#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tui n PRO 10 N 0.00 0.44 -3.99 1.64 -0.05 -1.26 -4.28 135.00 127.49 1tui n PRO 10 Ca 0.00 0.16 -0.35 0.00 -0.05 0.00 0.00 63.50 63.26 1tui n PRO 10 Cb 0.00 -1.40 -0.11 0.00 -0.05 0.00 0.00 33.50 31.95 1tui n PRO 10 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1tui s HIS 11 N -1.51 3.18 0.03 0.54 2.46 -1.26 -1.65 115.29 117.07 1tui s HIS 11 Ca 0.63 -0.09 0.06 0.00 0.47 0.00 0.00 55.06 56.13 1tui s HIS 11 Cb -0.61 -2.11 -0.02 0.00 -0.13 0.00 0.00 32.58 29.71 1tui s HIS 11 CO 0.59 -0.01 -0.19 0.08 -2.47 0.00 0.00 174.74 172.74 1tui s VAL 12 N 0.71 1.52 -0.28 0.89 1.01 1.00 -4.90 120.40 120.35 1tui s VAL 12 Ca 0.03 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 1tui s VAL 12 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1tui s VAL 12 CO 0.02 0.23 0.15 0.20 0.00 0.00 0.00 175.10 175.70 1tui s ASN 13 N -0.97 5.69 0.35 3.32 0.01 -1.26 -1.02 114.94 121.07 1tui s ASN 13 Ca 0.06 -0.17 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 1tui s ASN 13 Cb -0.08 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.51 1tui s ASN 13 CO 0.01 -0.08 0.18 1.33 -1.51 0.00 0.00 177.10 177.03 1tui n VAL 14 N 5.01 0.00 0.00 1.60 0.24 0.14 0.12 118.33 125.45 1tui n VAL 14 Ca -0.15 -2.21 0.00 0.00 -2.04 0.00 0.00 64.34 59.95 1tui n VAL 14 Cb 0.51 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1tui n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tui n GLY 15 N -0.58 0.46 3.85 7.63 0.00 -1.25 0.09 105.19 115.40 1tui n GLY 15 Ca -0.01 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 1tui n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tui s THR 16 N -2.00 5.10 0.35 2.61 -4.23 -0.81 -0.21 115.64 116.45 1tui s THR 16 Ca 0.00 0.64 0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1tui s THR 16 Cb 0.00 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1tui s THR 16 CO 0.00 0.49 0.13 0.27 -0.54 0.00 0.00 174.62 174.97 1tui s ILE 17 N -1.18 0.57 0.00 2.99 -4.36 -0.66 -4.73 121.20 113.83 1tui s ILE 17 Ca 0.26 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 1tui s ILE 17 Cb -0.15 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.06 1tui s ILE 17 CO 0.14 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.93 1tui n GLY 18 N -0.72 1.97 3.67 6.27 0.00 -1.26 -1.45 105.19 113.67 1tui n GLY 18 Ca -0.02 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1tui n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1tui s HIS 19 N -1.52 2.00 0.31 1.61 2.46 -1.26 -4.69 115.29 114.20 1tui s HIS 19 Ca 0.00 1.38 -0.29 0.00 0.47 0.00 0.00 55.06 56.62 1tui s HIS 19 Cb 0.00 -3.18 -0.10 0.00 -0.13 0.00 0.00 32.58 29.17 1tui s HIS 19 CO 0.00 -2.73 1.27 0.08 -2.47 0.00 0.00 174.74 170.89 1tui s VAL 20 N -2.78 2.90 0.00 0.89 1.01 -1.26 -2.72 120.40 118.44 1tui s VAL 20 Ca 0.65 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1tui s VAL 20 Cb -0.20 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1tui s VAL 20 CO 0.59 0.20 0.00 -0.67 0.00 0.00 0.00 175.10 175.22 1tui n ASP 21 N 1.12 0.00 0.31 3.32 2.03 -1.26 -4.88 116.55 117.19 1tui n ASP 21 Ca 0.01 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.51 1tui n ASP 21 Cb 0.42 0.00 1.02 0.00 -0.72 0.00 0.00 41.12 41.84 1tui n ASP 21 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1tui h HIS 22 N 0.00 0.00 0.00 -0.67 3.86 -1.85 -3.46 115.15 113.03 1tui h HIS 22 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1tui h HIS 22 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1tui h HIS 22 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1tui n GLY 23 N -1.19 1.95 0.26 2.45 0.00 -1.26 -4.59 105.19 102.80 1tui n GLY 23 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1tui n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tui h LYS 24 N 0.00 0.00 0.05 1.61 1.57 -1.89 0.06 116.57 117.97 1tui h LYS 24 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1tui h LYS 24 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1tui h LYS 24 CO 0.00 0.11 -0.74 1.15 -0.57 0.00 0.00 179.45 179.40 1tui h THR 25 N 0.00 1.38 -0.79 -0.16 2.02 -1.94 -1.36 112.91 112.06 1tui h THR 25 Ca -0.00 -2.35 0.07 0.00 0.77 0.00 0.00 66.41 64.90 1tui h THR 25 Cb 0.26 2.94 -0.06 0.00 -1.74 0.00 0.00 68.15 69.55 1tui h THR 25 CO 0.01 0.58 0.46 0.74 0.37 0.00 0.00 175.52 177.69 1tui h THR 26 N -0.74 0.97 0.00 3.16 2.02 -1.92 0.24 112.91 116.64 1tui h THR 26 Ca -0.17 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1tui h THR 26 Cb 1.34 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1tui h THR 26 CO -0.01 0.15 -0.10 0.25 0.37 0.00 0.00 175.52 176.18 1tui h LEU 27 N 0.82 0.00 -0.40 2.58 5.85 -0.99 -1.75 115.31 121.42 1tui h LEU 27 Ca 0.36 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.95 1tui h LEU 27 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1tui h LEU 27 CO -0.20 0.10 -0.26 0.74 -0.34 0.00 0.00 178.44 178.48 1tui h THR 28 N 0.00 1.28 0.00 1.05 2.02 0.61 -2.87 112.91 115.00 1tui h THR 28 Ca -0.00 -1.41 -0.04 0.00 0.77 0.00 0.00 66.41 65.73 1tui h THR 28 Cb 0.19 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1tui h THR 28 CO 0.01 0.47 -0.19 0.00 0.37 0.00 0.00 175.52 176.19 1tui h ALA 29 N 0.80 1.05 0.01 6.16 0.00 -0.38 -3.20 119.26 123.70 1tui h ALA 29 Ca 0.08 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1tui h ALA 29 Cb 0.83 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1tui h ALA 29 CO 0.07 0.23 -0.53 0.00 0.00 0.00 0.00 179.25 179.02 1tui h ALA 30 N 1.81 0.04 -0.89 0.00 0.00 -1.36 -2.87 119.26 116.01 1tui h ALA 30 Ca -0.00 -0.56 0.19 0.00 0.00 0.00 0.00 54.91 54.54 1tui h ALA 30 Cb 0.67 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 1tui h ALA 30 CO 0.02 0.29 0.43 -0.07 0.00 0.00 0.00 179.25 179.92 1tui h LEU 31 N -0.24 0.44 0.70 0.00 3.38 -1.50 0.71 115.31 118.80 1tui h LEU 31 Ca -0.07 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1tui h LEU 31 Cb 1.27 0.08 0.01 0.00 0.09 0.00 0.00 40.66 42.11 1tui h LEU 31 CO 0.10 0.09 -0.34 0.71 0.09 0.00 0.00 178.44 179.10 1tui h THR 32 N 0.50 0.00 -0.64 0.22 1.35 -1.58 -1.58 112.91 111.19 1tui h THR 32 Ca 0.53 -0.29 0.11 0.00 -0.55 0.00 0.00 66.41 66.21 1tui h THR 32 Cb 0.92 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.26 1tui h THR 32 CO -0.46 0.00 0.20 1.88 -0.25 0.00 0.00 175.52 176.89 1tui h TYR 33 N -1.23 0.33 0.33 4.73 -1.99 -1.23 -0.73 116.97 117.18 1tui h TYR 33 Ca -0.10 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1tui h TYR 33 Cb 0.72 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.40 1tui h TYR 33 CO 0.00 0.03 -0.16 0.28 -0.00 0.00 0.00 178.16 178.31 1tui h VAL 34 N 0.35 0.67 0.00 -2.88 2.07 0.46 -2.96 116.25 113.96 1tui h VAL 34 Ca 0.34 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1tui h VAL 34 Cb 0.48 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1tui h VAL 34 CO -0.37 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.31 1tui n ALA 35 N -2.46 1.58 -0.08 1.67 0.00 -0.60 -2.81 120.51 117.82 1tui n ALA 35 Ca -0.10 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1tui n ALA 35 Cb 0.26 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1tui n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tui h ALA 36 N 2.36 0.34 -0.95 0.00 0.00 -0.95 -2.08 119.26 117.98 1tui h ALA 36 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1tui h ALA 36 Cb 0.26 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 1tui h ALA 36 CO 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 179.25 178.76 1tui h ALA 37 N 0.93 -0.02 -0.03 0.00 0.00 -1.57 1.33 119.26 119.91 1tui h ALA 37 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1tui h ALA 37 Cb 0.20 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1tui h ALA 37 CO -0.01 -0.71 0.00 0.39 0.00 0.00 0.00 179.25 178.93 1tui n GLU 38 N -5.42 1.39 -2.79 0.00 1.02 -1.20 -4.21 120.64 109.43 1tui n GLU 38 Ca 0.08 -0.57 -0.02 0.00 -0.02 0.00 0.00 57.16 56.62 1tui n GLU 38 Cb 0.37 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1tui n GLU 38 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1tui n ASN 39 N -0.28 1.67 0.00 1.62 3.02 0.40 -5.00 115.26 116.68 1tui n ASN 39 Ca 0.20 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1tui n ASN 39 Cb 0.25 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1tui n ASN 39 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1tui n PRO 40 N -0.54 0.00 0.11 3.52 -0.04 0.20 -0.63 135.00 137.62 1tui n PRO 40 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1tui n PRO 40 Cb 0.81 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.24 1tui n PRO 40 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1tui h ASN 41 N 0.00 -0.33 0.00 3.54 2.35 -1.95 -3.45 115.58 115.74 1tui h ASN 41 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1tui h ASN 41 Cb 0.00 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1tui h ASN 41 CO 0.00 -0.19 0.00 0.52 -1.65 0.00 0.00 177.43 176.11 1tui n VAL 42 N -3.01 0.00 -3.28 2.81 0.31 0.20 -4.87 118.33 110.48 1tui n VAL 42 Ca -0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 1tui n VAL 42 Cb 0.13 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.98 1tui n VAL 42 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1tui s GLU 43 N 0.00 3.77 0.23 5.55 2.02 -1.26 -4.89 118.70 124.11 1tui s GLU 43 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 1tui s GLU 43 Cb 0.00 -3.75 -0.09 0.00 0.10 0.00 0.00 34.13 30.39 1tui s GLU 43 CO 0.00 -0.51 1.17 0.08 0.02 0.00 0.00 175.26 176.02 1tui s VAL 44 N 2.28 3.49 0.08 2.63 1.01 -1.26 -4.83 120.40 123.80 1tui s VAL 44 Ca 0.18 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.55 1tui s VAL 44 Cb -0.16 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1tui s VAL 44 CO 0.12 0.26 -0.14 -0.54 0.00 0.00 0.00 175.10 174.80 1tui s LYS 45 N -0.74 0.83 0.50 2.72 -0.14 -1.26 -4.99 119.74 116.66 1tui s LYS 45 Ca 0.50 -0.99 0.08 0.00 -1.36 0.00 0.00 55.97 54.19 1tui s LYS 45 Cb -0.33 -0.79 0.03 0.00 -1.68 0.00 0.00 37.83 35.07 1tui s LYS 45 CO 0.39 0.17 0.53 -0.51 -0.76 0.00 0.00 175.35 175.17 1tui s ASP 46 N -1.87 5.01 0.01 2.83 1.01 -1.26 -4.62 116.67 117.79 1tui s ASP 46 Ca -0.01 -0.89 -0.03 0.00 0.71 0.00 0.00 52.55 52.34 1tui s ASP 46 Cb -0.09 -0.04 -0.01 0.00 1.01 0.00 0.00 42.92 43.79 1tui s ASP 46 CO 0.02 -1.00 1.05 0.22 0.21 0.00 0.00 175.17 175.68 1tui h TYR 47 N 0.66 -0.17 -0.90 4.23 3.20 -1.92 -1.73 116.97 120.34 1tui h TYR 47 Ca -0.37 0.01 0.24 0.00 3.14 0.00 0.00 58.73 61.76 1tui h TYR 47 Cb 1.28 0.08 -0.16 0.00 1.54 0.00 0.00 36.73 39.48 1tui h TYR 47 CO 0.61 -0.04 0.11 0.78 -1.64 0.00 0.00 178.16 177.99 1tui h GLY 48 N -0.02 1.24 0.79 1.82 0.00 -1.97 2.47 103.07 107.40 1tui h GLY 48 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1tui h GLY 48 CO -0.07 -0.43 -0.14 -0.55 0.00 0.00 0.00 176.54 175.35 1tui h ASP 49 N 0.10 -0.34 -0.12 0.19 3.32 -1.86 -1.82 116.42 115.88 1tui h ASP 49 Ca 0.55 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.44 1tui h ASP 49 Cb 1.12 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1tui h ASP 49 CO -0.77 -0.07 -0.03 0.40 -1.72 0.00 0.00 179.24 177.05 1tui h ILE 50 N -0.62 1.17 0.00 0.35 2.04 -0.20 -2.11 117.51 118.14 1tui h ILE 50 Ca -0.04 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1tui h ILE 50 Cb 0.44 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1tui h ILE 50 CO 0.07 0.23 -0.02 -0.78 0.00 0.00 0.00 178.15 177.64 1tui h ASP 51 N 0.36 0.00 -3.63 1.72 3.58 0.48 -3.25 116.42 115.68 1tui h ASP 51 Ca 0.08 0.00 -0.74 0.00 0.42 0.00 0.00 57.03 56.79 1tui h ASP 51 Cb 0.29 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.02 1tui h ASP 51 CO 0.01 0.02 0.03 -0.54 -2.88 0.00 0.00 179.24 175.88 1tui s LYS 52 N -4.82 3.45 0.52 0.28 1.02 -0.74 -4.92 119.74 114.53 1tui s LYS 52 Ca -0.05 -3.00 -0.19 0.00 0.02 0.00 0.00 55.97 52.75 1tui s LYS 52 Cb 0.16 -4.15 -0.07 0.00 -0.52 0.00 0.00 37.83 33.25 1tui s LYS 52 CO 0.62 -1.25 1.07 0.00 -0.92 0.00 0.00 175.35 174.87 1tui s ALA 53 N -0.85 2.78 0.75 5.17 0.00 -1.23 -4.98 121.76 123.40 1tui s ALA 53 Ca 0.25 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 1tui s ALA 53 Cb -0.11 -3.29 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1tui s ALA 53 CO -0.09 -0.56 1.07 -2.14 0.00 0.00 0.00 175.76 174.03 1tui s PRO 54 N -3.37 1.92 0.63 0.00 0.02 -1.22 -4.67 135.00 128.30 1tui s PRO 54 Ca 0.69 -0.33 -0.06 0.00 0.02 0.00 0.00 61.00 61.32 1tui s PRO 54 Cb -0.19 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 32.23 1tui s PRO 54 CO 0.25 -1.45 0.94 -1.21 -0.33 0.00 0.00 177.00 175.20 1tui s GLU 55 N -5.35 2.65 -0.14 5.54 2.02 -1.26 -1.16 118.70 121.00 1tui s GLU 55 Ca 0.63 -0.12 -0.09 0.00 0.02 0.00 0.00 54.97 55.41 1tui s GLU 55 Cb -0.09 -2.24 0.05 0.00 0.10 0.00 0.00 34.13 31.94 1tui s GLU 55 CO 0.46 -0.89 0.34 -1.21 0.02 0.00 0.00 175.26 173.98 1tui s GLU 56 N -5.08 0.34 -0.31 1.61 2.02 -0.59 -4.79 118.70 111.90 1tui s GLU 56 Ca 0.56 0.62 -0.11 0.00 0.02 0.00 0.00 54.97 56.06 1tui s GLU 56 Cb -0.11 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.10 1tui s GLU 56 CO 0.45 -0.13 0.20 1.03 0.02 0.00 0.00 175.26 176.83 1tui s ARG 57 N 1.01 3.65 -0.17 1.61 0.52 -1.26 -0.96 118.95 123.35 1tui s ARG 57 Ca -0.07 -0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 54.60 1tui s ARG 57 Cb -0.07 -3.70 0.05 0.00 0.52 0.00 0.00 34.95 31.75 1tui s ARG 57 CO -0.08 -0.33 0.00 0.00 0.02 0.00 0.00 175.30 174.91 1tui s ALA 58 N 1.72 1.15 -1.40 2.13 0.00 0.14 -4.83 121.76 120.67 1tui s ALA 58 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1tui s ALA 58 Cb -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1tui s ALA 58 CO 0.10 -0.96 0.00 -2.13 0.00 0.00 0.00 175.76 172.77 1tui n ARG 59 N 4.99 -1.29 0.00 0.00 0.63 -1.26 -1.53 116.66 118.20 1tui n ARG 59 Ca -0.10 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1tui n ARG 59 Cb 0.48 -5.17 0.00 0.00 0.45 0.00 0.00 32.46 28.22 1tui n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tui n GLY 60 N -0.61 0.84 3.86 5.14 0.00 -1.26 -4.94 105.19 108.21 1tui n GLY 60 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1tui n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tui s ILE 61 N -2.16 5.05 -0.19 -0.61 1.01 -0.58 -5.01 121.20 118.70 1tui s ILE 61 Ca 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 61.11 1tui s ILE 61 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1tui s ILE 61 CO 0.00 0.28 0.07 -0.89 0.00 0.00 0.00 174.94 174.40 1tui s THR 62 N -1.41 4.79 -0.11 2.92 2.01 -1.26 0.28 115.64 122.87 1tui s THR 62 Ca 0.34 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 1tui s THR 62 Cb -0.14 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1tui s THR 62 CO 0.18 0.44 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.85 1tui s ILE 63 N 0.55 0.99 -0.04 1.82 1.01 -0.14 -4.89 121.20 120.51 1tui s ILE 63 Ca 0.04 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1tui s ILE 63 Cb -0.13 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1tui s ILE 63 CO 0.01 0.35 1.37 0.20 0.00 0.00 0.00 174.94 176.88 1tui s ASN 64 N 1.72 6.88 -0.03 3.58 0.01 -1.25 -1.54 114.94 124.30 1tui s ASN 64 Ca 0.05 2.01 -0.02 0.00 -0.71 0.00 0.00 52.86 54.18 1tui s ASN 64 Cb -0.13 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 38.99 1tui s ASN 64 CO -0.08 -0.73 0.07 -0.89 -1.51 0.00 0.00 177.10 173.97 1tui s THR 65 N 2.73 -0.01 -0.03 1.60 2.01 -0.31 -4.37 115.64 117.26 1tui s THR 65 Ca 0.62 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.74 1tui s THR 65 Cb -0.29 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1tui s THR 65 CO 0.24 0.02 -0.24 0.00 -0.69 0.00 0.00 174.62 173.95 1tui s ALA 66 N 0.31 2.06 0.16 7.40 0.00 0.13 -3.44 121.76 128.38 1tui s ALA 66 Ca -0.02 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 50.99 1tui s ALA 66 Cb -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1tui s ALA 66 CO -0.01 0.47 -0.23 -1.01 0.00 0.00 0.00 175.76 174.98 1tui s HIS 67 N -0.44 2.10 -0.12 0.00 3.76 -1.26 -0.45 115.29 118.88 1tui s HIS 67 Ca 0.05 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.29 1tui s HIS 67 Cb -0.11 -1.07 0.07 0.00 1.11 0.00 0.00 32.58 32.57 1tui s HIS 67 CO 0.00 0.38 0.66 0.08 -0.85 0.00 0.00 174.74 175.01 1tui s VAL 68 N -1.57 0.00 -0.02 -0.90 1.01 -0.51 -4.98 120.40 113.43 1tui s VAL 68 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1tui s VAL 68 Cb -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1tui s VAL 68 CO 0.07 -0.02 -0.21 -1.61 0.00 0.00 0.00 175.10 173.34 1tui s GLU 69 N -0.69 1.74 0.18 2.72 0.41 -1.26 0.21 118.70 122.01 1tui s GLU 69 Ca -0.08 -0.74 -0.09 0.00 -0.41 0.00 0.00 54.97 53.65 1tui s GLU 69 Cb -0.02 -1.65 -0.01 0.00 -1.78 0.00 0.00 34.13 30.67 1tui s GLU 69 CO 0.07 0.43 0.31 1.52 -0.49 0.00 0.00 175.26 177.10 1tui s TYR 70 N -0.44 0.41 -0.01 1.61 -0.85 0.06 -4.51 117.35 113.62 1tui s TYR 70 Ca 0.07 -0.76 0.02 0.00 -0.52 0.00 0.00 57.07 55.88 1tui s TYR 70 Cb -0.09 -0.03 -0.00 0.00 0.38 0.00 0.00 41.96 42.22 1tui s TYR 70 CO -0.00 -0.76 -0.06 -2.00 -1.52 0.00 0.00 175.55 171.21 1tui s GLU 71 N -3.98 0.50 0.38 -3.49 2.12 -1.26 -0.73 118.70 112.25 1tui s GLU 71 Ca 0.19 -0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.32 1tui s GLU 71 Cb 0.03 -0.49 0.02 0.00 0.26 0.00 0.00 34.13 33.94 1tui s GLU 71 CO 0.02 0.12 0.13 0.25 -0.54 0.00 0.00 175.26 175.23 1tui n THR 72 N 2.99 0.00 0.12 -1.70 -2.24 0.24 -4.83 114.28 108.86 1tui n THR 72 Ca -0.14 -1.67 -0.13 0.00 -2.27 0.00 0.00 64.05 59.85 1tui n THR 72 Cb 0.58 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 1tui n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tui h ALA 73 N 0.98 -0.35 -0.65 6.98 0.00 -1.98 -2.94 119.26 121.30 1tui h ALA 73 Ca -0.28 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1tui h ALA 73 Cb 0.92 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1tui h ALA 73 CO 0.46 -0.73 0.07 -0.22 0.00 0.00 0.00 179.25 178.83 1tui h LYS 74 N -0.39 1.10 0.00 0.00 3.64 -1.99 -3.48 116.57 115.45 1tui h LYS 74 Ca 0.01 -0.31 -0.15 0.00 -1.27 0.00 0.00 60.65 58.93 1tui h LYS 74 Cb 0.39 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1tui h LYS 74 CO -0.08 1.03 -0.00 0.54 -2.27 0.00 0.00 179.45 178.67 1tui n ARG 75 N -4.21 0.65 -3.94 1.90 1.74 -1.11 -4.26 116.66 107.44 1tui n ARG 75 Ca 0.04 -2.00 -0.35 0.00 -0.77 0.00 0.00 57.85 54.77 1tui n ARG 75 Cb 0.31 2.09 -0.14 0.00 -1.02 0.00 0.00 32.46 33.70 1tui n ARG 75 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1tui s HIS 76 N -3.55 2.94 -0.12 -1.55 3.76 -0.66 0.82 115.29 116.92 1tui s HIS 76 Ca 0.19 -1.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.03 1tui s HIS 76 Cb -0.02 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1tui s HIS 76 CO 0.14 -0.60 -0.17 0.71 -0.85 0.00 0.00 174.74 173.97 1tui s TYR 77 N 1.44 2.73 -0.13 1.40 2.02 0.09 -0.00 117.35 124.91 1tui s TYR 77 Ca 0.05 -0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 55.92 1tui s TYR 77 Cb -0.14 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1tui s TYR 77 CO -0.05 -0.30 -0.04 -1.54 -1.57 0.00 0.00 175.55 172.05 1tui s SER 78 N 0.39 4.77 -0.09 2.29 1.04 -0.19 -0.76 113.70 121.16 1tui s SER 78 Ca -0.13 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1tui s SER 78 Cb -0.16 -1.63 0.02 0.00 0.10 0.00 0.00 66.02 64.35 1tui s SER 78 CO 0.06 0.23 -0.09 -2.28 0.98 0.00 0.00 173.24 172.14 1tui s HIS 79 N 0.02 1.40 0.32 5.02 2.46 0.57 -0.68 115.29 124.39 1tui s HIS 79 Ca 0.00 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 54.93 1tui s HIS 79 Cb -0.13 -1.12 -0.04 0.00 -0.13 0.00 0.00 32.58 31.16 1tui s HIS 79 CO 0.03 -0.39 0.51 0.08 -2.47 0.00 0.00 174.74 172.50 1tui s VAL 80 N 1.25 5.12 -0.26 0.89 1.01 0.11 -1.43 120.40 127.09 1tui s VAL 80 Ca -0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1tui s VAL 80 Cb -0.14 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1tui s VAL 80 CO -0.03 -0.48 0.58 -0.62 0.00 0.00 0.00 175.10 174.56 1tui s ASP 81 N -3.86 -0.86 0.13 3.32 2.15 0.40 -1.92 116.67 116.04 1tui s ASP 81 Ca 0.40 1.39 0.08 0.00 0.43 0.00 0.00 52.55 54.84 1tui s ASP 81 Cb -0.10 1.88 -0.04 0.00 -0.30 0.00 0.00 42.92 44.37 1tui s ASP 81 CO 0.34 -0.22 -0.09 0.00 -0.17 0.00 0.00 175.17 175.03 1tui h PRO 83 N 3.31 0.63 -5.85 0.00 0.11 -1.92 -3.48 132.00 124.80 1tui h PRO 83 Ca -0.48 -0.51 -0.51 0.00 0.11 0.00 0.00 66.00 64.61 1tui h PRO 83 Cb 1.18 0.10 -0.16 0.00 0.11 0.00 0.00 31.00 32.24 1tui h PRO 83 CO 0.53 1.13 -0.76 0.20 -0.21 0.00 0.00 178.00 178.89 1tui s GLY 84 N -4.19 1.48 0.37 -0.55 0.00 -1.26 -5.02 107.32 98.15 1tui s GLY 84 Ca -0.08 -1.61 0.06 0.00 0.00 0.00 0.00 44.72 43.09 1tui s GLY 84 CO 0.88 -1.68 1.98 0.84 0.00 0.00 0.00 173.10 175.11 1tui h HIS 85 N 2.85 0.71 0.33 1.90 2.76 -1.96 -0.27 115.15 121.48 1tui h HIS 85 Ca -0.40 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.77 1tui h HIS 85 Cb 1.22 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.94 1tui h HIS 85 CO 0.71 0.39 -0.22 0.00 -1.30 0.00 0.00 177.93 177.51 1tui h ALA 86 N 1.63 -0.53 -0.79 5.26 0.00 -2.00 -2.14 119.26 120.69 1tui h ALA 86 Ca 0.28 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1tui h ALA 86 Cb 0.21 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.14 1tui h ALA 86 CO -0.09 -0.82 -0.25 -0.44 0.00 0.00 0.00 179.25 177.66 1tui h ASP 87 N -0.54 -0.90 -0.69 0.00 3.32 -1.44 0.17 116.42 116.34 1tui h ASP 87 Ca -0.03 0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1tui h ASP 87 Cb 0.46 0.54 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 1tui h ASP 87 CO 0.02 -0.28 0.43 1.88 -1.72 0.00 0.00 179.24 179.57 1tui h TYR 88 N -0.03 0.81 0.43 4.55 -1.99 -0.92 0.28 116.97 120.10 1tui h TYR 88 Ca 0.35 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 1tui h TYR 88 Cb 0.58 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 1tui h TYR 88 CO -0.66 0.47 -0.34 0.82 -0.00 0.00 0.00 178.16 178.44 1tui h ILE 89 N 0.85 0.29 0.54 -2.88 1.08 -0.12 -1.52 117.51 115.76 1tui h ILE 89 Ca 0.27 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.72 1tui h ILE 89 Cb 0.01 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 1tui h ILE 89 CO -0.10 0.00 -0.43 0.11 -0.69 0.00 0.00 178.15 177.04 1tui h LYS 90 N -0.77 -0.90 -0.34 2.37 1.57 -0.65 -2.40 116.57 115.45 1tui h LYS 90 Ca -0.04 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1tui h LYS 90 Cb 0.67 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 1tui h LYS 90 CO -0.01 -0.60 -0.27 -0.97 -0.57 0.00 0.00 179.45 177.03 1tui h ASN 91 N -0.94 -0.95 -0.90 0.86 -0.73 -0.97 0.32 115.58 112.27 1tui h ASN 91 Ca -0.07 0.14 0.24 0.00 1.87 0.00 0.00 56.30 58.48 1tui h ASN 91 Cb 0.78 0.40 -0.05 0.00 0.27 0.00 0.00 38.32 39.73 1tui h ASN 91 CO 0.01 -0.15 0.63 0.24 -0.37 0.00 0.00 177.43 177.80 1tui h MET 92 N -0.09 0.13 0.05 6.67 2.86 -1.28 0.27 114.93 123.56 1tui h MET 92 Ca 0.06 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 1tui h MET 92 Cb 0.23 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1tui h MET 92 CO -0.36 0.09 -1.00 0.82 1.06 0.00 0.00 176.91 177.52 1tui h ILE 93 N 0.14 1.20 0.00 -1.22 2.04 -0.53 -3.24 117.51 115.90 1tui h ILE 93 Ca 0.45 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.98 1tui h ILE 93 Cb 1.54 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 40.37 1tui h ILE 93 CO -0.07 0.56 0.00 0.35 0.00 0.00 0.00 178.15 178.99 1tui n THR 94 N -4.26 0.41 -3.54 -0.27 -2.24 0.94 -4.56 114.28 100.77 1tui n THR 94 Ca -0.23 0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1tui n THR 94 Cb 0.73 -0.71 0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1tui n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tui n GLY 95 N 0.85 -0.41 0.47 3.38 0.00 0.94 -4.88 105.19 105.53 1tui n GLY 95 Ca 0.06 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1tui n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tui h ALA 96 N 0.93 -0.88 -3.23 4.61 0.00 -1.82 -3.39 119.26 115.48 1tui h ALA 96 Ca -0.59 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.60 1tui h ALA 96 Cb 1.35 1.00 -0.32 0.00 0.00 0.00 0.00 17.79 19.82 1tui h ALA 96 CO 0.53 -1.09 -0.85 0.00 0.00 0.00 0.00 179.25 177.85 1tui s ALA 97 N -5.72 2.32 -0.27 0.00 0.00 -1.26 -5.12 121.76 111.71 1tui s ALA 97 Ca -0.15 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.61 1tui s ALA 97 Cb 0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1tui s ALA 97 CO 0.61 0.04 0.36 -0.65 0.00 0.00 0.00 175.76 176.13 1tui s GLN 98 N 0.71 4.02 0.14 0.00 -0.21 -1.26 -4.83 119.66 118.22 1tui s GLN 98 Ca -0.09 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 1tui s GLN 98 Cb -0.16 -3.65 -0.08 0.00 1.00 0.00 0.00 33.01 30.13 1tui s GLN 98 CO 0.01 -0.26 1.27 -1.64 -2.12 0.00 0.00 175.29 172.56 1tui s MET 99 N 2.01 4.41 -0.01 2.91 -1.94 -1.26 -4.71 119.30 120.71 1tui s MET 99 Ca 0.15 1.94 0.16 0.00 -1.71 0.00 0.00 55.69 56.22 1tui s MET 99 Cb -0.16 -3.26 -0.19 0.00 2.01 0.00 0.00 34.83 33.23 1tui s MET 99 CO 0.10 -0.26 0.65 -0.25 -0.01 0.00 0.00 175.02 175.25 1tui n ASP 100 N 3.29 0.72 -3.53 3.03 8.00 0.33 -4.64 116.55 123.75 1tui n ASP 100 Ca 0.08 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.82 1tui n ASP 100 Cb 0.44 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 1tui n ASP 100 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1tui s GLY 101 N -4.98 -0.46 0.07 0.44 0.00 -1.19 -3.98 107.32 97.22 1tui s GLY 101 Ca -0.05 0.64 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1tui s GLY 101 CO 0.82 0.21 -0.11 0.00 0.00 0.00 0.00 173.10 174.02 1tui s ALA 102 N -3.41 0.98 -0.37 3.20 0.00 0.31 -3.79 121.76 118.67 1tui s ALA 102 Ca 0.05 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 1tui s ALA 102 Cb -0.01 0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.15 1tui s ALA 102 CO -0.08 0.02 0.18 0.42 0.00 0.00 0.00 175.76 176.30 1tui s ILE 103 N -1.84 4.13 -0.33 0.00 1.01 0.71 -2.23 121.20 122.65 1tui s ILE 103 Ca -0.01 -1.13 -0.23 0.00 0.00 0.00 0.00 60.65 59.28 1tui s ILE 103 Cb -0.07 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1tui s ILE 103 CO 0.01 -0.29 0.78 -0.22 0.00 0.00 0.00 174.94 175.22 1tui s LEU 104 N 1.45 4.11 -0.18 2.97 2.96 0.00 -1.65 118.68 128.34 1tui s LEU 104 Ca 0.01 0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 54.32 1tui s LEU 104 Cb -0.20 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 1tui s LEU 104 CO 0.04 -0.66 0.20 -0.69 -1.32 0.00 0.00 176.35 173.92 1tui s VAL 105 N 3.01 5.37 -0.04 1.68 1.01 -0.53 -1.27 120.40 129.63 1tui s VAL 105 Ca 0.32 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.66 1tui s VAL 105 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1tui s VAL 105 CO 0.14 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.91 1tui s VAL 106 N 0.31 0.77 -0.06 2.92 1.01 -1.07 -4.06 120.40 120.21 1tui s VAL 106 Ca 0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1tui s VAL 106 Cb -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1tui s VAL 106 CO 0.01 0.26 1.32 -0.55 0.00 0.00 0.00 175.10 176.14 1tui s SER 107 N 0.55 6.93 0.50 3.32 0.15 -1.26 -2.36 113.70 121.52 1tui s SER 107 Ca -0.09 1.93 0.15 0.00 0.70 0.00 0.00 55.95 58.64 1tui s SER 107 Cb -0.12 -2.55 1.19 0.00 -1.71 0.00 0.00 66.02 62.82 1tui s SER 107 CO 0.01 -0.70 2.10 0.00 1.20 0.00 0.00 173.24 175.86 1tui h ALA 108 N 7.90 1.91 -0.02 5.45 0.00 -1.69 0.83 119.26 133.64 1tui h ALA 108 Ca -0.34 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1tui h ALA 108 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1tui h ALA 108 CO 0.91 0.07 -0.60 0.00 0.00 0.00 0.00 179.25 179.63 1tui h ALA 109 N 1.94 0.98 0.00 0.00 0.00 -1.85 -3.37 119.26 116.97 1tui h ALA 109 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1tui h ALA 109 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tui h ALA 109 CO 0.01 0.74 -1.32 -0.25 0.00 0.00 0.00 179.25 178.42 1tui n ASP 110 N -3.84 3.45 0.00 0.00 9.92 0.25 -5.11 116.55 121.21 1tui n ASP 110 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1tui n ASP 110 Cb 0.60 1.24 0.00 0.00 -0.64 0.00 0.00 41.12 42.32 1tui n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tui n GLY 111 N 2.17 -1.08 3.73 0.44 0.00 0.26 -4.81 105.19 105.90 1tui n GLY 111 Ca -0.02 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1tui n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tui s PRO 112 N -1.20 2.52 0.35 1.61 0.04 -1.26 -4.30 135.00 132.76 1tui s PRO 112 Ca 0.00 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.10 1tui s PRO 112 Cb 0.00 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1tui s PRO 112 CO 0.00 -1.60 0.23 -1.64 0.04 0.00 0.00 177.00 174.03 1tui s MET 113 N -3.45 1.80 0.13 4.56 -1.94 -1.26 -4.99 119.30 114.14 1tui s MET 113 Ca 0.81 -2.06 -0.26 0.00 -1.71 0.00 0.00 55.69 52.47 1tui s MET 113 Cb -0.36 0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.51 1tui s MET 113 CO 0.40 -0.60 1.62 -1.35 -0.01 0.00 0.00 175.02 175.08 1tui h PRO 114 N 2.04 -0.38 -0.24 2.03 0.11 -1.99 0.25 132.00 133.82 1tui h PRO 114 Ca -0.28 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1tui h PRO 114 Cb 1.24 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1tui h PRO 114 CO 0.42 -0.25 0.08 1.96 -0.21 0.00 0.00 178.00 180.00 1tui h GLN 115 N -0.40 0.34 0.05 1.05 4.20 -1.98 0.13 115.11 118.50 1tui h GLN 115 Ca 0.08 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1tui h GLN 115 Cb 0.52 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1tui h GLN 115 CO -0.29 0.30 -0.37 1.15 -0.67 0.00 0.00 178.83 178.94 1tui h THR 116 N 0.34 0.22 -0.43 -0.54 2.02 -1.31 0.48 112.91 113.69 1tui h THR 116 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1tui h THR 116 Cb 0.10 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1tui h THR 116 CO -0.01 0.00 0.27 -0.09 0.37 0.00 0.00 175.52 176.07 1tui h ARG 117 N -0.56 0.58 0.22 6.66 2.43 0.73 -2.51 114.38 121.92 1tui h ARG 117 Ca 0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1tui h ARG 117 Cb 0.62 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1tui h ARG 117 CO -0.26 0.40 -0.11 0.93 -1.51 0.00 0.00 179.97 179.42 1tui h GLU 118 N 0.59 -0.28 -1.00 0.20 5.08 0.19 -2.05 114.58 117.31 1tui h GLU 118 Ca 0.16 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.76 1tui h GLU 118 Cb -0.04 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1tui h GLU 118 CO -0.03 0.07 0.63 0.45 -1.00 0.00 0.00 179.01 179.12 1tui h HIS 119 N -0.70 0.84 -0.24 4.33 3.86 -0.09 0.28 115.15 123.43 1tui h HIS 119 Ca -0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1tui h HIS 119 Cb 0.49 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1tui h HIS 119 CO 0.04 0.15 0.14 0.82 0.86 0.00 0.00 177.93 179.93 1tui h ILE 120 N 0.56 1.11 -0.19 2.45 2.04 -1.26 0.33 117.51 122.55 1tui h ILE 120 Ca 0.57 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 66.16 1tui h ILE 120 Cb 1.18 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1tui h ILE 120 CO -0.33 0.10 0.11 0.25 0.00 0.00 0.00 178.15 178.28 1tui h LEU 121 N 0.28 0.17 0.27 1.44 5.85 0.18 -1.08 115.31 122.43 1tui h LEU 121 Ca 0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1tui h LEU 121 Cb 0.05 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1tui h LEU 121 CO -0.01 0.13 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.00 1tui h LEU 122 N 0.22 -0.35 -0.97 2.25 3.38 -0.14 0.31 115.31 120.01 1tui h LEU 122 Ca 0.07 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.33 1tui h LEU 122 Cb -0.00 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.71 1tui h LEU 122 CO -0.04 -0.24 0.52 0.00 0.09 0.00 0.00 178.44 178.77 1tui h ALA 123 N 0.34 1.75 -0.25 1.53 0.00 -0.17 2.73 119.26 125.18 1tui h ALA 123 Ca -0.03 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1tui h ALA 123 Cb 0.31 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tui h ALA 123 CO 0.05 -0.42 -0.45 -0.09 0.00 0.00 0.00 179.25 178.35 1tui h ARG 124 N 0.42 0.75 -0.37 0.00 9.65 0.43 0.18 114.38 125.44 1tui h ARG 124 Ca 0.66 -0.47 -0.14 0.00 -1.10 0.00 0.00 59.98 58.93 1tui h ARG 124 Cb 1.36 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.98 1tui h ARG 124 CO -0.55 1.09 -0.33 1.96 2.80 0.00 0.00 179.97 184.94 1tui h GLN 125 N 0.48 0.83 0.00 0.20 4.20 0.42 -2.73 115.11 118.51 1tui h GLN 125 Ca 0.02 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1tui h GLN 125 Cb 1.05 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1tui h GLN 125 CO 0.10 1.03 0.00 0.28 -0.67 0.00 0.00 178.83 179.58 1tui n VAL 126 N -4.07 0.06 0.00 -0.54 0.31 0.85 -4.79 118.33 110.15 1tui n VAL 126 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1tui n VAL 126 Cb 0.50 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1tui n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tui n GLY 127 N 1.32 0.36 3.74 2.92 0.00 0.47 -4.92 105.19 109.08 1tui n GLY 127 Ca 0.10 0.00 -0.66 0.00 0.00 0.00 0.00 46.02 45.45 1tui n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tui n VAL 128 N -1.82 0.05 0.18 1.61 0.31 -0.29 -4.81 118.33 113.56 1tui n VAL 128 Ca 0.00 -0.01 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1tui n VAL 128 Cb 0.00 -0.60 0.22 0.00 -0.91 0.00 0.00 33.84 32.54 1tui n VAL 128 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1tui h PRO 129 N 5.31 0.00 -1.95 5.55 0.11 -1.83 -3.45 132.00 135.75 1tui h PRO 129 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1tui h PRO 129 Cb 1.36 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.26 1tui h PRO 129 CO 0.98 0.36 0.17 -0.47 -0.21 0.00 0.00 178.00 178.83 1tui s TYR 130 N -3.28 -0.74 0.06 0.65 5.04 -1.26 -4.97 117.35 112.85 1tui s TYR 130 Ca 0.03 1.80 0.08 0.00 -2.44 0.00 0.00 57.07 56.54 1tui s TYR 130 Cb 0.09 0.29 -0.03 0.00 0.35 0.00 0.00 41.96 42.65 1tui s TYR 130 CO 0.70 -0.37 -0.22 0.42 -1.34 0.00 0.00 175.55 174.74 1tui s ILE 131 N 0.30 2.50 -0.01 3.14 1.01 -1.26 -0.53 121.20 126.34 1tui s ILE 131 Ca -0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 60.65 59.30 1tui s ILE 131 Cb -0.05 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.39 1tui s ILE 131 CO 0.00 0.30 0.02 -0.69 0.00 0.00 0.00 174.94 174.58 1tui s VAL 132 N -0.91 -0.02 -0.05 2.92 1.01 -0.95 -4.67 120.40 117.74 1tui s VAL 132 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1tui s VAL 132 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1tui s VAL 132 CO 0.04 0.03 0.03 -0.69 0.00 0.00 0.00 175.10 174.51 1tui s VAL 133 N 0.35 4.45 -0.26 2.92 1.01 0.12 -0.82 120.40 128.17 1tui s VAL 133 Ca -0.03 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1tui s VAL 133 Cb -0.04 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.47 1tui s VAL 133 CO -0.01 0.49 -0.06 0.12 0.00 0.00 0.00 175.10 175.64 1tui s PHE 134 N -1.01 2.95 -0.36 5.22 5.36 -0.40 -0.87 117.98 128.87 1tui s PHE 134 Ca 0.17 -2.18 -0.24 0.00 -0.96 0.00 0.00 56.93 53.72 1tui s PHE 134 Cb -0.12 -1.91 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1tui s PHE 134 CO 0.07 -0.85 0.85 1.41 -1.46 0.00 0.00 175.22 175.24 1tui s MET 135 N 1.20 3.80 0.41 10.12 -2.45 0.70 -2.60 119.30 130.48 1tui s MET 135 Ca -0.05 0.44 0.08 0.00 -1.25 0.00 0.00 55.69 54.91 1tui s MET 135 Cb -0.19 -3.80 -0.04 0.00 1.25 0.00 0.00 34.83 32.04 1tui s MET 135 CO -0.06 -0.89 0.25 1.21 1.05 0.00 0.00 175.02 176.57 1tui s ASN 136 N 1.85 4.68 0.00 1.11 3.84 -1.00 -0.13 114.94 125.28 1tui s ASN 136 Ca 0.34 -0.93 0.00 0.00 0.21 0.00 0.00 52.86 52.49 1tui s ASN 136 Cb -0.13 -0.54 0.00 0.00 -0.55 0.00 0.00 41.25 40.03 1tui s ASN 136 CO 0.17 -0.55 0.00 0.29 -2.79 0.00 0.00 177.10 174.22 1tui n LYS 137 N -1.34 -0.37 -0.11 0.43 5.02 -0.82 -1.90 118.16 119.08 1tui n LYS 137 Ca 0.00 0.09 0.26 0.00 -2.02 0.00 0.00 58.31 56.64 1tui n LYS 137 Cb 0.63 -3.42 0.58 0.00 -0.02 0.00 0.00 35.03 32.80 1tui n LYS 137 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1tui h VAL 138 N 0.00 0.15 0.00 -0.18 3.04 -1.75 1.07 116.25 118.58 1tui h VAL 138 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1tui h VAL 138 Cb 0.18 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 1tui h VAL 138 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 175.66 1tui n ASP 139 N -3.45 0.00 -0.59 3.17 5.75 -1.26 -0.98 116.55 119.19 1tui n ASP 139 Ca 0.18 -0.03 0.11 0.00 -0.01 0.00 0.00 54.79 55.03 1tui n ASP 139 Cb 1.18 -0.10 0.02 0.00 -1.03 0.00 0.00 41.12 41.19 1tui n ASP 139 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1tui n MET 140 N -1.10 1.53 -3.70 0.11 2.81 0.37 -4.90 117.12 112.23 1tui n MET 140 Ca 0.03 -1.21 -0.24 0.00 -1.81 0.00 0.00 57.70 54.48 1tui n MET 140 Cb 0.03 -1.44 -0.17 0.00 -0.71 0.00 0.00 33.22 30.92 1tui n MET 140 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1tui s VAL 141 N -2.26 0.17 -0.15 2.03 1.01 -0.15 -5.00 120.40 116.05 1tui s VAL 141 Ca 0.20 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1tui s VAL 141 Cb 0.18 -0.53 -0.24 0.00 0.00 0.00 0.00 36.38 35.79 1tui s VAL 141 CO 0.48 0.04 0.54 0.44 0.00 0.00 0.00 175.10 176.59 1tui h ASP 142 N 8.36 0.12 -0.72 3.32 3.32 -1.90 -3.46 116.42 125.47 1tui h ASP 142 Ca -0.16 -0.80 -0.58 0.00 0.02 0.00 0.00 57.03 55.52 1tui h ASP 142 Cb 1.13 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 1tui h ASP 142 CO 0.25 1.34 1.57 -0.67 -1.72 0.00 0.00 179.24 180.02 1tui n ASP 143 N -4.35 1.40 0.16 6.45 -0.08 -1.26 -4.77 116.55 114.09 1tui n ASP 143 Ca -0.21 0.15 0.12 0.00 -1.51 0.00 0.00 54.79 53.33 1tui n ASP 143 Cb 0.67 -1.18 0.58 0.00 2.34 0.00 0.00 41.12 43.53 1tui n ASP 143 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1tui h PRO 144 N 13.58 0.00 -0.15 -0.67 0.13 -1.99 0.83 132.00 143.72 1tui h PRO 144 Ca -0.17 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.78 1tui h PRO 144 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1tui h PRO 144 CO 1.19 0.00 -0.66 1.49 -0.23 0.00 0.00 178.00 179.79 1tui h GLU 145 N 0.00 0.58 0.21 0.86 4.81 -2.00 -2.37 114.58 116.68 1tui h GLU 145 Ca 0.00 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1tui h GLU 145 Cb 0.11 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1tui h GLU 145 CO 0.00 1.04 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.15 1tui h LEU 146 N 0.42 -0.24 -1.73 1.64 3.38 -1.22 -0.73 115.31 116.82 1tui h LEU 146 Ca -0.02 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.95 1tui h LEU 146 Cb 1.23 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1tui h LEU 146 CO 0.12 -0.00 0.42 -0.07 0.09 0.00 0.00 178.44 179.00 1tui h LEU 147 N -0.48 0.26 -0.14 1.67 3.38 -1.40 0.25 115.31 118.84 1tui h LEU 147 Ca -0.03 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1tui h LEU 147 Cb 0.36 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1tui h LEU 147 CO 0.05 0.14 -0.90 0.44 0.09 0.00 0.00 178.44 178.26 1tui h ASP 148 N 0.28 0.77 0.22 -0.43 3.32 -1.25 -2.29 116.42 117.04 1tui h ASP 148 Ca 0.29 -0.57 0.01 0.00 0.02 0.00 0.00 57.03 56.79 1tui h ASP 148 Cb 0.77 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1tui h ASP 148 CO -0.07 1.36 -0.36 0.25 -1.72 0.00 0.00 179.24 178.71 1tui h LEU 149 N 0.38 -1.01 -0.57 1.55 5.85 0.10 -0.19 115.31 121.41 1tui h LEU 149 Ca -0.08 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1tui h LEU 149 Cb 1.53 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 42.88 1tui h LEU 149 CO 0.17 -0.46 0.28 0.58 -0.34 0.00 0.00 178.44 178.67 1tui h VAL 150 N -0.65 0.91 -0.68 1.05 2.07 -1.26 0.70 116.25 118.39 1tui h VAL 150 Ca 0.01 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1tui h VAL 150 Cb 0.64 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1tui h VAL 150 CO -0.15 0.10 0.36 -0.08 0.02 0.00 0.00 177.57 177.81 1tui h GLU 151 N 0.52 0.61 0.00 1.57 4.81 -1.01 0.27 114.58 121.35 1tui h GLU 151 Ca 0.26 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1tui h GLU 151 Cb 0.21 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1tui h GLU 151 CO -0.20 0.40 -0.48 0.52 -0.73 0.00 0.00 179.01 178.53 1tui h MET 152 N 0.63 0.00 -0.11 1.92 2.86 0.46 0.16 114.93 120.85 1tui h MET 152 Ca 0.32 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1tui h MET 152 Cb 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1tui h MET 152 CO -0.23 0.48 0.05 0.93 1.06 0.00 0.00 176.91 179.20 1tui h GLU 153 N 0.00 0.16 0.53 1.72 5.08 0.15 -1.46 114.58 120.76 1tui h GLU 153 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1tui h GLU 153 Cb 0.93 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1tui h GLU 153 CO 0.06 0.23 -0.48 0.28 -1.00 0.00 0.00 179.01 178.11 1tui h VAL 154 N 0.04 0.06 -0.92 3.13 2.07 -0.28 -2.01 116.25 118.35 1tui h VAL 154 Ca 0.04 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.75 1tui h VAL 154 Cb 0.13 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 29.85 1tui h VAL 154 CO -0.00 0.00 0.48 0.03 0.02 0.00 0.00 177.57 178.10 1tui h ARG 155 N -1.00 0.56 -0.57 1.57 3.08 -0.51 -0.09 114.38 117.42 1tui h ARG 155 Ca -0.06 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1tui h ARG 155 Cb 0.86 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1tui h ARG 155 CO -0.03 0.37 0.06 0.22 -1.07 0.00 0.00 179.97 179.51 1tui h ASP 156 N 0.57 0.90 -0.12 7.04 3.58 -0.98 0.12 116.42 127.53 1tui h ASP 156 Ca 0.55 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1tui h ASP 156 Cb 0.92 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 1tui h ASP 156 CO -0.44 0.92 0.08 -0.07 -2.88 0.00 0.00 179.24 176.85 1tui h LEU 157 N 0.88 0.14 -1.66 2.28 3.38 -0.33 0.42 115.31 120.41 1tui h LEU 157 Ca 0.17 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1tui h LEU 157 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1tui h LEU 157 CO 0.02 0.10 0.23 -0.07 0.09 0.00 0.00 178.44 178.81 1tui h LEU 158 N 0.15 0.39 -0.75 1.67 3.38 -0.83 0.43 115.31 119.76 1tui h LEU 158 Ca 0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1tui h LEU 158 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1tui h LEU 158 CO -0.01 0.28 -0.57 0.78 0.09 0.00 0.00 178.44 179.01 1tui h ASN 159 N 0.46 0.19 0.28 -0.43 4.21 -0.03 0.18 115.58 120.43 1tui h ASN 159 Ca 0.13 -0.10 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 1tui h ASN 159 Cb -0.03 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1tui h ASN 159 CO -0.03 0.72 -0.15 1.56 -1.29 0.00 0.00 177.43 178.24 1tui h GLN 160 N 0.13 0.00 -0.33 0.81 4.20 0.44 -2.55 115.11 117.80 1tui h GLN 160 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1tui h GLN 160 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1tui h GLN 160 CO 0.08 0.15 0.00 0.66 -0.67 0.00 0.00 178.83 179.05 1tui n TYR 161 N -3.93 0.96 -0.34 2.96 4.01 -1.00 -4.94 117.16 114.88 1tui n TYR 161 Ca -0.02 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 1tui n TYR 161 Cb 0.24 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1tui n TYR 161 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1tui n GLU 162 N -0.06 0.00 -1.48 -0.72 1.02 -0.87 -4.91 120.64 113.62 1tui n GLU 162 Ca 0.20 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.02 1tui n GLU 162 Cb 0.81 -1.18 0.08 0.00 -0.02 0.00 0.00 31.44 31.12 1tui n GLU 162 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1tui s PHE 163 N -2.90 2.49 -1.30 -0.32 0.08 0.57 -4.85 117.98 111.75 1tui s PHE 163 Ca 0.00 1.57 -0.16 0.00 0.12 0.00 0.00 56.93 58.46 1tui s PHE 163 Cb 0.00 -3.16 0.10 0.00 -0.57 0.00 0.00 43.02 39.38 1tui s PHE 163 CO 0.00 -1.88 1.73 -0.35 -0.10 0.00 0.00 175.22 174.62 1tui n PRO 164 N -2.97 3.22 0.15 0.24 -0.04 -1.26 -3.90 135.00 130.44 1tui n PRO 164 Ca 0.10 -3.35 0.05 0.00 -0.04 0.00 0.00 63.50 60.26 1tui n PRO 164 Cb 0.52 -3.34 0.49 0.00 -0.04 0.00 0.00 33.50 31.13 1tui n PRO 164 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tui h GLY 165 N 11.34 0.22 1.73 0.55 0.00 -1.79 -1.81 103.07 113.32 1tui h GLY 165 Ca 0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 1tui h GLY 165 CO 1.47 0.10 -0.03 -0.55 0.00 0.00 0.00 176.54 177.53 1tui h ASP 166 N 0.21 0.31 0.13 0.19 3.32 -1.85 -3.27 116.42 115.46 1tui h ASP 166 Ca 0.05 -0.05 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 1tui h ASP 166 Cb 0.16 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1tui h ASP 166 CO 0.00 0.40 -2.11 -0.62 -1.72 0.00 0.00 179.24 175.19 1tui n GLU 167 N -4.32 0.67 -0.48 3.56 1.02 -0.75 -5.02 120.64 115.32 1tui n GLU 167 Ca 0.00 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1tui n GLU 167 Cb 0.22 -1.58 0.27 0.00 -0.02 0.00 0.00 31.44 30.33 1tui n GLU 167 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1tui s VAL 168 N -2.80 1.73 -0.15 2.62 -7.23 -0.81 -4.95 120.40 108.81 1tui s VAL 168 Ca -0.08 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.95 1tui s VAL 168 Cb 0.08 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 1tui s VAL 168 CO 0.85 0.00 0.31 -2.84 -0.31 0.00 0.00 175.10 173.11 1tui s PRO 169 N -4.66 4.22 -0.41 4.82 0.02 -1.26 -4.97 135.00 132.77 1tui s PRO 169 Ca 0.69 0.13 0.03 0.00 0.02 0.00 0.00 61.00 61.87 1tui s PRO 169 Cb -0.21 -3.41 0.11 0.00 0.02 0.00 0.00 34.50 31.01 1tui s PRO 169 CO 0.63 0.27 0.14 0.08 -0.33 0.00 0.00 177.00 177.79 1tui s VAL 170 N 0.36 2.55 -0.06 3.83 1.01 -1.26 0.11 120.40 126.94 1tui s VAL 170 Ca 0.18 -2.59 -0.21 0.00 0.00 0.00 0.00 61.98 59.36 1tui s VAL 170 Cb -0.13 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1tui s VAL 170 CO 0.05 -0.67 0.59 -0.63 0.00 0.00 0.00 175.10 174.44 1tui s ILE 171 N 0.58 5.04 -0.27 2.22 1.01 -0.05 -4.90 121.20 124.83 1tui s ILE 171 Ca 0.12 1.22 -0.08 0.00 0.00 0.00 0.00 60.65 61.91 1tui s ILE 171 Cb -0.21 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1tui s ILE 171 CO -0.05 0.34 0.11 -0.13 0.00 0.00 0.00 174.94 175.20 1tui s ARG 172 N 0.37 3.62 0.00 2.79 0.52 -1.26 -0.21 118.95 124.78 1tui s ARG 172 Ca 0.32 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1tui s ARG 172 Cb -0.17 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 31.87 1tui s ARG 172 CO 0.15 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1tui n GLY 173 N 4.96 2.51 2.75 -3.53 0.00 0.81 -4.98 105.19 107.71 1tui n GLY 173 Ca -0.15 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1tui n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tui s SER 174 N 0.45 3.83 0.24 1.61 0.15 -1.26 -1.95 113.70 116.77 1tui s SER 174 Ca 0.00 -1.47 -0.05 0.00 0.70 0.00 0.00 55.95 55.14 1tui s SER 174 Cb 0.00 -0.84 0.26 0.00 -1.71 0.00 0.00 66.02 63.72 1tui s SER 174 CO 0.00 -0.38 1.76 0.00 1.20 0.00 0.00 173.24 175.82 1tui h ALA 175 N 8.11 1.07 0.24 5.45 0.00 -1.94 -2.24 119.26 129.94 1tui h ALA 175 Ca -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1tui h ALA 175 Cb 1.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1tui h ALA 175 CO 0.44 0.61 -0.26 1.25 0.00 0.00 0.00 179.25 181.29 1tui h LEU 176 N 0.92 -0.71 -0.60 0.00 6.46 -1.94 -1.63 115.31 117.81 1tui h LEU 176 Ca 0.19 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 58.06 1tui h LEU 176 Cb 0.37 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 1tui h LEU 176 CO 0.01 -0.37 0.33 -0.07 -0.62 0.00 0.00 178.44 177.72 1tui h LEU 177 N -0.54 0.51 0.35 2.25 3.38 -1.93 -1.28 115.31 118.05 1tui h LEU 177 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tui h LEU 177 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1tui h LEU 177 CO -0.07 0.34 -0.32 0.00 0.09 0.00 0.00 178.44 178.48 1tui h ALA 178 N 1.30 -0.70 -0.84 1.53 0.00 -1.34 -2.06 119.26 117.14 1tui h ALA 178 Ca 0.26 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1tui h ALA 178 Cb 0.12 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.23 1tui h ALA 178 CO -0.15 -0.93 0.24 1.25 0.00 0.00 0.00 179.25 179.66 1tui h LEU 179 N -0.69 0.04 -1.11 0.00 5.85 -0.93 0.43 115.31 118.90 1tui h LEU 179 Ca -0.02 0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1tui h LEU 179 Cb 0.62 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1tui h LEU 179 CO -0.05 -0.10 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.43 1tui h GLU 180 N 0.25 0.01 -0.03 1.25 4.22 -0.89 -1.25 114.58 118.13 1tui h GLU 180 Ca 0.51 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.95 1tui h GLU 180 Cb 0.99 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1tui h GLU 180 CO -0.60 0.45 0.00 0.93 -2.18 0.00 0.00 179.01 177.61 1tui h GLU 181 N 0.01 0.05 -0.63 1.92 4.39 0.50 0.57 114.58 121.39 1tui h GLU 181 Ca -0.00 -0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.86 1tui h GLU 181 Cb 0.78 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 1tui h GLU 181 CO 0.06 0.34 0.48 0.52 -1.16 0.00 0.00 179.01 179.25 1tui h MET 182 N -0.24 0.00 -0.01 2.33 2.86 -1.04 1.27 114.93 120.10 1tui h MET 182 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1tui h MET 182 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1tui h MET 182 CO 0.00 0.00 -0.04 0.45 1.06 0.00 0.00 176.91 178.38 1tui h HIS 183 N 0.00 0.07 -0.71 -0.22 3.86 0.35 -2.13 115.15 116.37 1tui h HIS 183 Ca 0.30 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.42 1tui h HIS 183 Cb 1.26 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.69 1tui h HIS 183 CO 0.00 0.67 0.20 -0.22 0.86 0.00 0.00 177.93 179.44 1tui h LYS 184 N -0.55 1.11 -2.22 2.45 3.64 0.54 -3.39 116.57 118.15 1tui h LYS 184 Ca -0.00 -0.24 -0.52 0.00 -1.27 0.00 0.00 60.65 58.61 1tui h LYS 184 Cb 0.67 -0.16 -0.35 0.00 -0.41 0.00 0.00 32.23 31.98 1tui h LYS 184 CO 0.01 0.96 -0.88 -0.80 -2.27 0.00 0.00 179.45 176.46 1tui s ASN 185 N -6.46 1.33 0.52 4.20 0.01 0.37 -4.94 114.94 109.99 1tui s ASN 185 Ca -0.12 -2.66 0.25 0.00 -0.71 0.00 0.00 52.86 49.63 1tui s ASN 185 Cb 0.15 -0.10 1.37 0.00 0.41 0.00 0.00 41.25 43.09 1tui s ASN 185 CO 0.84 -0.19 1.96 -0.65 -1.51 0.00 0.00 177.10 177.55 1tui h PRO 186 N 5.91 0.05 -0.05 -0.60 0.11 -1.58 0.54 132.00 136.39 1tui h PRO 186 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1tui h PRO 186 Cb 0.95 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1tui h PRO 186 CO 0.30 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 179.75 1tui n LYS 187 N -4.37 1.63 -1.68 1.05 5.02 -1.26 -4.50 118.16 114.04 1tui n LYS 187 Ca 0.12 -0.92 -0.42 0.00 -2.02 0.00 0.00 58.31 55.07 1tui n LYS 187 Cb 0.67 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1tui n LYS 187 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1tui n THR 188 N 0.12 2.27 -4.22 -0.18 -1.04 0.19 -4.97 114.28 106.44 1tui n THR 188 Ca 0.19 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.59 1tui n THR 188 Cb 0.33 -1.49 -0.03 0.00 -1.82 0.00 0.00 70.33 67.32 1tui n THR 188 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1tui n LYS 189 N 0.32 0.86 -0.68 -2.82 5.02 -1.26 -4.79 118.16 114.80 1tui n LYS 189 Ca 0.06 -1.47 -0.28 0.00 -2.02 0.00 0.00 58.31 54.60 1tui n LYS 189 Cb 0.38 0.76 0.14 0.00 -0.02 0.00 0.00 35.03 36.28 1tui n LYS 189 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1tui n ARG 190 N -0.40 -1.55 0.00 1.97 0.63 -1.26 -2.22 116.66 113.83 1tui n ARG 190 Ca -0.03 -0.45 0.00 0.00 -0.92 0.00 0.00 57.85 56.45 1tui n ARG 190 Cb 0.26 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.67 1tui n ARG 190 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tui n GLY 191 N 2.42 0.00 0.36 5.14 0.00 -1.26 -4.52 105.19 107.33 1tui n GLY 191 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1tui n GLY 191 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tui h GLU 192 N 0.00 -0.84 -6.29 1.61 5.08 -1.86 -3.44 114.58 108.83 1tui h GLU 192 Ca 0.00 0.06 -0.63 0.00 -1.00 0.00 0.00 59.36 57.79 1tui h GLU 192 Cb 0.00 0.19 -0.27 0.00 0.50 0.00 0.00 28.75 29.17 1tui h GLU 192 CO 0.00 -0.56 -0.86 1.21 -1.00 0.00 0.00 179.01 177.80 1tui s ASN 193 N -4.43 2.70 0.12 1.42 2.47 -1.26 -5.06 114.94 110.90 1tui s ASN 193 Ca -0.17 -0.50 -0.19 0.00 0.42 0.00 0.00 52.86 52.41 1tui s ASN 193 Cb 0.03 -0.26 -0.06 0.00 -1.45 0.00 0.00 41.25 39.51 1tui s ASN 193 CO 0.61 0.23 1.77 -0.08 -3.72 0.00 0.00 177.10 175.91 1tui h GLU 194 N 5.10 0.28 -0.14 0.43 4.81 -1.98 0.31 114.58 123.39 1tui h GLU 194 Ca -0.43 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1tui h GLU 194 Cb 1.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1tui h GLU 194 CO 0.45 0.20 0.02 -1.49 -0.73 0.00 0.00 179.01 177.46 1tui h TRP 195 N 0.28 0.26 -0.82 0.92 -0.00 -1.94 -2.62 115.95 112.03 1tui h TRP 195 Ca 0.08 -0.04 0.09 0.00 -0.00 0.00 0.00 58.89 59.02 1tui h TRP 195 Cb -0.02 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.16 29.01 1tui h TRP 195 CO -0.06 0.44 0.53 0.28 -0.00 0.00 0.00 178.44 179.63 1tui h VAL 196 N 0.01 0.97 0.00 1.49 2.07 -1.82 -0.90 116.25 118.07 1tui h VAL 196 Ca 0.04 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1tui h VAL 196 Cb 0.32 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1tui h VAL 196 CO 0.00 0.14 -0.15 0.44 0.02 0.00 0.00 177.57 178.03 1tui h ASP 197 N 0.79 0.00 -0.22 0.57 5.19 -0.57 -1.46 116.42 120.72 1tui h ASP 197 Ca 0.37 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.63 1tui h ASP 197 Cb 0.40 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1tui h ASP 197 CO -0.14 0.15 -0.41 0.11 -3.12 0.00 0.00 179.24 175.82 1tui h LYS 198 N 0.00 0.77 -0.76 3.56 1.79 -0.94 -0.82 116.57 120.17 1tui h LYS 198 Ca -0.00 -0.41 0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1tui h LYS 198 Cb 0.47 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.09 1tui h LYS 198 CO 0.02 1.03 0.48 0.82 -1.08 0.00 0.00 179.45 180.73 1tui h ILE 199 N 0.62 1.12 -0.44 1.86 1.08 -1.28 0.16 117.51 120.64 1tui h ILE 199 Ca 0.05 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1tui h ILE 199 Cb 0.97 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1tui h ILE 199 CO 0.09 0.17 0.29 -0.50 -0.69 0.00 0.00 178.15 177.52 1tui h TRP 200 N 0.95 0.47 -0.27 1.37 4.06 -0.32 0.19 115.95 122.40 1tui h TRP 200 Ca 0.30 0.01 -0.10 0.00 2.06 0.00 0.00 58.89 61.16 1tui h TRP 200 Cb 0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 1tui h TRP 200 CO -0.03 0.28 -0.24 0.93 -3.56 0.00 0.00 178.44 175.81 1tui h GLU 201 N 0.49 0.52 0.50 0.49 5.08 0.66 0.30 114.58 122.61 1tui h GLU 201 Ca 0.18 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1tui h GLU 201 Cb 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1tui h GLU 201 CO -0.04 0.73 -0.24 1.25 -1.00 0.00 0.00 179.01 179.70 1tui h LEU 202 N 0.46 -0.57 -0.63 1.33 5.85 -0.06 0.82 115.31 122.51 1tui h LEU 202 Ca 0.07 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1tui h LEU 202 Cb 0.67 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1tui h LEU 202 CO 0.05 -0.29 0.27 -0.07 -0.34 0.00 0.00 178.44 178.07 1tui h LEU 203 N -0.84 0.32 -0.36 2.25 3.38 -0.47 0.37 115.31 119.96 1tui h LEU 203 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tui h LEU 203 Cb 0.59 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1tui h LEU 203 CO 0.11 0.19 0.23 0.44 0.09 0.00 0.00 178.44 179.50 1tui h ASP 204 N 0.48 0.42 -0.67 -0.43 3.32 -0.05 -0.23 116.42 119.27 1tui h ASP 204 Ca 0.31 -0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.43 1tui h ASP 204 Cb 0.35 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 1tui h ASP 204 CO -0.28 0.33 0.30 0.00 -1.72 0.00 0.00 179.24 177.87 1tui h ALA 205 N 1.11 0.91 0.68 3.45 0.00 0.28 0.47 119.26 126.16 1tui h ALA 205 Ca 0.13 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1tui h ALA 205 Cb -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1tui h ALA 205 CO -0.03 -0.12 -0.44 0.82 0.00 0.00 0.00 179.25 179.48 1tui h ILE 206 N 0.51 0.00 -0.87 0.00 2.04 0.36 0.61 117.51 120.15 1tui h ILE 206 Ca 0.34 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.36 1tui h ILE 206 Cb 0.40 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.38 1tui h ILE 206 CO -0.29 0.00 0.45 0.44 0.00 0.00 0.00 178.15 178.74 1tui h ASP 207 N -1.06 0.52 0.11 1.72 3.32 0.11 -1.62 116.42 119.53 1tui h ASP 207 Ca -0.09 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1tui h ASP 207 Cb 0.85 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1tui h ASP 207 CO 0.08 0.19 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.65 1tui h GLU 208 N 0.60 -0.15 0.04 3.56 4.81 0.31 -3.39 114.58 120.37 1tui h GLU 208 Ca 0.49 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.51 1tui h GLU 208 Cb 0.75 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1tui h GLU 208 CO -0.39 0.35 -1.05 1.88 -0.73 0.00 0.00 179.01 179.07 1tui h TYR 209 N -0.82 0.21 -3.53 0.92 0.05 0.38 -3.43 116.97 110.75 1tui h TYR 209 Ca -0.02 -0.14 -0.60 0.00 0.05 0.00 0.00 58.73 58.02 1tui h TYR 209 Cb 0.56 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 38.19 1tui h TYR 209 CO 0.11 1.08 0.64 0.42 -1.05 0.00 0.00 178.16 179.36 1tui s ILE 210 N -2.80 4.39 0.60 -2.88 1.01 -0.62 -4.96 121.20 115.93 1tui s ILE 210 Ca -0.01 0.70 -0.19 0.00 0.00 0.00 0.00 60.65 61.15 1tui s ILE 210 Cb 0.09 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 1tui s ILE 210 CO 0.84 -0.96 1.02 -2.65 0.00 0.00 0.00 174.94 173.20 1tui n PRO 211 N 7.40 0.98 -2.97 2.79 -0.02 -1.26 -4.82 135.00 137.09 1tui n PRO 211 Ca 0.06 0.38 -0.40 0.00 -2.02 0.00 0.00 63.50 61.51 1tui n PRO 211 Cb 0.48 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1tui n PRO 211 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1tui s THR 212 N -1.48 4.92 0.61 3.45 -4.23 -1.26 -4.96 115.64 112.70 1tui s THR 212 Ca 0.76 1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 62.76 1tui s THR 212 Cb -0.42 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.27 1tui s THR 212 CO 0.47 0.27 1.03 -2.16 -0.54 0.00 0.00 174.62 173.68 1tui s PRO 213 N 0.57 3.61 0.17 3.99 0.04 -1.26 -5.04 135.00 137.07 1tui s PRO 213 Ca 0.40 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 1tui s PRO 213 Cb -0.19 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 1tui s PRO 213 CO 0.21 -0.56 1.03 0.08 0.04 0.00 0.00 177.00 177.81 1tui s VAL 214 N -3.16 4.10 0.23 -0.36 1.01 -1.26 -4.99 120.40 115.97 1tui s VAL 214 Ca 0.55 1.83 -0.30 0.00 0.00 0.00 0.00 61.98 64.06 1tui s VAL 214 Cb -0.11 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1tui s VAL 214 CO 0.53 0.32 0.97 -0.60 0.00 0.00 0.00 175.10 176.33 1tui s ARG 215 N -0.39 4.80 0.18 2.72 6.06 -1.26 -4.90 118.95 126.15 1tui s ARG 215 Ca 0.47 1.54 -0.19 0.00 -2.50 0.00 0.00 55.73 55.05 1tui s ARG 215 Cb -0.27 -3.28 0.11 0.00 0.06 0.00 0.00 34.95 31.58 1tui s ARG 215 CO 0.33 0.43 1.63 -0.44 -2.50 0.00 0.00 175.30 174.74 1tui h ASP 216 N 4.30 -0.73 -0.30 -2.12 3.32 -1.94 0.38 116.42 119.33 1tui h ASP 216 Ca -0.45 0.17 0.09 0.00 0.02 0.00 0.00 57.03 56.85 1tui h ASP 216 Cb 1.20 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1tui h ASP 216 CO 0.68 -0.24 0.45 -0.37 -1.72 0.00 0.00 179.24 178.04 1tui h VAL 217 N -0.13 0.24 0.00 -1.35 -1.51 -1.90 0.74 116.25 112.35 1tui h VAL 217 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 1tui h VAL 217 Cb 0.45 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1tui h VAL 217 CO -0.52 0.00 -0.79 0.47 -1.23 0.00 0.00 177.57 175.51 1tui n ASP 218 N -3.43 0.65 -4.80 4.19 8.00 0.13 -3.63 116.55 117.66 1tui n ASP 218 Ca 0.05 -0.05 -0.31 0.00 0.71 0.00 0.00 54.79 55.18 1tui n ASP 218 Cb 0.58 0.44 0.06 0.00 -0.02 0.00 0.00 41.12 42.18 1tui n ASP 218 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tui s LYS 219 N -3.17 2.76 0.35 -1.24 1.02 0.25 -4.91 119.74 114.80 1tui s LYS 219 Ca 0.05 1.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.84 1tui s LYS 219 Cb 0.14 -1.96 -0.11 0.00 -0.52 0.00 0.00 37.83 35.38 1tui s LYS 219 CO 0.75 -1.25 1.51 -2.14 -0.92 0.00 0.00 175.35 173.31 1tui s PRO 220 N -4.82 4.13 0.18 -1.68 0.02 -1.26 -2.79 135.00 128.77 1tui s PRO 220 Ca 0.60 2.55 -0.33 0.00 0.02 0.00 0.00 61.00 63.84 1tui s PRO 220 Cb -0.16 -2.99 -0.14 0.00 0.02 0.00 0.00 34.50 31.23 1tui s PRO 220 CO 0.52 -0.55 1.51 0.34 -0.33 0.00 0.00 177.00 178.49 1tui n PHE 221 N 1.03 2.19 -3.69 6.54 7.35 -1.22 -4.39 117.46 125.28 1tui n PHE 221 Ca 0.03 0.34 -0.11 0.00 -0.76 0.00 0.00 57.45 56.96 1tui n PHE 221 Cb 0.39 -2.50 -0.09 0.00 0.35 0.00 0.00 39.48 37.62 1tui n PHE 221 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1tui s LEU 222 N 0.63 -0.21 -0.10 -2.13 2.96 -0.17 0.89 118.68 120.56 1tui s LEU 222 Ca 0.76 1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 55.68 1tui s LEU 222 Cb -0.69 1.69 0.05 0.00 0.50 0.00 0.00 46.19 47.74 1tui s LEU 222 CO 0.42 -0.20 0.23 -0.32 -1.32 0.00 0.00 176.35 175.16 1tui s MET 223 N 1.05 0.16 -0.11 1.98 -2.45 0.15 -1.14 119.30 118.95 1tui s MET 223 Ca -0.06 0.56 -0.21 0.00 -1.25 0.00 0.00 55.69 54.73 1tui s MET 223 Cb -0.06 -0.13 -0.04 0.00 1.25 0.00 0.00 34.83 35.86 1tui s MET 223 CO -0.10 -0.21 0.59 -1.25 1.05 0.00 0.00 175.02 175.11 1tui s PRO 224 N 1.61 4.37 0.06 4.11 0.05 -1.26 0.23 135.00 144.15 1tui s PRO 224 Ca -0.06 0.65 -0.31 0.00 0.05 0.00 0.00 61.00 61.33 1tui s PRO 224 Cb -0.11 -3.46 -0.07 0.00 0.05 0.00 0.00 34.50 30.91 1tui s PRO 224 CO -0.08 0.07 1.48 0.08 0.05 0.00 0.00 177.00 178.61 1tui s VAL 225 N 0.84 3.35 -0.16 -0.36 1.01 -0.52 -4.55 120.40 120.02 1tui s VAL 225 Ca 0.31 0.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 1tui s VAL 225 Cb -0.16 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1tui s VAL 225 CO 0.14 0.02 -0.26 1.21 0.00 0.00 0.00 175.10 176.20 1tui n GLU 226 N 5.05 0.41 -4.21 2.72 2.13 0.23 -1.83 120.64 125.14 1tui n GLU 226 Ca 0.14 0.17 -0.15 0.00 0.66 0.00 0.00 57.16 57.98 1tui n GLU 226 Cb 0.42 -1.20 -0.11 0.00 0.27 0.00 0.00 31.44 30.83 1tui n GLU 226 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1tui s ASP 227 N -6.41 1.68 -0.01 4.31 1.11 -1.15 -4.50 116.67 111.70 1tui s ASP 227 Ca -0.25 -0.87 0.05 0.00 0.18 0.00 0.00 52.55 51.66 1tui s ASP 227 Cb 0.07 -0.02 -0.01 0.00 1.07 0.00 0.00 42.92 44.04 1tui s ASP 227 CO 0.34 -0.25 -0.15 -0.69 1.18 0.00 0.00 175.17 175.59 1tui s VAL 228 N -2.63 1.18 0.16 -1.27 1.01 -1.25 0.11 120.40 117.71 1tui s VAL 228 Ca 0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1tui s VAL 228 Cb -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1tui s VAL 228 CO 0.01 0.33 0.26 -0.36 0.00 0.00 0.00 175.10 175.34 1tui s PHE 229 N -0.33 0.45 -0.09 5.22 0.40 0.25 -4.94 117.98 118.95 1tui s PHE 229 Ca 0.05 -0.81 0.03 0.00 -0.60 0.00 0.00 56.93 55.60 1tui s PHE 229 Cb -0.06 -0.10 0.01 0.00 0.51 0.00 0.00 43.02 43.38 1tui s PHE 229 CO -0.00 -0.70 -0.19 0.95 0.70 0.00 0.00 175.22 175.98 1tui s THR 230 N -3.98 1.67 -0.82 0.64 -4.23 -1.25 0.30 115.64 107.97 1tui s THR 230 Ca 0.18 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1tui s THR 230 Cb 0.04 -1.48 0.22 0.00 1.34 0.00 0.00 72.50 72.62 1tui s THR 230 CO 0.00 0.47 0.75 -0.63 -0.54 0.00 0.00 174.62 174.67 1tui s ILE 231 N 0.56 5.37 0.00 2.99 1.01 0.24 -4.88 121.20 126.48 1tui s ILE 231 Ca -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 60.65 57.87 1tui s ILE 231 Cb -0.17 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1tui s ILE 231 CO 0.05 -1.02 0.00 0.35 0.00 0.00 0.00 174.94 174.32 1tui n THR 232 N 3.79 0.00 1.23 2.92 -2.24 -1.26 0.42 114.28 119.14 1tui n THR 232 Ca 0.14 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 1tui n THR 232 Cb 0.45 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.07 1tui n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tui n GLY 233 N -0.02 -0.75 0.00 3.38 0.00 -1.26 -4.26 105.19 102.27 1tui n GLY 233 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1tui n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tui n ARG 234 N -0.82 0.00 0.00 1.61 1.74 1.42 -5.12 116.66 115.50 1tui n ARG 234 Ca 0.11 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1tui n ARG 234 Cb 0.34 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 1tui n ARG 234 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tui n GLY 235 N 2.05 0.37 3.76 -0.13 0.00 0.24 -4.91 105.19 106.56 1tui n GLY 235 Ca 0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1tui n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tui s THR 236 N -3.51 4.64 -0.15 2.61 2.01 -1.26 0.79 115.64 120.77 1tui s THR 236 Ca 0.00 1.62 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 1tui s THR 236 Cb 0.00 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.44 1tui s THR 236 CO 0.00 0.41 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.57 1tui s VAL 237 N -0.38 1.26 -0.28 3.82 1.01 0.87 -0.48 120.40 126.21 1tui s VAL 237 Ca 0.37 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1tui s VAL 237 Cb -0.21 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1tui s VAL 237 CO 0.23 0.26 0.26 0.00 0.00 0.00 0.00 175.10 175.85 1tui s ALA 238 N 1.59 3.54 0.28 5.51 0.00 -0.73 -0.58 121.76 131.36 1tui s ALA 238 Ca 0.02 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.05 1tui s ALA 238 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1tui s ALA 238 CO -0.08 -0.62 0.05 0.95 0.00 0.00 0.00 175.76 176.06 1tui s THR 239 N 1.87 3.53 0.00 0.00 -4.23 0.12 -0.79 115.64 116.13 1tui s THR 239 Ca 0.10 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1tui s THR 239 Cb -0.16 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1tui s THR 239 CO 0.11 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1tui n GLY 240 N -0.99 3.15 3.72 3.99 0.00 -0.95 0.77 105.19 114.88 1tui n GLY 240 Ca -0.06 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1tui n GLY 240 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tui s ARG 241 N -2.22 4.56 0.11 1.61 3.52 -1.26 -2.39 118.95 122.88 1tui s ARG 241 Ca 0.00 1.62 -0.30 0.00 -0.13 0.00 0.00 55.73 56.91 1tui s ARG 241 Cb 0.00 -3.36 -0.07 0.00 -1.56 0.00 0.00 34.95 29.97 1tui s ARG 241 CO 0.00 -0.03 1.16 0.42 -0.81 0.00 0.00 175.30 176.04 1tui s ILE 242 N 0.48 3.95 -0.09 4.11 1.01 0.95 -4.47 121.20 127.13 1tui s ILE 242 Ca 0.52 1.51 -0.07 0.00 0.00 0.00 0.00 60.65 62.61 1tui s ILE 242 Cb -0.26 -3.97 -0.28 0.00 0.01 0.00 0.00 42.46 37.96 1tui s ILE 242 CO 0.31 0.18 0.48 -0.08 0.00 0.00 0.00 174.94 175.83 1tui h GLU 243 N 6.01 0.30 -1.99 2.79 4.81 -1.47 -0.08 114.58 124.95 1tui h GLU 243 Ca -0.43 -0.51 -0.05 0.00 -0.13 0.00 0.00 59.36 58.24 1tui h GLU 243 Cb 1.21 0.19 -0.20 0.00 0.63 0.00 0.00 28.75 30.59 1tui h GLU 243 CO 0.77 1.23 0.19 -0.98 -0.73 0.00 0.00 179.01 179.48 1tui s ARG 244 N -2.57 1.00 4.01 1.92 1.70 -1.05 -4.59 118.95 119.37 1tui s ARG 244 Ca -0.20 0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.48 1tui s ARG 244 Cb 0.06 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1tui s ARG 244 CO 0.80 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 175.15 1tui n GLY 245 N 1.29 0.44 3.38 3.88 0.00 -0.73 -0.99 105.19 112.46 1tui n GLY 245 Ca -0.18 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1tui n GLY 245 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tui s LYS 246 N 0.00 1.14 -0.02 1.61 0.00 -1.26 0.16 119.74 121.37 1tui s LYS 246 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 55.97 55.56 1tui s LYS 246 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 37.83 38.34 1tui s LYS 246 CO 0.00 -0.45 -0.15 0.14 0.00 0.00 0.00 175.35 174.88 1tui s VAL 247 N -3.31 1.23 0.12 1.79 -7.23 0.54 -4.82 120.40 108.72 1tui s VAL 247 Ca -0.01 -0.65 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1tui s VAL 247 Cb 0.00 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1tui s VAL 247 CO -0.09 0.35 -0.17 -1.59 -0.31 0.00 0.00 175.10 173.29 1tui s LYS 248 N -0.27 1.09 0.72 4.82 -2.85 -1.26 0.41 119.74 122.39 1tui s LYS 248 Ca 0.04 -1.22 -0.16 0.00 -1.00 0.00 0.00 55.97 53.62 1tui s LYS 248 Cb -0.07 -1.14 -0.05 0.00 -2.06 0.00 0.00 37.83 34.51 1tui s LYS 248 CO -0.00 0.24 0.43 0.28 0.10 0.00 0.00 175.35 176.40 1tui n VAL 249 N 0.72 1.56 0.00 1.79 0.31 -1.25 -1.49 118.33 119.97 1tui n VAL 249 Ca -0.17 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1tui n VAL 249 Cb 0.56 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1tui n VAL 249 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tui n GLY 250 N 1.78 2.62 3.75 2.92 0.00 0.38 -4.97 105.19 111.67 1tui n GLY 250 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1tui n GLY 250 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tui s ASP 251 N -3.65 6.73 -0.12 1.61 1.11 -0.56 -4.77 116.67 117.03 1tui s ASP 251 Ca 0.00 2.64 -0.06 0.00 0.18 0.00 0.00 52.55 55.31 1tui s ASP 251 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1tui s ASP 251 CO 0.00 -0.62 0.09 -0.70 1.18 0.00 0.00 175.17 175.13 1tui s GLU 252 N -0.85 3.37 0.08 8.23 2.12 -1.26 -0.64 118.70 129.75 1tui s GLU 252 Ca 0.55 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.62 1tui s GLU 252 Cb -0.40 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1tui s GLU 252 CO 0.46 0.71 0.05 0.14 -0.54 0.00 0.00 175.26 176.08 1tui s VAL 253 N -0.85 0.17 -0.03 3.70 -7.23 0.09 -4.44 120.40 111.82 1tui s VAL 253 Ca 0.13 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1tui s VAL 253 Cb -0.12 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1tui s VAL 253 CO 0.03 -0.78 0.13 -1.61 -0.31 0.00 0.00 175.10 172.55 1tui s GLU 254 N -3.93 3.26 -0.42 4.82 2.02 -0.10 -1.02 118.70 123.34 1tui s GLU 254 Ca 0.10 -0.36 -0.15 0.00 0.02 0.00 0.00 54.97 54.58 1tui s GLU 254 Cb 0.07 -3.00 0.03 0.00 0.10 0.00 0.00 34.13 31.33 1tui s GLU 254 CO -0.07 0.68 0.33 0.42 0.02 0.00 0.00 175.26 176.63 1tui s ILE 255 N -1.20 5.23 -0.11 -1.63 1.01 0.48 -0.03 121.20 124.95 1tui s ILE 255 Ca 0.23 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1tui s ILE 255 Cb -0.12 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1tui s ILE 255 CO 0.14 -0.35 -0.06 -0.69 0.00 0.00 0.00 174.94 173.97 1tui s VAL 256 N 1.74 3.70 0.00 2.92 1.01 0.22 -2.27 120.40 127.73 1tui s VAL 256 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1tui s VAL 256 Cb -0.19 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1tui s VAL 256 CO 0.10 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1tui n GLY 257 N 2.88 2.48 4.99 4.51 0.00 -1.26 -0.16 105.19 118.64 1tui n GLY 257 Ca -0.18 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1tui n GLY 257 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tui n LEU 258 N 0.00 0.00 -4.81 0.99 4.77 0.11 -4.78 117.00 113.28 1tui n LEU 258 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1tui n LEU 258 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1tui n LEU 258 CO 0.00 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 176.77 1tui s ALA 259 N 0.00 2.48 -0.15 -1.18 0.00 -1.26 -4.64 121.76 117.01 1tui s ALA 259 Ca 0.00 -0.04 0.28 0.00 0.00 0.00 0.00 51.96 52.20 1tui s ALA 259 Cb 0.00 -3.15 1.27 0.00 0.00 0.00 0.00 23.12 21.25 1tui s ALA 259 CO 0.00 -1.45 1.85 -1.00 0.00 0.00 0.00 175.76 175.15 1tui h PRO 260 N -0.89 0.00 -3.32 0.00 0.13 -1.99 -3.45 132.00 122.48 1tui h PRO 260 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1tui h PRO 260 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1tui h PRO 260 CO 0.58 0.00 -0.09 -1.21 -0.23 0.00 0.00 178.00 177.04 1tui s GLU 261 N -3.54 1.02 0.01 0.86 2.02 -1.26 -5.14 118.70 112.67 1tui s GLU 261 Ca 0.01 -0.63 -0.25 0.00 0.02 0.00 0.00 54.97 54.12 1tui s GLU 261 Cb 0.09 0.45 -0.05 0.00 0.10 0.00 0.00 34.13 34.72 1tui s GLU 261 CO 0.40 -0.39 0.76 0.99 0.02 0.00 0.00 175.26 177.04 1tui s THR 262 N -3.48 4.83 0.05 3.63 2.01 -1.26 -4.86 115.64 116.57 1tui s THR 262 Ca 0.01 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.64 1tui s THR 262 Cb 0.01 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1tui s THR 262 CO -0.10 0.32 -0.01 -0.60 -0.69 0.00 0.00 174.62 173.54 1tui s ARG 263 N 0.25 2.60 -0.04 4.92 3.52 -0.96 -4.93 118.95 124.30 1tui s ARG 263 Ca 0.39 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 1tui s ARG 263 Cb -0.20 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 1tui s ARG 263 CO 0.22 0.57 -0.03 0.21 -0.81 0.00 0.00 175.30 175.45 1tui s LYS 264 N -1.97 2.78 0.02 5.12 2.20 -1.26 0.18 119.74 126.81 1tui s LYS 264 Ca 0.23 -0.56 -0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1tui s LYS 264 Cb -0.12 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 1tui s LYS 264 CO 0.14 0.65 0.03 0.25 -0.36 0.00 0.00 175.35 176.06 1tui n THR 265 N 1.89 0.00 -4.54 3.43 -2.24 -0.19 -4.97 114.28 107.65 1tui n THR 265 Ca -0.17 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 1tui n THR 265 Cb 0.53 0.06 -0.16 0.00 -2.10 0.00 0.00 70.33 68.65 1tui n THR 265 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1tui s VAL 266 N -2.46 1.05 0.14 2.28 1.01 -1.26 -0.73 120.40 120.44 1tui s VAL 266 Ca 0.01 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 1tui s VAL 266 Cb -0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.33 1tui s VAL 266 CO 0.01 0.33 1.40 -0.69 0.00 0.00 0.00 175.10 176.15 1tui s VAL 267 N 0.57 3.18 -0.50 2.92 1.01 0.19 -1.94 120.40 125.84 1tui s VAL 267 Ca -0.12 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.79 1tui s VAL 267 Cb -0.14 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 32.81 1tui s VAL 267 CO 0.03 0.08 1.04 0.35 0.00 0.00 0.00 175.10 176.60 1tui n THR 268 N 3.63 0.81 0.00 3.92 -2.24 0.31 -0.47 114.28 120.24 1tui n THR 268 Ca 0.11 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1tui n THR 268 Cb 0.42 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1tui n THR 268 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tui n GLY 269 N 0.06 0.55 2.05 3.38 0.00 -1.24 -4.85 105.19 105.14 1tui n GLY 269 Ca 0.05 0.65 -0.12 0.00 0.00 0.00 0.00 46.02 46.60 1tui n GLY 269 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tui n VAL 270 N 0.00 0.00 0.00 1.61 0.31 -1.26 0.80 118.33 119.79 1tui n VAL 270 Ca 0.00 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 1tui n VAL 270 Cb 0.00 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1tui n VAL 270 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1tui n GLU 271 N -1.99 0.00 -3.55 5.55 2.13 -1.21 -4.55 120.64 117.04 1tui n GLU 271 Ca 0.09 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.75 1tui n GLU 271 Cb 0.31 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.96 1tui n GLU 271 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1tui s MET 272 N -1.32 0.94 -1.52 5.31 1.75 -0.51 -2.98 119.30 120.97 1tui s MET 272 Ca 0.00 0.34 -0.14 0.00 -1.25 0.00 0.00 55.69 54.64 1tui s MET 272 Cb 0.00 0.45 0.10 0.00 2.84 0.00 0.00 34.83 38.21 1tui s MET 272 CO 0.00 -0.27 0.82 0.72 -0.65 0.00 0.00 175.02 175.64 1tui n HIS 273 N 1.12 -2.06 0.00 4.11 8.25 -1.26 -2.64 115.22 122.75 1tui n HIS 273 Ca -0.17 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1tui n HIS 273 Cb 0.57 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 28.13 1tui n HIS 273 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1tui n ARG 274 N -4.39 0.00 -0.59 -0.41 1.74 -1.26 -4.90 116.66 106.85 1tui n ARG 274 Ca 0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 1tui n ARG 274 Cb 0.52 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.17 1tui n ARG 274 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1tui n LYS 275 N 0.00 -1.56 0.00 5.56 0.00 -1.08 -5.02 118.16 116.06 1tui n LYS 275 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.90 1tui n LYS 275 Cb 0.00 -2.12 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 1tui n LYS 275 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1tui n THR 276 N -4.55 0.00 0.00 0.58 -1.04 -1.26 -1.42 114.28 106.58 1tui n THR 276 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1tui n THR 276 Cb 0.55 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1tui n THR 276 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1tui n LEU 277 N 0.00 0.00 0.07 -4.42 7.94 -1.26 -3.78 117.00 115.55 1tui n LEU 277 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 1tui n LEU 277 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1tui n LEU 277 CO 0.00 0.00 0.10 1.56 -1.11 0.00 0.00 177.39 177.94 1tui h GLN 278 N 0.00 0.49 -4.10 1.96 7.50 -1.95 -3.41 115.11 115.60 1tui h GLN 278 Ca 0.00 -0.57 -0.29 0.00 0.50 0.00 0.00 58.65 58.29 1tui h GLN 278 Cb 0.00 0.17 -0.28 0.00 0.05 0.00 0.00 27.48 27.42 1tui h GLN 278 CO 0.00 1.21 -0.74 -2.00 -1.50 0.00 0.00 178.83 175.80 1tui s GLU 279 N -3.17 0.27 -0.24 1.46 2.12 -1.26 -3.81 118.70 114.07 1tui s GLU 279 Ca -0.07 -0.14 -0.11 0.00 0.36 0.00 0.00 54.97 55.01 1tui s GLU 279 Cb 0.08 -0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.16 1tui s GLU 279 CO 0.89 0.07 0.18 0.20 -0.54 0.00 0.00 175.26 176.06 1tui s GLY 280 N -0.12 2.00 0.05 -1.50 0.00 1.36 -4.90 107.32 104.20 1tui s GLY 280 Ca 0.01 -0.85 0.07 0.00 0.00 0.00 0.00 44.72 43.95 1tui s GLY 280 CO -0.00 0.43 -0.20 -0.42 0.00 0.00 0.00 173.10 172.91 1tui s ILE 281 N 1.08 1.64 -0.19 0.90 1.01 -1.26 0.20 121.20 124.59 1tui s ILE 281 Ca 0.09 -1.23 -0.32 0.00 0.00 0.00 0.00 60.65 59.19 1tui s ILE 281 Cb -0.14 -1.44 -0.15 0.00 0.01 0.00 0.00 42.46 40.75 1tui s ILE 281 CO 0.05 0.16 0.98 0.00 0.00 0.00 0.00 174.94 176.12 1tui n ALA 282 N 1.75 -1.87 0.00 9.38 0.00 0.12 0.21 120.51 130.11 1tui n ALA 282 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1tui n ALA 282 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1tui n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tui n GLY 283 N 2.02 2.69 3.72 0.00 0.00 -0.04 -4.95 105.19 108.64 1tui n GLY 283 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1tui n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tui s ASP 284 N -0.39 7.31 -0.71 1.61 1.01 0.13 -4.68 116.67 120.96 1tui s ASP 284 Ca 0.00 1.87 -0.19 0.00 0.71 0.00 0.00 52.55 54.94 1tui s ASP 284 Cb 0.00 -2.58 0.12 0.00 1.01 0.00 0.00 42.92 41.47 1tui s ASP 284 CO 0.00 -0.25 0.84 0.20 0.21 0.00 0.00 175.17 176.17 1tui s ASN 285 N 0.52 6.36 0.00 0.27 0.01 -1.26 -0.04 114.94 120.80 1tui s ASN 285 Ca 0.52 -1.70 0.00 0.00 -0.71 0.00 0.00 52.86 50.97 1tui s ASN 285 Cb -0.25 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1tui s ASN 285 CO 0.30 -1.07 0.00 1.33 -1.51 0.00 0.00 177.10 176.15 1tui n VAL 286 N 5.36 0.00 -3.67 1.60 0.24 -1.01 -4.78 118.33 116.07 1tui n VAL 286 Ca 0.02 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.23 1tui n VAL 286 Cb 0.45 -0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 32.10 1tui n VAL 286 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tui s GLY 287 N -0.62 -0.40 0.16 7.63 0.00 -1.16 -2.25 107.32 110.68 1tui s GLY 287 Ca 0.00 1.64 0.07 0.00 0.00 0.00 0.00 44.72 46.43 1tui s GLY 287 CO 0.00 2.23 -0.00 1.08 0.00 0.00 0.00 173.10 176.41 1tui s LEU 288 N 2.19 3.34 -0.37 0.66 1.43 0.03 -3.28 118.68 122.67 1tui s LEU 288 Ca -0.05 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 1tui s LEU 288 Cb -0.10 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1tui s LEU 288 CO -0.14 0.11 0.30 -0.76 0.23 0.00 0.00 176.35 176.09 1tui s LEU 289 N -2.80 4.77 -0.10 1.79 1.02 0.24 -1.77 118.68 121.83 1tui s LEU 289 Ca 0.27 -0.61 -0.18 0.00 0.02 0.00 0.00 54.13 53.63 1tui s LEU 289 Cb -0.10 -2.19 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 1tui s LEU 289 CO 0.18 -0.36 0.48 -0.76 0.02 0.00 0.00 176.35 175.91 1tui s LEU 290 N 1.78 4.31 -0.40 1.79 1.43 0.37 0.11 118.68 128.07 1tui s LEU 290 Ca 0.07 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 53.83 1tui s LEU 290 Cb -0.18 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.36 1tui s LEU 290 CO 0.11 0.05 0.55 -0.60 0.23 0.00 0.00 176.35 176.68 1tui s ARG 291 N 0.38 3.38 0.00 1.70 3.52 -0.82 -4.20 118.95 122.92 1tui s ARG 291 Ca 0.26 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1tui s ARG 291 Cb -0.15 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 1tui s ARG 291 CO 0.11 -0.83 0.00 0.41 -0.81 0.00 0.00 175.30 174.18 1tui n GLY 292 N 4.95 0.95 2.97 8.12 0.00 -1.26 -4.21 105.19 116.69 1tui n GLY 292 Ca -0.04 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1tui n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tui s VAL 293 N -2.79 1.23 0.89 1.61 1.01 -1.26 -5.08 120.40 116.01 1tui s VAL 293 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1tui s VAL 293 Cb 0.00 -1.19 0.13 0.00 0.00 0.00 0.00 36.38 35.32 1tui s VAL 293 CO 0.00 0.40 1.15 -0.94 0.00 0.00 0.00 175.10 175.71 1tui s SER 294 N 1.43 3.12 0.00 3.32 1.04 -1.26 -4.49 113.70 116.86 1tui s SER 294 Ca 0.01 2.20 0.17 0.00 0.48 0.00 0.00 55.95 58.80 1tui s SER 294 Cb -0.13 -2.57 0.87 0.00 0.10 0.00 0.00 66.02 64.29 1tui s SER 294 CO -0.06 -2.97 1.46 -1.14 0.98 0.00 0.00 173.24 171.51 1tui n ARG 295 N -4.04 0.30 -0.13 4.02 0.63 -1.26 -2.05 116.66 114.13 1tui n ARG 295 Ca 0.12 0.10 -0.25 0.00 -0.92 0.00 0.00 57.85 56.90 1tui n ARG 295 Cb 0.52 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.82 1tui n ARG 295 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1tui n GLU 296 N -1.22 0.61 0.08 -0.14 4.71 -1.26 -4.35 120.64 119.06 1tui n GLU 296 Ca 0.09 0.24 0.04 0.00 -0.01 0.00 0.00 57.16 57.52 1tui n GLU 296 Cb 0.11 -1.52 0.22 0.00 -1.01 0.00 0.00 31.44 29.24 1tui n GLU 296 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1tui n GLU 297 N -3.91 0.05 -4.22 3.49 1.02 -0.87 -4.49 120.64 111.72 1tui n GLU 297 Ca -0.50 0.49 -0.20 0.00 -0.02 0.00 0.00 57.16 56.93 1tui n GLU 297 Cb 0.92 -1.81 -0.16 0.00 -0.02 0.00 0.00 31.44 30.37 1tui n GLU 297 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tui s VAL 298 N -3.08 0.57 0.07 2.62 1.01 -1.21 -4.95 120.40 115.44 1tui s VAL 298 Ca -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1tui s VAL 298 Cb 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1tui s VAL 298 CO 0.07 0.22 0.18 -1.83 0.00 0.00 0.00 175.10 173.74 1tui s GLU 299 N 0.66 0.79 0.26 2.72 -1.05 -1.26 -4.89 118.70 115.94 1tui s GLU 299 Ca -0.09 -0.90 -0.29 0.00 -0.15 0.00 0.00 54.97 53.54 1tui s GLU 299 Cb -0.12 0.32 -0.14 0.00 -0.44 0.00 0.00 34.13 33.74 1tui s GLU 299 CO 0.00 -0.24 1.07 -2.13 0.95 0.00 0.00 175.26 174.92 1tui n ARG 300 N 0.13 1.38 0.00 -4.83 0.63 -1.26 -1.47 116.66 111.24 1tui n ARG 300 Ca -0.16 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1tui n ARG 300 Cb 0.61 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.62 1tui n ARG 300 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tui n GLY 301 N 1.43 3.14 3.57 5.14 0.00 -0.76 -4.95 105.19 112.75 1tui n GLY 301 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1tui n GLY 301 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tui n GLN 302 N -0.66 -1.31 -4.08 1.61 6.02 -0.54 -4.83 117.38 113.60 1tui n GLN 302 Ca 0.00 -1.90 -0.10 0.00 -0.01 0.00 0.00 57.00 54.99 1tui n GLN 302 Cb 0.00 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 29.87 1tui n GLN 302 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1tui s VAL 303 N -3.66 0.40 -0.08 5.09 -7.23 0.78 -1.44 120.40 114.27 1tui s VAL 303 Ca 0.70 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1tui s VAL 303 Cb -0.02 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 1tui s VAL 303 CO 0.49 -0.67 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.80 1tui s LEU 304 N -2.22 3.29 0.26 1.32 1.43 0.62 0.73 118.68 124.11 1tui s LEU 304 Ca -0.02 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 1tui s LEU 304 Cb -0.02 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1tui s LEU 304 CO -0.04 0.35 0.65 0.00 0.23 0.00 0.00 176.35 177.55 1tui s ALA 305 N -0.75 -1.03 0.24 4.21 0.00 0.95 0.34 121.76 125.73 1tui s ALA 305 Ca 0.11 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 1tui s ALA 305 Cb -0.11 0.89 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 1tui s ALA 305 CO 0.02 -0.97 1.61 1.17 0.00 0.00 0.00 175.76 177.58 1tui n LYS 306 N -0.43 2.56 -1.65 0.00 4.81 0.26 -0.92 118.16 122.79 1tui n LYS 306 Ca -0.05 0.91 -0.47 0.00 -0.87 0.00 0.00 58.31 57.84 1tui n LYS 306 Cb 0.60 -2.70 -0.04 0.00 0.02 0.00 0.00 35.03 32.92 1tui n LYS 306 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1tui n PRO 307 N 2.85 1.83 -1.06 1.64 -0.02 -1.26 -0.56 135.00 138.42 1tui n PRO 307 Ca 0.12 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.24 1tui n PRO 307 Cb 0.34 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1tui n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tui n GLY 308 N 2.64 0.49 0.15 -1.23 0.00 -1.26 -4.91 105.19 101.07 1tui n GLY 308 Ca 0.15 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.03 1tui n GLY 308 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tui h SER 309 N 0.00 0.00 -4.61 1.61 4.64 -1.16 -3.46 113.55 110.57 1tui h SER 309 Ca -0.04 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1tui h SER 309 Cb 0.39 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.27 1tui h SER 309 CO 0.06 0.37 -0.08 -0.51 -0.87 0.00 0.00 176.83 175.80 1tui s ILE 310 N -3.04 0.02 0.17 0.95 2.07 -1.26 -5.06 121.20 115.05 1tui s ILE 310 Ca 0.03 -0.16 0.10 0.00 -1.41 0.00 0.00 60.65 59.21 1tui s ILE 310 Cb 0.07 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 1tui s ILE 310 CO 0.74 -0.09 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.60 1tui s THR 311 N -0.71 2.63 0.27 4.00 2.01 -1.26 -5.01 115.64 117.57 1tui s THR 311 Ca -0.08 -1.80 -0.10 0.00 0.31 0.00 0.00 61.69 60.02 1tui s THR 311 Cb -0.03 -2.25 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 1tui s THR 311 CO 0.05 -0.04 0.60 -2.16 -0.69 0.00 0.00 174.62 172.38 1tui s PRO 312 N -2.52 3.81 0.35 4.92 0.04 -1.26 -2.06 135.00 138.28 1tui s PRO 312 Ca 0.20 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.40 1tui s PRO 312 Cb -0.09 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.91 1tui s PRO 312 CO 0.11 0.24 0.75 -1.01 0.04 0.00 0.00 177.00 177.13 1tui s HIS 313 N -1.93 0.08 0.00 0.56 3.76 -0.19 -4.85 115.29 112.71 1tui s HIS 313 Ca 0.48 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1tui s HIS 313 Cb -0.11 0.74 0.00 0.00 1.11 0.00 0.00 32.58 34.32 1tui s HIS 313 CO 0.23 -1.44 0.00 0.25 -0.85 0.00 0.00 174.74 172.93 1tui n THR 314 N -0.51 0.00 -4.35 1.30 -2.24 -1.26 -0.16 114.28 107.06 1tui n THR 314 Ca -0.06 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1tui n THR 314 Cb 0.60 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1tui n THR 314 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tui s LYS 315 N -0.37 3.67 0.18 -0.78 1.02 -1.26 0.45 119.74 122.65 1tui s LYS 315 Ca 0.00 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.30 1tui s LYS 315 Cb 0.00 -2.94 0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1tui s LYS 315 CO 0.00 0.21 0.50 -0.59 -0.92 0.00 0.00 175.35 174.55 1tui s PHE 316 N 0.44 -0.15 0.11 3.18 -0.71 -1.00 -1.84 117.98 118.00 1tui s PHE 316 Ca -0.03 -0.18 0.05 0.00 -1.04 0.00 0.00 56.93 55.72 1tui s PHE 316 Cb -0.14 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 1tui s PHE 316 CO 0.03 -0.87 0.04 -2.00 -1.34 0.00 0.00 175.22 171.08 1tui s GLU 317 N -3.85 2.67 -0.05 1.99 2.12 0.12 -1.15 118.70 120.56 1tui s GLU 317 Ca 0.08 -0.84 -0.18 0.00 0.36 0.00 0.00 54.97 54.39 1tui s GLU 317 Cb -0.00 -2.59 0.04 0.00 0.26 0.00 0.00 34.13 31.84 1tui s GLU 317 CO -0.05 0.53 0.41 0.00 -0.54 0.00 0.00 175.26 175.60 1tui s ALA 318 N -1.45 -1.04 -0.20 6.30 0.00 -0.47 0.76 121.76 125.66 1tui s ALA 318 Ca 0.28 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 1tui s ALA 318 Cb -0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1tui s ALA 318 CO 0.20 -0.27 0.13 0.45 0.00 0.00 0.00 175.76 176.27 1tui s SER 319 N -1.04 6.21 0.10 0.00 0.15 -0.91 -1.77 113.70 116.44 1tui s SER 319 Ca -0.11 0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.79 1tui s SER 319 Cb -0.04 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1tui s SER 319 CO 0.05 0.18 -0.05 -0.69 1.20 0.00 0.00 173.24 173.93 1tui s VAL 320 N 0.35 0.61 -0.07 4.45 1.01 0.38 -1.59 120.40 125.54 1tui s VAL 320 Ca 0.08 -1.92 0.01 0.00 0.00 0.00 0.00 61.98 60.15 1tui s VAL 320 Cb -0.11 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1tui s VAL 320 CO -0.02 -0.86 -0.08 -0.47 0.00 0.00 0.00 175.10 173.67 1tui s TYR 321 N -3.68 1.22 -0.22 5.22 5.04 -0.34 -0.38 117.35 124.21 1tui s TYR 321 Ca 0.12 -0.46 -0.09 0.00 -2.44 0.00 0.00 57.07 54.21 1tui s TYR 321 Cb 0.06 -0.97 -0.04 0.00 0.35 0.00 0.00 41.96 41.36 1tui s TYR 321 CO -0.05 -0.30 0.10 0.42 -1.34 0.00 0.00 175.55 174.39 1tui s ILE 322 N 1.00 4.88 0.56 3.14 -1.09 0.35 -1.16 121.20 128.87 1tui s ILE 322 Ca -0.09 0.01 -0.20 0.00 -2.23 0.00 0.00 60.65 58.14 1tui s ILE 322 Cb -0.15 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1tui s ILE 322 CO -0.00 0.38 1.12 0.18 -1.23 0.00 0.00 174.94 175.39 1tui n LEU 323 N 4.23 4.26 -4.89 2.97 7.99 -0.22 0.19 117.00 131.53 1tui n LEU 323 Ca -0.16 0.90 -0.29 0.00 -0.01 0.00 0.00 56.01 56.45 1tui n LEU 323 Cb 0.52 -1.45 0.07 0.00 -0.11 0.00 0.00 43.42 42.45 1tui n LEU 323 CO 0.34 -1.34 0.76 -0.54 -1.51 0.00 0.00 177.39 175.11 1tui s LYS 324 N -2.72 2.35 0.02 3.23 1.02 -1.26 -2.51 119.74 119.86 1tui s LYS 324 Ca 0.73 0.24 -0.23 0.00 0.02 0.00 0.00 55.97 56.72 1tui s LYS 324 Cb -0.44 -1.99 -0.17 0.00 -0.52 0.00 0.00 37.83 34.72 1tui s LYS 324 CO 0.49 -1.35 1.41 -0.22 -0.92 0.00 0.00 175.35 174.76 1tui h LYS 325 N -0.87 0.11 -0.29 1.68 3.64 -1.79 0.17 116.57 119.23 1tui h LYS 325 Ca -0.46 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1tui h LYS 325 Cb 1.30 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1tui h LYS 325 CO 0.65 0.44 0.54 1.49 -2.27 0.00 0.00 179.45 180.30 1tui h GLU 326 N -0.22 0.00 -0.66 1.90 4.81 -1.91 1.45 114.58 119.95 1tui h GLU 326 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1tui h GLU 326 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1tui h GLU 326 CO 0.01 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.68 1tui n GLU 327 N -3.24 3.04 -0.64 1.92 1.02 -0.27 -4.89 120.64 117.58 1tui n GLU 327 Ca 0.05 -2.52 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 1tui n GLU 327 Cb 0.67 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1tui n GLU 327 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tui n GLY 328 N 1.33 0.61 0.00 0.62 0.00 0.49 -4.83 105.19 103.41 1tui n GLY 328 Ca 0.23 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1tui n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tui n GLY 329 N -2.64 1.42 3.38 -0.02 0.00 0.45 -4.83 105.19 102.94 1tui n GLY 329 Ca 0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1tui n GLY 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tui n ARG 330 N -0.18 -2.86 0.00 1.61 1.74 -1.26 -4.54 116.66 111.17 1tui n ARG 330 Ca 0.00 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 1tui n ARG 330 Cb 0.00 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 1tui n ARG 330 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1tui n HIS 331 N -5.08 0.00 -3.79 -1.55 1.44 -1.26 -3.56 115.22 101.42 1tui n HIS 331 Ca 0.04 -0.13 -0.10 0.00 -2.01 0.00 0.00 57.72 55.52 1tui n HIS 331 Cb 0.56 -0.01 -0.06 0.00 0.12 0.00 0.00 29.99 30.60 1tui n HIS 331 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1tui s THR 332 N -0.25 0.10 0.00 0.61 -4.23 -1.26 -5.03 115.64 105.57 1tui s THR 332 Ca 0.00 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1tui s THR 332 Cb 0.00 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1tui s THR 332 CO 0.00 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1tui n GLY 333 N -0.17 -0.72 3.57 3.99 0.00 -1.26 -4.67 105.19 105.95 1tui n GLY 333 Ca -0.14 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 1tui n GLY 333 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tui s PHE 334 N -0.46 -0.24 0.37 1.61 -0.12 -0.36 -4.92 117.98 113.85 1tui s PHE 334 Ca 0.00 -0.10 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 1tui s PHE 334 Cb 0.00 0.51 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1tui s PHE 334 CO 0.00 -0.97 0.06 1.19 -0.05 0.00 0.00 175.22 175.45 1tui n PHE 335 N -0.38 0.48 -2.06 3.49 3.01 -1.26 0.12 117.46 120.86 1tui n PHE 335 Ca -0.10 -1.76 -0.40 0.00 1.01 0.00 0.00 57.45 56.20 1tui n PHE 335 Cb 0.62 -0.26 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 1tui n PHE 335 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1tui s THR 336 N -2.23 2.62 0.00 4.37 2.01 -1.26 -1.40 115.64 119.75 1tui s THR 336 Ca 0.05 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1tui s THR 336 Cb -0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1tui s THR 336 CO 0.03 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1tui n GLY 337 N 0.69 0.63 3.70 4.40 0.00 0.27 -4.98 105.19 109.90 1tui n GLY 337 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1tui n GLY 337 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1tui n TYR 338 N -1.32 2.38 -3.20 1.61 9.36 -0.49 -4.65 117.16 120.84 1tui n TYR 338 Ca 0.00 0.44 -0.23 0.00 3.32 0.00 0.00 57.90 61.43 1tui n TYR 338 Cb 0.00 -2.47 -0.06 0.00 -0.63 0.00 0.00 39.34 36.17 1tui n TYR 338 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1tui n ARG 339 N 1.45 0.87 0.00 2.98 0.63 -1.26 0.46 116.66 121.80 1tui n ARG 339 Ca 0.08 -3.33 0.00 0.00 -0.92 0.00 0.00 57.85 53.68 1tui n ARG 339 Cb 0.34 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.89 1tui n ARG 339 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1tui n PRO 340 N 1.16 1.56 -4.57 -0.14 -0.04 -1.14 -4.58 135.00 127.26 1tui n PRO 340 Ca 0.22 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.35 1tui n PRO 340 Cb 0.55 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.86 1tui n PRO 340 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1tui s GLN 341 N 0.06 3.30 -0.32 0.54 -1.52 -0.70 -2.34 119.66 118.67 1tui s GLN 341 Ca 0.00 -0.71 -0.10 0.00 -1.95 0.00 0.00 55.36 52.59 1tui s GLN 341 Cb 0.00 -2.66 -0.00 0.00 -0.22 0.00 0.00 33.01 30.13 1tui s GLN 341 CO 0.00 0.07 0.17 -0.06 -0.25 0.00 0.00 175.29 175.22 1tui s PHE 342 N 0.69 3.19 -0.58 0.91 0.40 0.12 -0.74 117.98 121.98 1tui s PHE 342 Ca -0.07 -0.58 -0.19 0.00 -0.60 0.00 0.00 56.93 55.49 1tui s PHE 342 Cb -0.15 -2.38 0.10 0.00 0.51 0.00 0.00 43.02 41.10 1tui s PHE 342 CO 0.02 -0.47 0.68 -0.47 0.70 0.00 0.00 175.22 175.68 1tui s TYR 343 N 1.62 3.02 -0.46 0.36 5.04 0.64 0.12 117.35 127.68 1tui s TYR 343 Ca 0.04 -0.96 -0.17 0.00 -2.44 0.00 0.00 57.07 53.55 1tui s TYR 343 Cb -0.17 -3.96 0.05 0.00 0.35 0.00 0.00 41.96 38.23 1tui s TYR 343 CO 0.07 -1.26 0.44 -0.06 -1.34 0.00 0.00 175.55 173.40 1tui s PHE 344 N 2.60 3.19 0.00 4.97 0.08 -0.47 -2.39 117.98 125.95 1tui s PHE 344 Ca 0.11 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.45 1tui s PHE 344 Cb -0.24 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 1tui s PHE 344 CO 0.06 -0.81 0.00 0.54 -0.10 0.00 0.00 175.22 174.91 1tui n ARG 345 N 5.48 0.00 -0.00 0.44 1.74 -1.26 -2.57 116.66 120.48 1tui n ARG 345 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1tui n ARG 345 Cb 0.45 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1tui n ARG 345 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1tui n THR 346 N 0.00 0.01 -4.16 0.55 -2.24 -1.26 -5.08 114.28 102.10 1tui n THR 346 Ca 0.00 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1tui n THR 346 Cb 0.00 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 1tui n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1tui s THR 347 N -2.04 0.52 0.28 4.28 -4.23 -1.06 -4.87 115.64 108.52 1tui s THR 347 Ca -0.00 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 1tui s THR 347 Cb 0.00 -1.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.01 1tui s THR 347 CO 0.03 -0.81 1.05 -1.81 -0.54 0.00 0.00 174.62 172.54 1tui s ASP 348 N -3.03 7.32 -0.05 3.99 1.01 -1.26 -1.37 116.67 123.28 1tui s ASP 348 Ca 0.14 2.15 -0.02 0.00 0.71 0.00 0.00 52.55 55.53 1tui s ASP 348 Cb 0.06 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.41 1tui s ASP 348 CO -0.04 -0.09 0.05 -0.69 0.21 0.00 0.00 175.17 174.61 1tui s VAL 349 N -1.23 -0.02 0.72 -1.27 1.01 0.33 -4.87 120.40 115.08 1tui s VAL 349 Ca 0.45 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 1tui s VAL 349 Cb -0.29 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1tui s VAL 349 CO 0.37 0.17 1.25 -0.89 0.00 0.00 0.00 175.10 176.00 1tui s THR 350 N 2.13 2.07 -0.02 3.92 2.01 -1.26 0.15 115.64 124.65 1tui s THR 350 Ca 0.05 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1tui s THR 350 Cb -0.12 -2.74 0.08 0.00 0.01 0.00 0.00 72.50 69.73 1tui s THR 350 CO -0.04 -0.02 0.74 -0.83 -0.69 0.00 0.00 174.62 173.78 1tui s GLY 351 N -1.78 -0.52 -0.15 4.40 0.00 -0.99 -1.52 107.32 106.77 1tui s GLY 351 Ca 0.78 1.25 -0.06 0.00 0.00 0.00 0.00 44.72 46.69 1tui s GLY 351 CO 0.45 0.75 0.05 0.14 0.00 0.00 0.00 173.10 174.49 1tui s VAL 352 N -1.87 4.73 0.22 1.40 1.01 -0.79 -2.86 120.40 122.24 1tui s VAL 352 Ca -0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1tui s VAL 352 Cb -0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 1tui s VAL 352 CO 0.02 0.53 0.49 -0.69 0.00 0.00 0.00 175.10 175.44 1tui s VAL 353 N -0.18 5.05 -0.15 2.92 1.01 0.17 -1.89 120.40 127.33 1tui s VAL 353 Ca 0.07 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1tui s VAL 353 Cb -0.12 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1tui s VAL 353 CO 0.01 -0.12 0.01 -0.60 0.00 0.00 0.00 175.10 174.40 1tui s ARG 354 N -3.02 0.80 0.40 2.72 3.52 0.23 -0.57 118.95 123.03 1tui s ARG 354 Ca 0.44 -0.26 -0.25 0.00 -0.13 0.00 0.00 55.73 55.52 1tui s ARG 354 Cb -0.11 -1.71 -0.08 0.00 -1.56 0.00 0.00 34.95 31.48 1tui s ARG 354 CO 0.25 -0.48 1.18 -0.51 -0.81 0.00 0.00 175.30 174.93 1tui s LEU 355 N 1.85 4.18 0.72 -0.88 1.43 -1.26 -2.53 118.68 122.19 1tui s LEU 355 Ca 0.01 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.37 1tui s LEU 355 Cb -0.15 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.06 1tui s LEU 355 CO -0.07 -0.71 1.07 -2.16 0.23 0.00 0.00 176.35 174.71 1tui s PRO 356 N -2.32 2.72 0.24 1.29 0.04 -1.26 -4.91 135.00 130.80 1tui s PRO 356 Ca 0.58 0.92 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 1tui s PRO 356 Cb -0.31 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.14 1tui s PRO 356 CO 0.39 -1.24 1.57 1.04 0.04 0.00 0.00 177.00 178.79 1tui n GLN 357 N -3.22 2.44 0.00 4.56 3.00 -1.26 0.14 117.38 123.04 1tui n GLN 357 Ca 0.08 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 1tui n GLN 357 Cb 0.54 -2.63 0.00 0.00 0.00 0.00 0.00 30.24 28.15 1tui n GLN 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tui n GLY 358 N 2.75 2.08 3.63 1.08 0.00 -1.26 -5.03 105.19 108.44 1tui n GLY 358 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1tui n GLY 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tui s VAL 359 N -2.28 4.42 0.00 1.61 1.01 0.12 -4.96 120.40 120.32 1tui s VAL 359 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1tui s VAL 359 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1tui s VAL 359 CO 0.00 0.53 0.00 -0.62 0.00 0.00 0.00 175.10 175.01 1tui n GLU 360 N 2.96 2.83 -3.74 2.72 1.02 -1.26 -4.51 120.64 120.66 1tui n GLU 360 Ca -0.18 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.84 1tui n GLU 360 Cb 0.53 -0.88 -0.11 0.00 -0.02 0.00 0.00 31.44 30.96 1tui n GLU 360 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1tui s MET 361 N -1.72 0.34 0.04 3.49 0.00 -1.26 -4.47 119.30 115.71 1tui s MET 361 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 55.69 56.22 1tui s MET 361 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 34.83 34.86 1tui s MET 361 CO 0.00 -0.10 0.20 0.08 0.00 0.00 0.00 175.02 175.21 1tui s VAL 362 N 0.69 5.40 0.14 10.11 1.01 0.32 -4.85 120.40 133.22 1tui s VAL 362 Ca -0.04 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1tui s VAL 362 Cb -0.05 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1tui s VAL 362 CO -0.05 0.20 -0.15 -0.04 0.00 0.00 0.00 175.10 175.07 1tui s MET 363 N -2.32 1.11 0.13 2.72 -1.94 -1.26 -1.23 119.30 116.51 1tui s MET 363 Ca 0.32 -1.32 -0.35 0.00 -1.71 0.00 0.00 55.69 52.63 1tui s MET 363 Cb -0.13 -1.01 -0.15 0.00 2.01 0.00 0.00 34.83 35.55 1tui s MET 363 CO 0.25 0.19 1.46 -2.30 -0.01 0.00 0.00 175.02 174.61 1tui n PRO 364 N 0.35 1.67 0.00 2.03 -0.02 -1.26 0.37 135.00 138.13 1tui n PRO 364 Ca -0.14 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1tui n PRO 364 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1tui n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tui n GLY 365 N 2.97 2.64 3.71 -1.23 0.00 0.51 -4.75 105.19 109.03 1tui n GLY 365 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1tui n GLY 365 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tui s ASP 366 N -1.37 3.48 -0.08 1.61 1.11 0.16 -4.69 116.67 116.89 1tui s ASP 366 Ca 0.00 1.59 -0.04 0.00 0.18 0.00 0.00 52.55 54.28 1tui s ASP 366 Cb 0.00 -2.26 0.04 0.00 1.07 0.00 0.00 42.92 41.77 1tui s ASP 366 CO 0.00 -2.65 0.18 0.54 1.18 0.00 0.00 175.17 174.42 1tui s ASN 367 N -3.32 -0.17 0.00 0.27 4.22 -1.26 -0.50 114.94 114.18 1tui s ASN 367 Ca 0.63 0.38 0.00 0.00 -2.14 0.00 0.00 52.86 51.73 1tui s ASN 367 Cb -0.18 0.28 0.00 0.00 1.28 0.00 0.00 41.25 42.62 1tui s ASN 367 CO 0.57 -0.14 0.00 1.33 -2.04 0.00 0.00 177.10 176.82 1tui n VAL 368 N 4.07 0.00 -3.73 3.54 0.24 0.49 -4.95 118.33 118.00 1tui n VAL 368 Ca -0.24 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1tui n VAL 368 Cb 0.53 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.76 1tui n VAL 368 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1tui s THR 369 N -2.60 -0.09 0.11 3.34 2.01 -1.26 0.14 115.64 117.29 1tui s THR 369 Ca 0.00 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1tui s THR 369 Cb 0.00 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.20 1tui s THR 369 CO 0.00 0.08 0.17 2.22 -0.69 0.00 0.00 174.62 176.40 1tui n PHE 370 N 4.39 -0.95 -4.29 4.92 1.16 -0.73 -4.51 117.46 117.45 1tui n PHE 370 Ca -0.23 -0.64 -0.23 0.00 -1.87 0.00 0.00 57.45 54.48 1tui n PHE 370 Cb 0.52 0.20 -0.07 0.00 -1.61 0.00 0.00 39.48 38.51 1tui n PHE 370 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1tui s THR 371 N -2.61 3.49 0.16 1.97 -4.23 -1.05 -1.37 115.64 112.00 1tui s THR 371 Ca 0.07 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1tui s THR 371 Cb -0.01 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 1tui s THR 371 CO 0.05 -0.37 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.04 1tui s VAL 372 N -2.32 0.81 -0.19 2.29 1.01 -0.30 -0.61 120.40 121.11 1tui s VAL 372 Ca 0.31 -1.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.25 1tui s VAL 372 Cb -0.06 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.40 1tui s VAL 372 CO 0.20 -0.59 0.34 -0.70 0.00 0.00 0.00 175.10 174.35 1tui s GLU 373 N -3.86 0.26 0.45 2.72 2.12 -0.79 -2.39 118.70 117.21 1tui s GLU 373 Ca 0.21 0.74 -0.13 0.00 0.36 0.00 0.00 54.97 56.15 1tui s GLU 373 Cb 0.05 -0.13 -0.07 0.00 0.26 0.00 0.00 34.13 34.25 1tui s GLU 373 CO 0.02 -0.39 0.86 -0.51 -0.54 0.00 0.00 175.26 174.70 1tui s LEU 374 N 2.50 3.73 0.08 2.70 1.43 0.17 -1.88 118.68 127.41 1tui s LEU 374 Ca 0.03 1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 54.26 1tui s LEU 374 Cb -0.13 -4.21 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 1tui s LEU 374 CO -0.12 -0.49 1.43 0.40 0.23 0.00 0.00 176.35 177.80 1tui h ILE 375 N 0.97 1.31 -2.12 -0.59 5.03 -1.60 -3.45 117.51 117.06 1tui h ILE 375 Ca -0.47 -1.28 -0.59 0.00 -0.12 0.00 0.00 64.86 62.40 1tui h ILE 375 Cb 1.19 1.59 -0.14 0.00 -3.03 0.00 0.00 36.82 36.43 1tui h ILE 375 CO 0.63 0.40 -0.70 -1.59 -0.68 0.00 0.00 178.15 176.21 1tui s LYS 376 N -4.50 1.74 0.77 2.37 -2.85 -1.26 -5.11 119.74 110.89 1tui s LYS 376 Ca -0.13 -1.87 -0.11 0.00 -1.00 0.00 0.00 55.97 52.85 1tui s LYS 376 Cb 0.08 -1.62 0.05 0.00 -2.06 0.00 0.00 37.83 34.28 1tui s LYS 376 CO 0.79 0.16 1.08 -2.14 0.10 0.00 0.00 175.35 175.34 1tui s PRO 377 N -3.61 2.35 0.03 1.78 0.02 -1.25 -4.74 135.00 129.57 1tui s PRO 377 Ca 0.31 0.83 -0.15 0.00 0.02 0.00 0.00 61.00 62.01 1tui s PRO 377 Cb 0.01 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.62 1tui s PRO 377 CO 0.15 -1.48 0.34 0.08 -0.33 0.00 0.00 177.00 175.76 1tui s VAL 378 N -3.07 0.07 -0.58 3.83 1.01 0.77 0.09 120.40 122.52 1tui s VAL 378 Ca 0.60 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 1tui s VAL 378 Cb -0.15 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1tui s VAL 378 CO 0.55 -0.32 1.45 0.00 0.00 0.00 0.00 175.10 176.78 1tui s ALA 379 N -2.26 2.75 0.16 5.51 0.00 -1.26 -1.03 121.76 125.63 1tui s ALA 379 Ca -0.07 -0.71 0.11 0.00 0.00 0.00 0.00 51.96 51.29 1tui s ALA 379 Cb -0.02 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 1tui s ALA 379 CO -0.01 -3.04 -0.23 -0.51 0.00 0.00 0.00 175.76 171.97 1tui s LEU 380 N 6.32 2.49 0.02 0.00 1.43 -0.88 -4.99 118.68 123.08 1tui s LEU 380 Ca 0.53 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 1tui s LEU 380 Cb -0.11 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.85 1tui s LEU 380 CO 0.24 0.15 0.37 -1.61 0.23 0.00 0.00 176.35 175.73 1tui s GLU 381 N -2.38 0.83 0.30 1.70 2.02 -1.26 -4.37 118.70 115.55 1tui s GLU 381 Ca 0.18 -0.32 -0.29 0.00 0.02 0.00 0.00 54.97 54.56 1tui s GLU 381 Cb -0.09 0.37 -0.12 0.00 0.10 0.00 0.00 34.13 34.38 1tui s GLU 381 CO 0.09 -0.27 1.40 0.39 0.02 0.00 0.00 175.26 176.89 1tui n GLU 382 N 0.75 2.25 0.00 1.61 1.02 -1.26 -0.36 120.64 124.65 1tui n GLU 382 Ca -0.19 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1tui n GLU 382 Cb 0.59 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 1tui n GLU 382 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tui n GLY 383 N 1.42 3.14 3.67 0.62 0.00 0.14 -4.98 105.19 109.20 1tui n GLY 383 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.55 1tui n GLY 383 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tui n LEU 384 N 0.00 2.30 -4.95 0.99 7.94 0.51 -4.58 117.00 119.21 1tui n LEU 384 Ca 0.00 1.08 -0.23 0.00 -1.11 0.00 0.00 56.01 55.75 1tui n LEU 384 Cb 0.00 -1.20 -0.00 0.00 0.53 0.00 0.00 43.42 42.75 1tui n LEU 384 CO 0.00 -0.58 0.18 -0.60 -1.11 0.00 0.00 177.39 175.28 1tui s ARG 385 N 2.47 3.31 0.38 1.96 3.52 -1.26 0.86 118.95 130.18 1tui s ARG 385 Ca 0.92 -0.48 -0.16 0.00 -0.13 0.00 0.00 55.73 55.88 1tui s ARG 385 Cb -0.97 -2.66 0.06 0.00 -1.56 0.00 0.00 34.95 29.81 1tui s ARG 385 CO 0.57 0.02 0.81 -0.59 -0.81 0.00 0.00 175.30 175.29 1tui s PHE 386 N -2.36 0.12 0.11 5.12 -0.12 -0.76 -4.71 117.98 115.38 1tui s PHE 386 Ca 0.43 -0.78 0.07 0.00 -0.05 0.00 0.00 56.93 56.60 1tui s PHE 386 Cb -0.10 0.84 -0.04 0.00 -0.63 0.00 0.00 43.02 43.09 1tui s PHE 386 CO 0.36 -1.54 -0.18 0.00 -0.05 0.00 0.00 175.22 173.80 1tui s ALA 387 N -2.29 1.68 -0.24 1.99 0.00 -1.00 -1.92 121.76 119.98 1tui s ALA 387 Ca 0.16 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1tui s ALA 387 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1tui s ALA 387 CO 0.11 0.27 -0.02 0.42 0.00 0.00 0.00 175.76 176.54 1tui s ILE 388 N -1.45 3.43 0.17 0.00 1.01 0.12 -0.26 121.20 124.21 1tui s ILE 388 Ca 0.07 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.24 1tui s ILE 388 Cb -0.09 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1tui s ILE 388 CO 0.04 0.34 -0.23 -0.13 0.00 0.00 0.00 174.94 174.96 1tui s ARG 389 N 1.47 1.40 -0.18 2.79 0.52 0.08 0.16 118.95 125.20 1tui s ARG 389 Ca 0.05 -1.43 -0.03 0.00 -0.52 0.00 0.00 55.73 53.79 1tui s ARG 389 Cb -0.15 -1.70 0.06 0.00 0.52 0.00 0.00 34.95 33.68 1tui s ARG 389 CO -0.02 0.37 0.04 -1.21 0.02 0.00 0.00 175.30 174.50 1tui s GLU 390 N -2.51 0.52 -1.45 3.54 2.02 0.31 -1.73 118.70 119.40 1tui s GLU 390 Ca 0.17 -0.30 -0.09 0.00 0.02 0.00 0.00 54.97 54.77 1tui s GLU 390 Cb -0.08 -1.94 0.05 0.00 0.10 0.00 0.00 34.13 32.26 1tui s GLU 390 CO 0.08 -0.62 0.87 0.41 0.02 0.00 0.00 175.26 176.02 1tui n GLY 391 N 5.11 -0.42 2.45 -1.39 0.00 -1.26 -1.45 105.19 108.24 1tui n GLY 391 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1tui n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tui n GLY 392 N -1.67 2.94 3.78 -0.02 0.00 -1.26 -5.00 105.19 103.95 1tui n GLY 392 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1tui n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tui s ARG 393 N -0.19 4.61 -0.22 1.61 0.52 -0.53 -5.02 118.95 119.74 1tui s ARG 393 Ca 0.00 1.37 -0.17 0.00 -0.52 0.00 0.00 55.73 56.41 1tui s ARG 393 Cb 0.00 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1tui s ARG 393 CO 0.00 0.30 0.48 0.99 0.02 0.00 0.00 175.30 177.09 1tui s THR 394 N -1.54 5.13 -0.40 0.02 2.01 -1.26 -0.53 115.64 119.06 1tui s THR 394 Ca 0.49 0.85 0.10 0.00 0.31 0.00 0.00 61.69 63.44 1tui s THR 394 Cb -0.20 -3.80 -0.12 0.00 0.01 0.00 0.00 72.50 68.39 1tui s THR 394 CO 0.25 0.17 0.40 1.33 -0.69 0.00 0.00 174.62 176.09 1tui n VAL 395 N 4.67 0.00 -3.81 3.82 0.24 0.42 -4.65 118.33 119.03 1tui n VAL 395 Ca -0.06 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 61.94 1tui n VAL 395 Cb 0.50 0.88 -0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1tui n VAL 395 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tui s GLY 396 N -2.17 -0.07 -0.01 7.63 0.00 -0.60 -1.05 107.32 111.06 1tui s GLY 396 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1tui s GLY 396 CO 0.42 0.35 -0.03 0.00 0.00 0.00 0.00 173.10 173.84 1tui s ALA 397 N -3.10 0.30 0.27 3.20 0.00 -0.31 -0.71 121.76 121.41 1tui s ALA 397 Ca 0.14 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1tui s ALA 397 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1tui s ALA 397 CO 0.05 0.06 0.20 0.41 0.00 0.00 0.00 175.76 176.48 1tui n GLY 398 N 3.11 3.20 2.90 0.00 0.00 -0.81 -1.19 105.19 112.40 1tui n GLY 398 Ca -0.14 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 1tui n GLY 398 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tui s VAL 399 N -3.00 0.40 0.05 1.61 1.01 -0.62 -1.83 120.40 118.01 1tui s VAL 399 Ca 0.29 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1tui s VAL 399 Cb 0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.91 1tui s VAL 399 CO 0.20 0.17 1.45 -0.69 0.00 0.00 0.00 175.10 176.23 1tui s VAL 400 N 0.57 3.45 -0.03 2.92 1.01 0.25 -2.13 120.40 126.43 1tui s VAL 400 Ca -0.07 0.92 0.11 0.00 0.00 0.00 0.00 61.98 62.95 1tui s VAL 400 Cb -0.10 -3.59 -0.17 0.00 0.00 0.00 0.00 36.38 32.51 1tui s VAL 400 CO -0.00 0.02 0.22 0.35 0.00 0.00 0.00 175.10 175.68 1tui n THR 401 N 4.47 0.14 -3.52 3.92 -2.24 0.23 0.27 114.28 117.55 1tui n THR 401 Ca 0.13 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1tui n THR 401 Cb 0.43 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 1tui n THR 401 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1tui s LYS 402 N -2.71 0.91 -0.13 -0.78 2.20 -0.70 -4.90 119.74 113.63 1tui s LYS 402 Ca -0.04 0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1tui s LYS 402 Cb 0.07 0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 36.78 1tui s LYS 402 CO 0.48 -0.33 -0.02 0.42 -0.36 0.00 0.00 175.35 175.54 1tui s ILE 403 N -1.91 4.07 -0.15 5.43 -1.09 -1.26 0.16 121.20 126.46 1tui s ILE 403 Ca -0.03 -0.31 0.10 0.00 -2.23 0.00 0.00 60.65 58.17 1tui s ILE 403 Cb -0.00 -2.75 -0.15 0.00 -1.58 0.00 0.00 42.46 37.98 1tui s ILE 403 CO 0.01 0.54 0.28 0.18 -1.23 0.00 0.00 174.94 174.72 1tui n LEU 404 N 2.95 0.14 0.00 2.97 4.77 -0.77 -4.96 117.00 122.10 1tui n LEU 404 Ca -0.18 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1tui n LEU 404 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1tui n LEU 404 CO 0.31 0.03 0.00 -0.62 -1.33 0.00 0.00 177.39 175.78