#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aap s HIS 42 N 0.00 1.97 0.53 5.64 0.09 -1.26 -5.07 115.29 117.18 3aap s HIS 42 Ca 0.00 -0.98 -0.16 0.00 -0.00 0.00 0.00 55.06 53.92 3aap s HIS 42 Cb 0.00 -1.30 -0.07 0.00 -0.00 0.00 0.00 32.58 31.21 3aap s HIS 42 CO 0.00 -0.00 1.00 -1.12 -0.00 0.00 0.00 174.74 174.62 3aap s SER 43 N -3.52 6.50 0.02 1.40 0.01 -0.78 -4.90 113.70 112.43 3aap s SER 43 Ca 0.34 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.20 3aap s SER 43 Cb 0.08 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 3aap s SER 43 CO 0.15 -0.67 -0.03 0.00 0.41 0.00 0.00 173.24 173.10 3aap s ILE 45 N -1.41 0.03 -0.04 0.00 2.07 -0.56 -4.47 121.20 116.82 3aap s ILE 45 Ca -0.15 -0.28 0.04 0.00 -1.41 0.00 0.00 60.65 58.84 3aap s ILE 45 Cb -0.10 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 3aap s ILE 45 CO -0.01 -0.15 -0.13 0.00 -1.91 0.00 0.00 174.94 172.73 3aap s ALA 46 N -0.64 2.71 -0.08 1.50 0.00 -0.08 -0.85 121.76 124.32 3aap s ALA 46 Ca -0.07 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3aap s ALA 46 Cb -0.04 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.12 3aap s ALA 46 CO 0.02 0.56 -0.08 0.08 0.00 0.00 0.00 175.76 176.34 3aap s VAL 47 N -0.77 0.93 -0.24 0.00 1.01 0.41 -1.39 120.40 120.34 3aap s VAL 47 Ca 0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3aap s VAL 47 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3aap s VAL 47 CO 0.01 0.33 0.10 -0.63 0.00 0.00 0.00 175.10 174.92 3aap s ILE 48 N 1.25 4.69 -0.50 2.22 1.01 0.65 -0.73 121.20 129.80 3aap s ILE 48 Ca -0.04 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 3aap s ILE 48 Cb -0.14 -3.19 0.07 0.00 0.01 0.00 0.00 42.46 39.21 3aap s ILE 48 CO -0.03 0.34 0.56 -0.62 0.00 0.00 0.00 174.94 175.19 3aap s ASP 49 N 1.37 6.20 -0.94 3.58 2.15 0.10 -1.05 116.67 128.07 3aap s ASP 49 Ca 0.06 -1.08 -0.14 0.00 0.43 0.00 0.00 52.55 51.82 3aap s ASP 49 Cb -0.15 -2.26 0.20 0.00 -0.30 0.00 0.00 42.92 40.42 3aap s ASP 49 CO 0.05 -0.83 0.97 0.00 -0.17 0.00 0.00 175.17 175.19 3aap s ALA 50 N 2.32 4.03 0.75 3.66 0.00 -0.11 -0.79 121.76 131.62 3aap s ALA 50 Ca 0.11 -3.29 -0.02 0.00 0.00 0.00 0.00 51.96 48.77 3aap s ALA 50 Cb -0.21 -3.71 0.15 0.00 0.00 0.00 0.00 23.12 19.35 3aap s ALA 50 CO 0.10 -2.48 0.99 0.41 0.00 0.00 0.00 175.76 174.78 3aap n GLY 51 N 4.12 0.43 0.28 0.00 0.00 -0.18 -1.58 105.19 108.25 3aap n GLY 51 Ca 0.20 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 3aap n GLY 51 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3aap h SER 52 N -0.68 0.67 0.05 1.61 4.64 -1.94 -3.14 113.55 114.76 3aap h SER 52 Ca -0.33 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3aap h SER 52 Cb 1.16 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3aap h SER 52 CO 0.33 0.75 -0.85 0.35 -0.87 0.00 0.00 176.83 176.55 3aap n THR 53 N -4.23 0.00 0.00 2.95 -2.24 -1.26 -3.73 114.28 105.77 3aap n THR 53 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3aap n THR 53 Cb 0.29 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3aap n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aap n GLY 54 N 1.48 0.45 3.32 3.38 0.00 -1.19 -3.15 105.19 109.49 3aap n GLY 54 Ca 0.05 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 3aap n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3aap s SER 55 N 0.00 3.30 -0.14 1.61 0.01 -0.46 -1.01 113.70 117.02 3aap s SER 55 Ca 0.00 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.84 3aap s SER 55 Cb 0.00 -0.82 0.02 0.00 0.21 0.00 0.00 66.02 65.42 3aap s SER 55 CO 0.00 0.27 -0.17 -0.60 0.41 0.00 0.00 173.24 173.14 3aap s ARG 56 N -0.29 2.56 -0.11 12.44 3.52 0.03 -1.15 118.95 135.96 3aap s ARG 56 Ca 0.01 -0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 54.73 3aap s ARG 56 Cb -0.13 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 31.04 3aap s ARG 56 CO 0.03 -0.12 0.54 -1.17 -0.81 0.00 0.00 175.30 173.76 3aap s LEU 57 N 1.12 4.28 -0.10 -0.88 2.96 0.11 -0.73 118.68 125.45 3aap s LEU 57 Ca -0.02 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.83 3aap s LEU 57 Cb -0.14 -2.80 0.01 0.00 0.50 0.00 0.00 46.19 43.76 3aap s LEU 57 CO -0.06 -0.04 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.73 3aap s HIS 58 N 0.70 2.31 -0.14 5.38 3.76 0.09 -1.42 115.29 125.97 3aap s HIS 58 Ca 0.29 -0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 54.20 3aap s HIS 58 Cb -0.16 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 3aap s HIS 58 CO 0.12 -0.43 -0.11 0.42 -0.85 0.00 0.00 174.74 173.90 3aap s ILE 59 N 0.54 3.20 -0.03 0.60 1.01 -0.23 -0.45 121.20 125.84 3aap s ILE 59 Ca -0.15 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 59.97 3aap s ILE 59 Cb -0.17 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3aap s ILE 59 CO 0.05 0.51 -0.23 -0.31 0.00 0.00 0.00 174.94 174.96 3aap s TYR 60 N 0.49 2.42 0.09 3.97 2.02 -0.03 -0.17 117.35 126.13 3aap s TYR 60 Ca -0.08 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 3aap s TYR 60 Cb -0.15 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 3aap s TYR 60 CO 0.04 -0.00 0.11 -1.54 -1.57 0.00 0.00 175.55 172.59 3aap s SER 61 N -0.60 5.70 0.17 2.29 1.04 0.28 -1.50 113.70 121.07 3aap s SER 61 Ca 0.09 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.36 3aap s SER 61 Cb -0.10 -1.58 0.05 0.00 0.10 0.00 0.00 66.02 64.49 3aap s SER 61 CO -0.00 0.16 0.53 -0.72 0.98 0.00 0.00 173.24 174.18 3aap s TYR 62 N -1.46 -0.32 0.42 5.02 -0.85 -0.34 -0.91 117.35 118.90 3aap s TYR 62 Ca 0.31 0.04 0.07 0.00 -0.52 0.00 0.00 57.07 56.97 3aap s TYR 62 Cb -0.12 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 3aap s TYR 62 CO 0.23 -0.85 0.29 -0.51 -1.52 0.00 0.00 175.55 173.19 3aap s ASP 63 N -2.80 4.76 -0.08 -0.18 1.01 -0.32 -1.87 116.67 117.19 3aap s ASP 63 Ca 0.04 -0.90 0.05 0.00 0.71 0.00 0.00 52.55 52.45 3aap s ASP 63 Cb -0.00 -0.52 -0.01 0.00 1.01 0.00 0.00 42.92 43.40 3aap s ASP 63 CO -0.09 -0.61 -0.24 -0.89 0.21 0.00 0.00 175.17 173.55 3aap s THR 64 N -2.53 2.05 0.21 -1.27 2.01 -1.26 -0.21 115.64 114.62 3aap s THR 64 Ca 0.45 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 3aap s THR 64 Cb 0.00 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.81 3aap s THR 64 CO 0.25 0.56 0.28 -0.90 -0.69 0.00 0.00 174.62 174.13 3aap n ASP 65 N 3.19 0.25 0.00 3.53 5.68 -0.44 -4.90 116.55 123.87 3aap n ASP 65 Ca -0.18 -1.24 0.11 0.00 -0.50 0.00 0.00 54.79 52.97 3aap n ASP 65 Cb 0.52 -0.19 0.64 0.00 -1.14 0.00 0.00 41.12 40.95 3aap n ASP 65 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3aap n ASP 66 N -3.05 0.00 -1.26 -1.12 5.75 -1.26 -1.86 116.55 113.75 3aap n ASP 66 Ca 0.04 -1.04 0.11 0.00 -0.01 0.00 0.00 54.79 53.89 3aap n ASP 66 Cb 0.15 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.54 3aap n ASP 66 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3aap n THR 67 N -0.89 1.01 -2.97 2.12 -2.24 -1.26 -4.95 114.28 105.10 3aap n THR 67 Ca 0.16 -1.00 -0.19 0.00 -2.27 0.00 0.00 64.05 60.75 3aap n THR 67 Cb 0.07 0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.84 3aap n THR 67 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3aap n ASN 68 N 1.50 -5.37 -4.19 3.42 5.15 -0.78 -4.59 115.26 110.40 3aap n ASN 68 Ca 0.23 -0.27 -0.30 0.00 -0.60 0.00 0.00 54.58 53.64 3aap n ASN 68 Cb 0.60 -4.17 -0.17 0.00 -0.53 0.00 0.00 39.78 35.51 3aap n ASN 68 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3aap s THR 69 N -3.10 1.79 0.34 -0.44 2.01 -1.26 -4.92 115.64 110.07 3aap s THR 69 Ca 0.29 -0.89 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 3aap s THR 69 Cb -0.13 -1.55 -0.12 0.00 0.01 0.00 0.00 72.50 70.72 3aap s THR 69 CO 0.36 0.50 1.33 -2.65 -0.69 0.00 0.00 174.62 173.47 3aap n PRO 70 N 3.34 2.23 -4.28 4.92 -0.02 -1.26 -1.32 135.00 138.60 3aap n PRO 70 Ca -0.19 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 61.92 3aap n PRO 70 Cb 0.53 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 3aap n PRO 70 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3aap s ILE 71 N -1.06 0.64 -1.44 4.25 -4.36 0.70 -4.85 121.20 115.09 3aap s ILE 71 Ca 0.55 -1.99 -0.07 0.00 -0.26 0.00 0.00 60.65 58.87 3aap s ILE 71 Cb -0.55 -2.39 0.05 0.00 1.25 0.00 0.00 42.46 40.81 3aap s ILE 71 CO 0.62 -0.23 0.83 1.41 0.24 0.00 0.00 174.94 177.81 3aap n HIS 72 N -0.36 -2.10 -2.31 1.37 8.25 -1.26 -1.17 115.22 117.63 3aap n HIS 72 Ca -0.03 0.87 -0.42 0.00 -0.26 0.00 0.00 57.72 57.88 3aap n HIS 72 Cb 0.65 -4.12 -0.03 0.00 1.12 0.00 0.00 29.99 27.61 3aap n HIS 72 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3aap s ILE 73 N -3.49 3.80 -0.03 1.59 1.01 -1.26 -4.39 121.20 118.42 3aap s ILE 73 Ca 0.36 1.25 0.01 0.00 0.00 0.00 0.00 60.65 62.26 3aap s ILE 73 Cb -0.18 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3aap s ILE 73 CO 0.83 0.06 -0.02 -1.61 0.00 0.00 0.00 174.94 174.19 3aap s GLU 74 N 1.59 0.49 -0.11 2.79 0.41 -0.09 -4.98 118.70 118.80 3aap s GLU 74 Ca 0.61 -0.02 -0.30 0.00 -0.41 0.00 0.00 54.97 54.86 3aap s GLU 74 Cb -0.31 -0.58 -0.02 0.00 -1.78 0.00 0.00 34.13 31.45 3aap s GLU 74 CO 0.28 -0.08 1.09 -2.00 -0.49 0.00 0.00 175.26 174.05 3aap s GLU 75 N 0.81 4.37 0.00 1.61 2.12 -1.26 -0.55 118.70 125.79 3aap s GLU 75 Ca -0.09 1.49 0.12 0.00 0.36 0.00 0.00 54.97 56.85 3aap s GLU 75 Cb -0.12 -3.57 -0.12 0.00 0.26 0.00 0.00 34.13 30.58 3aap s GLU 75 CO -0.01 -0.42 0.54 0.44 -0.54 0.00 0.00 175.26 175.27 3aap n ILE 76 N 4.71 0.00 -3.58 -3.70 -5.35 0.76 -4.95 119.36 107.25 3aap n ILE 76 Ca 0.10 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.21 3aap n ILE 76 Cb 0.47 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.33 3aap n ILE 76 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3aap s TRP 77 N -2.08 -0.59 0.06 4.28 -0.00 -1.19 -5.00 118.94 114.43 3aap s TRP 77 Ca 0.05 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.37 3aap s TRP 77 Cb 0.09 0.38 -0.03 0.00 -0.00 0.00 0.00 33.47 33.90 3aap s TRP 77 CO 0.48 -0.42 -0.06 1.21 -0.00 0.00 0.00 176.95 178.16 3aap s ASN 78 N -0.51 0.82 -0.26 5.86 3.84 -1.26 -1.07 114.94 122.37 3aap s ASN 78 Ca -0.03 -0.83 -0.17 0.00 0.21 0.00 0.00 52.86 52.04 3aap s ASN 78 Cb -0.02 0.10 0.07 0.00 -0.55 0.00 0.00 41.25 40.85 3aap s ASN 78 CO 0.03 -0.41 0.64 -0.75 -2.79 0.00 0.00 177.10 173.82 3aap s LYS 79 N -3.03 0.68 -0.02 0.43 2.47 -0.51 -4.96 119.74 114.79 3aap s LYS 79 Ca 0.02 1.09 0.07 0.00 -1.56 0.00 0.00 55.97 55.59 3aap s LYS 79 Cb 0.00 0.17 -0.01 0.00 -1.46 0.00 0.00 37.83 36.53 3aap s LYS 79 CO -0.04 -0.14 -0.22 0.21 0.16 0.00 0.00 175.35 175.32 3aap s LYS 80 N 1.31 1.90 0.11 4.03 2.47 -1.26 0.07 119.74 128.37 3aap s LYS 80 Ca -0.08 -0.79 0.06 0.00 -1.56 0.00 0.00 55.97 53.60 3aap s LYS 80 Cb -0.05 -1.78 -0.03 0.00 -1.46 0.00 0.00 37.83 34.50 3aap s LYS 80 CO -0.14 0.44 -0.15 -1.50 0.16 0.00 0.00 175.35 174.16 3aap s ILE 81 N -0.42 1.36 0.30 5.43 2.07 -0.30 -4.99 121.20 124.65 3aap s ILE 81 Ca 0.06 -1.58 0.11 0.00 -1.41 0.00 0.00 60.65 57.83 3aap s ILE 81 Cb -0.10 -1.42 -0.05 0.00 0.13 0.00 0.00 42.46 41.02 3aap s ILE 81 CO 0.00 -0.30 -0.16 -0.54 -1.91 0.00 0.00 174.94 172.03 3aap s LYS 82 N -2.29 1.76 0.00 3.50 1.02 -1.26 -1.35 119.74 121.11 3aap s LYS 82 Ca 0.06 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.26 3aap s LYS 82 Cb -0.07 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 3aap s LYS 82 CO 0.03 0.28 0.00 -0.35 -0.92 0.00 0.00 175.35 174.39 3aap n PRO 83 N -0.69 1.19 -1.87 -1.68 -0.04 -1.26 -5.01 135.00 125.65 3aap n PRO 83 Ca -0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 3aap n PRO 83 Cb 0.61 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.10 3aap n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3aap s GLY 84 N -1.65 2.87 0.27 0.55 0.00 -1.19 -4.22 107.32 103.96 3aap s GLY 84 Ca 0.00 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.97 3aap s GLY 84 CO 0.00 1.76 1.84 -2.75 0.00 0.00 0.00 173.10 173.95 3aap h PHE 85 N 1.53 1.13 0.00 1.90 3.57 -1.85 -1.68 116.94 121.55 3aap h PHE 85 Ca -0.51 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3aap h PHE 85 Cb 1.29 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3aap h PHE 85 CO 0.47 0.49 0.00 0.00 -2.23 0.00 0.00 178.31 177.04 3aap n ALA 86 N -2.35 1.74 1.00 2.41 0.00 -1.26 -2.37 120.51 119.67 3aap n ALA 86 Ca 0.17 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.66 3aap n ALA 86 Cb 0.30 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 3aap n ALA 86 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3aap n SER 87 N -1.40 1.31 -4.93 0.00 3.41 -0.63 -4.99 113.62 106.38 3aap n SER 87 Ca 0.05 -1.14 -0.25 0.00 -0.26 0.00 0.00 58.87 57.27 3aap n SER 87 Cb 0.14 0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 3aap n SER 87 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3aap s ILE 88 N -2.83 5.14 0.03 -1.33 -4.36 -1.00 -5.02 121.20 111.82 3aap s ILE 88 Ca 0.11 -0.41 -0.30 0.00 -0.26 0.00 0.00 60.65 59.79 3aap s ILE 88 Cb 0.17 -3.81 -0.07 0.00 1.25 0.00 0.00 42.46 40.01 3aap s ILE 88 CO 0.77 -0.39 1.52 -1.58 0.24 0.00 0.00 174.94 175.50 3aap s GLN 89 N -3.88 4.24 -1.50 0.37 0.74 -1.26 -4.88 119.66 113.48 3aap s GLN 89 Ca 0.39 2.13 -0.12 0.00 0.05 0.00 0.00 55.36 57.82 3aap s GLN 89 Cb -0.10 -3.60 0.01 0.00 1.10 0.00 0.00 33.01 30.42 3aap s GLN 89 CO 0.32 -0.65 2.46 -0.35 -0.55 0.00 0.00 175.29 176.52 3aap n PRO 90 N 5.53 3.27 -4.48 1.67 -0.04 -1.26 -4.39 135.00 135.30 3aap n PRO 90 Ca 0.14 -2.56 -0.23 0.00 -0.04 0.00 0.00 63.50 60.82 3aap n PRO 90 Cb 0.42 -3.07 -0.11 0.00 -0.04 0.00 0.00 33.50 30.70 3aap n PRO 90 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3aap s ASN 91 N 2.58 2.73 0.13 3.54 4.22 -1.26 -4.77 114.94 122.11 3aap s ASN 91 Ca 0.55 -1.35 -0.18 0.00 -2.14 0.00 0.00 52.86 49.73 3aap s ASN 91 Cb 0.15 -0.16 -0.03 0.00 1.28 0.00 0.00 41.25 42.49 3aap s ASN 91 CO -0.07 -0.54 1.78 0.28 -2.04 0.00 0.00 177.10 176.51 3aap h SER 92 N 2.06 0.34 -0.94 3.54 0.02 -1.96 -1.27 113.55 115.34 3aap h SER 92 Ca -0.41 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 3aap h SER 92 Cb 1.24 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 3aap h SER 92 CO 0.72 0.26 0.62 -0.37 -1.14 0.00 0.00 176.83 176.92 3aap h VAL 93 N 0.39 1.24 -0.08 2.27 -1.51 -1.97 0.35 116.25 116.94 3aap h VAL 93 Ca 0.11 -0.45 -0.17 0.00 -1.23 0.00 0.00 66.70 64.96 3aap h VAL 93 Cb -0.03 -0.14 0.01 0.00 -2.13 0.00 0.00 31.29 29.00 3aap h VAL 93 CO -0.02 0.24 -0.61 0.74 -1.23 0.00 0.00 177.57 176.69 3aap h THR 94 N 1.27 1.36 -0.50 7.19 2.02 -1.76 -2.00 112.91 120.49 3aap h THR 94 Ca 0.34 -1.93 -0.12 0.00 0.77 0.00 0.00 66.41 65.48 3aap h THR 94 Cb -0.14 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3aap h THR 94 CO -0.07 0.58 -0.16 0.40 0.37 0.00 0.00 175.52 176.64 3aap h ILE 95 N 0.16 1.27 -0.45 3.11 1.08 -1.14 -1.28 117.51 120.27 3aap h ILE 95 Ca -0.05 -1.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.11 3aap h ILE 95 Cb 1.26 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 3aap h ILE 95 CO 0.12 0.45 0.26 -0.78 -0.69 0.00 0.00 178.15 177.51 3aap h ASP 96 N 0.85 0.55 -0.61 1.72 3.58 -0.91 0.41 116.42 122.01 3aap h ASP 96 Ca 0.12 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 3aap h ASP 96 Cb 0.71 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 3aap h ASP 96 CO 0.05 0.47 0.27 0.00 -2.88 0.00 0.00 179.24 177.15 3aap h ALA 97 N 1.11 0.80 0.12 -0.78 0.00 -1.12 -0.21 119.26 119.17 3aap h ALA 97 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3aap h ALA 97 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3aap h ALA 97 CO -0.03 0.39 -0.06 -0.92 0.00 0.00 0.00 179.25 178.64 3aap h TYR 98 N 0.85 -0.15 -0.20 0.00 3.20 -0.98 -1.36 116.97 118.34 3aap h TYR 98 Ca 0.21 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 3aap h TYR 98 Cb 0.17 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3aap h TYR 98 CO 0.01 0.21 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.45 3aap h LEU 99 N -0.52 0.34 -0.47 2.82 3.38 -0.89 -1.81 115.31 118.17 3aap h LEU 99 Ca -0.02 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3aap h LEU 99 Cb 0.42 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3aap h LEU 99 CO 0.03 0.57 0.05 0.74 0.09 0.00 0.00 178.44 179.92 3aap h THR 100 N 0.32 1.25 -0.41 0.22 2.02 -0.94 -0.47 112.91 114.91 3aap h THR 100 Ca 0.05 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 3aap h THR 100 Cb 0.55 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3aap h THR 100 CO 0.04 0.34 0.05 -0.03 0.37 0.00 0.00 175.52 176.28 3aap h MET 101 N 0.66 0.62 -0.05 6.66 1.85 -0.92 -0.65 114.93 123.11 3aap h MET 101 Ca 0.14 -0.13 -0.24 0.00 -0.61 0.00 0.00 59.70 58.86 3aap h MET 101 Cb 0.42 -0.09 0.01 0.00 0.43 0.00 0.00 31.60 32.37 3aap h MET 101 CO 0.01 0.61 -0.92 1.25 -0.40 0.00 0.00 176.91 177.46 3aap h LEU 102 N 0.60 0.79 0.00 3.39 5.85 -1.00 -3.40 115.31 121.54 3aap h LEU 102 Ca 0.13 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3aap h LEU 102 Cb 0.30 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3aap h LEU 102 CO 0.01 1.38 -1.59 0.18 -0.34 0.00 0.00 178.44 178.08 3aap n LEU 103 N -3.85 0.00 -0.11 2.25 4.77 -0.21 -4.74 117.00 115.10 3aap n LEU 103 Ca -0.08 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.93 3aap n LEU 103 Cb 0.82 0.06 0.35 0.00 -2.33 0.00 0.00 43.42 42.32 3aap n LEU 103 CO 0.53 0.06 1.20 0.00 -1.33 0.00 0.00 177.39 177.85 3aap h ALA 104 N 0.96 1.63 -0.07 -1.18 0.00 -1.30 -2.45 119.26 116.86 3aap h ALA 104 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3aap h ALA 104 Cb 0.79 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3aap h ALA 104 CO 0.00 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 3aap n ASP 105 N -4.46 2.05 -4.72 0.00 8.00 -1.26 -4.96 116.55 111.21 3aap n ASP 105 Ca 0.07 -1.70 -0.43 0.00 0.71 0.00 0.00 54.79 53.44 3aap n ASP 105 Cb 0.09 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 3aap n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3aap n ALA 106 N 0.60 2.15 1.50 2.24 0.00 -0.93 -4.85 120.51 121.22 3aap n ALA 106 Ca 0.17 0.38 0.05 0.00 0.00 0.00 0.00 53.44 54.04 3aap n ALA 106 Cb 0.43 -2.41 0.28 0.00 0.00 0.00 0.00 19.45 17.75 3aap n ALA 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3aap n PRO 107 N 2.12 0.75 -3.27 0.00 -0.04 -1.26 -4.84 135.00 128.47 3aap n PRO 107 Ca 0.09 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.37 3aap n PRO 107 Cb 0.35 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 3aap n PRO 107 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3aap s ILE 108 N -2.00 3.70 -0.17 0.52 1.10 -1.26 -5.13 121.20 117.95 3aap s ILE 108 Ca 0.14 -0.95 -0.09 0.00 -0.51 0.00 0.00 60.65 59.23 3aap s ILE 108 Cb 0.06 -3.28 0.06 0.00 0.15 0.00 0.00 42.46 39.46 3aap s ILE 108 CO 0.11 -0.12 0.42 -2.28 -2.11 0.00 0.00 174.94 170.96 3aap s HIS 109 N -2.27 -0.61 -0.53 3.50 2.46 -1.26 -5.01 115.29 111.56 3aap s HIS 109 Ca 0.49 1.30 -0.02 0.00 0.47 0.00 0.00 55.06 57.30 3aap s HIS 109 Cb -0.10 0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.61 3aap s HIS 109 CO 0.32 -0.34 0.48 0.09 -2.47 0.00 0.00 174.74 172.82 3aap n ASN 110 N 4.24 -5.21 -4.16 9.88 3.02 0.13 -5.05 115.26 118.11 3aap n ASN 110 Ca -0.23 -0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 53.87 3aap n ASN 110 Cb 0.55 -3.50 -0.15 0.00 -0.61 0.00 0.00 39.78 36.08 3aap n ASN 110 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3aap s ILE 111 N -3.10 1.31 0.39 2.41 2.07 -1.13 -4.95 121.20 118.20 3aap s ILE 111 Ca 0.12 -0.85 -0.26 0.00 -1.41 0.00 0.00 60.65 58.25 3aap s ILE 111 Cb -0.02 -1.12 -0.09 0.00 0.13 0.00 0.00 42.46 41.37 3aap s ILE 111 CO 0.45 0.25 1.24 -2.84 -1.91 0.00 0.00 174.94 172.13 3aap s PRO 112 N -0.70 4.06 -0.03 3.50 0.02 -1.26 -1.15 135.00 139.44 3aap s PRO 112 Ca 0.05 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.13 3aap s PRO 112 Cb -0.07 -2.77 -0.00 0.00 0.02 0.00 0.00 34.50 31.68 3aap s PRO 112 CO 0.00 -0.37 -0.11 0.08 -0.33 0.00 0.00 177.00 176.27 3aap s VAL 113 N -1.30 0.95 -0.17 3.83 1.01 -0.08 -0.90 120.40 123.74 3aap s VAL 113 Ca 0.56 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 3aap s VAL 113 Cb -0.35 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3aap s VAL 113 CO 0.45 0.28 -0.07 -0.31 0.00 0.00 0.00 175.10 175.45 3aap s TYR 114 N 0.06 2.93 -0.36 5.22 2.02 -0.49 -0.37 117.35 126.36 3aap s TYR 114 Ca -0.02 -0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 56.03 3aap s TYR 114 Cb -0.08 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.58 3aap s TYR 114 CO 0.01 -0.25 0.14 0.12 -1.57 0.00 0.00 175.55 173.99 3aap s PHE 115 N 0.71 3.36 -0.25 2.71 5.36 0.01 -0.25 117.98 129.62 3aap s PHE 115 Ca -0.03 -1.79 -0.00 0.00 -0.96 0.00 0.00 56.93 54.14 3aap s PHE 115 Cb -0.15 -2.62 0.03 0.00 -0.34 0.00 0.00 43.02 39.95 3aap s PHE 115 CO 0.02 -0.83 -0.09 0.71 -1.46 0.00 0.00 175.22 173.57 3aap s TYR 116 N 1.31 3.08 0.18 10.12 2.02 -0.22 -1.30 117.35 132.55 3aap s TYR 116 Ca 0.01 -1.75 -0.08 0.00 -0.37 0.00 0.00 57.07 54.87 3aap s TYR 116 Cb -0.21 -2.02 -0.07 0.00 -0.40 0.00 0.00 41.96 39.27 3aap s TYR 116 CO 0.00 -0.78 0.48 0.00 -1.57 0.00 0.00 175.55 173.68 3aap s ALA 117 N 1.27 3.66 0.00 3.71 0.00 -0.30 -0.93 121.76 129.17 3aap s ALA 117 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3aap s ALA 117 Cb -0.17 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.63 3aap s ALA 117 CO -0.05 0.57 0.00 0.25 0.00 0.00 0.00 175.76 176.52 3aap n THR 118 N 0.06 0.00 -0.11 0.00 -2.24 -0.62 -0.93 114.28 110.44 3aap n THR 118 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3aap n THR 118 Cb 0.52 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.13 3aap n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3aap h ALA 119 N 0.68 1.71 -0.61 6.98 0.00 -1.88 -2.15 119.26 124.00 3aap h ALA 119 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3aap h ALA 119 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3aap h ALA 119 CO 0.00 0.22 0.29 0.78 0.00 0.00 0.00 179.25 180.54 3aap h GLY 120 N 0.68 0.88 1.71 0.00 0.00 -1.87 -1.44 103.07 103.03 3aap h GLY 120 Ca 0.25 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 3aap h GLY 120 CO -0.07 0.08 -0.60 1.98 0.00 0.00 0.00 176.54 177.93 3aap h MET 121 N 0.54 0.30 0.00 4.80 -1.53 -1.71 -3.02 114.93 114.31 3aap h MET 121 Ca 0.29 -0.21 -0.01 0.00 -3.44 0.00 0.00 59.70 56.34 3aap h MET 121 Cb 0.26 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.33 3aap h MET 121 CO -0.22 0.81 -0.03 0.00 0.14 0.00 0.00 176.91 177.61 3aap h ARG 122 N 0.23 0.00 -0.00 0.39 3.08 -0.82 -2.33 114.38 114.92 3aap h ARG 122 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3aap h ARG 122 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3aap h ARG 122 CO 0.10 0.03 -0.15 1.28 -1.07 0.00 0.00 179.97 180.16 3aap n LEU 123 N -3.62 0.43 -4.88 3.04 4.77 -0.65 -4.84 117.00 111.24 3aap n LEU 123 Ca -0.03 0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 3aap n LEU 123 Cb 0.12 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3aap n LEU 123 CO 0.26 0.08 0.03 -0.76 -1.33 0.00 0.00 177.39 175.68 3aap s LEU 124 N -2.61 4.31 0.50 2.23 1.43 -0.88 -5.05 118.68 118.62 3aap s LEU 124 Ca 0.25 0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 53.79 3aap s LEU 124 Cb 0.20 -3.08 -0.08 0.00 0.03 0.00 0.00 46.19 43.25 3aap s LEU 124 CO 0.51 0.13 1.06 -2.65 0.23 0.00 0.00 176.35 175.63 3aap n PRO 125 N 0.57 1.32 -0.35 1.29 -0.02 -1.26 -4.78 135.00 131.77 3aap n PRO 125 Ca -0.06 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 3aap n PRO 125 Cb 0.52 -2.19 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 3aap n PRO 125 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3aap h GLN 126 N 1.25 1.04 0.00 -0.52 5.75 -1.93 -1.26 115.11 119.44 3aap h GLN 126 Ca -0.47 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 3aap h GLN 126 Cb 1.34 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.65 3aap h GLN 126 CO 0.55 0.69 -0.03 0.66 -2.65 0.00 0.00 178.83 178.05 3aap h SER 127 N 1.07 0.00 0.15 -0.69 4.64 -2.01 -1.47 113.55 115.24 3aap h SER 127 Ca 0.42 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.50 3aap h SER 127 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 3aap h SER 127 CO -0.19 0.03 -1.02 -0.61 -0.87 0.00 0.00 176.83 174.18 3aap h GLN 128 N 0.00 0.42 -0.90 4.77 5.75 -1.64 -3.28 115.11 120.23 3aap h GLN 128 Ca -0.00 -0.66 0.13 0.00 -0.15 0.00 0.00 58.65 57.98 3aap h GLN 128 Cb 0.07 0.23 -0.09 0.00 1.07 0.00 0.00 27.48 28.76 3aap h GLN 128 CO 0.00 1.30 0.52 1.96 -2.65 0.00 0.00 178.83 179.96 3aap h GLN 129 N -0.12 0.76 -0.78 1.69 4.20 -0.25 -2.44 115.11 118.17 3aap h GLN 129 Ca -0.17 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.55 3aap h GLN 129 Cb 1.78 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 29.33 3aap h GLN 129 CO 0.19 0.51 0.51 -0.22 -0.67 0.00 0.00 178.83 179.15 3aap h LYS 130 N 0.79 0.84 -0.64 1.46 3.64 -1.45 -1.65 116.57 119.56 3aap h LYS 130 Ca 0.47 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 3aap h LYS 130 Cb 0.56 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3aap h LYS 130 CO -0.31 0.56 0.40 0.87 -2.27 0.00 0.00 179.45 178.70 3aap h LYS 131 N 0.87 0.76 -0.25 1.90 1.57 -1.52 0.43 116.57 120.33 3aap h LYS 131 Ca 0.33 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3aap h LYS 131 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3aap h LYS 131 CO -0.11 0.51 0.07 1.88 -0.57 0.00 0.00 179.45 181.22 3aap h TYR 132 N 0.79 0.42 -0.02 -1.35 0.05 -1.37 -2.68 116.97 112.80 3aap h TYR 132 Ca 0.26 -0.05 -0.12 0.00 0.05 0.00 0.00 58.73 58.87 3aap h TYR 132 Cb 0.01 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3aap h TYR 132 CO -0.05 0.47 -0.53 1.88 -1.05 0.00 0.00 178.16 178.89 3aap h TYR 133 N 0.24 0.08 -0.49 4.88 0.05 -0.98 0.37 116.97 121.12 3aap h TYR 133 Ca 0.08 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 3aap h TYR 133 Cb 0.26 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3aap h TYR 133 CO 0.01 0.58 0.12 -0.44 -1.05 0.00 0.00 178.16 177.38 3aap h ASP 134 N 0.05 0.73 -0.25 3.88 3.32 -0.88 0.21 116.42 123.49 3aap h ASP 134 Ca -0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 3aap h ASP 134 Cb 0.95 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3aap h ASP 134 CO 0.07 0.77 0.02 -0.33 -1.72 0.00 0.00 179.24 178.06 3aap h GLU 135 N 0.66 0.42 -0.68 3.56 4.39 -1.18 -2.30 114.58 119.45 3aap h GLU 135 Ca 0.15 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3aap h GLU 135 Cb 0.32 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3aap h GLU 135 CO 0.00 0.57 0.26 1.25 -1.16 0.00 0.00 179.01 179.93 3aap h LEU 136 N 0.22 0.94 -0.73 1.33 6.46 -0.78 -0.89 115.31 121.86 3aap h LEU 136 Ca 0.07 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 3aap h LEU 136 Cb 0.36 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 3aap h LEU 136 CO 0.01 0.87 0.41 -0.33 -0.62 0.00 0.00 178.44 178.78 3aap h GLU 137 N 0.96 1.01 -0.41 1.25 5.08 -0.92 -1.25 114.58 120.30 3aap h GLU 137 Ca 0.22 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3aap h GLU 137 Cb 0.23 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3aap h GLU 137 CO -0.02 0.74 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.81 3aap h TYR 138 N 1.00 0.80 -0.48 4.33 3.20 -0.93 -2.13 116.97 122.76 3aap h TYR 138 Ca 0.26 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3aap h TYR 138 Cb 0.02 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 3aap h TYR 138 CO -0.00 0.80 0.26 2.35 -1.64 0.00 0.00 178.16 179.93 3aap h TRP 139 N 0.56 0.49 0.00 -3.82 7.01 -0.62 -1.94 115.95 117.64 3aap h TRP 139 Ca 0.12 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.06 3aap h TRP 139 Cb 0.49 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3aap h TRP 139 CO 0.04 0.27 -0.35 0.74 -2.79 0.00 0.00 178.44 176.34 3aap h PHE 140 N 0.53 0.00 0.00 2.65 -1.00 -1.02 -2.23 116.94 115.86 3aap h PHE 140 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 3aap h PHE 140 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3aap h PHE 140 CO -0.08 0.35 0.00 0.00 -1.61 0.00 0.00 178.31 176.97 3aap h ARG 141 N 0.00 0.00 -0.10 1.51 3.08 -0.68 -3.10 114.38 115.10 3aap h ARG 141 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3aap h ARG 141 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3aap h ARG 141 CO 0.05 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.99 3aap n GLN 142 N -2.99 1.69 -4.33 0.04 1.13 -0.84 -4.92 117.38 107.16 3aap n GLN 142 Ca 0.00 -1.02 -0.18 0.00 -1.94 0.00 0.00 57.00 53.86 3aap n GLN 142 Cb 0.26 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 29.08 3aap n GLN 142 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3aap s GLN 143 N -1.89 1.50 0.00 -1.09 1.03 -1.17 -5.07 119.66 112.97 3aap s GLN 143 Ca 0.35 -1.83 0.00 0.00 0.04 0.00 0.00 55.36 53.92 3aap s GLN 143 Cb 0.19 -0.19 0.00 0.00 0.03 0.00 0.00 33.01 33.04 3aap s GLN 143 CO 0.30 -0.37 0.00 -1.13 -2.54 0.00 0.00 175.29 171.55 3aap n SER 144 N -0.68 4.69 0.11 12.60 3.41 -1.26 -4.78 113.62 127.71 3aap n SER 144 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 3aap n SER 144 Cb 0.66 0.87 0.46 0.00 -0.26 0.00 0.00 64.21 65.93 3aap n SER 144 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3aap h GLN 145 N 0.00 0.29 -5.42 4.33 4.15 -1.97 -3.41 115.11 113.08 3aap h GLN 145 Ca 0.00 -0.04 -0.67 0.00 0.77 0.00 0.00 58.65 58.71 3aap h GLN 145 Cb 0.14 -0.06 -0.30 0.00 0.21 0.00 0.00 27.48 27.48 3aap h GLN 145 CO 0.00 0.29 -0.83 -1.58 -1.93 0.00 0.00 178.83 174.78 3aap s TRP 146 N -5.07 2.66 -0.60 3.99 0.52 -1.26 0.20 118.94 119.38 3aap s TRP 146 Ca -0.06 -0.83 -0.11 0.00 0.02 0.00 0.00 56.10 55.12 3aap s TRP 146 Cb 0.16 -1.75 0.15 0.00 -1.15 0.00 0.00 33.47 30.88 3aap s TRP 146 CO 0.72 -0.30 0.50 -0.65 0.02 0.00 0.00 176.95 177.24 3aap s GLN 147 N 0.27 2.88 -0.12 4.98 -0.21 -0.30 -4.94 119.66 122.23 3aap s GLN 147 Ca -0.13 -2.03 -0.29 0.00 0.02 0.00 0.00 55.36 52.92 3aap s GLN 147 Cb -0.17 -4.11 -0.04 0.00 1.00 0.00 0.00 33.01 29.69 3aap s GLN 147 CO 0.07 -1.25 1.59 -1.17 -2.12 0.00 0.00 175.29 172.41 3aap s LEU 148 N 0.92 4.18 -0.15 2.90 2.96 -1.26 -0.90 118.68 127.33 3aap s LEU 148 Ca 0.10 1.99 -0.21 0.00 -0.22 0.00 0.00 54.13 55.78 3aap s LEU 148 Cb -0.22 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.70 3aap s LEU 148 CO -0.02 -1.00 0.48 0.58 -1.32 0.00 0.00 176.35 175.06 3aap h VAL 149 N 5.73 1.18 -2.87 1.68 2.07 -1.08 -3.47 116.25 119.49 3aap h VAL 149 Ca -0.36 -2.30 -0.13 0.00 0.82 0.00 0.00 66.70 64.73 3aap h VAL 149 Cb 1.16 2.69 -0.24 0.00 -1.52 0.00 0.00 31.29 33.38 3aap h VAL 149 CO 0.97 0.52 -0.30 -1.61 0.02 0.00 0.00 177.57 177.18 3aap s GLU 150 N -2.37 0.42 -0.12 1.57 2.02 -1.24 -5.07 118.70 113.92 3aap s GLU 150 Ca -0.23 0.49 -0.01 0.00 0.02 0.00 0.00 54.97 55.24 3aap s GLU 150 Cb 0.03 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.50 3aap s GLU 150 CO 0.68 -0.05 -0.03 0.00 0.02 0.00 0.00 175.26 175.87 3aap s ALA 151 N 0.16 1.13 0.19 5.21 0.00 -1.26 -0.81 121.76 126.37 3aap s ALA 151 Ca -0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.24 3aap s ALA 151 Cb -0.03 -0.93 0.05 0.00 0.00 0.00 0.00 23.12 22.21 3aap s ALA 151 CO 0.01 -0.59 0.71 -1.59 0.00 0.00 0.00 175.76 174.30 3aap s LYS 152 N 1.79 1.41 -0.35 0.00 -2.85 -0.42 -5.00 119.74 114.33 3aap s LYS 152 Ca 0.03 -0.66 -0.22 0.00 -1.00 0.00 0.00 55.97 54.11 3aap s LYS 152 Cb -0.14 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 3aap s LYS 152 CO -0.07 -0.63 0.75 0.99 0.10 0.00 0.00 175.35 176.48 3aap s THR 153 N -3.69 4.79 0.47 3.79 2.01 -1.26 -1.15 115.64 120.60 3aap s THR 153 Ca 0.06 0.88 -0.18 0.00 0.31 0.00 0.00 61.69 62.77 3aap s THR 153 Cb -0.03 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 3aap s THR 153 CO -0.04 -0.36 0.95 0.27 -0.69 0.00 0.00 174.62 174.76 3aap s ILE 154 N 2.97 4.50 0.76 1.82 -4.36 -0.11 -4.91 121.20 121.87 3aap s ILE 154 Ca 0.30 1.27 -0.11 0.00 -0.26 0.00 0.00 60.65 61.84 3aap s ILE 154 Cb -0.14 -3.67 0.05 0.00 1.25 0.00 0.00 42.46 39.95 3aap s ILE 154 CO 0.15 -0.53 1.10 0.42 0.24 0.00 0.00 174.94 176.32 3aap s THR 155 N -2.43 3.25 0.38 8.37 -4.23 -1.26 -4.74 115.64 114.98 3aap s THR 155 Ca 0.59 0.41 0.11 0.00 -1.18 0.00 0.00 61.69 61.62 3aap s THR 155 Cb -0.10 -3.24 0.13 0.00 1.34 0.00 0.00 72.50 70.63 3aap s THR 155 CO 0.24 -0.53 1.87 1.23 -0.54 0.00 0.00 174.62 176.89 3aap h GLY 156 N -0.92 0.15 1.00 3.99 0.00 -1.96 -1.06 103.07 104.27 3aap h GLY 156 Ca -0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 3aap h GLY 156 CO 0.61 0.10 0.37 3.43 0.00 0.00 0.00 176.54 181.05 3aap h ASN 157 N 0.13 0.84 -0.43 0.19 2.35 -1.90 0.83 115.58 117.59 3aap h ASN 157 Ca 0.02 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3aap h ASN 157 Cb 0.51 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3aap h ASN 157 CO 0.04 0.69 0.28 0.44 -1.65 0.00 0.00 177.43 177.23 3aap h ASP 158 N 0.93 0.50 -0.81 5.81 3.32 -1.77 -1.62 116.42 122.78 3aap h ASP 158 Ca 0.24 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.29 3aap h ASP 158 Cb 0.04 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 3aap h ASP 158 CO -0.04 0.37 0.53 -0.08 -1.72 0.00 0.00 179.24 178.30 3aap h GLU 159 N 0.58 1.02 -0.41 3.56 4.81 -0.81 -1.95 114.58 121.37 3aap h GLU 159 Ca 0.16 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3aap h GLU 159 Cb -0.06 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 3aap h GLU 159 CO -0.03 0.67 0.25 0.00 -0.73 0.00 0.00 179.01 179.17 3aap h ALA 160 N 1.32 0.52 -0.42 2.92 0.00 -0.48 0.10 119.26 123.23 3aap h ALA 160 Ca 0.32 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3aap h ALA 160 Cb -0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 3aap h ALA 160 CO -0.10 -0.07 0.00 1.25 0.00 0.00 0.00 179.25 180.34 3aap h LEU 161 N 0.51 -0.17 -0.95 0.00 5.85 -0.83 -0.99 115.31 118.73 3aap h LEU 161 Ca 0.16 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 3aap h LEU 161 Cb -0.01 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3aap h LEU 161 CO -0.06 -0.05 0.01 -0.26 -0.34 0.00 0.00 178.44 177.74 3aap h PHE 162 N 0.11 0.82 -0.33 1.25 0.04 -0.69 -1.27 116.94 116.87 3aap h PHE 162 Ca 0.21 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.90 3aap h PHE 162 Cb 0.30 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3aap h PHE 162 CO -0.28 0.75 0.14 -0.44 -0.60 0.00 0.00 178.31 177.89 3aap h ASP 163 N 0.72 0.19 -0.42 2.17 3.32 -0.38 -0.30 116.42 121.72 3aap h ASP 163 Ca 0.14 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3aap h ASP 163 Cb 0.43 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3aap h ASP 163 CO 0.02 0.15 0.01 -0.25 -1.72 0.00 0.00 179.24 177.44 3aap h TRP 164 N 0.31 0.81 -0.52 4.55 7.01 -0.72 -2.07 115.95 125.32 3aap h TRP 164 Ca 0.14 -0.14 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 3aap h TRP 164 Cb 0.08 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 3aap h TRP 164 CO -0.11 0.80 0.17 -0.07 -2.79 0.00 0.00 178.44 176.44 3aap h LEU 165 N 0.58 0.75 -0.42 0.65 3.38 -1.01 -1.28 115.31 117.96 3aap h LEU 165 Ca 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3aap h LEU 165 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3aap h LEU 165 CO 0.02 0.75 0.27 0.00 0.09 0.00 0.00 178.44 179.57 3aap h ALA 166 N 1.03 0.54 -0.20 1.53 0.00 -0.87 0.31 119.26 121.60 3aap h ALA 166 Ca 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3aap h ALA 166 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3aap h ALA 166 CO -0.01 0.01 -0.13 0.28 0.00 0.00 0.00 179.25 179.40 3aap h VAL 167 N 0.57 1.32 -0.18 0.00 2.07 -1.27 -2.07 116.25 116.69 3aap h VAL 167 Ca 0.15 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 3aap h VAL 167 Cb -0.04 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3aap h VAL 167 CO -0.03 0.37 -0.28 0.78 0.02 0.00 0.00 177.57 178.44 3aap h ASN 168 N 0.12 0.34 -0.46 0.57 4.21 -1.13 -0.41 115.58 118.81 3aap h ASN 168 Ca 0.04 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 3aap h ASN 168 Cb 0.64 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 3aap h ASN 168 CO 0.04 0.61 0.25 0.22 -1.29 0.00 0.00 177.43 177.26 3aap h TYR 169 N 0.30 0.63 -0.59 1.19 3.20 -0.80 -1.51 116.97 119.39 3aap h TYR 169 Ca 0.04 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3aap h TYR 169 Cb 0.65 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3aap h TYR 169 CO 0.01 0.47 0.14 0.87 -1.64 0.00 0.00 178.16 178.02 3aap h LYS 170 N 0.60 0.91 -0.00 1.82 1.79 -0.64 -2.50 116.57 118.55 3aap h LYS 170 Ca 0.16 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3aap h LYS 170 Cb 0.05 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3aap h LYS 170 CO -0.03 0.81 -0.00 1.28 -1.08 0.00 0.00 179.45 180.43 3aap n LEU 171 N -4.26 0.01 -3.69 2.94 4.77 -0.23 -4.92 117.00 111.63 3aap n LEU 171 Ca 0.04 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 3aap n LEU 171 Cb 0.24 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3aap n LEU 171 CO 0.41 0.00 0.12 -0.67 -1.33 0.00 0.00 177.39 175.92 3aap n ASP 172 N -1.25 -4.19 -0.67 -1.43 2.03 -0.65 -4.90 116.55 105.49 3aap n ASP 172 Ca 0.15 -0.68 0.06 0.00 0.52 0.00 0.00 54.79 54.84 3aap n ASP 172 Cb 0.23 -4.52 0.16 0.00 -0.72 0.00 0.00 41.12 36.27 3aap n ASP 172 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3aap n THR 173 N -4.63 0.97 -0.06 5.18 -2.24 -0.74 -4.64 114.28 108.14 3aap n THR 173 Ca -0.09 -0.99 -0.10 0.00 -2.27 0.00 0.00 64.05 60.61 3aap n THR 173 Cb 0.59 0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 69.19 3aap n THR 173 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3aap n LEU 174 N 0.58 0.65 0.10 3.22 4.77 -1.26 -4.44 117.00 120.62 3aap n LEU 174 Ca 0.12 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 3aap n LEU 174 Cb 0.43 0.22 0.45 0.00 -2.33 0.00 0.00 43.42 42.20 3aap n LEU 174 CO 0.08 0.47 0.87 0.29 -1.33 0.00 0.00 177.39 177.77 3aap n LYS 175 N -2.95 0.19 -4.23 3.23 5.02 -1.26 -4.71 118.16 113.45 3aap n LYS 175 Ca -0.25 0.29 -0.18 0.00 -2.02 0.00 0.00 58.31 56.15 3aap n LYS 175 Cb 1.09 -1.78 -0.12 0.00 -0.02 0.00 0.00 35.03 34.20 3aap n LYS 175 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3aap s SER 176 N -4.14 1.52 0.14 4.39 0.01 -1.26 -5.01 113.70 109.35 3aap s SER 176 Ca 0.08 -0.52 -0.31 0.00 1.31 0.00 0.00 55.95 56.50 3aap s SER 176 Cb 0.11 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.19 3aap s SER 176 CO 0.48 -0.04 1.50 -0.69 0.41 0.00 0.00 173.24 174.89 3aap s VAL 177 N -1.07 2.93 -0.24 3.43 1.01 -1.26 -4.95 120.40 120.25 3aap s VAL 177 Ca -0.01 0.65 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 3aap s VAL 177 Cb -0.09 -3.42 -0.16 0.00 0.00 0.00 0.00 36.38 32.71 3aap s VAL 177 CO 0.02 0.05 -0.10 0.00 0.00 0.00 0.00 175.10 175.06 3aap n GLN 178 N 4.08 0.61 0.00 2.72 1.13 -1.26 -4.98 117.38 119.68 3aap n GLN 178 Ca 0.13 0.34 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 3aap n GLN 178 Cb 0.40 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.16 3aap n GLN 178 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3aap n ASN 179 N -4.10 0.00 -4.79 1.08 4.13 -1.26 -4.96 115.26 105.36 3aap n ASN 179 Ca -0.45 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.42 3aap n ASN 179 Cb 0.86 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 39.04 3aap n ASN 179 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3aap s LYS 180 N 0.00 4.34 -0.23 3.52 0.00 -1.26 -5.06 119.74 121.04 3aap s LYS 180 Ca 0.00 0.87 -0.18 0.00 0.00 0.00 0.00 55.97 56.66 3aap s LYS 180 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 37.83 34.53 3aap s LYS 180 CO 0.00 0.55 0.53 0.45 0.00 0.00 0.00 175.35 176.88 3aap s SER 181 N -0.89 6.50 -0.20 0.03 0.15 -1.26 -4.97 113.70 113.06 3aap s SER 181 Ca 0.32 0.61 -0.07 0.00 0.70 0.00 0.00 55.95 57.51 3aap s SER 181 Cb -0.20 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 3aap s SER 181 CO 0.21 -0.25 0.04 -0.69 1.20 0.00 0.00 173.24 173.75 3aap s VAL 182 N 2.05 4.46 0.10 4.45 1.01 -1.26 -0.38 120.40 130.83 3aap s VAL 182 Ca 0.23 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.15 3aap s VAL 182 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3aap s VAL 182 CO 0.09 0.43 -0.18 -0.83 0.00 0.00 0.00 175.10 174.61 3aap s GLY 183 N 0.75 1.67 -0.02 4.51 0.00 -0.37 -4.29 107.32 109.57 3aap s GLY 183 Ca 0.02 -1.33 0.05 0.00 0.00 0.00 0.00 44.72 43.46 3aap s GLY 183 CO 0.02 -1.30 -0.17 0.14 0.00 0.00 0.00 173.10 171.80 3aap s VAL 184 N -1.10 1.34 -0.08 1.40 1.01 -0.33 -1.24 120.40 121.39 3aap s VAL 184 Ca 0.17 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3aap s VAL 184 Cb -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3aap s VAL 184 CO 0.09 0.38 -0.20 -0.04 0.00 0.00 0.00 175.10 175.33 3aap s MET 185 N -0.27 2.49 -0.27 2.72 -1.94 -0.17 -1.37 119.30 120.48 3aap s MET 185 Ca 0.04 -0.74 -0.06 0.00 -1.71 0.00 0.00 55.69 53.22 3aap s MET 185 Cb -0.08 -1.97 -0.00 0.00 2.01 0.00 0.00 34.83 34.80 3aap s MET 185 CO 0.00 0.18 0.05 0.34 -0.01 0.00 0.00 175.02 175.59 3aap s ASP 186 N 0.30 4.97 -1.10 3.03 2.15 -0.18 -1.05 116.67 124.79 3aap s ASP 186 Ca -0.14 -0.57 -0.13 0.00 0.43 0.00 0.00 52.55 52.14 3aap s ASP 186 Cb -0.16 -1.86 0.19 0.00 -0.30 0.00 0.00 42.92 40.80 3aap s ASP 186 CO 0.06 -0.13 1.24 -0.04 -0.17 0.00 0.00 175.17 176.13 3aap s MET 187 N 1.51 3.99 0.83 4.34 -1.94 -0.28 -1.16 119.30 126.59 3aap s MET 187 Ca 0.04 -2.59 -0.10 0.00 -1.71 0.00 0.00 55.69 51.33 3aap s MET 187 Cb -0.16 -4.86 0.14 0.00 2.01 0.00 0.00 34.83 31.96 3aap s MET 187 CO 0.02 -1.60 1.16 0.20 -0.01 0.00 0.00 175.02 174.79 3aap s GLY 188 N 2.54 1.74 0.14 -0.03 0.00 -0.95 -1.30 107.32 109.46 3aap s GLY 188 Ca 0.36 -1.21 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 3aap s GLY 188 CO -0.04 -0.59 1.34 -1.33 0.00 0.00 0.00 173.10 172.47 3aap h GLY 189 N -1.08 0.41 0.00 0.20 0.00 -1.95 -0.18 103.07 100.46 3aap h GLY 189 Ca -0.43 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.15 3aap h GLY 189 CO 0.46 0.61 -1.22 0.00 0.00 0.00 0.00 176.54 176.40 3aap n ALA 190 N -2.52 1.92 -2.35 3.60 0.00 -1.26 -0.21 120.51 119.69 3aap n ALA 190 Ca -0.06 -0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 3aap n ALA 190 Cb 0.81 0.22 -0.10 0.00 0.00 0.00 0.00 19.45 20.38 3aap n ALA 190 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3aap s SER 191 N -3.56 2.38 0.06 0.00 1.04 -1.26 -0.60 113.70 111.76 3aap s SER 191 Ca -0.02 -0.99 0.09 0.00 0.48 0.00 0.00 55.95 55.50 3aap s SER 191 Cb 0.01 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 3aap s SER 191 CO 0.12 -0.19 -0.23 0.68 0.98 0.00 0.00 173.24 174.61 3aap s VAL 192 N -2.90 2.45 0.15 5.02 -7.23 -1.01 -2.25 120.40 114.64 3aap s VAL 192 Ca 0.20 -1.38 0.10 0.00 -1.81 0.00 0.00 61.98 59.09 3aap s VAL 192 Cb -0.01 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3aap s VAL 192 CO 0.05 0.29 -0.23 -1.10 -0.31 0.00 0.00 175.10 173.81 3aap s GLN 193 N -1.50 1.35 0.00 4.82 1.11 -0.31 -0.82 119.66 124.32 3aap s GLN 193 Ca 0.14 -1.38 0.01 0.00 0.01 0.00 0.00 55.36 54.13 3aap s GLN 193 Cb -0.10 -1.65 -0.00 0.00 -1.01 0.00 0.00 33.01 30.24 3aap s GLN 193 CO 0.04 0.37 -0.02 -1.50 0.01 0.00 0.00 175.29 174.19 3aap s ILE 194 N -1.48 0.14 -0.20 1.08 2.07 -0.12 -1.01 121.20 121.68 3aap s ILE 194 Ca 0.15 -0.22 -0.13 0.00 -1.41 0.00 0.00 60.65 59.04 3aap s ILE 194 Cb -0.08 -0.16 0.06 0.00 0.13 0.00 0.00 42.46 42.41 3aap s ILE 194 CO 0.07 -0.05 0.49 0.54 -1.91 0.00 0.00 174.94 174.08 3aap s VAL 195 N -0.28 -0.01 0.06 4.00 0.11 -0.47 -1.37 120.40 122.44 3aap s VAL 195 Ca -0.02 0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 58.86 3aap s VAL 195 Cb -0.02 -0.71 0.05 0.00 -1.53 0.00 0.00 36.38 34.17 3aap s VAL 195 CO -0.00 0.02 0.51 0.72 -3.33 0.00 0.00 175.10 173.02 3aap s PHE 196 N 1.13 -0.40 0.36 1.54 -0.12 -0.74 -1.19 117.98 118.55 3aap s PHE 196 Ca -0.07 0.40 -0.28 0.00 -0.05 0.00 0.00 56.93 56.92 3aap s PHE 196 Cb -0.06 0.34 -0.11 0.00 -0.63 0.00 0.00 43.02 42.56 3aap s PHE 196 CO -0.10 -0.66 1.45 -2.14 -0.05 0.00 0.00 175.22 173.72 3aap s PRO 197 N -2.65 4.17 -0.27 1.99 0.02 -1.26 -0.30 135.00 136.69 3aap s PRO 197 Ca -0.04 2.48 -0.14 0.00 0.02 0.00 0.00 61.00 63.32 3aap s PRO 197 Cb -0.00 -3.00 0.09 0.00 0.02 0.00 0.00 34.50 31.60 3aap s PRO 197 CO -0.03 -0.45 0.65 1.41 -0.33 0.00 0.00 177.00 178.24 3aap s MET 198 N -1.86 0.64 0.72 5.54 1.75 -0.43 -4.70 119.30 120.96 3aap s MET 198 Ca 0.53 1.24 -0.16 0.00 -1.25 0.00 0.00 55.69 56.05 3aap s MET 198 Cb -0.45 0.30 0.02 0.00 2.84 0.00 0.00 34.83 37.54 3aap s MET 198 CO 0.59 -0.17 1.10 -2.30 -0.65 0.00 0.00 175.02 173.60 3aap n PRO 199 N 4.61 0.60 -1.66 4.11 -0.02 -1.26 -4.06 135.00 137.32 3aap n PRO 199 Ca -0.18 0.27 -0.46 0.00 -2.02 0.00 0.00 63.50 61.11 3aap n PRO 199 Cb 0.56 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3aap n PRO 199 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3aap n LYS 200 N -2.17 1.94 -3.86 -0.52 4.81 -1.26 -4.97 118.16 112.13 3aap n LYS 200 Ca 0.14 0.69 -0.26 0.00 -0.87 0.00 0.00 58.31 58.01 3aap n LYS 200 Cb 0.49 -2.37 -0.17 0.00 0.02 0.00 0.00 35.03 33.01 3aap n LYS 200 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3aap s ASN 201 N 0.45 2.28 0.57 3.14 3.84 -1.26 -5.02 114.94 118.94 3aap s ASN 201 Ca 0.73 -0.39 0.35 0.00 0.21 0.00 0.00 52.86 53.76 3aap s ASN 201 Cb -0.69 -0.76 1.62 0.00 -0.55 0.00 0.00 41.25 40.87 3aap s ASN 201 CO 0.46 -0.17 2.08 0.00 -2.79 0.00 0.00 177.10 176.69 3aap h ALA 202 N 8.20 1.03 -0.06 1.71 0.00 -2.00 -2.58 119.26 125.56 3aap h ALA 202 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3aap h ALA 202 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3aap h ALA 202 CO 0.37 0.03 0.00 0.39 0.00 0.00 0.00 179.25 180.04 3aap n GLU 203 N -3.16 1.49 -4.71 0.00 1.02 -1.26 -4.83 120.64 109.18 3aap n GLU 203 Ca -0.01 -0.72 -0.33 0.00 -0.02 0.00 0.00 57.16 56.09 3aap n GLU 203 Cb 0.25 -1.43 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 3aap n GLU 203 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3aap s ILE 204 N -1.93 3.27 0.24 -3.67 -1.09 -0.97 -5.08 121.20 111.96 3aap s ILE 204 Ca 0.36 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.73 3aap s ILE 204 Cb 0.19 -2.34 -0.15 0.00 -1.58 0.00 0.00 42.46 38.58 3aap s ILE 204 CO 0.30 0.51 0.99 -0.24 -1.23 0.00 0.00 174.94 175.27 3aap n SER 205 N 2.01 0.93 0.23 3.58 2.88 -1.26 -4.84 113.62 117.15 3aap n SER 205 Ca -0.17 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.64 3aap n SER 205 Cb 0.52 -1.21 0.69 0.00 -0.75 0.00 0.00 64.21 63.46 3aap n SER 205 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3aap h LYS 206 N 2.29 0.00 0.00 -1.46 -0.00 -1.92 -2.32 116.57 113.16 3aap h LYS 206 Ca -0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.24 3aap h LYS 206 Cb 1.36 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.58 3aap h LYS 206 CO 0.63 0.00 -0.10 0.45 -0.00 0.00 0.00 179.45 180.43 3aap h HIS 207 N 0.00 0.00 -0.58 0.07 3.86 -1.98 -2.68 115.15 113.84 3aap h HIS 207 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3aap h HIS 207 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3aap h HIS 207 CO 0.00 0.10 0.00 0.09 0.86 0.00 0.00 177.93 178.98 3aap n ASN 208 N -3.20 3.80 -4.03 2.45 4.13 -0.87 -4.89 115.26 112.65 3aap n ASN 208 Ca 0.01 -2.24 -0.20 0.00 1.68 0.00 0.00 54.58 53.83 3aap n ASN 208 Cb 0.41 -0.49 -0.15 0.00 -1.54 0.00 0.00 39.78 38.01 3aap n ASN 208 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3aap s GLN 209 N -1.57 0.93 0.04 3.52 -0.21 -1.01 -0.66 119.66 120.69 3aap s GLN 209 Ca 0.42 -0.36 0.06 0.00 0.02 0.00 0.00 55.36 55.51 3aap s GLN 209 Cb 0.25 -0.88 -0.02 0.00 1.00 0.00 0.00 33.01 33.36 3aap s GLN 209 CO 0.23 0.18 -0.18 0.08 -2.12 0.00 0.00 175.29 173.49 3aap s VAL 210 N -0.07 1.42 -0.06 1.09 1.01 -0.24 -4.95 120.40 118.59 3aap s VAL 210 Ca 0.01 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.97 3aap s VAL 210 Cb -0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3aap s VAL 210 CO 0.00 0.15 -0.21 -1.61 0.00 0.00 0.00 175.10 173.42 3aap s GLU 211 N -1.07 2.38 0.19 2.72 2.02 -1.26 -1.25 118.70 122.44 3aap s GLU 211 Ca 0.05 -0.77 -0.16 0.00 0.02 0.00 0.00 54.97 54.11 3aap s GLU 211 Cb -0.08 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.22 3aap s GLU 211 CO 0.01 0.26 0.49 -0.48 0.02 0.00 0.00 175.26 175.56 3aap s LEU 212 N 0.10 0.22 -0.11 1.80 0.05 -0.82 -5.01 118.68 114.91 3aap s LEU 212 Ca -0.09 -0.56 0.01 0.00 0.05 0.00 0.00 54.13 53.54 3aap s LEU 212 Cb -0.14 1.99 0.02 0.00 -2.05 0.00 0.00 46.19 46.00 3aap s LEU 212 CO 0.05 -1.04 -0.13 0.21 -0.55 0.00 0.00 176.35 174.89 3aap s ASN 213 N -2.90 2.28 -0.03 1.48 3.84 -1.26 -0.42 114.94 117.93 3aap s ASN 213 Ca 0.11 -0.38 0.02 0.00 0.21 0.00 0.00 52.86 52.82 3aap s ASN 213 Cb -0.00 -1.00 0.01 0.00 -0.55 0.00 0.00 41.25 39.71 3aap s ASN 213 CO -0.02 -0.02 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.57 3aap s ILE 214 N 1.13 0.66 -1.39 -5.21 -1.09 -0.37 -4.75 121.20 110.19 3aap s ILE 214 Ca -0.04 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 3aap s ILE 214 Cb -0.14 -0.62 0.09 0.00 -1.58 0.00 0.00 42.46 40.21 3aap s ILE 214 CO -0.03 0.22 0.60 -1.22 -1.23 0.00 0.00 174.94 173.29 3aap n TYR 215 N 3.50 -1.85 -0.56 3.97 4.01 -1.26 -1.21 117.16 123.77 3aap n TYR 215 Ca -0.20 0.58 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 3aap n TYR 215 Cb 0.54 -3.11 0.00 0.00 -0.31 0.00 0.00 39.34 36.46 3aap n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3aap n GLY 216 N -1.28 1.40 3.53 2.72 0.00 -1.26 -4.92 105.19 105.38 3aap n GLY 216 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3aap n GLY 216 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3aap s GLN 217 N -0.19 3.21 0.17 1.61 -2.07 -0.35 -5.08 119.66 116.96 3aap s GLN 217 Ca 0.00 -0.54 -0.30 0.00 -1.82 0.00 0.00 55.36 52.70 3aap s GLN 217 Cb 0.00 -2.74 -0.08 0.00 -1.09 0.00 0.00 33.01 29.10 3aap s GLN 217 CO 0.00 0.45 1.28 -0.80 -1.32 0.00 0.00 175.29 174.90 3aap s ASN 218 N -0.22 6.95 -0.02 12.60 0.01 -1.26 -1.23 114.94 131.77 3aap s ASN 218 Ca 0.03 2.32 0.06 0.00 -0.71 0.00 0.00 52.86 54.56 3aap s ASN 218 Cb -0.13 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 3aap s ASN 218 CO 0.03 -0.50 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.30 3aap s ILE 219 N 0.29 1.46 -0.13 0.60 -1.09 0.44 -4.99 121.20 117.77 3aap s ILE 219 Ca 0.57 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 3aap s ILE 219 Cb -0.35 -1.22 0.02 0.00 -1.58 0.00 0.00 42.46 39.33 3aap s ILE 219 CO 0.36 0.41 -0.15 0.20 -1.23 0.00 0.00 174.94 174.54 3aap s ASN 220 N -0.40 2.58 0.06 3.58 0.01 -1.26 -1.95 114.94 117.56 3aap s ASN 220 Ca 0.06 -0.46 0.09 0.00 -0.71 0.00 0.00 52.86 51.84 3aap s ASN 220 Cb -0.07 -1.14 -0.03 0.00 0.41 0.00 0.00 41.25 40.42 3aap s ASN 220 CO -0.00 -0.03 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.56 3aap s LEU 221 N 1.28 2.19 -0.00 0.60 1.43 -0.38 -1.32 118.68 122.47 3aap s LEU 221 Ca 0.00 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 3aap s LEU 221 Cb -0.14 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 3aap s LEU 221 CO -0.07 0.20 0.59 -0.47 0.23 0.00 0.00 176.35 176.84 3aap s TYR 222 N -0.85 3.68 0.02 0.29 5.04 0.59 -1.08 117.35 125.03 3aap s TYR 222 Ca 0.10 1.20 0.05 0.00 -2.44 0.00 0.00 57.07 55.98 3aap s TYR 222 Cb -0.09 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.59 3aap s TYR 222 CO 0.02 0.35 -0.15 0.14 -1.34 0.00 0.00 175.55 174.57 3aap s VAL 223 N -0.19 1.21 -0.04 3.14 -7.23 0.16 -1.79 120.40 115.66 3aap s VAL 223 Ca 0.31 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 3aap s VAL 223 Cb -0.18 -1.05 0.04 0.00 0.56 0.00 0.00 36.38 35.75 3aap s VAL 223 CO 0.17 0.17 0.42 -2.28 -0.31 0.00 0.00 175.10 173.27 3aap s HIS 224 N -0.62 -0.33 0.02 2.82 2.46 -0.47 -4.52 115.29 114.65 3aap s HIS 224 Ca 0.04 0.58 0.02 0.00 0.47 0.00 0.00 55.06 56.17 3aap s HIS 224 Cb -0.07 0.18 -0.01 0.00 -0.13 0.00 0.00 32.58 32.55 3aap s HIS 224 CO 0.01 -0.43 -0.07 0.45 -2.47 0.00 0.00 174.74 172.23 3aap s SER 225 N -1.12 0.77 -0.33 9.88 0.15 -1.26 -0.94 113.70 120.85 3aap s SER 225 Ca -0.11 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.24 3aap s SER 225 Cb -0.04 -0.02 0.09 0.00 -1.71 0.00 0.00 66.02 64.34 3aap s SER 225 CO 0.05 -0.06 0.03 -0.36 1.20 0.00 0.00 173.24 174.10 3aap s PHE 226 N -0.73 3.59 -0.01 3.44 0.08 0.00 -4.95 117.98 119.41 3aap s PHE 226 Ca -0.04 -2.69 -0.30 0.00 0.12 0.00 0.00 56.93 54.02 3aap s PHE 226 Cb -0.06 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 3aap s PHE 226 CO 0.00 -0.93 1.18 -1.17 -0.10 0.00 0.00 175.22 174.20 3aap s LEU 227 N 1.00 4.32 0.00 -0.37 2.96 -1.26 -2.40 118.68 122.94 3aap s LEU 227 Ca 0.05 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 3aap s LEU 227 Cb -0.20 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3aap s LEU 227 CO -0.06 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 3aap n GLY 228 N 3.26 2.72 0.30 7.98 0.00 0.24 -4.91 105.19 114.77 3aap n GLY 228 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3aap n GLY 228 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3aap n LEU 229 N 0.00 1.10 -4.51 0.99 4.77 -1.05 -2.68 117.00 115.61 3aap n LEU 229 Ca 0.00 -0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.33 3aap n LEU 229 Cb 0.00 -0.09 0.10 0.00 -2.33 0.00 0.00 43.42 41.10 3aap n LEU 229 CO 0.00 0.20 0.21 0.61 -1.33 0.00 0.00 177.39 177.08 3aap n GLY 230 N 1.28 -1.26 0.30 -0.72 0.00 -0.66 -4.66 105.19 99.47 3aap n GLY 230 Ca 0.15 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 3aap n GLY 230 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3aap h GLN 231 N -0.91 0.68 0.02 1.61 3.07 -0.64 0.07 115.11 119.01 3aap h GLN 231 Ca -0.45 -0.11 -0.00 0.00 0.09 0.00 0.00 58.65 58.18 3aap h GLN 231 Cb 1.31 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.76 3aap h GLN 231 CO 0.41 0.60 -0.01 1.15 0.09 0.00 0.00 178.83 181.07 3aap h THR 232 N 0.66 1.47 -0.30 1.86 2.02 -0.83 -2.17 112.91 115.62 3aap h THR 232 Ca 0.15 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 3aap h THR 232 Cb 0.21 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 3aap h THR 232 CO -0.01 0.39 0.17 -0.33 0.37 0.00 0.00 175.52 176.11 3aap h GLU 233 N -0.70 0.41 -0.27 6.66 4.39 -1.24 -2.73 114.58 121.11 3aap h GLU 233 Ca -0.00 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 3aap h GLU 233 Cb 0.66 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3aap h GLU 233 CO 0.00 0.35 -0.05 0.00 -1.16 0.00 0.00 179.01 178.16 3aap h MET 234 N 0.37 0.41 0.00 2.33 -0.00 -0.76 -2.67 114.93 114.61 3aap h MET 234 Ca 0.11 -0.09 -0.01 0.00 -0.00 0.00 0.00 59.70 59.71 3aap h MET 234 Cb 0.05 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 31.59 3aap h MET 234 CO -0.02 0.48 -0.04 0.66 -0.00 0.00 0.00 176.91 178.00 3aap h SER 235 N 0.40 0.00 0.28 -0.10 4.64 -1.06 -1.32 113.55 116.39 3aap h SER 235 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3aap h SER 235 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3aap h SER 235 CO 0.01 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.42 3aap n HIS 236 N -3.91 0.15 0.74 4.77 -0.00 -1.01 -1.35 115.22 114.62 3aap n HIS 236 Ca -0.03 0.07 0.11 0.00 -0.00 0.00 0.00 57.72 57.87 3aap n HIS 236 Cb 0.13 -0.61 0.06 0.00 -0.00 0.00 0.00 29.99 29.57 3aap n HIS 236 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3aap n GLN 237 N -1.64 0.17 -0.02 -0.41 1.13 -0.50 -4.51 117.38 111.61 3aap n GLN 237 Ca 0.02 -0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.10 3aap n GLN 237 Cb 0.10 -1.56 0.03 0.00 0.11 0.00 0.00 30.24 28.92 3aap n GLN 237 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3aap n PHE 238 N -1.78 0.06 0.28 1.08 3.72 -0.45 -4.75 117.46 115.61 3aap n PHE 238 Ca 0.03 -0.17 0.16 0.00 -0.05 0.00 0.00 57.45 57.43 3aap n PHE 238 Cb 0.40 -0.01 0.82 0.00 -0.94 0.00 0.00 39.48 39.74 3aap n PHE 238 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3aap h LEU 239 N 0.78 0.00 -3.26 4.37 3.38 -1.77 -1.70 115.31 117.12 3aap h LEU 239 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3aap h LEU 239 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3aap h LEU 239 CO 0.00 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.18 3aap n ASN 240 N -3.32 4.19 -4.49 -0.43 5.03 -1.26 -4.34 115.26 110.64 3aap n ASN 240 Ca -0.01 -2.82 -0.43 0.00 0.87 0.00 0.00 54.58 52.18 3aap n ASN 240 Cb 0.23 -0.53 -0.05 0.00 -1.02 0.00 0.00 39.78 38.40 3aap n ASN 240 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3aap s SER 241 N -1.52 6.28 0.50 6.41 0.01 -0.64 -4.95 113.70 119.80 3aap s SER 241 Ca 0.43 -0.61 0.25 0.00 1.31 0.00 0.00 55.95 57.33 3aap s SER 241 Cb 0.33 -2.35 1.33 0.00 0.21 0.00 0.00 66.02 65.53 3aap s SER 241 CO 0.12 -1.00 2.03 -0.65 0.41 0.00 0.00 173.24 174.15 3aap h PRO 242 N 9.10 0.00 0.00 12.44 0.11 -1.87 -1.64 132.00 150.13 3aap h PRO 242 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3aap h PRO 242 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3aap h PRO 242 CO 1.00 0.15 0.00 0.43 -0.21 0.00 0.00 178.00 179.37 3aap n SER 243 N -3.67 0.42 -0.97 -2.05 7.64 -1.25 -0.71 113.62 113.02 3aap n SER 243 Ca -0.02 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.60 3aap n SER 243 Cb 0.27 -0.71 0.25 0.00 -1.01 0.00 0.00 64.21 63.01 3aap n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3aap s PHE 245 N -1.63 0.73 0.67 0.00 0.08 -1.14 -2.36 117.98 114.32 3aap s PHE 245 Ca 0.36 -0.69 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 3aap s PHE 245 Cb 0.21 -0.43 -0.02 0.00 -0.57 0.00 0.00 43.02 42.20 3aap s PHE 245 CO 0.30 -0.13 0.89 0.00 -0.10 0.00 0.00 175.22 176.18 3aap n ALA 246 N 0.83 -0.27 -1.65 5.36 0.00 -1.26 -1.14 120.51 122.37 3aap n ALA 246 Ca -0.18 -0.11 -0.48 0.00 0.00 0.00 0.00 53.44 52.67 3aap n ALA 246 Cb 0.57 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 3aap n ALA 246 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3aap n ASN 247 N -1.07 2.78 0.00 0.00 3.02 -0.63 -1.32 115.26 118.04 3aap n ASN 247 Ca 0.13 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 3aap n ASN 247 Cb 0.49 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 3aap n ASN 247 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3aap n ASP 248 N 3.37 -2.72 -4.73 6.41 8.00 -0.30 -0.25 116.55 126.34 3aap n ASP 248 Ca 0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 3aap n ASP 248 Cb 0.26 -1.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.11 3aap n ASP 248 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3aap s TYR 249 N -2.12 3.06 -0.49 1.24 5.04 -0.43 -4.59 117.35 119.06 3aap s TYR 249 Ca 0.00 0.82 -0.29 0.00 -2.44 0.00 0.00 57.07 55.17 3aap s TYR 249 Cb 0.00 -3.86 0.02 0.00 0.35 0.00 0.00 41.96 38.47 3aap s TYR 249 CO 0.00 -3.01 1.26 -1.25 -1.34 0.00 0.00 175.55 171.21 3aap s PRO 250 N 0.51 3.59 0.56 4.97 0.04 -1.26 -0.07 135.00 143.34 3aap s PRO 250 Ca 0.65 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 3aap s PRO 250 Cb -0.42 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.08 3aap s PRO 250 CO 0.36 -1.56 1.03 -0.51 0.04 0.00 0.00 177.00 176.36 3aap s LEU 251 N 5.04 3.55 0.46 -3.56 1.43 -0.44 -4.94 118.68 120.22 3aap s LEU 251 Ca 0.51 1.75 0.19 0.00 -1.03 0.00 0.00 54.13 55.55 3aap s LEU 251 Cb -0.09 -4.53 1.16 0.00 0.03 0.00 0.00 46.19 42.76 3aap s LEU 251 CO 0.30 -0.97 1.94 -0.65 0.23 0.00 0.00 176.35 177.20 3aap h PRO 252 N 0.64 0.28 -0.00 1.29 0.11 -1.87 -1.56 132.00 130.89 3aap h PRO 252 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3aap h PRO 252 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3aap h PRO 252 CO 0.59 0.19 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3aap n ASP 253 N -4.44 0.05 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.64 3aap n ASP 253 Ca 0.13 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 3aap n ASP 253 Cb 0.56 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3aap n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3aap n GLY 254 N 1.08 0.93 3.85 6.12 0.00 -0.59 -5.07 105.19 111.52 3aap n GLY 254 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3aap n GLY 254 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3aap s GLU 255 N -0.97 1.53 -0.03 1.61 0.41 -1.26 -4.82 118.70 115.17 3aap s GLU 255 Ca 0.00 0.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 3aap s GLU 255 Cb 0.00 -1.90 -0.03 0.00 -1.78 0.00 0.00 34.13 30.42 3aap s GLU 255 CO 0.00 -1.90 -0.00 -1.12 -0.49 0.00 0.00 175.26 171.74 3aap s SER 256 N -4.38 5.11 0.50 -0.19 0.01 -1.26 -1.32 113.70 112.16 3aap s SER 256 Ca 0.63 0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.71 3aap s SER 256 Cb -0.12 -1.36 -0.08 0.00 0.21 0.00 0.00 66.02 64.67 3aap s SER 256 CO 0.51 0.32 1.14 0.61 0.41 0.00 0.00 173.24 176.23 3aap n GLY 257 N 1.69 0.17 2.51 3.44 0.00 0.89 -4.76 105.19 109.14 3aap n GLY 257 Ca -0.16 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3aap n GLY 257 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3aap n GLN 258 N -0.45 0.58 -2.09 1.61 7.27 0.11 -1.15 117.38 123.27 3aap n GLN 258 Ca 0.10 -2.53 -0.39 0.00 0.07 0.00 0.00 57.00 54.25 3aap n GLN 258 Cb 0.43 -1.44 -0.00 0.00 2.41 0.00 0.00 30.24 31.64 3aap n GLN 258 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3aap s GLY 259 N -0.63 2.88 -0.29 1.69 0.00 -0.30 -3.92 107.32 106.76 3aap s GLY 259 Ca 0.33 1.14 0.01 0.00 0.00 0.00 0.00 44.72 46.20 3aap s GLY 259 CO -0.16 1.68 0.53 0.21 0.00 0.00 0.00 173.10 175.36 3aap s ASN 260 N -0.96 -0.87 0.18 1.64 2.47 0.04 -4.30 114.94 113.13 3aap s ASN 260 Ca 0.61 0.36 -0.14 0.00 0.42 0.00 0.00 52.86 54.11 3aap s ASN 260 Cb -0.35 1.77 0.14 0.00 -1.45 0.00 0.00 41.25 41.36 3aap s ASN 260 CO 0.44 -0.29 1.75 0.00 -3.72 0.00 0.00 177.10 175.27 3aap h ALA 261 N 8.06 0.55 -0.72 1.71 0.00 -1.90 -0.70 119.26 126.27 3aap h ALA 261 Ca -0.14 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3aap h ALA 261 Cb 1.16 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3aap h ALA 261 CO 0.23 -0.24 0.47 -1.35 0.00 0.00 0.00 179.25 178.37 3aap h PRO 262 N 0.32 0.65 -0.19 0.00 0.11 -1.94 0.25 132.00 131.21 3aap h PRO 262 Ca 0.22 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 3aap h PRO 262 Cb 0.23 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 3aap h PRO 262 CO -0.23 0.43 -0.21 0.77 -0.21 0.00 0.00 178.00 178.54 3aap h SER 263 N 0.67 0.52 -0.08 -2.05 0.02 -1.64 -1.40 113.55 109.59 3aap h SER 263 Ca 0.32 -0.49 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3aap h SER 263 Cb 0.39 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3aap h SER 263 CO -0.11 0.91 0.04 0.00 -1.14 0.00 0.00 176.83 176.53 3aap h LYS 265 N 0.03 0.25 -0.94 0.00 3.64 -0.47 -0.65 116.57 118.44 3aap h LYS 265 Ca 0.03 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3aap h LYS 265 Cb 0.09 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3aap h LYS 265 CO -0.00 0.16 0.62 0.93 -2.27 0.00 0.00 179.45 178.89 3aap h GLU 266 N 0.26 1.20 -0.26 1.90 5.08 -0.84 0.19 114.58 122.11 3aap h GLU 266 Ca 0.30 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3aap h GLU 266 Cb 0.44 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3aap h GLU 266 CO -0.39 0.80 -0.06 0.93 -1.00 0.00 0.00 179.01 179.28 3aap h GLU 267 N 1.24 0.50 -0.59 2.33 5.08 -0.60 -2.07 114.58 120.48 3aap h GLU 267 Ca 0.36 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3aap h GLU 267 Cb -0.08 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3aap h GLU 267 CO -0.09 0.72 0.22 0.28 -1.00 0.00 0.00 179.01 179.14 3aap h VAL 268 N 0.26 1.23 -0.81 3.13 2.07 -0.84 -2.37 116.25 118.91 3aap h VAL 268 Ca 0.07 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 66.92 3aap h VAL 268 Cb 0.53 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3aap h VAL 268 CO 0.03 0.29 0.53 0.74 0.02 0.00 0.00 177.57 179.17 3aap h THR 269 N 0.83 0.97 -0.74 2.57 2.02 -0.49 -1.20 112.91 116.88 3aap h THR 269 Ca 0.20 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3aap h THR 269 Cb 0.23 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 3aap h THR 269 CO -0.01 0.14 0.44 0.28 0.37 0.00 0.00 175.52 176.74 3aap h SER 270 N 0.79 0.89 -0.45 4.18 0.02 -0.83 0.97 113.55 119.11 3aap h SER 270 Ca 0.37 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3aap h SER 270 Cb 0.39 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3aap h SER 270 CO -0.14 0.70 0.20 0.25 -1.14 0.00 0.00 176.83 176.69 3aap h LEU 271 N 1.01 0.61 -0.37 5.07 5.85 -1.25 0.12 115.31 126.35 3aap h LEU 271 Ca 0.26 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3aap h LEU 271 Cb -0.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3aap h LEU 271 CO -0.05 0.60 0.04 0.24 -0.34 0.00 0.00 178.44 178.93 3aap h MET 272 N 0.59 0.64 0.00 1.25 2.86 -0.65 -2.42 114.93 117.19 3aap h MET 272 Ca 0.15 -0.18 -0.31 0.00 -2.06 0.00 0.00 59.70 57.30 3aap h MET 272 Cb 0.16 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 3aap h MET 272 CO -0.02 0.71 -1.89 0.09 1.06 0.00 0.00 176.91 176.87 3aap n ASN 273 N -4.52 0.63 0.01 1.22 3.02 0.28 -1.32 115.26 114.58 3aap n ASN 273 Ca -0.01 0.30 -0.14 0.00 -0.03 0.00 0.00 54.58 54.70 3aap n ASN 273 Cb 0.25 0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 39.51 3aap n ASN 273 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3aap h SER 274 N 0.00 0.21 0.00 6.41 0.02 -1.07 -3.00 113.55 116.13 3aap h SER 274 Ca -0.35 -0.42 -0.20 0.00 -0.84 0.00 0.00 61.79 59.97 3aap h SER 274 Cb 2.07 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 64.51 3aap h SER 274 CO 0.07 1.37 -1.30 0.52 -1.14 0.00 0.00 176.83 176.35 3aap n VAL 275 N -3.28 1.50 0.64 2.27 0.31 -0.94 -4.59 118.33 114.24 3aap n VAL 275 Ca -0.21 -0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.22 3aap n VAL 275 Cb 1.05 -2.12 0.18 0.00 -0.91 0.00 0.00 33.84 32.04 3aap n VAL 275 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3aap n HIS 276 N -4.44 0.45 -3.72 3.52 -0.00 -1.05 -4.95 115.22 105.02 3aap n HIS 276 Ca -0.29 0.13 -0.26 0.00 -0.00 0.00 0.00 57.72 57.30 3aap n HIS 276 Cb 0.61 -0.58 0.05 0.00 -0.00 0.00 0.00 29.99 30.07 3aap n HIS 276 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3aap n LYS 277 N -2.01 -6.62 0.28 -0.41 5.02 -0.43 -4.91 118.16 109.08 3aap n LYS 277 Ca 0.04 0.72 -0.16 0.00 -2.02 0.00 0.00 58.31 56.89 3aap n LYS 277 Cb 0.42 -5.66 -0.08 0.00 -0.02 0.00 0.00 35.03 29.69 3aap n LYS 277 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3aap h VAL 278 N -2.32 0.45 -0.49 -0.18 2.07 -1.49 -2.33 116.25 111.96 3aap h VAL 278 Ca -0.58 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3aap h VAL 278 Cb 1.37 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3aap h VAL 278 CO 0.60 0.03 0.30 -1.13 0.02 0.00 0.00 177.57 177.39 3aap h ASN 279 N -0.84 0.49 -0.50 0.57 -0.73 -1.81 0.41 115.58 113.17 3aap h ASN 279 Ca -0.07 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.11 3aap h ASN 279 Cb 0.60 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 3aap h ASN 279 CO 0.12 0.35 0.33 1.56 -0.37 0.00 0.00 177.43 179.41 3aap h GLN 280 N 0.60 0.65 0.15 6.67 7.50 -1.86 -1.43 115.11 127.38 3aap h GLN 280 Ca 0.19 -0.04 -0.35 0.00 0.50 0.00 0.00 58.65 58.95 3aap h GLN 280 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.38 3aap h GLN 280 CO -0.08 0.43 -1.86 1.96 -1.50 0.00 0.00 178.83 177.78 3aap h GLN 281 N 0.67 0.31 0.04 1.46 4.20 -0.91 -3.43 115.11 117.46 3aap h GLN 281 Ca 0.18 -0.54 -0.37 0.00 0.06 0.00 0.00 58.65 57.98 3aap h GLN 281 Cb -0.07 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 3aap h GLN 281 CO -0.04 1.23 -2.18 -0.89 -0.67 0.00 0.00 178.83 176.28 3aap n ILE 282 N -3.51 1.60 -0.18 2.54 2.08 0.09 -4.48 119.36 117.50 3aap n ILE 282 Ca -0.27 -0.51 -0.06 0.00 0.56 0.00 0.00 62.75 62.46 3aap n ILE 282 Cb 1.06 -1.67 0.03 0.00 -0.75 0.00 0.00 39.64 38.32 3aap n ILE 282 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 3aap h GLN 283 N -0.23 0.64 -0.94 0.38 -0.00 -1.42 -1.74 115.11 111.80 3aap h GLN 283 Ca -0.52 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.10 3aap h GLN 283 Cb 1.84 -0.14 -0.05 0.00 0.00 0.00 0.00 27.48 29.13 3aap h GLN 283 CO -0.09 0.42 0.61 -1.35 0.00 0.00 0.00 178.83 178.43 3aap h PRO 284 N 0.66 1.25 -0.39 -2.39 0.11 -1.82 -0.51 132.00 128.91 3aap h PRO 284 Ca 0.20 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 3aap h PRO 284 Cb -0.03 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.80 3aap h PRO 284 CO -0.07 0.84 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.29 3aap h LEU 285 N 1.28 0.85 -0.61 2.35 3.38 -1.65 -2.84 115.31 118.07 3aap h LEU 285 Ca 0.34 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3aap h LEU 285 Cb -0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 3aap h LEU 285 CO -0.07 1.07 -0.10 -0.07 0.09 0.00 0.00 178.44 179.35 3aap h LEU 286 N 0.62 0.99 -0.66 1.67 3.38 -1.06 -0.59 115.31 119.66 3aap h LEU 286 Ca 0.09 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 57.87 3aap h LEU 286 Cb 0.75 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 3aap h LEU 286 CO 0.06 1.10 0.10 0.00 0.09 0.00 0.00 178.44 179.79 3aap h ALA 287 N 0.98 0.77 0.00 1.53 0.00 -1.02 -2.25 119.26 119.28 3aap h ALA 287 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3aap h ALA 287 Cb 0.66 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3aap h ALA 287 CO 0.05 -0.35 -0.44 1.28 0.00 0.00 0.00 179.25 179.78 3aap n LEU 288 N -5.20 0.49 -3.20 0.00 4.77 -1.04 -4.25 117.00 108.58 3aap n LEU 288 Ca 0.11 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 3aap n LEU 288 Cb 0.39 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3aap n LEU 288 CO 0.13 0.04 -0.14 0.59 -1.33 0.00 0.00 177.39 176.67 3aap n ASN 289 N -1.72 1.67 -4.76 -1.43 3.02 -0.26 -5.10 115.26 106.69 3aap n ASN 289 Ca 0.05 -3.07 -0.41 0.00 -0.03 0.00 0.00 54.58 51.11 3aap n ASN 289 Cb 0.37 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3aap n ASN 289 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3aap n PRO 290 N 0.73 2.59 -3.62 3.52 -0.02 -1.08 -4.71 135.00 132.42 3aap n PRO 290 Ca 0.25 0.91 -0.36 0.00 -2.02 0.00 0.00 63.50 62.28 3aap n PRO 290 Cb 0.52 -2.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 3aap n PRO 290 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3aap s VAL 291 N -0.95 5.32 -0.02 -1.45 1.01 -1.26 -4.69 120.40 118.35 3aap s VAL 291 Ca 0.55 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.97 3aap s VAL 291 Cb -0.49 -3.58 -0.28 0.00 0.00 0.00 0.00 36.38 32.02 3aap s VAL 291 CO 0.61 0.46 0.78 0.78 0.00 0.00 0.00 175.10 177.74 3aap h ASN 292 N 6.12 0.44 -3.63 3.32 4.21 -1.09 -3.47 115.58 121.48 3aap h ASN 292 Ca -0.45 -0.64 -0.36 0.00 1.21 0.00 0.00 56.30 56.06 3aap h ASN 292 Cb 1.18 -0.14 -0.32 0.00 -1.12 0.00 0.00 38.32 37.92 3aap h ASN 292 CO 0.71 1.54 -0.76 -1.61 -1.29 0.00 0.00 177.43 176.01 3aap s GLU 293 N -2.60 0.57 -0.11 0.81 2.02 -0.93 -5.01 118.70 113.44 3aap s GLU 293 Ca -0.11 -0.09 -0.03 0.00 0.02 0.00 0.00 54.97 54.75 3aap s GLU 293 Cb 0.06 -0.60 -0.03 0.00 0.10 0.00 0.00 34.13 33.66 3aap s GLU 293 CO 0.85 -0.02 0.01 -1.58 0.02 0.00 0.00 175.26 174.54 3aap s TRP 294 N 0.56 3.17 -0.02 1.61 0.52 -1.26 -1.23 118.94 122.29 3aap s TRP 294 Ca -0.07 0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.22 3aap s TRP 294 Cb -0.10 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3aap s TRP 294 CO -0.00 0.35 -0.20 0.71 0.02 0.00 0.00 176.95 177.82 3aap s TYR 295 N -0.49 1.81 0.00 -1.98 2.02 -0.38 -1.31 117.35 117.03 3aap s TYR 295 Ca 0.09 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 3aap s TYR 295 Cb -0.12 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3aap s TYR 295 CO 0.02 -0.04 -0.25 0.45 -1.57 0.00 0.00 175.55 174.17 3aap s SER 296 N -0.45 2.93 0.38 2.29 0.15 0.13 -1.00 113.70 118.12 3aap s SER 296 Ca 0.07 -0.49 0.08 0.00 0.70 0.00 0.00 55.95 56.32 3aap s SER 296 Cb -0.08 -0.31 -0.07 0.00 -1.71 0.00 0.00 66.02 63.85 3aap s SER 296 CO -0.01 0.28 -0.04 0.27 1.20 0.00 0.00 173.24 174.95 3aap s ILE 297 N -0.65 2.09 0.00 6.45 -4.36 -0.21 -1.42 121.20 123.10 3aap s ILE 297 Ca 0.10 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 3aap s ILE 297 Cb -0.10 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.77 3aap s ILE 297 CO -0.00 -0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.70 3aap n GLY 298 N -0.89 0.91 0.18 6.27 0.00 -1.26 -1.13 105.19 109.26 3aap n GLY 298 Ca -0.05 -1.58 0.14 0.00 0.00 0.00 0.00 46.02 44.52 3aap n GLY 298 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3aap h GLY 299 N 0.00 0.00 0.69 -0.02 0.00 -1.54 -3.32 103.07 98.87 3aap h GLY 299 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3aap h GLY 299 CO 0.00 0.00 0.50 -2.22 0.00 0.00 0.00 176.54 174.82 3aap h ILE 300 N 0.00 1.01 -0.51 2.60 2.04 -1.84 -2.55 117.51 118.25 3aap h ILE 300 Ca 0.00 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3aap h ILE 300 Cb 0.60 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3aap h ILE 300 CO 0.00 0.16 0.29 -1.28 0.00 0.00 0.00 178.15 177.32 3aap h SER 301 N 0.89 0.62 -0.59 1.72 0.87 -1.86 0.27 113.55 115.48 3aap h SER 301 Ca 0.36 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 3aap h SER 301 Cb 0.20 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3aap h SER 301 CO -0.19 0.49 0.31 0.78 -0.53 0.00 0.00 176.83 177.69 3aap h ASN 302 N 0.71 0.75 0.07 6.23 -0.26 -1.70 -0.33 115.58 121.04 3aap h ASN 302 Ca 0.18 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 3aap h ASN 302 Cb 0.00 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 3aap h ASN 302 CO -0.03 0.64 -0.03 0.25 -1.06 0.00 0.00 177.43 177.20 3aap h LEU 303 N 0.79 -0.07 -2.90 1.61 6.46 -1.23 -3.13 115.31 116.85 3aap h LEU 303 Ca 0.20 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 3aap h LEU 303 Cb 0.07 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3aap h LEU 303 CO -0.03 0.36 0.00 0.00 -0.62 0.00 0.00 178.44 178.15 3aap h ALA 304 N 0.36 1.10 0.00 1.25 0.00 -0.35 -1.91 119.26 119.71 3aap h ALA 304 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3aap h ALA 304 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3aap h ALA 304 CO 0.01 -0.00 -0.26 0.43 0.00 0.00 0.00 179.25 179.43 3aap n SER 305 N -3.22 0.65 -4.67 0.00 7.64 -0.15 -4.56 113.62 109.31 3aap n SER 305 Ca -0.03 0.34 -0.38 0.00 1.01 0.00 0.00 58.87 59.81 3aap n SER 305 Cb 0.07 -0.34 0.06 0.00 -1.01 0.00 0.00 64.21 62.99 3aap n SER 305 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3aap n SER 306 N -2.05 1.48 0.17 6.43 2.88 -0.72 -4.89 113.62 116.92 3aap n SER 306 Ca 0.05 0.84 0.13 0.00 -1.33 0.00 0.00 58.87 58.56 3aap n SER 306 Cb 0.41 -1.47 0.57 0.00 -0.75 0.00 0.00 64.21 62.97 3aap n SER 306 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3aap h GLN 307 N 0.62 0.00 0.00 -1.46 1.08 -1.91 -2.65 115.11 110.79 3aap h GLN 307 Ca -0.50 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.67 3aap h GLN 307 Cb 1.35 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.77 3aap h GLN 307 CO 0.52 0.00 -0.30 -0.07 -0.95 0.00 0.00 178.83 178.03 3aap h LEU 308 N 0.00 0.00 -9.84 1.46 3.38 -1.93 -3.45 115.31 104.93 3aap h LEU 308 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3aap h LEU 308 Cb 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3aap h LEU 308 CO 0.00 0.14 -0.53 -0.36 0.09 0.00 0.00 178.44 177.78 3aap s PHE 309 N -3.16 3.34 -0.29 1.13 0.08 -1.00 -4.95 117.98 113.13 3aap s PHE 309 Ca 0.05 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.21 3aap s PHE 309 Cb 0.06 -1.64 0.09 0.00 -0.57 0.00 0.00 43.02 40.96 3aap s PHE 309 CO 0.71 0.54 0.05 -1.58 -0.10 0.00 0.00 175.22 174.84 3aap s HIS 310 N -1.60 2.28 0.03 0.36 5.65 -1.26 -4.78 115.29 115.96 3aap s HIS 310 Ca 0.32 -1.97 0.04 0.00 0.25 0.00 0.00 55.06 53.71 3aap s HIS 310 Cb -0.12 -1.92 -0.02 0.00 -1.18 0.00 0.00 32.58 29.35 3aap s HIS 310 CO 0.25 -0.85 -0.13 -0.06 -0.65 0.00 0.00 174.74 173.30 3aap s PHE 311 N 1.42 1.17 0.31 3.88 0.08 -1.26 -5.08 117.98 118.50 3aap s PHE 311 Ca 0.06 -0.32 0.10 0.00 0.12 0.00 0.00 56.93 56.89 3aap s PHE 311 Cb -0.18 -0.71 -0.06 0.00 -0.57 0.00 0.00 43.02 41.51 3aap s PHE 311 CO -0.16 0.02 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.64 3aap s GLU 312 N -0.95 1.72 -1.58 0.44 2.02 -1.26 -4.77 118.70 114.32 3aap s GLU 312 Ca 0.02 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.16 3aap s GLU 312 Cb -0.07 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.52 3aap s GLU 312 CO 0.01 0.20 0.00 0.09 0.02 0.00 0.00 175.26 175.57 3aap n ASN 313 N -0.69 -4.83 -3.96 -0.19 3.02 -1.26 -2.42 115.26 104.93 3aap n ASN 313 Ca -0.05 0.30 -0.29 0.00 -0.03 0.00 0.00 54.58 54.50 3aap n ASN 313 Cb 0.62 -3.75 0.01 0.00 -0.61 0.00 0.00 39.78 36.05 3aap n ASN 313 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3aap n SER 314 N -0.61 -3.01 -3.99 6.41 2.88 -1.26 -4.92 113.62 109.12 3aap n SER 314 Ca -0.16 -0.88 -0.10 0.00 -1.33 0.00 0.00 58.87 56.40 3aap n SER 314 Cb 0.54 -3.51 -0.06 0.00 -0.75 0.00 0.00 64.21 60.43 3aap n SER 314 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3aap s GLU 315 N -6.57 1.41 0.24 -1.46 -1.05 -1.02 -0.92 118.70 109.33 3aap s GLU 315 Ca 0.45 -1.25 -0.12 0.00 -0.15 0.00 0.00 54.97 53.90 3aap s GLU 315 Cb -0.23 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 3aap s GLU 315 CO 0.86 -0.56 0.45 -0.48 0.95 0.00 0.00 175.26 176.48 3aap s LEU 316 N -3.01 0.39 0.18 1.83 0.05 -0.28 -4.09 118.68 113.75 3aap s LEU 316 Ca 0.22 -0.97 0.10 0.00 0.05 0.00 0.00 54.13 53.53 3aap s LEU 316 Cb 0.01 1.65 -0.04 0.00 -2.05 0.00 0.00 46.19 45.76 3aap s LEU 316 CO 0.06 -1.11 -0.16 0.42 -0.55 0.00 0.00 176.35 175.01 3aap s THR 317 N -4.03 2.83 0.29 5.48 -4.23 -1.26 0.02 115.64 114.73 3aap s THR 317 Ca 0.24 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3aap s THR 317 Cb -0.00 -2.37 0.13 0.00 1.34 0.00 0.00 72.50 71.60 3aap s THR 317 CO 0.09 -0.08 1.80 0.78 -0.54 0.00 0.00 174.62 176.67 3aap h ASN 318 N 3.14 0.65 -0.43 3.99 4.21 -1.68 -0.95 115.58 124.51 3aap h ASN 318 Ca -0.47 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 56.90 3aap h ASN 318 Cb 1.20 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.21 3aap h ASN 318 CO 0.51 0.73 0.28 -0.61 -1.29 0.00 0.00 177.43 177.04 3aap h GLN 319 N 0.65 0.58 -0.61 0.81 4.15 -1.33 -1.27 115.11 118.08 3aap h GLN 319 Ca 0.13 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 3aap h GLN 319 Cb 0.41 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3aap h GLN 319 CO 0.02 0.40 0.02 1.03 -1.93 0.00 0.00 178.83 178.36 3aap h SER 320 N 0.58 1.03 -0.08 -0.69 0.87 -1.75 -1.99 113.55 111.52 3aap h SER 320 Ca 0.16 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3aap h SER 320 Cb -0.04 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 3aap h SER 320 CO -0.03 1.07 0.04 0.25 -0.53 0.00 0.00 176.83 177.63 3aap h LEU 321 N 0.97 0.05 -0.58 2.23 5.85 -0.86 -0.38 115.31 122.60 3aap h LEU 321 Ca 0.18 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3aap h LEU 321 Cb 0.53 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3aap h LEU 321 CO 0.03 0.04 0.09 0.25 -0.34 0.00 0.00 178.44 178.51 3aap h LEU 322 N 0.08 0.93 -0.29 2.25 5.85 -1.16 -0.99 115.31 121.98 3aap h LEU 322 Ca 0.03 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3aap h LEU 322 Cb 0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3aap h LEU 322 CO -0.03 0.96 0.11 -0.61 -0.34 0.00 0.00 178.44 178.53 3aap h GLN 323 N 0.86 0.44 -0.65 1.25 4.15 -1.23 -0.30 115.11 119.63 3aap h GLN 323 Ca 0.18 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 3aap h GLN 323 Cb 0.43 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3aap h GLN 323 CO 0.01 0.47 0.17 1.96 -1.93 0.00 0.00 178.83 179.51 3aap h GLN 324 N 0.31 1.03 -0.53 1.69 4.20 -0.99 -0.73 115.11 120.09 3aap h GLN 324 Ca 0.09 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 3aap h GLN 324 Cb 0.20 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3aap h GLN 324 CO -0.01 0.92 0.18 0.78 -0.67 0.00 0.00 178.83 180.04 3aap h GLY 325 N 0.96 0.87 0.96 3.46 0.00 -1.02 0.32 103.07 108.61 3aap h GLY 325 Ca 0.21 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3aap h GLY 325 CO -0.00 0.47 0.18 -1.80 0.00 0.00 0.00 176.54 175.39 3aap h ASP 326 N 0.72 0.40 0.09 0.19 3.58 -0.78 -0.39 116.42 120.23 3aap h ASP 326 Ca 0.17 -0.08 -0.21 0.00 0.42 0.00 0.00 57.03 57.33 3aap h ASP 326 Cb 0.25 -0.10 0.02 0.00 1.72 0.00 0.00 39.33 41.22 3aap h ASP 326 CO -0.01 0.36 -0.90 0.78 -2.88 0.00 0.00 179.24 176.60 3aap h ASN 327 N 0.40 0.63 1.00 2.28 2.35 -0.99 -1.69 115.58 119.56 3aap h ASN 327 Ca 0.11 -0.85 -0.12 0.00 -0.55 0.00 0.00 56.30 54.89 3aap h ASN 327 Cb 0.05 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3aap h ASN 327 CO -0.02 1.42 -1.06 1.56 -1.65 0.00 0.00 177.43 177.68 3aap h GLN 328 N -0.08 0.00 0.00 0.81 1.08 -0.96 -3.39 115.11 112.57 3aap h GLN 328 Ca -0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3aap h GLN 328 Cb 1.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.07 3aap h GLN 328 CO 0.17 0.30 -0.43 -0.89 -0.95 0.00 0.00 178.83 177.03 3aap n ILE 329 N -2.96 0.55 -0.12 2.54 -0.00 -0.47 -4.59 119.36 114.31 3aap n ILE 329 Ca -0.05 0.18 -0.08 0.00 -0.00 0.00 0.00 62.75 62.80 3aap n ILE 329 Cb 0.76 -1.41 -0.00 0.00 -0.00 0.00 0.00 39.64 38.98 3aap n ILE 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3aap n HIS 331 N -4.80 0.98 -3.55 0.00 8.25 -0.64 -2.48 115.22 112.99 3aap n HIS 331 Ca -0.00 -0.43 -0.36 0.00 -0.26 0.00 0.00 57.72 56.67 3aap n HIS 331 Cb 0.04 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 30.99 3aap n HIS 331 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3aap s GLN 332 N -1.53 3.82 -0.04 -0.41 2.00 -0.79 -4.84 119.66 117.87 3aap s GLN 332 Ca 0.39 0.28 -0.30 0.00 -2.00 0.00 0.00 55.36 53.74 3aap s GLN 332 Cb 0.23 -3.12 -0.05 0.00 0.80 0.00 0.00 33.01 30.88 3aap s GLN 332 CO 0.22 0.64 1.48 -1.14 -0.50 0.00 0.00 175.29 175.99 3aap s GLN 333 N -1.46 4.23 0.14 1.67 -0.44 -1.26 -1.60 119.66 120.94 3aap s GLN 333 Ca 0.28 2.01 -0.16 0.00 -2.50 0.00 0.00 55.36 54.98 3aap s GLN 333 Cb -0.15 -3.75 -0.00 0.00 -1.64 0.00 0.00 33.01 27.47 3aap s GLN 333 CO 0.15 -0.70 1.71 2.35 0.50 0.00 0.00 175.29 179.30 3aap h TRP 334 N 8.50 0.59 -0.76 1.67 2.91 -0.91 -1.97 115.95 125.99 3aap h TRP 334 Ca -0.36 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.60 3aap h TRP 334 Cb 1.17 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.60 3aap h TRP 334 CO 0.81 0.49 0.39 -0.44 -1.03 0.00 0.00 178.44 178.66 3aap h ASP 335 N 0.51 0.96 -0.30 2.65 3.32 -1.90 0.15 116.42 121.82 3aap h ASP 335 Ca 0.14 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3aap h ASP 335 Cb 0.13 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3aap h ASP 335 CO -0.02 0.79 -0.07 0.40 -1.72 0.00 0.00 179.24 178.62 3aap h ILE 336 N 1.07 1.28 -0.01 0.35 2.04 -1.93 -1.36 117.51 118.95 3aap h ILE 336 Ca 0.27 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 3aap h ILE 336 Cb 0.07 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3aap h ILE 336 CO -0.04 0.35 0.01 0.25 0.00 0.00 0.00 178.15 178.72 3aap h LEU 337 N 0.34 0.02 -1.07 1.44 5.85 -0.79 -2.38 115.31 118.73 3aap h LEU 337 Ca 0.08 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3aap h LEU 337 Cb 0.56 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3aap h LEU 337 CO 0.03 0.18 0.63 -1.13 -0.34 0.00 0.00 178.44 177.81 3aap h ASN 338 N -0.14 1.05 -0.03 1.25 -1.24 -0.71 -1.81 115.58 113.94 3aap h ASN 338 Ca 0.00 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 3aap h ASN 338 Cb 0.17 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 3aap h ASN 338 CO -0.00 0.73 -0.05 1.23 -1.29 0.00 0.00 177.43 178.05 3aap h GLY 339 N 1.22 0.23 1.69 1.57 0.00 -0.97 -1.86 103.07 104.96 3aap h GLY 339 Ca 0.37 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 3aap h GLY 339 CO -0.11 0.11 -0.71 1.46 0.00 0.00 0.00 176.54 177.30 3aap h GLN 340 N 0.21 0.00 -2.06 4.80 4.20 -0.84 -3.39 115.11 118.03 3aap h GLN 340 Ca 0.05 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.25 3aap h GLN 340 Cb 0.23 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.60 3aap h GLN 340 CO 0.01 0.37 -1.06 0.66 -0.67 0.00 0.00 178.83 178.14 3aap n TYR 341 N -3.10 1.15 0.39 2.96 4.01 -0.80 -4.96 117.16 116.82 3aap n TYR 341 Ca -0.01 -3.85 0.13 0.00 -0.16 0.00 0.00 57.90 54.02 3aap n TYR 341 Cb 0.73 -0.44 0.51 0.00 -0.31 0.00 0.00 39.34 39.83 3aap n TYR 341 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3aap h PRO 342 N 2.99 0.00 0.00 -0.72 0.13 -1.55 -2.98 132.00 129.87 3aap h PRO 342 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3aap h PRO 342 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3aap h PRO 342 CO 0.58 0.00 -0.92 -0.25 -0.23 0.00 0.00 178.00 177.18 3aap n ASP 343 N -2.48 0.75 -4.51 1.44 8.00 -1.26 -4.79 116.55 113.71 3aap n ASP 343 Ca 0.02 0.18 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 3aap n ASP 343 Cb 0.29 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 3aap n ASP 343 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3aap s ASP 344 N -4.80 6.24 0.06 -2.24 -1.08 -1.13 -4.86 116.67 108.86 3aap s ASP 344 Ca 0.02 -0.90 0.21 0.00 -0.52 0.00 0.00 52.55 51.36 3aap s ASP 344 Cb 0.11 -2.49 0.85 0.00 -1.46 0.00 0.00 42.92 39.93 3aap s ASP 344 CO 0.77 -1.59 1.65 -1.84 0.52 0.00 0.00 175.17 174.68 3aap n GLU 345 N 8.46 0.05 -0.00 4.34 0.28 -1.26 -2.94 120.64 129.57 3aap n GLU 345 Ca 0.05 0.21 0.09 0.00 -0.16 0.00 0.00 57.16 57.36 3aap n GLU 345 Cb 0.48 -1.59 -0.11 0.00 1.43 0.00 0.00 31.44 31.65 3aap n GLU 345 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3aap n TYR 346 N -1.68 0.00 -0.26 -1.84 4.01 -1.26 -4.59 117.16 111.54 3aap n TYR 346 Ca 0.04 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.94 3aap n TYR 346 Cb 0.24 -0.09 0.44 0.00 -0.31 0.00 0.00 39.34 39.62 3aap n TYR 346 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3aap h LEU 347 N 0.00 0.54 -2.75 7.72 5.85 -1.93 -1.43 115.31 123.31 3aap h LEU 347 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3aap h LEU 347 Cb 0.53 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3aap h LEU 347 CO 0.00 0.24 0.02 0.10 -0.34 0.00 0.00 178.44 178.45 3aap h TYR 348 N 0.55 0.00 -0.07 1.25 -0.00 -1.81 -1.37 116.97 115.53 3aap h TYR 348 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.20 3aap h TYR 348 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.70 3aap h TYR 348 CO -0.00 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.20 3aap n GLN 349 N -3.39 1.96 0.23 0.10 6.02 -0.54 -4.50 117.38 117.26 3aap n GLN 349 Ca -0.03 -1.40 0.14 0.00 -0.01 0.00 0.00 57.00 55.71 3aap n GLN 349 Cb 0.09 -1.47 0.44 0.00 1.02 0.00 0.00 30.24 30.32 3aap n GLN 349 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3aap h TYR 350 N 3.28 0.00 -0.00 1.08 0.05 -1.37 0.37 116.97 120.38 3aap h TYR 350 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3aap h TYR 350 Cb 0.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.44 3aap h TYR 350 CO 0.03 0.00 -0.00 0.00 -1.05 0.00 0.00 178.16 177.14 3aap h LEU 352 N -0.32 0.50 -0.25 0.00 5.85 -1.03 -2.23 115.31 117.84 3aap h LEU 352 Ca 0.00 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 3aap h LEU 352 Cb 0.32 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3aap h LEU 352 CO 0.00 0.38 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.00 3aap h LEU 353 N 0.57 0.79 -0.73 2.25 3.38 -0.98 0.16 115.31 120.75 3aap h LEU 353 Ca 0.15 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3aap h LEU 353 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3aap h LEU 353 CO -0.03 1.16 0.35 0.77 0.09 0.00 0.00 178.44 180.78 3aap h SER 354 N 0.45 0.97 -0.69 -0.43 4.64 -1.30 0.74 113.55 117.92 3aap h SER 354 Ca 0.02 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3aap h SER 354 Cb 1.01 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 3aap h SER 354 CO 0.09 0.83 0.42 0.28 -0.87 0.00 0.00 176.83 177.58 3aap h SER 355 N 1.03 0.83 -0.23 4.97 0.02 -1.19 -2.39 113.55 116.58 3aap h SER 355 Ca 0.25 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3aap h SER 355 Cb 0.12 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3aap h SER 355 CO -0.03 0.64 -0.12 0.22 -1.14 0.00 0.00 176.83 176.40 3aap h TYR 356 N 0.94 0.57 -0.74 3.45 3.20 -0.24 0.46 116.97 124.61 3aap h TYR 356 Ca 0.25 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3aap h TYR 356 Cb -0.03 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 3aap h TYR 356 CO -0.01 0.77 0.48 1.88 -1.64 0.00 0.00 178.16 179.63 3aap h TYR 357 N 0.20 0.94 -0.38 -3.82 0.05 -0.81 0.24 116.97 113.40 3aap h TYR 357 Ca 0.05 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3aap h TYR 357 Cb 0.63 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 3aap h TYR 357 CO 0.06 0.61 0.15 -0.92 -1.05 0.00 0.00 178.16 177.01 3aap h TYR 358 N 1.00 0.57 -0.55 4.88 3.20 -1.32 -1.02 116.97 123.74 3aap h TYR 358 Ca 0.27 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.16 3aap h TYR 358 Cb -0.09 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 37.95 3aap h TYR 358 CO -0.02 0.52 0.25 0.00 -1.64 0.00 0.00 178.16 177.27 3aap h ALA 359 N 0.99 0.71 0.06 1.82 0.00 -0.53 0.18 119.26 122.50 3aap h ALA 359 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3aap h ALA 359 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3aap h ALA 359 CO -0.01 -0.13 -0.03 1.25 0.00 0.00 0.00 179.25 180.33 3aap h LEU 360 N 0.46 -0.07 0.01 0.00 5.85 -0.66 0.76 115.31 121.66 3aap h LEU 360 Ca 0.26 -0.33 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 3aap h LEU 360 Cb 0.24 0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.30 3aap h LEU 360 CO -0.22 0.30 -0.76 0.24 -0.34 0.00 0.00 178.44 177.66 3aap h MET 361 N -0.45 0.50 0.00 1.25 2.86 -1.03 0.15 114.93 118.21 3aap h MET 361 Ca -0.01 -0.55 -0.07 0.00 -2.06 0.00 0.00 59.70 57.01 3aap h MET 361 Cb 0.40 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3aap h MET 361 CO 0.01 1.18 -0.64 0.28 1.06 0.00 0.00 176.91 178.81 3aap h VAL 362 N 0.04 0.42 0.00 -2.22 2.07 -0.74 -0.77 116.25 115.05 3aap h VAL 362 Ca -0.10 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 65.82 3aap h VAL 362 Cb 1.45 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3aap h VAL 362 CO 0.15 0.14 -0.64 0.44 0.02 0.00 0.00 177.57 177.68 3aap h ASP 363 N -1.00 0.00 0.00 0.57 3.32 -1.24 -2.47 116.42 115.60 3aap h ASP 363 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3aap h ASP 363 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3aap h ASP 363 CO -0.07 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 3aap n GLY 364 N 1.00 -0.34 0.23 2.75 0.00 0.17 -4.60 105.19 104.39 3aap n GLY 364 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3aap n GLY 364 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3aap h TYR 365 N 0.00 0.00 0.00 1.61 0.05 -0.60 -3.22 116.97 114.80 3aap h TYR 365 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3aap h TYR 365 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3aap h TYR 365 CO 0.00 0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.73 3aap n GLY 366 N 0.12 0.72 3.76 3.88 0.00 -0.70 -4.19 105.19 108.77 3aap n GLY 366 Ca 0.00 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3aap n GLY 366 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aap s ILE 367 N -2.00 2.97 0.28 -0.61 1.01 -0.38 -4.96 121.20 117.52 3aap s ILE 367 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 3aap s ILE 367 Cb 0.00 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.77 3aap s ILE 367 CO 0.00 0.21 1.40 0.21 0.00 0.00 0.00 174.94 176.77 3aap s ASN 368 N -0.45 6.66 0.66 3.58 3.84 -1.26 -4.35 114.94 123.62 3aap s ASN 368 Ca 0.49 2.71 0.35 0.00 0.21 0.00 0.00 52.86 56.62 3aap s ASN 368 Cb -0.37 -2.63 1.93 0.00 -0.55 0.00 0.00 41.25 39.62 3aap s ASN 368 CO 0.48 -0.67 2.11 -0.65 -2.79 0.00 0.00 177.10 175.58 3aap h PRO 369 N 4.37 0.00 -0.13 0.43 0.11 -1.96 -1.23 132.00 133.59 3aap h PRO 369 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3aap h PRO 369 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3aap h PRO 369 CO 0.73 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.61 3aap n ASN 370 N -3.09 2.73 -4.72 -2.05 4.13 -1.26 -0.83 115.26 110.17 3aap n ASN 370 Ca -0.02 -1.89 -0.42 0.00 1.68 0.00 0.00 54.58 53.94 3aap n ASN 370 Cb 0.27 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 3aap n ASN 370 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3aap s GLN 371 N -1.86 4.40 0.22 3.52 2.00 -0.47 -4.94 119.66 122.54 3aap s GLN 371 Ca 0.33 1.90 -0.30 0.00 -2.00 0.00 0.00 55.36 55.28 3aap s GLN 371 Cb 0.21 -3.29 -0.09 0.00 0.80 0.00 0.00 33.01 30.63 3aap s GLN 371 CO 0.31 -0.28 1.39 0.99 -0.50 0.00 0.00 175.29 177.19 3aap s THR 372 N 0.84 2.93 -0.22 -0.34 2.01 -1.26 -4.28 115.64 115.31 3aap s THR 372 Ca 0.59 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 3aap s THR 372 Cb -0.33 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.72 3aap s THR 372 CO 0.31 0.11 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 3aap s ILE 373 N 0.15 2.64 0.24 1.82 -1.09 0.10 -4.41 121.20 120.65 3aap s ILE 373 Ca 0.59 -0.93 -0.28 0.00 -2.23 0.00 0.00 60.65 57.79 3aap s ILE 373 Cb -0.39 -2.25 -0.09 0.00 -1.58 0.00 0.00 42.46 38.14 3aap s ILE 373 CO 0.40 0.34 0.91 -1.00 -1.23 0.00 0.00 174.94 174.36 3aap s HIS 374 N 1.33 3.91 0.05 3.97 3.76 -0.42 -1.12 115.29 126.76 3aap s HIS 374 Ca 0.02 1.83 0.09 0.00 -0.15 0.00 0.00 55.06 56.86 3aap s HIS 374 Cb -0.15 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.59 3aap s HIS 374 CO -0.07 0.42 -0.25 1.52 -0.85 0.00 0.00 174.74 175.51 3aap s TYR 375 N -1.27 2.19 -0.23 1.40 -0.85 -0.10 0.21 117.35 118.70 3aap s TYR 375 Ca 0.42 -0.40 -0.28 0.00 -0.52 0.00 0.00 57.07 56.29 3aap s TYR 375 Cb -0.24 -1.30 0.01 0.00 0.38 0.00 0.00 41.96 40.80 3aap s TYR 375 CO 0.29 0.13 0.97 0.42 -1.52 0.00 0.00 175.55 175.84 3aap s ILE 376 N -0.82 4.73 0.38 -3.49 -1.09 -0.51 -4.74 121.20 115.66 3aap s ILE 376 Ca 0.11 1.88 -0.27 0.00 -2.23 0.00 0.00 60.65 60.14 3aap s ILE 376 Cb -0.10 -4.25 -0.11 0.00 -1.58 0.00 0.00 42.46 36.42 3aap s ILE 376 CO 0.02 -0.14 1.28 -2.65 -1.23 0.00 0.00 174.94 172.22 3aap n PRO 377 N 6.21 2.05 0.23 2.79 -0.02 -1.26 -4.75 135.00 140.25 3aap n PRO 377 Ca 0.10 0.72 0.07 0.00 -2.02 0.00 0.00 63.50 62.37 3aap n PRO 377 Cb 0.46 -2.35 0.54 0.00 -0.02 0.00 0.00 33.50 32.13 3aap n PRO 377 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3aap h PRO 378 N 2.35 0.00 0.00 0.52 0.11 -1.93 -1.36 132.00 131.69 3aap h PRO 378 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3aap h PRO 378 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3aap h PRO 378 CO 0.61 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 3aap n GLU 379 N -3.97 0.09 0.14 1.05 0.00 -1.26 -2.95 120.64 113.73 3aap n GLU 379 Ca -0.02 0.43 0.13 0.00 0.00 0.00 0.00 57.16 57.70 3aap n GLU 379 Cb 0.30 -1.70 0.35 0.00 0.00 0.00 0.00 31.44 30.38 3aap n GLU 379 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3aap h GLN 380 N 0.00 0.00 -6.18 3.44 4.20 -1.60 -3.47 115.11 111.50 3aap h GLN 380 Ca 0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 3aap h GLN 380 Cb 0.18 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 3aap h GLN 380 CO 0.00 0.00 -0.76 0.09 -0.67 0.00 0.00 178.83 177.49 3aap n ASN 381 N -2.49 -4.34 -4.68 1.46 5.03 -1.15 -4.92 115.26 104.16 3aap n ASN 381 Ca 0.05 -0.75 -0.42 0.00 0.87 0.00 0.00 54.58 54.34 3aap n ASN 381 Cb 0.45 -4.12 -0.03 0.00 -1.02 0.00 0.00 39.78 35.06 3aap n ASN 381 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3aap s LEU 382 N -7.16 4.22 -0.00 3.41 0.20 -1.26 -5.03 118.68 113.05 3aap s LEU 382 Ca 0.52 1.33 0.05 0.00 0.69 0.00 0.00 54.13 56.72 3aap s LEU 382 Cb -0.26 -3.35 -0.01 0.00 -0.43 0.00 0.00 46.19 42.14 3aap s LEU 382 CO 0.81 -0.39 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.70 3aap s ASP 383 N 1.10 1.85 0.64 3.68 2.15 -1.26 -5.02 116.67 119.80 3aap s ASP 383 Ca 0.42 -0.31 0.40 0.00 0.43 0.00 0.00 52.55 53.49 3aap s ASP 383 Cb -0.17 -0.20 2.18 0.00 -0.30 0.00 0.00 42.92 44.43 3aap s ASP 383 CO 0.15 0.18 2.31 4.11 -0.17 0.00 0.00 175.17 181.75 3aap h TRP 384 N 5.63 0.00 0.00 -5.34 5.08 -1.94 -2.37 115.95 117.02 3aap h TRP 384 Ca -0.36 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.61 3aap h TRP 384 Cb 1.16 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.32 3aap h TRP 384 CO 0.42 0.01 -0.02 1.79 -1.28 0.00 0.00 178.44 179.36 3aap h THR 385 N 0.00 0.08 -0.73 0.12 1.35 -1.95 -0.09 112.91 111.69 3aap h THR 385 Ca -0.00 -0.29 0.12 0.00 -0.55 0.00 0.00 66.41 65.69 3aap h THR 385 Cb 0.05 1.26 -0.05 0.00 -1.73 0.00 0.00 68.15 67.68 3aap h THR 385 CO 0.00 0.02 0.49 0.40 -0.25 0.00 0.00 175.52 176.17 3aap h ILE 386 N 0.00 0.86 0.00 6.82 2.04 -1.77 -1.17 117.51 124.30 3aap h ILE 386 Ca -0.00 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3aap h ILE 386 Cb 0.26 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3aap h ILE 386 CO 0.00 0.09 -0.44 1.23 0.00 0.00 0.00 178.15 179.04 3aap h GLY 387 N 0.51 0.00 1.04 5.37 0.00 -1.16 -1.68 103.07 107.15 3aap h GLY 387 Ca 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 3aap h GLY 387 CO -0.12 0.00 0.23 -2.08 0.00 0.00 0.00 176.54 174.57 3aap h VAL 388 N 0.00 1.26 -0.26 4.60 2.07 -1.29 -1.30 116.25 121.33 3aap h VAL 388 Ca -0.00 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3aap h VAL 388 Cb 0.82 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3aap h VAL 388 CO 0.06 0.34 0.14 0.58 0.02 0.00 0.00 177.57 178.71 3aap h VAL 389 N 1.04 1.12 -0.78 2.57 2.07 -1.19 0.59 116.25 121.67 3aap h VAL 389 Ca 0.23 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3aap h VAL 389 Cb 0.29 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3aap h VAL 389 CO -0.01 0.12 0.32 -0.07 0.02 0.00 0.00 177.57 177.95 3aap h LEU 390 N 0.30 1.06 0.07 2.57 3.38 -1.10 -1.59 115.31 119.99 3aap h LEU 390 Ca 0.09 -0.16 -0.29 0.00 0.09 0.00 0.00 57.88 57.62 3aap h LEU 390 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3aap h LEU 390 CO -0.01 0.93 -1.48 -0.74 0.09 0.00 0.00 178.44 177.23 3aap h HIS 391 N 1.12 0.28 0.00 1.13 2.76 -1.06 -3.42 115.15 115.97 3aap h HIS 391 Ca 0.26 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3aap h HIS 391 Cb 0.20 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.15 3aap h HIS 391 CO 0.02 1.25 0.00 0.54 -1.30 0.00 0.00 177.93 178.44 3aap n ARG 392 N -3.36 6.02 0.00 5.26 5.12 0.18 -5.09 116.66 124.80 3aap n ARG 392 Ca -0.14 -0.02 0.15 0.00 -1.93 0.00 0.00 57.85 55.92 3aap n ARG 392 Cb 1.03 -0.47 0.89 0.00 -1.16 0.00 0.00 32.46 32.75 3aap n ARG 392 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70