 0.28 1.48 -0.22 0.41 0.00 0.00 173.24 175.21 2x32 s LEU 5 N -1.23 4.36 -0.90 2.44 2.96 -0.49 -0.88 118.68 124.94 2x32 s LEU 5 Ca 0.14 2.36 -0.25 0.00 -0.22 0.00 0.00 54.13 56.16 2x32 s LEU 5 Cb -0.11 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.04 2x32 s LEU 5 CO 0.04 -0.75 1.48 -0.62 -1.32 0.00 0.00 176.35 175.18 2x32 s ASP 6 N 1.60 6.18 0.13 3.68 -1.08 0.52 -4.69 116.67 123.00 2x32 s ASP 6 Ca 0.67 -0.97 -0.14 0.00 -0.52 0.00 0.00 52.55 51.60 2x32 s ASP 6 Cb -0.37 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.51 2x32 s ASP 6 CO 0.30 -1.79 1.58 0.00 0.52 0.00 0.00 175.17 175.78 2x32 h ALA 7 N 10.33 0.57 0.00 3.66 0.00 -1.85 -2.37 119.26 129.60 2x32 h ALA 7 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2x32 h ALA 7 Cb 1.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2x32 h ALA 7 CO 1.35 0.35 -0.10 1.79 0.00 0.00 0.00 179.25 182.64 2x32 h THR 8 N 0.58 0.23 0.00 0.00 1.35 -1.89 -2.78 112.91 110.41 2x32 h THR 8 Ca 0.12 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2x32 h THR 8 Cb 0.48 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2x32 h THR 8 CO 0.02 0.10 -0.87 0.00 -0.25 0.00 0.00 175.52 174.52 2x32 h ALA 9 N 1.90 0.56 -2.42 6.62 0.00 -1.87 -3.47 119.26 120.58 2x32 h ALA 9 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2x32 h ALA 9 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2x32 h ALA 9 CO 0.01 0.00 -0.05 -1.12 0.00 0.00 0.00 179.25 178.09 2x32 s SER 10 N -5.39 6.54 0.03 0.00 0.01 -0.93 -4.83 113.70 109.14 2x32 s SER 10 Ca 0.01 0.92 -0.07 0.00 1.31 0.00 0.00 55.95 58.12 2x32 s SER 10 Cb 0.09 -2.23 -0.00 0.00 0.21 0.00 0.00 66.02 64.09 2x32 s SER 10 CO 0.77 -0.21 0.13 0.72 0.41 0.00 0.00 173.24 175.07 2x32 s PHE 11 N -2.07 0.12 -0.04 2.43 -0.12 -0.32 -4.96 117.98 113.02 2x32 s PHE 11 Ca 0.47 -0.36 -0.02 0.00 -0.05 0.00 0.00 56.93 56.98 2x32 s PHE 11 Cb -0.11 -0.09 0.03 0.00 -0.63 0.00 0.00 43.02 42.23 2x32 s PHE 11 CO 0.27 -0.37 0.08 -1.17 -0.05 0.00 0.00 175.22 173.98 2x32 s LEU 12 N -1.96 0.53 0.11 -1.99 0.20 -1.26 -1.71 118.68 112.59 2x32 s LEU 12 Ca -0.07 0.14 0.08 0.00 0.69 0.00 0.00 54.13 54.98 2x32 s LEU 12 Cb -0.02 0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.73 2x32 s LEU 12 CO -0.03 -0.19 -0.17 0.20 -0.29 0.00 0.00 176.35 175.87 2x32 s ASN 13 N 1.64 3.95 0.01 3.68 0.01 0.07 -2.74 114.94 121.56 2x32 s ASN 13 Ca -0.03 -0.52 -0.01 0.00 -0.71 0.00 0.00 52.86 51.59 2x32 s ASN 13 Cb -0.12 -0.59 -0.01 0.00 0.41 0.00 0.00 41.25 40.93 2x32 s ASN 13 CO -0.04 0.19 0.00 0.72 -1.51 0.00 0.00 177.10 176.46 2x32 s PHE 14 N -1.13 0.19 -0.17 2.20 -0.12 -0.27 -1.66 117.98 117.01 2x32 s PHE 14 Ca 0.18 -0.38 -0.00 0.00 -0.05 0.00 0.00 56.93 56.67 2x32 s PHE 14 Cb -0.11 -0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.14 2x32 s PHE 14 CO 0.10 -0.18 -0.14 0.08 -0.05 0.00 0.00 175.22 175.03 2x32 s VAL 15 N -1.22 2.69 0.30 -2.49 1.01 -0.32 -0.16 120.40 120.21 2x32 s VAL 15 Ca -0.13 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2x32 s VAL 15 Cb -0.08 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2x32 s VAL 15 CO -0.00 0.50 0.55 -0.94 0.00 0.00 0.00 175.10 175.21 2x32 s SER 16 N 1.01 6.41 -0.05 3.32 1.04 -0.11 -3.85 113.70 121.47 2x32 s SER 16 Ca -0.01 0.66 0.02 0.00 0.48 0.00 0.00 55.95 57.10 2x32 s SER 16 Cb -0.15 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.86 2x32 s SER 16 CO -0.03 -0.22 -0.11 -0.55 0.98 0.00 0.00 173.24 173.31 2x32 s SER 17 N -3.36 1.57 0.03 7.02 0.15 -1.26 -1.22 113.70 116.63 2x32 s SER 17 Ca 0.43 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.84 2x32 s SER 17 Cb -0.10 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 2x32 s SER 17 CO 0.32 0.05 -0.06 -1.59 1.20 0.00 0.00 173.24 173.16 2x32 s LYS 18 N 0.47 0.43 6.12 5.44 -2.85 -0.48 -0.35 119.74 128.53 2x32 s LYS 18 Ca -0.10 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2x32 s LYS 18 Cb -0.13 -0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.51 2x32 s LYS 18 CO 0.02 0.01 0.00 1.63 0.10 0.00 0.00 175.35 177.11 2x32 n LYS 19 N 1.55 0.00 -2.08 1.78 5.02 -0.46 -1.55 118.16 122.42 2x32 n LYS 19 Ca -0.23 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.66 2x32 n LYS 19 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.54 2x32 n LYS 19 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2x32 n THR 20 N 0.00 3.13 -4.14 -0.18 -2.24 -1.26 -4.49 114.28 105.10 2x32 n THR 20 Ca 0.00 -3.07 -0.32 0.00 -2.27 0.00 0.00 64.05 58.39 2x32 n THR 20 Cb 0.00 -2.37 -0.03 0.00 -2.10 0.00 0.00 70.33 65.83 2x32 n THR 20 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2x32 n HIS 21 N 8.96 -1.65 -2.97 4.78 -0.00 -1.25 -4.91 115.22 118.18 2x32 n HIS 21 Ca 0.49 0.76 -0.41 0.00 0.46 0.00 0.00 57.72 59.02 2x32 n HIS 21 Cb 0.44 -3.21 -0.05 0.00 -0.12 0.00 0.00 29.99 27.04 2x32 n HIS 21 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2x32 s VAL 22 N -3.65 4.89 -0.13 3.57 1.01 -0.60 -4.87 120.40 120.63 2x32 s VAL 22 Ca 0.40 1.41 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 2x32 s VAL 22 Cb -0.22 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2x32 s VAL 22 CO 0.92 -0.03 0.12 -0.76 0.00 0.00 0.00 175.10 175.35 2x32 s LEU 23 N 2.66 4.25 -0.02 3.92 1.02 -1.26 -1.38 118.68 127.87 2x32 s LEU 23 Ca 0.32 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.86 2x32 s LEU 23 Cb -0.15 -2.04 0.01 0.00 0.02 0.00 0.00 46.19 44.03 2x32 s LEU 23 CO 0.08 0.37 -0.02 -1.61 0.02 0.00 0.00 176.35 175.19 2x32 s GLU 24 N -0.78 0.35 -0.19 1.70 2.02 -0.36 -4.99 118.70 116.46 2x32 s GLU 24 Ca 0.13 -0.03 -0.14 0.00 0.02 0.00 0.00 54.97 54.95 2x32 s GLU 24 Cb -0.12 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.64 2x32 s GLU 24 CO 0.03 -0.04 0.32 0.99 0.02 0.00 0.00 175.26 176.58 2x32 s THR 25 N 0.52 5.27 0.36 3.63 2.01 -1.26 -0.93 115.64 125.24 2x32 s THR 25 Ca -0.05 0.56 0.09 0.00 0.31 0.00 0.00 61.69 62.59 2x32 s THR 25 Cb -0.08 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2x32 s THR 25 CO -0.01 0.33 0.02 -1.00 -0.69 0.00 0.00 174.62 173.27 2x32 s HIS 26 N 0.90 2.53 0.28 4.92 0.09 0.77 -4.96 115.29 119.83 2x32 s HIS 26 Ca 0.16 -0.49 -0.05 0.00 -0.00 0.00 0.00 55.06 54.68 2x32 s HIS 26 Cb -0.14 -1.57 -0.01 0.00 -0.00 0.00 0.00 32.58 30.86 2x32 s HIS 26 CO 0.06 0.45 0.39 -0.98 -0.00 0.00 0.00 174.74 174.66 2x32 s ARG 27 N -3.72 1.64 -0.17 1.40 3.03 -0.65 -1.11 118.95 119.36 2x32 s ARG 27 Ca 0.35 -1.58 -0.00 0.00 2.03 0.00 0.00 55.73 56.53 2x32 s ARG 27 Cb 0.02 0.41 0.00 0.00 -1.03 0.00 0.00 34.95 34.35 2x32 s ARG 27 CO 0.19 -0.65 -0.14 -0.06 -1.13 0.00 0.00 175.30 173.51 2x32 s PHE 28 N -3.62 2.81 -0.22 5.89 0.08 -1.11 -0.44 117.98 121.37 2x32 s PHE 28 Ca 0.30 -1.11 0.24 0.00 0.12 0.00 0.00 56.93 56.49 2x32 s PHE 28 Cb 0.01 -1.92 0.59 0.00 -0.57 0.00 0.00 43.02 41.13 2x32 s PHE 28 CO 0.15 -0.53 1.69 -0.44 -0.10 0.00 0.00 175.22 175.99 2x32 h ASP 29 N 7.50 0.00 -3.36 1.36 3.32 -1.50 -3.43 116.42 120.32 2x32 h ASP 29 Ca -0.36 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.10 2x32 h ASP 29 Cb 1.18 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.36 2x32 h ASP 29 CO 0.58 0.10 -0.80 -0.69 -1.72 0.00 0.00 179.24 176.71 2x32 s VAL 30 N -3.32 1.41 0.10 -1.35 1.01 -1.26 -5.01 120.40 111.98 2x32 s VAL 30 Ca 0.05 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2x32 s VAL 30 Cb 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2x32 s VAL 30 CO 0.65 0.18 -0.21 -0.76 0.00 0.00 0.00 175.10 174.96 2x32 s LEU 31 N 1.50 2.29 0.25 3.92 1.43 -1.26 -1.86 118.68 124.96 2x32 s LEU 31 Ca 0.00 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2x32 s LEU 31 Cb -0.15 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2x32 s LEU 31 CO -0.08 0.07 0.19 -0.94 0.23 0.00 0.00 176.35 175.82 2x32 s SER 32 N -1.88 0.75 0.00 2.29 1.04 -0.06 -4.66 113.70 111.19 2x32 s SER 32 Ca 0.07 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2x32 s SER 32 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2x32 s SER 32 CO 0.04 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2x32 n GLY 33 N -0.41 -1.78 0.00 7.32 0.00 -1.26 -0.08 105.19 108.98 2x32 n GLY 33 Ca 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2x32 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x32 n GLY 34 N -0.26 -0.13 2.96 -0.02 0.00 -0.92 -1.39 105.19 105.41 2x32 n GLY 34 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 2x32 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x32 s ILE 35 N -2.00 1.15 0.68 -0.61 1.01 0.35 -0.58 121.20 121.20 2x32 s ILE 35 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 2x32 s ILE 35 Cb 0.00 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.35 2x32 s ILE 35 CO 0.00 0.38 1.07 -0.94 0.00 0.00 0.00 174.94 175.45 2x32 s SER 36 N 1.40 5.34 0.42 3.58 1.04 -0.06 -0.66 113.70 124.75 2x32 s SER 36 Ca -0.00 1.72 0.29 0.00 0.48 0.00 0.00 55.95 58.44 2x32 s SER 36 Cb -0.13 -2.51 1.40 0.00 0.10 0.00 0.00 66.02 64.87 2x32 s SER 36 CO -0.05 -1.47 1.88 0.71 0.98 0.00 0.00 173.24 175.28 2x32 h THR 37 N -0.44 0.00 0.00 2.02 1.35 -1.72 -1.08 112.91 113.05 2x32 h THR 37 Ca -0.45 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2x32 h THR 37 Cb 1.22 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2x32 h THR 37 CO 0.56 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 2x32 n ALA 38 N -1.90 2.45 -0.91 6.62 0.00 -1.26 -4.93 120.51 120.58 2x32 n ALA 38 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2x32 n ALA 38 Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2x32 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x32 n GLY 39 N 1.17 1.07 3.52 0.00 0.00 -0.41 -4.88 105.19 105.67 2x32 n GLY 39 Ca 0.14 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2x32 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x32 s GLU 40 N -2.20 3.41 0.09 1.61 2.12 -1.26 0.43 118.70 122.90 2x32 s GLU 40 Ca 0.00 -0.56 -0.17 0.00 0.36 0.00 0.00 54.97 54.61 2x32 s GLU 40 Cb 0.00 -3.85 -0.07 0.00 0.26 0.00 0.00 34.13 30.47 2x32 s GLU 40 CO 0.00 -0.61 0.53 0.00 -0.54 0.00 0.00 175.26 174.64 2x32 s ALA 41 N 2.00 3.61 0.02 6.30 0.00 0.51 -0.88 121.76 133.31 2x32 s ALA 41 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2x32 s ALA 41 Cb -0.17 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 2x32 s ALA 41 CO 0.12 0.44 -0.07 -1.14 0.00 0.00 0.00 175.76 175.11 2x32 s GLN 42 N -1.42 0.49 -0.09 0.00 0.74 0.25 -0.85 119.66 118.78 2x32 s GLN 42 Ca 0.31 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.29 2x32 s GLN 42 Cb -0.17 -0.38 0.02 0.00 1.10 0.00 0.00 33.01 33.58 2x32 s GLN 42 CO 0.18 0.09 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.74 2x32 s LEU 43 N -0.75 1.43 -0.21 3.68 2.96 -0.29 -2.17 118.68 123.33 2x32 s LEU 43 Ca -0.03 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2x32 s LEU 43 Cb -0.05 -0.85 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 2x32 s LEU 43 CO 0.00 -0.04 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 2x32 s VAL 44 N 1.21 3.18 -0.32 1.68 1.01 0.88 0.07 120.40 128.11 2x32 s VAL 44 Ca -0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 2x32 s VAL 44 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2x32 s VAL 44 CO -0.03 0.44 0.17 -0.63 0.00 0.00 0.00 175.10 175.05 2x32 s ILE 45 N 1.45 4.69 -0.59 2.22 1.01 0.52 -0.88 121.20 129.63 2x32 s ILE 45 Ca 0.06 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.02 2x32 s ILE 45 Cb -0.14 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2x32 s ILE 45 CO -0.05 0.04 1.28 -0.62 0.00 0.00 0.00 174.94 175.60 2x32 s ASP 46 N 1.63 6.31 0.54 3.58 2.15 -0.78 -0.93 116.67 129.17 2x32 s ASP 46 Ca 0.05 0.12 0.33 0.00 0.43 0.00 0.00 52.55 53.47 2x32 s ASP 46 Cb -0.17 -2.55 1.34 0.00 -0.30 0.00 0.00 42.92 41.24 2x32 s ASP 46 CO 0.07 -1.60 1.98 -0.07 -0.17 0.00 0.00 175.17 175.38 2x32 h LEU 47 N 12.44 0.00 0.00 -1.34 3.38 -1.32 -0.64 115.31 127.83 2x32 h LEU 47 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2x32 h LEU 47 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2x32 h LEU 47 CO 1.19 0.03 0.00 0.59 0.09 0.00 0.00 178.44 180.34 2x32 n ASN 48 N -3.14 0.00 -1.44 -0.43 3.02 -1.25 -2.84 115.26 109.18 2x32 n ASN 48 Ca 0.00 0.45 0.09 0.00 -0.03 0.00 0.00 54.58 55.10 2x32 n ASN 48 Cb 0.31 -0.48 0.33 0.00 -0.61 0.00 0.00 39.78 39.33 2x32 n ASN 48 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2x32 n SER 49 N -1.48 4.24 -4.68 6.41 3.41 -0.25 -4.98 113.62 116.31 2x32 n SER 49 Ca 0.04 -2.30 -0.44 0.00 -0.26 0.00 0.00 58.87 55.92 2x32 n SER 49 Cb 0.17 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 2x32 n SER 49 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2x32 n VAL 50 N 1.18 1.42 -3.64 -3.33 3.14 -1.13 -1.29 118.33 114.68 2x32 n VAL 50 Ca 0.24 -0.35 -0.28 0.00 -2.96 0.00 0.00 64.34 60.98 2x32 n VAL 50 Cb 0.76 -1.48 -0.16 0.00 -1.06 0.00 0.00 33.84 31.91 2x32 n VAL 50 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2x32 s ASN 51 N 0.01 3.20 0.00 6.55 2.47 0.42 -4.88 114.94 122.71 2x32 s ASN 51 Ca 0.63 -1.08 0.13 0.00 0.42 0.00 0.00 52.86 52.95 2x32 s ASN 51 Cb -0.62 -0.49 0.11 0.00 -1.45 0.00 0.00 41.25 38.80 2x32 s ASN 51 CO 0.55 -0.38 0.92 0.35 -3.72 0.00 0.00 177.10 174.82 2x32 n THR 52 N 5.13 0.04 0.00 -5.21 -2.24 -1.26 -1.63 114.28 109.11 2x32 n THR 52 Ca -0.06 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2x32 n THR 52 Cb 0.45 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 2x32 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x32 n GLY 53 N 0.71 1.73 2.81 3.38 0.00 -1.26 -4.99 105.19 107.56 2x32 n GLY 53 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2x32 n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x32 s ILE 54 N -2.51 0.88 0.25 -0.61 1.01 -1.26 -5.04 121.20 113.92 2x32 s ILE 54 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 2x32 s ILE 54 Cb 0.00 -1.31 0.23 0.00 0.01 0.00 0.00 42.46 41.39 2x32 s ILE 54 CO 0.00 -0.18 1.80 -0.78 0.00 0.00 0.00 174.94 175.78 2x32 h ASP 55 N 8.14 0.68 -0.77 3.58 3.58 -1.99 0.19 116.42 129.83 2x32 h ASP 55 Ca -0.17 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.36 2x32 h ASP 55 Cb 1.10 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 42.04 2x32 h ASP 55 CO 0.37 0.36 0.51 0.58 -2.88 0.00 0.00 179.24 178.17 2x32 h VAL 56 N 0.78 1.16 -0.35 2.25 2.07 -1.99 -1.21 116.25 118.97 2x32 h VAL 56 Ca 0.43 -0.35 -0.17 0.00 0.82 0.00 0.00 66.70 67.43 2x32 h VAL 56 Cb 0.45 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2x32 h VAL 56 CO -0.28 0.18 -0.45 -0.09 0.02 0.00 0.00 177.57 176.96 2x32 h ARG 57 N 1.01 0.92 -0.56 1.57 2.43 -1.73 -0.90 114.38 117.13 2x32 h ARG 57 Ca 0.29 -0.52 0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2x32 h ARG 57 Cb -0.07 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.45 2x32 h ARG 57 CO -0.08 1.17 0.18 -0.91 -1.51 0.00 0.00 179.97 178.82 2x32 h ASN 58 N 0.73 0.15 -0.39 -3.80 2.35 -0.13 -0.26 115.58 114.23 2x32 h ASN 58 Ca 0.04 0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2x32 h ASN 58 Cb 1.05 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 2x32 h ASN 58 CO 0.11 0.10 -0.15 1.23 -1.65 0.00 0.00 177.43 177.07 2x32 h GLY 59 N 0.35 0.93 1.02 2.83 0.00 -0.88 -0.27 103.07 107.06 2x32 h GLY 59 Ca 0.28 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2x32 h GLY 59 CO -0.30 0.69 0.50 3.21 0.00 0.00 0.00 176.54 180.64 2x32 h ARG 60 N 0.77 1.22 -0.13 4.80 3.08 -0.69 -0.42 114.38 123.01 2x32 h ARG 60 Ca 0.12 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2x32 h ARG 60 Cb 0.67 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2x32 h ARG 60 CO 0.05 0.88 0.08 0.52 -1.07 0.00 0.00 179.97 180.43 2x32 h MET 61 N 1.23 0.16 -0.23 0.04 2.86 -0.64 0.58 114.93 118.92 2x32 h MET 61 Ca 0.31 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 2x32 h MET 61 Cb -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2x32 h MET 61 CO -0.05 0.10 0.12 0.00 1.06 0.00 0.00 176.91 178.14 2x32 h ARG 62 N 0.16 0.33 0.24 1.72 3.08 -0.71 -0.50 114.38 118.70 2x32 h ARG 62 Ca 0.05 -0.04 -0.34 0.00 0.07 0.00 0.00 59.98 59.72 2x32 h ARG 62 Cb -0.01 -0.06 0.03 0.00 0.08 0.00 0.00 29.97 30.01 2x32 h ARG 62 CO -0.02 0.32 -1.50 -0.44 -1.07 0.00 0.00 179.97 177.26 2x32 h ASP 63 N 0.26 0.80 0.00 7.04 3.32 -0.97 0.14 116.42 127.01 2x32 h ASP 63 Ca 0.08 -0.88 -0.06 0.00 0.02 0.00 0.00 57.03 56.18 2x32 h ASP 63 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2x32 h ASP 63 CO -0.01 1.70 -1.54 -1.22 -1.72 0.00 0.00 179.24 176.45 2x32 n TYR 64 N -3.69 0.00 -0.00 4.55 4.01 0.18 -4.14 117.16 118.07 2x32 n TYR 64 Ca -0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2x32 n TYR 64 Cb 1.10 -0.32 -0.00 0.00 -0.31 0.00 0.00 39.34 39.81 2x32 n TYR 64 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2x32 n LEU 65 N -2.04 0.07 0.14 7.72 7.94 -0.95 -4.36 117.00 125.52 2x32 n LEU 65 Ca -0.07 0.13 0.02 0.00 -1.11 0.00 0.00 56.01 54.98 2x32 n LEU 65 Cb 0.47 -0.51 0.12 0.00 0.53 0.00 0.00 43.42 44.03 2x32 n LEU 65 CO 0.21 -0.49 0.49 -0.26 -1.11 0.00 0.00 177.39 176.22 2x32 h PHE 66 N -0.04 0.00 -5.57 1.96 0.04 -1.25 -3.45 116.94 108.62 2x32 h PHE 66 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2x32 h PHE 66 Cb 0.03 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.31 2x32 h PHE 66 CO -0.01 0.55 -0.67 0.39 -0.60 0.00 0.00 178.31 177.97 2x32 n GLU 67 N -3.39 -1.86 0.14 1.51 1.02 -0.12 -4.44 120.64 113.50 2x32 n GLU 67 Ca 0.01 0.96 0.13 0.00 -0.02 0.00 0.00 57.16 58.24 2x32 n GLU 67 Cb 0.68 -5.49 0.48 0.00 -0.02 0.00 0.00 31.44 27.09 2x32 n GLU 67 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2x32 h THR 68 N -0.80 0.00 0.00 2.62 1.35 -1.26 0.75 112.91 115.57 2x32 h THR 68 Ca -0.47 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.03 2x32 h THR 68 Cb 1.24 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2x32 h THR 68 CO 0.41 0.00 -0.12 0.00 -0.25 0.00 0.00 175.52 175.56 2x32 h ALA 69 N 2.31 1.58 0.00 6.62 0.00 -1.90 -3.09 119.26 124.78 2x32 h ALA 69 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.43 2x32 h ALA 69 Cb 0.49 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2x32 h ALA 69 CO 0.00 0.15 -2.41 2.41 0.00 0.00 0.00 179.25 179.40 2x32 n THR 70 N -4.08 1.42 -3.83 0.00 -1.04 -0.37 -4.84 114.28 101.55 2x32 n THR 70 Ca -0.02 -0.56 -0.29 0.00 -2.04 0.00 0.00 64.05 61.14 2x32 n THR 70 Cb 0.20 -1.35 -0.13 0.00 -1.82 0.00 0.00 70.33 67.24 2x32 n THR 70 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2x32 s TYR 71 N -2.50 2.86 0.17 -1.42 2.02 0.12 -4.97 117.35 113.63 2x32 s TYR 71 Ca -0.33 -2.99 0.07 0.00 -0.37 0.00 0.00 57.07 53.45 2x32 s TYR 71 Cb 0.09 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.24 2x32 s TYR 71 CO 0.58 -0.68 1.39 0.66 -1.57 0.00 0.00 175.55 175.92 2x32 h SER 72 N 6.06 0.04 -4.38 2.29 4.64 -1.81 -3.35 113.55 117.04 2x32 h SER 72 Ca 0.05 -0.04 -0.35 0.00 -0.47 0.00 0.00 61.79 60.98 2x32 h SER 72 Cb 0.85 -0.01 -0.19 0.00 -0.31 0.00 0.00 62.40 62.74 2x32 h SER 72 CO 0.62 0.90 -0.75 0.68 -0.87 0.00 0.00 176.83 177.41 2x32 s VAL 73 N -3.04 1.01 -0.08 0.95 -7.23 -1.26 -0.86 120.40 109.89 2x32 s VAL 73 Ca -0.00 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2x32 s VAL 73 Cb 0.11 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 2x32 s VAL 73 CO 0.81 -0.44 -0.05 0.00 -0.31 0.00 0.00 175.10 175.10 2x32 s ALA 74 N -2.03 3.04 -0.11 1.32 0.00 -0.10 -4.80 121.76 119.08 2x32 s ALA 74 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2x32 s ALA 74 Cb -0.05 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2x32 s ALA 74 CO 0.01 0.53 -0.16 0.99 0.00 0.00 0.00 175.76 177.13 2x32 s THR 75 N -0.68 1.56 -0.17 0.00 2.01 -0.58 -0.35 115.64 117.43 2x32 s THR 75 Ca 0.10 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 2x32 s THR 75 Cb -0.11 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2x32 s THR 75 CO 0.02 0.45 0.02 -0.69 -0.69 0.00 0.00 174.62 173.73 2x32 s VAL 76 N 0.93 4.40 -0.02 3.82 1.01 0.11 -0.46 120.40 130.19 2x32 s VAL 76 Ca -0.08 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2x32 s VAL 76 Cb -0.15 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2x32 s VAL 76 CO -0.01 0.48 -0.13 0.42 0.00 0.00 0.00 175.10 175.86 2x32 s THR 77 N 0.34 1.05 -0.15 3.92 -4.23 -0.45 -1.13 115.64 114.98 2x32 s THR 77 Ca 0.00 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 59.87 2x32 s THR 77 Cb -0.13 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 72.85 2x32 s THR 77 CO 0.01 0.31 0.39 0.54 -0.54 0.00 0.00 174.62 175.33 2x32 s VAL 78 N -0.04 -0.01 0.16 2.29 0.11 -0.03 -1.02 120.40 121.85 2x32 s VAL 78 Ca -0.00 0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 2x32 s VAL 78 Cb -0.08 -0.56 -0.07 0.00 -1.53 0.00 0.00 36.38 34.13 2x32 s VAL 78 CO 0.00 0.02 0.90 -2.16 -3.33 0.00 0.00 175.10 170.54 2x32 s PRO 79 N 0.84 4.71 0.17 1.54 0.04 -1.26 -0.37 135.00 140.68 2x32 s PRO 79 Ca -0.05 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.41 2x32 s PRO 79 Cb -0.06 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2x32 s PRO 79 CO -0.06 0.39 -0.09 0.14 0.04 0.00 0.00 177.00 177.41 2x32 s VAL 80 N -0.60 1.22 -0.64 -0.36 -7.23 0.17 -4.87 120.40 108.09 2x32 s VAL 80 Ca 0.42 -2.08 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 2x32 s VAL 80 Cb -0.24 -1.96 0.09 0.00 0.56 0.00 0.00 36.38 34.84 2x32 s VAL 80 CO 0.29 -0.66 0.83 -0.62 -0.31 0.00 0.00 175.10 174.63 2x32 s ASP 81 N -3.21 6.21 0.36 4.85 -1.08 -1.26 -4.55 116.67 117.98 2x32 s ASP 81 Ca 0.19 -1.32 0.08 0.00 -0.52 0.00 0.00 52.55 50.99 2x32 s ASP 81 Cb 0.03 -2.35 0.70 0.00 -1.46 0.00 0.00 42.92 39.83 2x32 s ASP 81 CO 0.03 -1.23 1.88 -0.07 0.52 0.00 0.00 175.17 176.30 2x32 h LEU 82 N 10.49 0.30 -0.56 -1.34 3.38 -1.92 -2.21 115.31 123.45 2x32 h LEU 82 Ca -0.26 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2x32 h LEU 82 Cb 1.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2x32 h LEU 82 CO 1.13 0.46 0.20 0.00 0.09 0.00 0.00 178.44 180.32 2x32 h ALA 83 N 1.58 0.73 -0.40 1.53 0.00 -1.98 0.24 119.26 120.96 2x32 h ALA 83 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2x32 h ALA 83 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2x32 h ALA 83 CO 0.02 0.37 -0.04 0.00 0.00 0.00 0.00 179.25 179.61 2x32 h ALA 84 N 1.05 1.19 -0.16 0.00 0.00 -1.88 -0.02 119.26 119.44 2x32 h ALA 84 Ca 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2x32 h ALA 84 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2x32 h ALA 84 CO -0.01 0.53 0.03 0.28 0.00 0.00 0.00 179.25 180.08 2x32 h VAL 85 N 0.62 1.22 -0.38 0.00 2.07 -1.19 -2.85 116.25 115.74 2x32 h VAL 85 Ca 0.12 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2x32 h VAL 85 Cb 0.45 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2x32 h VAL 85 CO 0.02 0.21 0.23 0.00 0.02 0.00 0.00 177.57 178.05 2x32 h ALA 86 N 0.82 1.68 0.00 1.67 0.00 -0.07 -2.28 119.26 121.09 2x32 h ALA 86 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x32 h ALA 86 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x32 h ALA 86 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2x32 n GLY 87 N -1.41 -1.45 3.67 0.00 0.00 -0.06 -4.83 105.19 101.10 2x32 n GLY 87 Ca 0.03 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2x32 n GLY 87 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x32 s LEU 88 N -3.40 4.29 0.58 0.99 2.96 -0.86 -4.98 118.68 118.25 2x32 s LEU 88 Ca 0.12 2.10 -0.19 0.00 -0.22 0.00 0.00 54.13 55.94 2x32 s LEU 88 Cb 0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2x32 s LEU 88 CO 0.50 -0.86 1.18 0.00 -1.32 0.00 0.00 176.35 175.85 2x32 s ALA 89 N 3.63 2.59 0.17 5.97 0.00 -1.26 -4.91 121.76 127.95 2x32 s ALA 89 Ca 0.68 0.93 -0.34 0.00 0.00 0.00 0.00 51.96 53.23 2x32 s ALA 89 Cb -0.31 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.26 2x32 s ALA 89 CO 0.26 -1.03 1.55 0.28 0.00 0.00 0.00 175.76 176.82 2x32 n VAL 90 N -1.52 0.12 0.00 0.00 0.31 -1.26 -1.28 118.33 114.70 2x32 n VAL 90 Ca 0.13 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2x32 n VAL 90 Cb 0.50 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 2x32 n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x32 n GLY 91 N 3.23 2.71 3.88 2.92 0.00 0.54 -5.01 105.19 113.46 2x32 n GLY 91 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2x32 n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x32 s GLU 92 N -0.41 3.80 0.43 1.61 0.41 -0.40 -4.80 118.70 119.33 2x32 s GLU 92 Ca 0.00 0.29 0.07 0.00 -0.41 0.00 0.00 54.97 54.92 2x32 s GLU 92 Cb 0.00 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 29.71 2x32 s GLU 92 CO 0.00 0.27 0.24 0.16 -0.49 0.00 0.00 175.26 175.43 2x32 s ASP 93 N -2.51 4.56 -0.08 -0.19 -4.77 -1.26 -1.66 116.67 110.76 2x32 s ASP 93 Ca 0.48 -1.05 -0.20 0.00 -3.30 0.00 0.00 52.55 48.48 2x32 s ASP 93 Cb -0.11 -0.37 0.04 0.00 -1.09 0.00 0.00 42.92 41.40 2x32 s ASP 93 CO 0.23 -0.64 0.47 0.00 0.70 0.00 0.00 175.17 175.93 2x32 s MET 94 N -3.99 0.74 -0.06 2.11 0.23 0.00 -4.99 119.30 113.34 2x32 s MET 94 Ca 0.41 0.23 -0.18 0.00 -1.03 0.00 0.00 55.69 55.12 2x32 s MET 94 Cb 0.02 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 33.61 2x32 s MET 94 CO 0.23 -0.18 0.48 -0.51 -2.03 0.00 0.00 175.02 173.01 2x32 s LEU 95 N -0.73 4.36 -0.15 0.18 1.43 -1.26 -0.97 118.68 121.53 2x32 s LEU 95 Ca -0.08 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 2x32 s LEU 95 Cb -0.03 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.50 2x32 s LEU 95 CO 0.04 0.11 -0.16 -0.69 0.23 0.00 0.00 176.35 175.89 2x32 s VAL 96 N -0.01 1.68 -0.05 -1.59 1.01 0.32 -4.98 120.40 116.78 2x32 s VAL 96 Ca 0.26 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 2x32 s VAL 96 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2x32 s VAL 96 CO 0.12 0.48 0.80 -1.81 0.00 0.00 0.00 175.10 174.69 2x32 s ASP 97 N 1.34 7.12 0.16 3.32 1.01 -1.26 -0.78 116.67 127.57 2x32 s ASP 97 Ca 0.03 1.35 0.06 0.00 0.71 0.00 0.00 52.55 54.70 2x32 s ASP 97 Cb -0.13 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2x32 s ASP 97 CO -0.09 -0.18 -0.14 0.68 0.21 0.00 0.00 175.17 175.65 2x32 s VAL 98 N 0.94 1.48 -0.29 -1.27 -7.23 -0.20 -4.99 120.40 108.84 2x32 s VAL 98 Ca 0.42 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2x32 s VAL 98 Cb -0.19 -1.78 0.08 0.00 0.56 0.00 0.00 36.38 35.05 2x32 s VAL 98 CO 0.21 -0.52 -0.04 -0.55 -0.31 0.00 0.00 175.10 173.89 2x32 s SER 99 N -2.86 4.55 -0.04 4.85 0.15 -1.26 -1.86 113.70 117.23 2x32 s SER 99 Ca 0.15 -1.71 -0.03 0.00 0.70 0.00 0.00 55.95 55.06 2x32 s SER 99 Cb -0.02 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.69 2x32 s SER 99 CO 0.04 -0.27 0.14 0.00 1.20 0.00 0.00 173.24 174.35 2x32 s ALA 100 N 1.04 3.83 -0.16 5.45 0.00 0.55 -4.52 121.76 127.95 2x32 s ALA 100 Ca -0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2x32 s ALA 100 Cb -0.20 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 2x32 s ALA 100 CO -0.07 0.70 0.22 0.95 0.00 0.00 0.00 175.76 177.56 2x32 s THR 101 N -1.21 5.36 -0.28 0.00 -4.23 -0.19 -0.32 115.64 114.77 2x32 s THR 101 Ca 0.23 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 2x32 s THR 101 Cb -0.12 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.22 2x32 s THR 101 CO 0.13 0.46 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.43 2x32 s LEU 102 N 0.10 3.67 -0.56 4.79 2.96 0.07 -1.34 118.68 128.37 2x32 s LEU 102 Ca 0.14 -1.13 -0.19 0.00 -0.22 0.00 0.00 54.13 52.73 2x32 s LEU 102 Cb -0.12 -1.70 0.09 0.00 0.50 0.00 0.00 46.19 44.96 2x32 s LEU 102 CO 0.02 -0.22 0.65 -0.62 -1.32 0.00 0.00 176.35 174.87 2x32 s ASP 103 N 1.28 6.19 -0.04 3.68 2.15 0.40 -0.18 116.67 130.15 2x32 s ASP 103 Ca -0.03 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.65 2x32 s ASP 103 Cb -0.19 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 2x32 s ASP 103 CO -0.02 -1.01 -0.02 -0.22 -0.17 0.00 0.00 175.17 173.74 2x32 s LEU 104 N 2.54 1.12 -1.46 -1.34 2.96 -0.93 -1.52 118.68 120.05 2x32 s LEU 104 Ca 0.12 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 2x32 s LEU 104 Cb -0.23 -0.35 0.04 0.00 0.50 0.00 0.00 46.19 46.16 2x32 s LEU 104 CO 0.08 -0.10 0.79 1.57 -1.32 0.00 0.00 176.35 177.37 2x32 n HIS 105 N 4.28 -2.20 -1.00 5.38 -0.00 -1.26 -1.89 115.22 118.53 2x32 n HIS 105 Ca -0.22 0.71 -0.00 0.00 -0.00 0.00 0.00 57.72 58.20 2x32 n HIS 105 Cb 0.50 -4.14 -0.00 0.00 -0.00 0.00 0.00 29.99 26.36 2x32 n HIS 105 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2x32 n GLY 106 N -1.59 0.43 3.17 1.57 0.00 -1.26 -4.83 105.19 102.68 2x32 n GLY 106 Ca -0.03 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2x32 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x32 s VAL 107 N -1.85 2.22 -0.26 1.61 1.01 -0.79 -5.09 120.40 117.24 2x32 s VAL 107 Ca 0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 2x32 s VAL 107 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2x32 s VAL 107 CO 0.00 0.53 0.65 -2.16 0.00 0.00 0.00 175.10 174.12 2x32 s PRO 108 N 1.05 4.07 0.24 2.72 0.04 -1.26 -2.20 135.00 139.66 2x32 s PRO 108 Ca -0.01 0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.62 2x32 s PRO 108 Cb -0.14 -3.67 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 2x32 s PRO 108 CO -0.06 -0.46 0.24 0.20 0.04 0.00 0.00 177.00 176.96 2x32 s GLY 109 N 1.50 1.37 -0.17 0.56 0.00 0.75 -4.94 107.32 106.39 2x32 s GLY 109 Ca 0.27 -1.35 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 2x32 s GLY 109 CO 0.09 -1.38 -0.14 0.14 0.00 0.00 0.00 173.10 171.82 2x32 s VAL 110 N -2.06 2.73 -0.25 1.40 1.01 -1.26 -0.75 120.40 121.21 2x32 s VAL 110 Ca 0.33 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2x32 s VAL 110 Cb -0.08 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.17 2x32 s VAL 110 CO 0.26 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 175.14 2x32 s ILE 111 N 1.03 2.47 -0.42 2.22 1.01 0.57 -4.97 121.20 123.10 2x32 s ILE 111 Ca -0.01 -1.36 -0.15 0.00 0.00 0.00 0.00 60.65 59.13 2x32 s ILE 111 Cb -0.15 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 40.01 2x32 s ILE 111 CO -0.03 0.08 0.33 -1.81 0.00 0.00 0.00 174.94 173.51 2x32 s ASP 112 N 1.21 6.12 0.31 3.58 1.01 -1.26 -0.33 116.67 127.31 2x32 s ASP 112 Ca -0.04 -0.96 -0.05 0.00 0.71 0.00 0.00 52.55 52.20 2x32 s ASP 112 Cb -0.18 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.58 2x32 s ASP 112 CO -0.05 -0.50 0.46 0.28 0.21 0.00 0.00 175.17 175.57 2x32 s THR 113 N 1.71 0.00 -0.11 -1.27 -1.32 -0.78 -5.00 115.64 108.88 2x32 s THR 113 Ca 0.05 -1.56 0.01 0.00 -1.21 0.00 0.00 61.69 58.99 2x32 s THR 113 Cb -0.20 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 2x32 s THR 113 CO 0.10 0.00 -0.14 -1.58 -2.21 0.00 0.00 174.62 170.79 2x32 s GLN 114 N -3.33 3.12 0.04 7.08 0.74 -1.26 -1.03 119.66 125.01 2x32 s GLN 114 Ca 0.29 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 55.04 2x32 s GLN 114 Cb -0.00 -2.55 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 2x32 s GLN 114 CO 0.17 0.34 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.70 2x32 s LEU 115 N 0.02 3.32 -0.21 3.68 1.43 0.04 -1.81 118.68 125.15 2x32 s LEU 115 Ca -0.04 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 2x32 s LEU 115 Cb -0.14 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2x32 s LEU 115 CO 0.04 0.24 0.29 0.21 0.23 0.00 0.00 176.35 177.36 2x32 s ASN 116 N -1.78 6.30 -0.18 2.29 3.84 0.13 -0.52 114.94 125.02 2x32 s ASN 116 Ca 0.20 0.34 0.00 0.00 0.21 0.00 0.00 52.86 53.62 2x32 s ASN 116 Cb -0.11 -2.17 0.01 0.00 -0.55 0.00 0.00 41.25 38.42 2x32 s ASN 116 CO 0.12 -0.00 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.57 2x32 s VAL 117 N 1.14 2.41 -0.05 -5.21 1.01 -0.15 -1.40 120.40 118.14 2x32 s VAL 117 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2x32 s VAL 117 Cb -0.14 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2x32 s VAL 117 CO 0.06 0.52 -0.18 -1.58 0.00 0.00 0.00 175.10 173.92 2x32 s GLN 118 N 1.18 1.92 -0.10 2.72 0.74 -0.18 -0.82 119.66 125.13 2x32 s GLN 118 Ca 0.02 -0.63 -0.25 0.00 0.05 0.00 0.00 55.36 54.54 2x32 s GLN 118 Cb -0.14 -1.64 -0.03 0.00 1.10 0.00 0.00 33.01 32.30 2x32 s GLN 118 CO -0.07 0.23 0.79 0.50 -0.55 0.00 0.00 175.29 176.18 2x32 s ARG 119 N 0.10 4.40 -0.17 1.67 3.52 -0.67 -0.72 118.95 127.09 2x32 s ARG 119 Ca -0.06 1.01 0.17 0.00 -0.13 0.00 0.00 55.73 56.72 2x32 s ARG 119 Cb -0.13 -3.50 -0.25 0.00 -1.56 0.00 0.00 34.95 29.52 2x32 s ARG 119 CO 0.03 -0.10 0.20 1.28 -0.81 0.00 0.00 175.30 175.90 2x32 n LEU 120 N 4.35 0.19 -3.92 -0.88 4.77 0.42 -0.34 117.00 121.59 2x32 n LEU 120 Ca 0.02 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2x32 n LEU 120 Cb 0.50 0.43 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2x32 n LEU 120 CO 0.48 0.48 0.39 -0.94 -1.33 0.00 0.00 177.39 176.46 2x32 s SER 121 N -5.62 0.43 0.64 -1.43 1.04 -0.97 -4.68 113.70 103.11 2x32 s SER 121 Ca -0.09 -1.34 0.37 0.00 0.48 0.00 0.00 55.95 55.38 2x32 s SER 121 Cb 0.06 0.79 2.11 0.00 0.10 0.00 0.00 66.02 69.09 2x32 s SER 121 CO 0.83 -1.57 2.28 0.00 0.98 0.00 0.00 173.24 175.75 2x32 h ALA 122 N 2.03 1.27 -0.00 5.32 0.00 -1.98 -2.95 119.26 122.94 2x32 h ALA 122 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2x32 h ALA 122 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2x32 h ALA 122 CO 0.41 -0.06 -0.02 0.25 0.00 0.00 0.00 179.25 179.83 2x32 n THR 123 N -3.38 0.00 -4.68 0.00 -2.24 -1.26 -4.98 114.28 97.73 2x32 n THR 123 Ca -0.02 -0.49 -0.24 0.00 -2.27 0.00 0.00 64.05 61.02 2x32 n THR 123 Cb 0.12 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.20 2x32 n THR 123 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2x32 s ARG 124 N -0.65 1.54 0.17 -0.78 3.52 -1.12 -0.44 118.95 121.18 2x32 s ARG 124 Ca 0.01 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.19 2x32 s ARG 124 Cb 0.01 -1.35 -0.04 0.00 -1.56 0.00 0.00 34.95 32.01 2x32 s ARG 124 CO 0.03 0.18 -0.17 0.96 -0.81 0.00 0.00 175.30 175.49 2x32 s ILE 125 N 0.15 1.78 -0.13 4.11 -4.36 -0.29 -0.43 121.20 122.03 2x32 s ILE 125 Ca -0.05 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 2x32 s ILE 125 Cb -0.11 -1.85 0.01 0.00 1.25 0.00 0.00 42.46 41.76 2x32 s ILE 125 CO 0.02 -0.36 -0.22 -0.32 0.24 0.00 0.00 174.94 174.29 2x32 s MET 126 N -2.91 3.02 -0.11 0.37 -2.45 0.10 -1.00 119.30 116.32 2x32 s MET 126 Ca 0.16 -0.86 0.03 0.00 -1.25 0.00 0.00 55.69 53.78 2x32 s MET 126 Cb -0.05 -2.40 0.00 0.00 1.25 0.00 0.00 34.83 33.63 2x32 s MET 126 CO 0.06 0.03 -0.23 0.08 1.05 0.00 0.00 175.02 176.01 2x32 s VAL 127 N 0.71 2.08 0.05 10.11 1.01 0.83 -1.01 120.40 134.19 2x32 s VAL 127 Ca -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2x32 s VAL 127 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2x32 s VAL 127 CO 0.00 0.56 -0.05 -1.10 0.00 0.00 0.00 175.10 174.51 2x32 s GLN 128 N 0.48 0.55 0.10 2.72 -0.21 -0.50 -0.63 119.66 122.18 2x32 s GLN 128 Ca -0.15 -0.95 -0.31 0.00 0.02 0.00 0.00 55.36 53.97 2x32 s GLN 128 Cb -0.17 -0.05 -0.07 0.00 1.00 0.00 0.00 33.01 33.71 2x32 s GLN 128 CO 0.06 -0.03 1.36 0.54 -2.12 0.00 0.00 175.29 175.10 2x32 s ASN 129 N -2.16 6.87 0.26 5.90 4.22 -1.24 -0.69 114.94 128.09 2x32 s ASN 129 Ca -0.03 2.26 0.06 0.00 -2.14 0.00 0.00 52.86 53.01 2x32 s ASN 129 Cb -0.03 -2.58 0.32 0.00 1.28 0.00 0.00 41.25 40.24 2x32 s ASN 129 CO -0.03 -0.63 1.61 -0.61 -2.04 0.00 0.00 177.10 175.39 2x32 h GLN 130 N 6.87 0.19 -4.96 3.55 5.75 -1.66 -3.45 115.11 121.40 2x32 h GLN 130 Ca -0.42 -0.12 -0.33 0.00 -0.15 0.00 0.00 58.65 57.63 2x32 h GLN 130 Cb 1.21 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.63 2x32 h GLN 130 CO 0.86 0.70 -0.67 -1.54 -2.65 0.00 0.00 178.83 175.53 2x32 s SER 131 N -6.89 1.56 0.14 -0.69 1.04 -1.26 -5.00 113.70 102.61 2x32 s SER 131 Ca -0.04 -1.16 -0.33 0.00 0.48 0.00 0.00 55.95 54.90 2x32 s SER 131 Cb 0.12 0.05 -0.17 0.00 0.10 0.00 0.00 66.02 66.13 2x32 s SER 131 CO 0.78 -0.50 1.07 -2.65 0.98 0.00 0.00 173.24 172.92 2x32 n PRO 132 N -0.30 0.81 -4.93 4.02 -0.02 -1.26 -4.96 135.00 128.35 2x32 n PRO 132 Ca -0.07 0.29 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 2x32 n PRO 132 Cb 0.63 -1.72 -0.17 0.00 -0.02 0.00 0.00 33.50 32.22 2x32 n PRO 132 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2x32 s LEU 133 N 0.85 1.89 -0.04 2.45 2.96 -1.25 -5.06 118.68 120.49 2x32 s LEU 133 Ca 0.75 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 2x32 s LEU 133 Cb -0.94 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2x32 s LEU 133 CO 0.53 0.10 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.66 2x32 s LEU 134 N 0.50 2.11 -0.12 -0.68 1.43 -1.26 -0.20 118.68 120.45 2x32 s LEU 134 Ca -0.17 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2x32 s LEU 134 Cb -0.17 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2x32 s LEU 134 CO 0.06 0.30 -0.07 -0.63 0.23 0.00 0.00 176.35 176.24 2x32 s ILE 135 N -0.46 3.61 -0.27 -0.59 -1.09 -0.04 -4.94 121.20 117.42 2x32 s ILE 135 Ca 0.05 -0.48 -0.12 0.00 -2.23 0.00 0.00 60.65 57.88 2x32 s ILE 135 Cb -0.11 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 2x32 s ILE 135 CO 0.01 0.53 0.23 -0.54 -1.23 0.00 0.00 174.94 173.94 2x32 s LYS 136 N 0.02 4.00 0.30 2.79 1.02 -1.26 -0.08 119.74 126.52 2x32 s LYS 136 Ca -0.01 -0.21 0.05 0.00 0.02 0.00 0.00 55.97 55.82 2x32 s LYS 136 Cb -0.14 -3.63 0.69 0.00 -0.52 0.00 0.00 37.83 34.23 2x32 s LYS 136 CO 0.03 -0.15 1.80 0.00 -0.92 0.00 0.00 175.35 176.11 2x32 h ALA 137 N 8.13 1.64 -0.29 5.17 0.00 -0.95 -0.98 119.26 131.99 2x32 h ALA 137 Ca -0.35 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.70 2x32 h ALA 137 Cb 1.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2x32 h ALA 137 CO 0.60 0.03 0.24 0.00 0.00 0.00 0.00 179.25 180.11 2x32 h ALA 138 N 1.61 2.13 0.00 0.00 0.00 -1.92 -1.11 119.26 119.98 2x32 h ALA 138 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2x32 h ALA 138 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2x32 h ALA 138 CO -0.34 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.28 2x32 n ASP 139 N -4.18 0.70 -0.19 0.00 8.00 -0.37 -2.83 116.55 117.68 2x32 n ASP 139 Ca 0.04 0.67 0.06 0.00 0.71 0.00 0.00 54.79 56.27 2x32 n ASP 139 Cb 0.39 -0.82 0.08 0.00 -0.02 0.00 0.00 41.12 40.76 2x32 n ASP 139 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2x32 n TYR 140 N -2.28 0.00 -3.44 1.24 4.01 -0.61 -4.86 117.16 111.22 2x32 n TYR 140 Ca 0.02 -0.63 -0.24 0.00 -0.16 0.00 0.00 57.90 56.89 2x32 n TYR 140 Cb 0.24 -0.11 0.05 0.00 -0.31 0.00 0.00 39.34 39.21 2x32 n TYR 140 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2x32 n SER 141 N -0.90 -5.98 -0.79 7.72 2.88 -1.05 -4.68 113.62 110.82 2x32 n SER 141 Ca 0.10 -0.48 0.09 0.00 -1.33 0.00 0.00 58.87 57.25 2x32 n SER 141 Cb 0.63 -4.76 0.10 0.00 -0.75 0.00 0.00 64.21 59.43 2x32 n SER 141 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2x32 n LEU 142 N -4.60 2.68 -0.23 2.46 4.77 -0.52 -4.57 117.00 117.00 2x32 n LEU 142 Ca -0.03 -1.13 -0.06 0.00 -0.03 0.00 0.00 56.01 54.77 2x32 n LEU 142 Cb 0.57 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.66 2x32 n LEU 142 CO 0.60 0.50 1.11 -0.33 -1.33 0.00 0.00 177.39 177.94 2x32 h GLU 143 N 3.63 0.88 -0.39 3.23 5.08 -1.91 -2.21 114.58 122.89 2x32 h GLU 143 Ca 0.00 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2x32 h GLU 143 Cb 0.79 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2x32 h GLU 143 CO 0.00 0.63 -0.13 0.00 -1.00 0.00 0.00 179.01 178.51 2x32 h ALA 144 N 1.20 1.04 -0.65 3.43 0.00 -1.96 -0.78 119.26 121.53 2x32 h ALA 144 Ca 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2x32 h ALA 144 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2x32 h ALA 144 CO -0.04 0.58 0.26 0.78 0.00 0.00 0.00 179.25 180.83 2x32 h GLY 145 N 0.97 1.05 1.01 0.00 0.00 -1.67 -0.25 103.07 104.19 2x32 h GLY 145 Ca 0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2x32 h GLY 145 CO 0.04 0.54 0.33 -2.22 0.00 0.00 0.00 176.54 175.24 2x32 h ILE 146 N 0.92 1.22 -0.82 2.60 2.04 -1.00 -1.90 117.51 120.58 2x32 h ILE 146 Ca 0.22 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2x32 h ILE 146 Cb 0.21 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2x32 h ILE 146 CO -0.02 0.26 0.46 -0.08 0.00 0.00 0.00 178.15 178.77 2x32 h GLU 147 N 0.94 1.13 -0.31 2.37 4.57 -0.66 -0.66 114.58 121.95 2x32 h GLU 147 Ca 0.23 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.33 2x32 h GLU 147 Cb 0.11 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2x32 h GLU 147 CO -0.03 0.82 0.08 1.15 -1.18 0.00 0.00 179.01 179.84 2x32 h THR 148 N 1.14 0.87 -0.88 0.32 2.02 -0.66 0.43 112.91 116.13 2x32 h THR 148 Ca 0.29 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 2x32 h THR 148 Cb 0.01 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2x32 h THR 148 CO -0.05 0.04 0.53 -0.07 0.37 0.00 0.00 175.52 176.34 2x32 h LEU 149 N 0.20 1.07 -0.10 2.58 3.38 -0.86 0.54 115.31 122.10 2x32 h LEU 149 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2x32 h LEU 149 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2x32 h LEU 149 CO -0.18 0.82 0.07 -0.09 0.09 0.00 0.00 178.44 179.15 2x32 h ARG 150 N 1.22 0.14 -0.28 1.13 2.43 -0.58 -2.25 114.38 116.19 2x32 h ARG 150 Ca 0.32 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2x32 h ARG 150 Cb -0.04 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2x32 h ARG 150 CO -0.06 0.12 0.14 -0.91 -1.51 0.00 0.00 179.97 177.75 2x32 h ASN 151 N 0.12 0.37 0.13 -3.80 -0.26 -0.58 -1.68 115.58 109.88 2x32 h ASN 151 Ca 0.04 -0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.63 2x32 h ASN 151 Cb 0.01 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.18 2x32 h ASN 151 CO -0.01 0.38 -0.13 -0.07 -1.06 0.00 0.00 177.43 176.54 2x32 h LEU 152 N 0.32 0.00 -1.03 1.61 3.38 -0.85 -2.84 115.31 115.91 2x32 h LEU 152 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2x32 h LEU 152 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2x32 h LEU 152 CO -0.01 0.13 -0.15 0.00 0.09 0.00 0.00 178.44 178.50 2x32 n ALA 153 N -2.51 2.86 -3.50 1.53 0.00 -0.85 -4.97 120.51 113.06 2x32 n ALA 153 Ca -0.03 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 2x32 n ALA 153 Cb 0.20 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.67 2x32 n ALA 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2x32 n SER 154 N 0.14 -5.62 -4.91 0.00 7.64 -0.68 -5.00 113.62 105.20 2x32 n SER 154 Ca 0.14 -0.52 -0.28 0.00 1.01 0.00 0.00 58.87 59.23 2x32 n SER 154 Cb 0.42 -4.48 -0.03 0.00 -1.01 0.00 0.00 64.21 59.11 2x32 n SER 154 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2x32 s LEU 155 N -7.05 4.01 0.02 -3.43 1.43 -0.90 -5.02 118.68 107.74 2x32 s LEU 155 Ca 0.51 0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 54.15 2x32 s LEU 155 Cb -0.24 -3.55 -0.31 0.00 0.03 0.00 0.00 46.19 42.12 2x32 s LEU 155 CO 0.63 -0.25 1.03 -0.55 0.23 0.00 0.00 176.35 177.44 2x32 h ASN 156 N 1.40 0.77 -4.17 2.29 -1.07 -1.94 -3.44 115.58 109.41 2x32 h ASN 156 Ca -0.48 -0.88 -0.08 0.00 0.07 0.00 0.00 56.30 54.94 2x32 h ASN 156 Cb 1.20 -0.24 -0.22 0.00 -2.07 0.00 0.00 38.32 36.98 2x32 h ASN 156 CO 0.65 1.57 -0.03 0.54 0.07 0.00 0.00 177.43 180.24 2x32 s VAL 157 N -2.77 0.00 -0.09 6.14 0.11 -1.26 -5.03 120.40 117.51 2x32 s VAL 157 Ca -0.10 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2x32 s VAL 157 Cb 0.04 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2x32 s VAL 157 CO 0.91 -0.02 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.88 2x32 s ILE 158 N -0.03 1.37 0.49 7.04 1.01 -1.26 -1.36 121.20 128.47 2x32 s ILE 158 Ca -0.03 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 2x32 s ILE 158 Cb -0.04 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.13 2x32 s ILE 158 CO 0.02 0.41 1.26 -0.55 0.00 0.00 0.00 174.94 176.08 2x32 s SER 159 N 0.79 5.78 0.00 3.58 0.15 0.53 -4.94 113.70 119.60 2x32 s SER 159 Ca -0.11 2.53 0.25 0.00 0.70 0.00 0.00 55.95 59.31 2x32 s SER 159 Cb -0.16 -2.62 0.53 0.00 -1.71 0.00 0.00 66.02 62.07 2x32 s SER 159 CO 0.02 -1.20 1.45 0.35 1.20 0.00 0.00 173.24 175.06 2x32 n THR 160 N -0.69 0.07 -4.04 6.45 -2.24 -1.26 -4.68 114.28 107.89 2x32 n THR 160 Ca 0.08 -0.44 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 2x32 n THR 160 Cb 0.46 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.65 2x32 n THR 160 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x32 s THR 161 N -1.93 4.87 -0.21 4.28 2.01 -1.26 -0.16 115.64 123.25 2x32 s THR 161 Ca 0.33 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 2x32 s THR 161 Cb 0.20 -3.15 0.06 0.00 0.01 0.00 0.00 72.50 69.62 2x32 s THR 161 CO 0.31 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.06 2x32 s VAL 162 N -0.21 1.09 0.33 3.82 1.01 0.88 -4.75 120.40 122.56 2x32 s VAL 162 Ca 0.08 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 2x32 s VAL 162 Cb -0.12 -1.42 -0.11 0.00 0.00 0.00 0.00 36.38 34.74 2x32 s VAL 162 CO 0.01 -0.09 1.41 -2.84 0.00 0.00 0.00 175.10 173.59 2x32 s PRO 163 N 1.61 4.23 -0.06 2.72 0.02 -1.25 -0.86 135.00 141.41 2x32 s PRO 163 Ca -0.03 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.41 2x32 s PRO 163 Cb -0.17 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.32 2x32 s PRO 163 CO -0.07 -0.38 -0.13 0.08 -0.33 0.00 0.00 177.00 176.17 2x32 s VAL 164 N -0.90 1.19 0.07 3.83 1.01 0.72 -1.17 120.40 125.15 2x32 s VAL 164 Ca 0.53 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2x32 s VAL 164 Cb -0.43 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2x32 s VAL 164 CO 0.55 0.36 -0.13 -1.81 0.00 0.00 0.00 175.10 174.08 2x32 s ASP 165 N 0.52 1.51 0.02 3.32 1.01 -0.66 -3.93 116.67 118.46 2x32 s ASP 165 Ca -0.12 -0.63 -0.19 0.00 0.71 0.00 0.00 52.55 52.31 2x32 s ASP 165 Cb -0.15 -0.03 0.04 0.00 1.01 0.00 0.00 42.92 43.79 2x32 s ASP 165 CO 0.03 -0.12 0.43 0.72 0.21 0.00 0.00 175.17 176.44 2x32 s PHE 166 N -1.43 -0.31 -0.18 4.23 -0.12 -1.26 -0.75 117.98 118.16 2x32 s PHE 166 Ca -0.02 0.37 -0.02 0.00 -0.05 0.00 0.00 56.93 57.21 2x32 s PHE 166 Cb -0.09 0.22 0.05 0.00 -0.63 0.00 0.00 43.02 42.57 2x32 s PHE 166 CO 0.02 -0.54 0.00 0.08 -0.05 0.00 0.00 175.22 174.73 2x32 s VAL 167 N -2.02 0.74 -0.14 -2.49 1.01 -0.70 -3.66 120.40 113.15 2x32 s VAL 167 Ca -0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2x32 s VAL 167 Cb -0.02 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2x32 s VAL 167 CO 0.01 -0.08 -0.10 -0.76 0.00 0.00 0.00 175.10 174.17 2x32 s LEU 168 N 1.77 2.86 -0.20 3.92 1.43 0.20 -1.17 118.68 127.49 2x32 s LEU 168 Ca -0.01 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2x32 s LEU 168 Cb -0.16 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2x32 s LEU 168 CO -0.07 0.15 0.03 -0.36 0.23 0.00 0.00 176.35 176.33 2x32 s PHE 169 N 0.43 3.10 -0.06 0.29 0.08 -1.26 -0.12 117.98 120.45 2x32 s PHE 169 Ca -0.08 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 56.74 2x32 s PHE 169 Cb -0.15 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2x32 s PHE 169 CO 0.04 -0.14 -0.20 0.71 -0.10 0.00 0.00 175.22 175.54 2x32 s TYR 170 N 0.90 2.56 -0.04 0.36 2.02 -0.17 -0.36 117.35 122.62 2x32 s TYR 170 Ca 0.02 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 2x32 s TYR 170 Cb -0.14 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2x32 s TYR 170 CO 0.02 -0.04 -0.12 -2.00 -1.57 0.00 0.00 175.55 171.84 2x32 s GLU 171 N -0.38 1.39 0.32 -0.62 2.56 -0.06 -1.13 118.70 120.79 2x32 s GLU 171 Ca 0.03 -0.41 -0.23 0.00 0.00 0.00 0.00 54.97 54.36 2x32 s GLU 171 Cb -0.12 -1.22 -0.10 0.00 2.00 0.00 0.00 34.13 34.69 2x32 s GLU 171 CO 0.02 0.12 0.89 0.00 -0.56 0.00 0.00 175.26 175.73 2x32 s ALA 172 N 0.30 3.22 -2.00 6.30 0.00 0.41 -0.55 121.76 129.44 2x32 s ALA 172 Ca -0.07 0.40 0.31 0.00 0.00 0.00 0.00 51.96 52.60 2x32 s ALA 172 Cb -0.12 -3.08 1.84 0.00 0.00 0.00 0.00 23.12 21.76 2x32 s ALA 172 CO 0.02 0.21 2.16 -0.35 0.00 0.00 0.00 175.76 177.80